smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN(CCC)c1ccc(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC000874048256 969366447 /nfs/dbraw/zinc/36/64/47/969366447.db2.gz OCWOZRJYFNYCHE-UHFFFAOYSA-N 1 0 347.503 2.952 20 10 EFCDRO CCCCC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000901727601 980468337 /nfs/dbraw/zinc/46/83/37/980468337.db2.gz UBPMDXXOZNWZKF-GOSISDBHSA-N 1 0 333.476 2.562 20 10 EFCDRO C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001593258238 994541291 /nfs/dbraw/zinc/54/12/91/994541291.db2.gz YLEFDEALVDRLCU-ZFWWWQNUSA-N 1 0 332.444 2.863 20 10 EFCDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000865716538 1126115805 /nfs/dbraw/zinc/11/58/05/1126115805.db2.gz VHWQNPGVRIGDQE-FQEVSTJZSA-N 1 0 328.456 2.845 20 10 EFCDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(C)cc2O)cc1OC ZINC000877831682 1126123409 /nfs/dbraw/zinc/12/34/09/1126123409.db2.gz WOYSRWQKXBNXMI-HXUWFJFHSA-N 1 0 345.439 2.801 20 10 EFCDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(F)ccc2O)cc1OC ZINC000877831605 1126123427 /nfs/dbraw/zinc/12/34/27/1126123427.db2.gz VKILLYWAHKTTRC-IBGZPJMESA-N 1 0 349.402 2.632 20 10 EFCDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000873190944 1126118519 /nfs/dbraw/zinc/11/85/19/1126118519.db2.gz GORZWDTYDOOKBV-HXUWFJFHSA-N 1 0 328.456 2.845 20 10 EFCDRO CC(C)(Cc1ccc(-c2nn[nH]n2)cc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001573904376 1087907294 /nfs/dbraw/zinc/90/72/94/1087907294.db2.gz QGKUVXKDZLMPGA-UHFFFAOYSA-N 1 0 349.438 2.913 20 10 EFCDRO CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1CC(C)(C)[NH3+] ZINC001575655080 1088613456 /nfs/dbraw/zinc/61/34/56/1088613456.db2.gz TZQYRMKXFGVQTA-UHFFFAOYSA-N 1 0 331.464 2.556 20 10 EFCDRO C[C@H](NC(=O)[C@H]1CCCCC[C@H]1[NH3+])c1ccc(N2CCOCC2)cc1 ZINC001576221811 1089023278 /nfs/dbraw/zinc/02/32/78/1089023278.db2.gz UDTNDWNYTJHYIJ-ZYSHUDEJSA-N 1 0 345.487 2.608 20 10 EFCDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC001576883415 1089504357 /nfs/dbraw/zinc/50/43/57/1089504357.db2.gz WBRRHZFTFHTTGE-BEFAXECRSA-N 1 0 341.455 2.872 20 10 EFCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC001577697671 1090133211 /nfs/dbraw/zinc/13/32/11/1090133211.db2.gz OPFPBKQSAFOPDO-NJAFHUGGSA-N 1 0 330.476 2.567 20 10 EFCDRO CCN(Cc1ccccc1)c1ccc(CNC[C@@]2(O)CC[NH2+]C2)cc1 ZINC001577738319 1090159936 /nfs/dbraw/zinc/15/99/36/1090159936.db2.gz RLHNLKDHRDHSIB-OAQYLSRUSA-N 1 0 339.483 2.527 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)/C=C\COc2ccccc2)cc1 ZINC001578424851 1090369171 /nfs/dbraw/zinc/36/91/71/1090369171.db2.gz ZCVDFLLXKRZSRY-WMHRWZGDSA-N 1 0 339.439 2.504 20 10 EFCDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)CC[C@@H]1COC(C)(C)[NH2+]1 ZINC001578489824 1090385353 /nfs/dbraw/zinc/38/53/53/1090385353.db2.gz OIKUTURYOTWKRJ-QGZVFWFLSA-N 1 0 345.487 2.750 20 10 EFCDRO Cc1cc(CC(=O)NOC[C@@H](C)[NH3+])c(C)n1-c1ccc(Cl)cc1 ZINC001579589575 1090637836 /nfs/dbraw/zinc/63/78/36/1090637836.db2.gz KEKNWEOPVKXOJP-LLVKDONJSA-N 1 0 335.835 2.685 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001579589177 1090637925 /nfs/dbraw/zinc/63/79/25/1090637925.db2.gz CQQJKRRVTXDBIV-IYARVYRRSA-N 1 0 339.439 2.906 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCC1(C[NH3+])CC1 ZINC001579590412 1090638683 /nfs/dbraw/zinc/63/86/83/1090638683.db2.gz ZIQSJOKPDSOWNS-UHFFFAOYSA-N 1 0 339.439 2.765 20 10 EFCDRO Cc1cc(CCNC(=O)[C@@H]2CC[NH2+][C@H]2C)c(C)n1-c1ccccc1 ZINC001579593000 1090638693 /nfs/dbraw/zinc/63/86/93/1090638693.db2.gz PYDFGEAIAOZOAP-HNAYVOBHSA-N 1 0 325.456 2.751 20 10 EFCDRO Cc1cc(CCNC(=O)[C@]23C[C@H]2CCC[NH2+]3)c(C)n1-c1ccccc1 ZINC001579593069 1090638825 /nfs/dbraw/zinc/63/88/25/1090638825.db2.gz ULZXZEHVMQCSIH-NQIIRXRSSA-N 1 0 337.467 2.895 20 10 EFCDRO Cc1cc(CCNC(=O)[C@H]2CCC[C@H]2[NH3+])c(C)n1-c1ccccc1 ZINC001579592566 1090638841 /nfs/dbraw/zinc/63/88/41/1090638841.db2.gz GGVCQPHVZPEYPZ-RBUKOAKNSA-N 1 0 325.456 2.880 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)ccc1C ZINC001579660125 1090655242 /nfs/dbraw/zinc/65/52/42/1090655242.db2.gz DBPIUBBJCYTSEQ-GOSISDBHSA-N 1 0 339.439 2.649 20 10 EFCDRO Cc1cc(CNC(=O)NC[C@H]2CC[NH2+]2)c(C)n1-c1cccc(C)c1 ZINC001579748287 1090677543 /nfs/dbraw/zinc/67/75/43/1090677543.db2.gz XNLAZNUBNXIHKM-QGZVFWFLSA-N 1 0 326.444 2.564 20 10 EFCDRO [NH3+][C@@H](C(=O)N1Cc2cccc(O)c2C1)c1cccc(Br)c1 ZINC001580110562 1090773379 /nfs/dbraw/zinc/77/33/79/1090773379.db2.gz VMJFYXWRBQWDHX-OAHLLOKOSA-N 1 0 347.212 2.697 20 10 EFCDRO [NH3+][C@H](CCNC(=O)NCc1cccc(Cl)c1O)Cc1ccccc1 ZINC001580126505 1090782259 /nfs/dbraw/zinc/78/22/59/1090782259.db2.gz CXDPUGOYHWJFEC-OAHLLOKOSA-N 1 0 347.846 2.805 20 10 EFCDRO [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)NCc1cc(Cl)ccc1O ZINC001580134096 1090785342 /nfs/dbraw/zinc/78/53/42/1090785342.db2.gz HWQPEYKQUAVDDT-OAHLLOKOSA-N 1 0 344.798 2.978 20 10 EFCDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C2)C1 ZINC001580201192 1090807571 /nfs/dbraw/zinc/80/75/71/1090807571.db2.gz XIMBYKUUDMBNEJ-NDGTYSDOSA-N 1 0 342.842 2.903 20 10 EFCDRO Cc1ncsc1/C=C\C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000588518452 1092820944 /nfs/dbraw/zinc/82/09/44/1092820944.db2.gz ZHXRWCLKKMRIEN-WHLNPGIBSA-N 1 0 327.453 2.984 20 10 EFCDRO CC(=O)Nc1cc2c(cc1N1C(C)(C)CC([NH3+])CC1(C)C)OCO2 ZINC001167624509 1093136393 /nfs/dbraw/zinc/13/63/93/1093136393.db2.gz JDYVARDPQVZOHV-UHFFFAOYSA-N 1 0 333.432 2.858 20 10 EFCDRO C[C@H]([NH2+][C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1ccc(N(C)C)cc1 ZINC001589956441 1093193564 /nfs/dbraw/zinc/19/35/64/1093193564.db2.gz OYIFTHORVTVLOL-UGSOOPFHSA-N 1 0 348.454 2.751 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(F)cc1-c1nn[nH]n1)c1ccc(N(C)C)cc1 ZINC001589970918 1093202909 /nfs/dbraw/zinc/20/29/09/1093202909.db2.gz SXBLMEQESUQMFZ-GFCCVEGCSA-N 1 0 340.406 2.923 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1O ZINC001591519926 1093747863 /nfs/dbraw/zinc/74/78/63/1093747863.db2.gz FOHUOSBYKMHLSC-GFCCVEGCSA-N 1 0 339.399 2.740 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1O ZINC001591633943 1093808674 /nfs/dbraw/zinc/80/86/74/1093808674.db2.gz URFGXAHNCVUDJG-NEPJUHHUSA-N 1 0 339.399 2.993 20 10 EFCDRO COc1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(Cl)c2)c1O ZINC001591639180 1093810107 /nfs/dbraw/zinc/81/01/07/1093810107.db2.gz FNPGEWOXNKFOOT-UHFFFAOYSA-N 1 0 345.790 2.524 20 10 EFCDRO Cc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)ccc1-c1nn[nH]n1 ZINC001591961875 1093935368 /nfs/dbraw/zinc/93/53/68/1093935368.db2.gz AUDBUQJZNVVKPK-UHFFFAOYSA-N 1 0 336.443 2.873 20 10 EFCDRO Cc1cc(O)c(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)cc1Cl ZINC001592056497 1093969403 /nfs/dbraw/zinc/96/94/03/1093969403.db2.gz PTHXNSDUURCSCX-UHFFFAOYSA-N 1 0 347.781 2.963 20 10 EFCDRO CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001087250713 1094353956 /nfs/dbraw/zinc/35/39/56/1094353956.db2.gz XNTPDWHWWCWYGM-DOMZBBRYSA-N 1 0 331.420 2.699 20 10 EFCDRO c1cc(-c2nn[nH]n2)cc2c1CC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC001593564216 1094370806 /nfs/dbraw/zinc/37/08/06/1094370806.db2.gz FVMMPZHGBPQEEL-QGZVFWFLSA-N 1 0 333.395 2.579 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC001167897614 1096224500 /nfs/dbraw/zinc/22/45/00/1096224500.db2.gz LGCCXYORKKJGBM-BCDXTJNWSA-N 1 0 329.488 2.595 20 10 EFCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC001604700236 1096934708 /nfs/dbraw/zinc/93/47/08/1096934708.db2.gz FEVIDSARSKQQPE-ARJAWSKDSA-N 1 0 340.456 2.797 20 10 EFCDRO Cc1cc(C[N@@H+]2Cc3cccc(-c4nn[nH]n4)c3C2)ccc1N(C)C ZINC001605656771 1097182415 /nfs/dbraw/zinc/18/24/15/1097182415.db2.gz POSSZDPSAOWNRG-UHFFFAOYSA-N 1 0 334.427 2.757 20 10 EFCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCc3cc(-c4nn[nH]n4)ccc31)CC2 ZINC001607112068 1097518157 /nfs/dbraw/zinc/51/81/57/1097518157.db2.gz SMNBHEFIUITYDD-HZPDHXFCSA-N 1 0 333.395 2.837 20 10 EFCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCc3cc(-c4nn[nH]n4)ccc31)CC2 ZINC001607112067 1097518952 /nfs/dbraw/zinc/51/89/52/1097518952.db2.gz SMNBHEFIUITYDD-HOTGVXAUSA-N 1 0 333.395 2.837 20 10 EFCDRO C[N@@H+]1CCCC2(CCN(C(=O)c3cc4cc(O)c(O)cc4[nH]3)CC2)C1 ZINC001269477320 1098169000 /nfs/dbraw/zinc/16/90/00/1098169000.db2.gz UODZEOARTPMXLT-UHFFFAOYSA-N 1 0 343.427 2.527 20 10 EFCDRO O=C(c1cccc(O)c1O)N1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001269607744 1098289561 /nfs/dbraw/zinc/28/95/61/1098289561.db2.gz IJGYSZHKMUNRJN-UHFFFAOYSA-N 1 0 330.428 2.578 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001270703483 1099467794 /nfs/dbraw/zinc/46/77/94/1099467794.db2.gz NCJFTVBMFQRUHO-IWDGFTLQSA-N 1 0 342.439 2.729 20 10 EFCDRO CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001105086160 1099627960 /nfs/dbraw/zinc/62/79/60/1099627960.db2.gz JQRQGGHBICDXDE-TZMCWYRMSA-N 1 0 331.420 2.557 20 10 EFCDRO Oc1cc(O)c(CCNc2cc[nH+]c(N3CCCCC3)c2)cc1O ZINC001168005456 1100108212 /nfs/dbraw/zinc/10/82/12/1100108212.db2.gz HPLDSZAPIANASJ-UHFFFAOYSA-N 1 0 329.400 2.843 20 10 EFCDRO Cc1ccc(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c(O)c1O ZINC000843781375 1100529688 /nfs/dbraw/zinc/52/96/88/1100529688.db2.gz UDRKOJOXBOXFHI-UHFFFAOYSA-N 1 0 328.412 2.740 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](OC(=O)N(C)C)C3)c2c1 ZINC000840107137 1100827466 /nfs/dbraw/zinc/82/74/66/1100827466.db2.gz WSPLFVAYPGZOOL-HNNXBMFYSA-N 1 0 344.411 2.827 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1ccc(N2CCOCC2)cc1Cl ZINC000783534648 1101082847 /nfs/dbraw/zinc/08/28/47/1101082847.db2.gz DYJPICNSWYIPJM-MELADBBJSA-N 1 0 326.868 2.987 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000840479043 1101090510 /nfs/dbraw/zinc/09/05/10/1101090510.db2.gz FGULYUATBBEEEG-INIZCTEOSA-N 1 0 346.519 2.728 20 10 EFCDRO CC(C)c1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC001167422912 1101574827 /nfs/dbraw/zinc/57/48/27/1101574827.db2.gz GULLCFFHZVIUBC-UHFFFAOYSA-N 1 0 325.460 2.964 20 10 EFCDRO Cc1cnc2ncc(NCc3ccc(N4CC[NH+](C)CC4)cc3)cc2n1 ZINC001167431014 1101611600 /nfs/dbraw/zinc/61/16/00/1101611600.db2.gz BIMMSPFCGCFJCW-UHFFFAOYSA-N 1 0 348.454 2.697 20 10 EFCDRO CC(C)n1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1=O ZINC001167434080 1101659587 /nfs/dbraw/zinc/65/95/87/1101659587.db2.gz ANTJAAGJNBPVKR-UHFFFAOYSA-N 1 0 340.471 2.793 20 10 EFCDRO Cc1nc2cncc(NCc3ccc(N4CC[NH+](C)CC4)cc3)c2o1 ZINC001167436941 1101712889 /nfs/dbraw/zinc/71/28/89/1101712889.db2.gz ICWSKSLUTVTMBB-UHFFFAOYSA-N 1 0 337.427 2.895 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3cccc4cnncc43)cc2)CC1 ZINC001167437633 1101724250 /nfs/dbraw/zinc/72/42/50/1101724250.db2.gz WMRCUBVKOURRDT-UHFFFAOYSA-N 1 0 333.439 2.994 20 10 EFCDRO CC[C@H]([NH2+][C@@H]1COC[C@@H]1OC)c1cc(Br)ccc1O ZINC000840826274 1101754918 /nfs/dbraw/zinc/75/49/18/1101754918.db2.gz JJOKFVUEQQMUDZ-SCRDCRAPSA-N 1 0 330.222 2.609 20 10 EFCDRO Oc1cccc(Br)c1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000707166046 1102232469 /nfs/dbraw/zinc/23/24/69/1102232469.db2.gz NLHKRSDWARTBIV-LBPRGKRZSA-N 1 0 325.250 2.825 20 10 EFCDRO COCC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001088242776 1102288801 /nfs/dbraw/zinc/28/88/01/1102288801.db2.gz GFUVSVDWHJHMIX-QGZVFWFLSA-N 1 0 334.460 2.511 20 10 EFCDRO CCc1ncc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cn1 ZINC000840884128 1102309434 /nfs/dbraw/zinc/30/94/34/1102309434.db2.gz JHAWKSJUCXGRSW-UHFFFAOYSA-N 1 0 340.471 2.538 20 10 EFCDRO COCCCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001266510255 1102398406 /nfs/dbraw/zinc/39/84/06/1102398406.db2.gz DAXYJUYSXZBGDD-KRWDZBQOSA-N 1 0 334.460 2.511 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000840915947 1102453969 /nfs/dbraw/zinc/45/39/69/1102453969.db2.gz UIFACSQPQVDJQA-HNNXBMFYSA-N 1 0 343.393 2.656 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCCCN(C(=O)[C@H](C)OC)C2)cc1C ZINC001088275306 1102582894 /nfs/dbraw/zinc/58/28/94/1102582894.db2.gz VPKGSPCHBXMBQF-WMZOPIPTSA-N 1 0 348.487 2.899 20 10 EFCDRO COc1ccc(N(Cc2ccccc2)C2(C[NH3+])COC2)c2cc[nH]c21 ZINC001167374562 1102916655 /nfs/dbraw/zinc/91/66/55/1102916655.db2.gz LKJZCLSGKZLQMN-UHFFFAOYSA-N 1 0 337.423 2.911 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2O)[C@H](N)c2ccccc2O)CCO1 ZINC001168094826 1103177618 /nfs/dbraw/zinc/17/76/18/1103177618.db2.gz ZQAWINFNWBXRBR-RYMBOPBQSA-N 1 0 342.439 2.996 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@@H](O)Cc2ccccc2)N(C)C)cc1 ZINC000905703705 1103513437 /nfs/dbraw/zinc/51/34/37/1103513437.db2.gz JGGKZSNSLKWFAB-LEWJYISDSA-N 1 0 341.499 2.549 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2)N(C)C)cc1 ZINC000905704283 1103513564 /nfs/dbraw/zinc/51/35/64/1103513564.db2.gz MTIWINVUFWCHBA-VQTJNVASSA-N 1 0 345.462 2.818 20 10 EFCDRO Cc1cccc([C@@H](O)C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000905706361 1103517748 /nfs/dbraw/zinc/51/77/48/1103517748.db2.gz UFDXJOYFBNBEIN-RTWAWAEBSA-N 1 0 341.499 2.987 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccn(C)c3)CC2)cc1C ZINC000991076570 1103549284 /nfs/dbraw/zinc/54/92/84/1103549284.db2.gz TWUGDXLYDRMHFL-UHFFFAOYSA-N 1 0 341.455 2.737 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCCCC[C@H]([NH2+]CCF)C2)cc1 ZINC001088431799 1103590482 /nfs/dbraw/zinc/59/04/82/1103590482.db2.gz GBRLQDKVGZQLHU-HNNXBMFYSA-N 1 0 349.410 2.793 20 10 EFCDRO CCc1nc(C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)c(C)o1 ZINC001168137895 1103800497 /nfs/dbraw/zinc/80/04/97/1103800497.db2.gz IPIRWHXLSXRLSI-UHFFFAOYSA-N 1 0 345.443 2.772 20 10 EFCDRO CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001105933400 1104338336 /nfs/dbraw/zinc/33/83/36/1104338336.db2.gz RKXXZCJOGBYZTB-SJLPKXTDSA-N 1 0 348.487 2.614 20 10 EFCDRO COc1ccc(N2CC[NH+](Cc3cccc4nn(C)cc43)CC2)cc1 ZINC001142445012 1104852458 /nfs/dbraw/zinc/85/24/58/1104852458.db2.gz JCAMCJJYMJIMHT-UHFFFAOYSA-N 1 0 336.439 2.904 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3ccn(C)c3)C2)cc1C ZINC000988618211 1104875351 /nfs/dbraw/zinc/87/53/51/1104875351.db2.gz DLCVNPNBSQHQFN-CRAIPNDOSA-N 1 0 341.455 2.735 20 10 EFCDRO CN(C)c1ccc([C@H](CNc2ncccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000897524675 1104920427 /nfs/dbraw/zinc/92/04/27/1104920427.db2.gz BVPPBLLBSYWSDQ-INIZCTEOSA-N 1 0 329.404 2.771 20 10 EFCDRO COCCc1nsc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000897524829 1104925523 /nfs/dbraw/zinc/92/55/23/1104925523.db2.gz FHZWIGKIQSBHQV-HNNXBMFYSA-N 1 0 349.504 2.508 20 10 EFCDRO CN(C)c1ccc([C@H](CNc2cn[nH]c(=O)c2Cl)[NH+](C)C)cc1 ZINC000897526081 1104962971 /nfs/dbraw/zinc/96/29/71/1104962971.db2.gz YCCYOVOQRLWDEX-AWEZNQCLSA-N 1 0 335.839 2.616 20 10 EFCDRO Cc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c(C)n1-c1ccccn1 ZINC000237428099 1105131976 /nfs/dbraw/zinc/13/19/76/1105131976.db2.gz BSFATTQBTZSIJN-DYVFJYSZSA-N 1 0 326.444 2.689 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3cc(F)c[nH]3)C2)cc1C ZINC000989204911 1105608546 /nfs/dbraw/zinc/60/85/46/1105608546.db2.gz BKMWKRDBUWZDQO-BBRMVZONSA-N 1 0 345.418 2.864 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](Cc3nc(C)no3)C2)c1O ZINC000897579195 1105776475 /nfs/dbraw/zinc/77/64/75/1105776475.db2.gz QWOSVRGDUSEMII-AWEZNQCLSA-N 1 0 331.416 2.937 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](Cc3nc(C)no3)C2)cc1OC ZINC000897579358 1105777484 /nfs/dbraw/zinc/77/74/84/1105777484.db2.gz UQIMNEUDJWGUKE-ZDUSSCGKSA-N 1 0 347.415 2.556 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000841946087 1106024028 /nfs/dbraw/zinc/02/40/28/1106024028.db2.gz FVEZWRGWWNVICB-GOSISDBHSA-N 1 0 330.476 2.556 20 10 EFCDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841946993 1106024645 /nfs/dbraw/zinc/02/46/45/1106024645.db2.gz DGXVODYLOGCNHH-RHSMWYFYSA-N 1 0 331.460 2.588 20 10 EFCDRO [NH3+]C[C@H](NC(=O)N(Cc1ccccc1O)C1CCCCC1)C1CC1 ZINC000841945716 1106026196 /nfs/dbraw/zinc/02/61/96/1106026196.db2.gz VALUJRSRGVWLBW-KRWDZBQOSA-N 1 0 331.460 2.974 20 10 EFCDRO CC[N@H+](CCC(=O)NC)Cc1ccc(OCc2ccccc2)cc1O ZINC000897710306 1106059710 /nfs/dbraw/zinc/05/97/10/1106059710.db2.gz QVKZATDBGSKUQR-UHFFFAOYSA-N 1 0 342.439 2.929 20 10 EFCDRO C[C@H](CC[NH3+])NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000841968061 1106067085 /nfs/dbraw/zinc/06/70/85/1106067085.db2.gz SMOOZGSPVMSSEH-OAHLLOKOSA-N 1 0 344.459 2.795 20 10 EFCDRO CN(C)c1ccc(CN(C(=O)NCC2(C)CC[NH2+]CC2)C2CC2)cc1 ZINC000841969276 1106068416 /nfs/dbraw/zinc/06/84/16/1106068416.db2.gz IUPJZVKMRMMSLT-UHFFFAOYSA-N 1 0 344.503 2.816 20 10 EFCDRO CN(C)c1ccc(CN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)C2CC2)cc1 ZINC000841970738 1106070158 /nfs/dbraw/zinc/07/01/58/1106070158.db2.gz PMZXNUZYUOOQPE-FQEVSTJZSA-N 1 0 344.503 2.816 20 10 EFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)C2)cc1 ZINC000898007870 1106178865 /nfs/dbraw/zinc/17/88/65/1106178865.db2.gz UMMMOLIUJMWZGG-YJBOKZPZSA-N 1 0 345.487 2.511 20 10 EFCDRO CCOc1ccc(O)c(C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)c1 ZINC000898142951 1106249223 /nfs/dbraw/zinc/24/92/23/1106249223.db2.gz VBSQKWNWSMGRHD-OXQOHEQNSA-N 1 0 327.424 2.826 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3nccs3)C2)cc1C ZINC000989602452 1106471927 /nfs/dbraw/zinc/47/19/27/1106471927.db2.gz UELDILYESCPKGK-ZFWWWQNUSA-N 1 0 345.468 2.853 20 10 EFCDRO CC(C)C[N@@H+]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000989760906 1106627563 /nfs/dbraw/zinc/62/75/63/1106627563.db2.gz IEUMTTCOEXYZJD-UHFFFAOYSA-N 1 0 331.420 2.653 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)cc1 ZINC000989761044 1106627779 /nfs/dbraw/zinc/62/77/79/1106627779.db2.gz PJVAYGVHAODZPM-UHFFFAOYSA-N 1 0 343.431 2.797 20 10 EFCDRO C[C@@H](F)CC[N@@H+]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000989767943 1106632831 /nfs/dbraw/zinc/63/28/31/1106632831.db2.gz QIXNDVHKOSMMQB-CYBMUJFWSA-N 1 0 349.410 2.745 20 10 EFCDRO CCCC[N@@H+]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000989767657 1106633329 /nfs/dbraw/zinc/63/33/29/1106633329.db2.gz AOUSUBWOUCNMFW-UHFFFAOYSA-N 1 0 331.420 2.797 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3cc(C)no3)CC2)cc1C ZINC000989937229 1106993707 /nfs/dbraw/zinc/99/37/07/1106993707.db2.gz KZAOEWJGQRKJSU-UHFFFAOYSA-N 1 0 343.427 2.694 20 10 EFCDRO CCO[C@H]1C[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000990048629 1107215962 /nfs/dbraw/zinc/21/59/62/1107215962.db2.gz CSYILZKYEQQHKB-MJGOQNOKSA-N 1 0 346.471 2.509 20 10 EFCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000904353031 1107838493 /nfs/dbraw/zinc/83/84/93/1107838493.db2.gz GNYPZTJTHBXRKV-IBGZPJMESA-N 1 0 325.456 2.867 20 10 EFCDRO CC(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(O)ccc1O ZINC001272385833 1108147536 /nfs/dbraw/zinc/14/75/36/1108147536.db2.gz FUCZOZPXRWETGN-IBGZPJMESA-N 1 0 332.444 2.711 20 10 EFCDRO CC(C)CN1CC[C@@]2(CCC[N@H+](Cc3cc(O)ccc3O)CC2)C1=O ZINC001272385880 1108148332 /nfs/dbraw/zinc/14/83/32/1108148332.db2.gz GUNAZEGDYNXHLX-FQEVSTJZSA-N 1 0 346.471 2.958 20 10 EFCDRO O=C1N(CC2CCCC2)CC[C@]12CCC[N@H+]2Cc1cc(O)ccc1O ZINC001272386202 1108148829 /nfs/dbraw/zinc/14/88/29/1108148829.db2.gz BXZZOLBJPBOAAZ-HXUWFJFHSA-N 1 0 344.455 2.855 20 10 EFCDRO CC(C)=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001272386305 1108148879 /nfs/dbraw/zinc/14/88/79/1108148879.db2.gz LZOKJBDKLLRKGL-KRWDZBQOSA-N 1 0 344.455 2.782 20 10 EFCDRO CCC[NH+]1CCC2(C[C@H]2C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC001272463207 1108403645 /nfs/dbraw/zinc/40/36/45/1108403645.db2.gz WYZHHFSTPNPJPL-SFHVURJKSA-N 1 0 329.488 2.881 20 10 EFCDRO O[C@@H](C[NH2+]CCCSc1nccs1)CC1(O)CCCCC1 ZINC000905108799 1108409272 /nfs/dbraw/zinc/40/92/72/1108409272.db2.gz BZZXICGGEQLPMJ-CYBMUJFWSA-N 1 0 330.519 2.661 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ocnc3C)CC2)cc1C ZINC000990700434 1108793765 /nfs/dbraw/zinc/79/37/65/1108793765.db2.gz BIBQKZXKWAAVHQ-UHFFFAOYSA-N 1 0 343.427 2.694 20 10 EFCDRO CC[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000924715728 1108840063 /nfs/dbraw/zinc/84/00/63/1108840063.db2.gz MNHBVVPVZHVONE-CXHZTBPHSA-N 1 0 336.451 2.954 20 10 EFCDRO CCOc1cncc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000898448123 1108941612 /nfs/dbraw/zinc/94/16/12/1108941612.db2.gz PREPJDPIUGPVKR-FQEVSTJZSA-N 1 0 342.487 2.939 20 10 EFCDRO CC(C)n1cncc1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898448147 1108941840 /nfs/dbraw/zinc/94/18/40/1108941840.db2.gz PYBCIMHDMMEZKL-LJQANCHMSA-N 1 0 329.492 2.923 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccnn2CC2CC2)N(C)C)cc1 ZINC000898448172 1108942200 /nfs/dbraw/zinc/94/22/00/1108942200.db2.gz QHKLRXLPLXRTET-FQEVSTJZSA-N 1 0 341.503 2.752 20 10 EFCDRO CN(C)c1ccc([C@H](CNCc2ncc(Cl)n2C)[NH+](C)C)cc1 ZINC000898449377 1108942631 /nfs/dbraw/zinc/94/26/31/1108942631.db2.gz CZHGVNDFNHNKGL-HNNXBMFYSA-N 1 0 335.883 2.532 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)nc1 ZINC000898448937 1108942651 /nfs/dbraw/zinc/94/26/51/1108942651.db2.gz ZIWOQVZGXCQHMB-IBGZPJMESA-N 1 0 328.460 2.549 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+][C@H](c2nccn2C)C2CC2)N(C)C)cc1 ZINC000898448726 1108942767 /nfs/dbraw/zinc/94/27/67/1108942767.db2.gz VQBKLNIRIDHKLB-OALUTQOASA-N 1 0 341.503 2.830 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H](c2nccn2C)C2CC2)N(C)C)cc1 ZINC000898448727 1108943332 /nfs/dbraw/zinc/94/33/32/1108943332.db2.gz VQBKLNIRIDHKLB-RBUKOAKNSA-N 1 0 341.503 2.830 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cnc(C3CC3)nc2)N(C)C)cc1 ZINC000898450893 1108943742 /nfs/dbraw/zinc/94/37/42/1108943742.db2.gz VAOYMMHDHVZWFA-IBGZPJMESA-N 1 0 339.487 2.813 20 10 EFCDRO COc1cccc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000898450076 1108943788 /nfs/dbraw/zinc/94/37/88/1108943788.db2.gz MUWAFWXOGSMNDY-GOSISDBHSA-N 1 0 328.460 2.549 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccc(O)c(F)c2)N(C)C)cc1 ZINC000898450718 1108944084 /nfs/dbraw/zinc/94/40/84/1108944084.db2.gz TWIVAQVHDZOTCP-SFHVURJKSA-N 1 0 331.435 2.990 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccc(O)c(F)c2)N(C)C)cc1 ZINC000898450715 1108944222 /nfs/dbraw/zinc/94/42/22/1108944222.db2.gz TWIVAQVHDZOTCP-GOSISDBHSA-N 1 0 331.435 2.990 20 10 EFCDRO C[C@H](O)c1ncc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000898449930 1108944232 /nfs/dbraw/zinc/94/42/32/1108944232.db2.gz LWHHWGPXIPCJJW-GUYCJALGSA-N 1 0 348.516 2.655 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cnc3ccccn23)N(C)C)cc1 ZINC000898450851 1108944458 /nfs/dbraw/zinc/94/44/58/1108944458.db2.gz FZYHXOIEUZYHBJ-LJQANCHMSA-N 1 0 337.471 2.793 20 10 EFCDRO CC(C)[N@H+](C)CC(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001142582792 1109021934 /nfs/dbraw/zinc/02/19/34/1109021934.db2.gz GJMGNSDQLPCOHK-OYVOPSJISA-N 1 0 326.404 2.946 20 10 EFCDRO C[C@@H]1C[C@@H](C)N(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899102766 1109203222 /nfs/dbraw/zinc/20/32/22/1109203222.db2.gz RMPKNBBORFVLPK-RKVPGOIHSA-N 1 0 332.492 2.795 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@H]3C[C@H]32)[NH+](C)C)cc1 ZINC000899099373 1109207781 /nfs/dbraw/zinc/20/77/81/1109207781.db2.gz ZXLQMMMXQXJLRD-JQHSSLGASA-N 1 0 330.476 2.549 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)C2CCCC2)[NH+](C)C)cc1 ZINC000899101047 1109208109 /nfs/dbraw/zinc/20/81/09/1109208109.db2.gz HHCNGYPBEMRRCK-SFHVURJKSA-N 1 0 332.492 2.939 20 10 EFCDRO CC(C)[C@H]1CCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100933 1109208509 /nfs/dbraw/zinc/20/85/09/1109208509.db2.gz DDCZUXIBGFUDCN-MSOLQXFVSA-N 1 0 332.492 2.795 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H]3Cc4ccccc4[C@H]3N)CC2)cc1 ZINC000902438377 1110120371 /nfs/dbraw/zinc/12/03/71/1110120371.db2.gz NGYVOVZNUFFVLJ-NHCUHLMSSA-N 1 0 337.467 2.878 20 10 EFCDRO [O-]c1c(Br)cc(F)cc1C[N@H+]1CCC[C@H](CCO)C1 ZINC001235303158 1111732170 /nfs/dbraw/zinc/73/21/70/1111732170.db2.gz LPAAPHDELUZUSW-SNVBAGLBSA-N 1 0 332.213 2.888 20 10 EFCDRO CCOCCN1CCC2(CC[NH+](Cc3cc(C)ccc3O)CC2)C1=O ZINC001272622573 1111759322 /nfs/dbraw/zinc/75/93/22/1111759322.db2.gz NYQLZHAUSJWIAE-UHFFFAOYSA-N 1 0 346.471 2.552 20 10 EFCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@]23CC(=O)N(CC(F)F)C3)c1 ZINC001272622740 1111760139 /nfs/dbraw/zinc/76/01/39/1111760139.db2.gz QKFOMLDTFHFMHG-GOSISDBHSA-N 1 0 338.398 2.923 20 10 EFCDRO CCCCN1C(=O)C[C@]2(CCC[N@H+](Cc3cc(C)ccc3O)C2)C1=O ZINC001272623016 1111761311 /nfs/dbraw/zinc/76/13/11/1111761311.db2.gz VCTLTELUYGFABS-FQEVSTJZSA-N 1 0 344.455 2.842 20 10 EFCDRO COCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C)ccc1O ZINC001272623099 1111761565 /nfs/dbraw/zinc/76/15/65/1111761565.db2.gz WTYFJFUDUOUQPC-HXUWFJFHSA-N 1 0 346.471 2.694 20 10 EFCDRO CC[C@H](C)N1CC[C@]2(CC[N@H+](Cc3ccc(OC)cc3O)C2)C1=O ZINC001272625288 1111764158 /nfs/dbraw/zinc/76/41/58/1111764158.db2.gz JWBROZOTCAYNKF-LIRRHRJNSA-N 1 0 332.444 2.624 20 10 EFCDRO COc1cc(O)c(CN2CC[NH2+][C@H](C(C)C)C2)cc1Br ZINC001235474897 1111782142 /nfs/dbraw/zinc/78/21/42/1111782142.db2.gz IQVGUYUIGMIICE-ZDUSSCGKSA-N 1 0 343.265 2.593 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2CCCC2)c1 ZINC001272636874 1111786519 /nfs/dbraw/zinc/78/65/19/1111786519.db2.gz HACKBSHMZWCQJR-QZTJIDSGSA-N 1 0 344.455 2.909 20 10 EFCDRO CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(OC)ccc2O)C1=O ZINC001272637378 1111787261 /nfs/dbraw/zinc/78/72/61/1111787261.db2.gz LOQUYRYKPPHMKM-LJQANCHMSA-N 1 0 332.444 2.768 20 10 EFCDRO CC[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(OC)ccc1O)CC2 ZINC001272639409 1111798901 /nfs/dbraw/zinc/79/89/01/1111798901.db2.gz YYKXDNZHFVGMFZ-YOEHRIQHSA-N 1 0 346.471 2.918 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@]23CCN(CC(C)C)C3=O)c1 ZINC001272639288 1111798924 /nfs/dbraw/zinc/79/89/24/1111798924.db2.gz YEDKNKWBNXOKGF-LJQANCHMSA-N 1 0 332.444 2.624 20 10 EFCDRO C[S@](=O)C1(C[NH2+]Cc2ccc(Br)cc2O)CCC1 ZINC000691396123 1111884589 /nfs/dbraw/zinc/88/45/89/1111884589.db2.gz QYAAUULSCJXHJC-SFHVURJKSA-N 1 0 332.263 2.546 20 10 EFCDRO CC[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(O)c(C)c2O)C1=O ZINC001272658100 1111934837 /nfs/dbraw/zinc/93/48/37/1111934837.db2.gz VMLMNZAZSRAHPO-DJJJIMSYSA-N 1 0 332.444 2.772 20 10 EFCDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)CC(C)(C)C1 ZINC001089430296 1112124208 /nfs/dbraw/zinc/12/42/08/1112124208.db2.gz KCVHNXRKYUSPRW-OAHLLOKOSA-N 1 0 349.475 2.729 20 10 EFCDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000237651385 1112619618 /nfs/dbraw/zinc/61/96/18/1112619618.db2.gz BLUAOYANJPBLGB-HXUWFJFHSA-N 1 0 344.430 2.794 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001236669602 1113087836 /nfs/dbraw/zinc/08/78/36/1113087836.db2.gz PDUQIZAMMNOHTF-BETUJISGSA-N 1 0 325.250 2.742 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(O)cc1Br ZINC001236749191 1117885165 /nfs/dbraw/zinc/88/51/65/1117885165.db2.gz ZWUWRDZSSXKYNY-OAHLLOKOSA-N 1 0 342.233 2.776 20 10 EFCDRO CCCC[NH+]1CCN(Cc2cc(O)c(Br)cc2O)CC1 ZINC001236776122 1117948815 /nfs/dbraw/zinc/94/88/15/1117948815.db2.gz TXIZSBZUDSPGNR-UHFFFAOYSA-N 1 0 343.265 2.778 20 10 EFCDRO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001272700112 1118430845 /nfs/dbraw/zinc/43/08/45/1118430845.db2.gz RUTTUCOQYCFUTC-MMOPVJDHSA-N 1 0 341.499 2.833 20 10 EFCDRO CCC[NH+]1CCN(Cc2c(O)cc(OC)cc2Br)CC1 ZINC001237073685 1118571864 /nfs/dbraw/zinc/57/18/64/1118571864.db2.gz VDKOKOUGZBJOGT-UHFFFAOYSA-N 1 0 343.265 2.691 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCc2ccc(F)cc2)c1 ZINC000182451413 1118608898 /nfs/dbraw/zinc/60/88/98/1118608898.db2.gz DMCNSKRWKCESOY-LBPRGKRZSA-N 1 0 332.375 2.507 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NCC2C[NH+](CC3CCCC3)C2)cc1 ZINC001032215665 1120295101 /nfs/dbraw/zinc/29/51/01/1120295101.db2.gz LITHPIRAUKWTNG-UHFFFAOYSA-N 1 0 343.431 2.701 20 10 EFCDRO C[C@H]1C[N@H+](CC2CC2)CC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945223767 1120682764 /nfs/dbraw/zinc/68/27/64/1120682764.db2.gz QEYOOODLQRKDOW-LRDDRELGSA-N 1 0 343.431 2.699 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000172651817 529781228 /nfs/dbraw/zinc/78/12/28/529781228.db2.gz HLNXNZSYBGMGHB-UHFFFAOYSA-N 1 0 344.503 2.913 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1F ZINC000176037229 529781947 /nfs/dbraw/zinc/78/19/47/529781947.db2.gz VUMNWMOZNPKNPQ-HUUCEWRRSA-N 1 0 336.455 2.564 20 10 EFCDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000159029114 530001344 /nfs/dbraw/zinc/00/13/44/530001344.db2.gz BROAKIXZGKUPJK-MRXNPFEDSA-N 1 0 326.444 2.561 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176011914 530003373 /nfs/dbraw/zinc/00/33/73/530003373.db2.gz VEOFQWUWXPBLPJ-UHFFFAOYSA-N 1 0 331.460 2.941 20 10 EFCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2ccccc2O)c1 ZINC000154158533 530036234 /nfs/dbraw/zinc/03/62/34/530036234.db2.gz RIIZTITVZZQTHJ-CHWSQXEVSA-N 1 0 334.441 2.712 20 10 EFCDRO CC[C@H]([NH2+]CC(=O)NC(C)C)c1cc(Br)ccc1O ZINC000036781612 213118113 /nfs/dbraw/zinc/11/81/13/213118113.db2.gz DRYPJBMWDWSVQL-LBPRGKRZSA-N 1 0 329.238 2.720 20 10 EFCDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000262717458 240364850 /nfs/dbraw/zinc/36/48/50/240364850.db2.gz DVIARLBOHNRVPT-XIKOKIGWSA-N 1 0 329.419 2.961 20 10 EFCDRO C[NH+](C)Cc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000115633650 238889672 /nfs/dbraw/zinc/88/96/72/238889672.db2.gz SABDFXYZIXOZJB-UHFFFAOYSA-N 1 0 329.400 2.524 20 10 EFCDRO C[C@H]([NH2+]CCCc1cnn(C)c1)c1ccc(N2CCOCC2)cc1 ZINC000158204586 239006146 /nfs/dbraw/zinc/00/61/46/239006146.db2.gz UXAACYKAUWVAEM-INIZCTEOSA-N 1 0 328.460 2.540 20 10 EFCDRO C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000163546311 239107616 /nfs/dbraw/zinc/10/76/16/239107616.db2.gz BEYXKFXRMRUOJS-HNNXBMFYSA-N 1 0 334.460 2.906 20 10 EFCDRO Cn1cncc1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174622480 239235664 /nfs/dbraw/zinc/23/56/64/239235664.db2.gz NLJZYQWLNCBFAJ-ZDUSSCGKSA-N 1 0 336.386 2.780 20 10 EFCDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000175861987 239289457 /nfs/dbraw/zinc/28/94/57/239289457.db2.gz FPJOOGMKEJISEL-MJGOQNOKSA-N 1 0 344.503 2.959 20 10 EFCDRO Cc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(O)c1O ZINC000177677667 239389687 /nfs/dbraw/zinc/38/96/87/239389687.db2.gz OVAYJKKNCAKXTL-INIZCTEOSA-N 1 0 346.471 2.990 20 10 EFCDRO O=C1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)CN1Cc1ccccc1 ZINC000179054443 239455146 /nfs/dbraw/zinc/45/51/46/239455146.db2.gz YKXSEPGWQYMNQR-SFHVURJKSA-N 1 0 336.435 2.760 20 10 EFCDRO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(N(C)C)cc3)C2=O)cc1 ZINC000191799216 240008487 /nfs/dbraw/zinc/00/84/87/240008487.db2.gz XCTZOYJCKNZGLO-HXUWFJFHSA-N 1 0 337.467 2.952 20 10 EFCDRO CC1(C)CCN(Cc2c(O)ccc3ccccc32)CCS1(=O)=O ZINC000193380052 240102426 /nfs/dbraw/zinc/10/24/26/240102426.db2.gz OBCRVFLHNFQQKF-UHFFFAOYSA-N 1 0 333.453 2.945 20 10 EFCDRO Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c(C)n1-c1ccccn1 ZINC000237758231 240245791 /nfs/dbraw/zinc/24/57/91/240245791.db2.gz SRDLDMOKHGJJEY-NVXWUHKLSA-N 1 0 326.444 2.736 20 10 EFCDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000236887096 240236234 /nfs/dbraw/zinc/23/62/34/240236234.db2.gz LCWVAUDLTXBLIT-YGRLFVJLSA-N 1 0 343.265 2.877 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000249842728 240303292 /nfs/dbraw/zinc/30/32/92/240303292.db2.gz YHBKWECEJVKZOM-QRQLOZEOSA-N 1 0 327.472 2.824 20 10 EFCDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(C)c(C)c3O)C2=O)n(C)n1 ZINC000273349486 240693099 /nfs/dbraw/zinc/69/30/99/240693099.db2.gz BLJIEXIHULRGBJ-GOEBONIOSA-N 1 0 342.443 2.507 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccc(N(C)C)cc1 ZINC000278398749 240809867 /nfs/dbraw/zinc/80/98/67/240809867.db2.gz GLBWBUURFIABCI-NVXWUHKLSA-N 1 0 327.476 2.806 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000279716397 240846167 /nfs/dbraw/zinc/84/61/67/240846167.db2.gz LPSVPZFMAQDEJI-CEXWTWQISA-N 1 0 328.456 2.570 20 10 EFCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]1C ZINC000279840906 240848749 /nfs/dbraw/zinc/84/87/49/240848749.db2.gz HPSNNTLSGZMICI-AYBZRNKSSA-N 1 0 346.471 2.591 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N(C)CCC[NH+]2CCCC2)cc1F ZINC000280904137 240897197 /nfs/dbraw/zinc/89/71/97/240897197.db2.gz BTPQOWFAIJLRIY-UHFFFAOYSA-N 1 0 336.455 2.519 20 10 EFCDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000288448698 241012463 /nfs/dbraw/zinc/01/24/63/241012463.db2.gz CWSDWPDYBPRINQ-SUMWQHHRSA-N 1 0 331.437 2.582 20 10 EFCDRO COc1cccc(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)c1O ZINC000288443563 241012483 /nfs/dbraw/zinc/01/24/83/241012483.db2.gz MDMMLDWZKBMRGG-AWEZNQCLSA-N 1 0 344.411 2.501 20 10 EFCDRO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2cc(F)ccc2O)cc1OC ZINC000290905536 241020604 /nfs/dbraw/zinc/02/06/04/241020604.db2.gz MNMXGPOHBYVMLF-LJQANCHMSA-N 1 0 349.402 2.632 20 10 EFCDRO COC[C@@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H](C)O1 ZINC000296035633 241071716 /nfs/dbraw/zinc/07/17/16/241071716.db2.gz PKXVTMATCQLTLJ-JXFKEZNVSA-N 1 0 348.487 2.538 20 10 EFCDRO COC[C@@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@@H](C)O1 ZINC000296035647 241072783 /nfs/dbraw/zinc/07/27/83/241072783.db2.gz PKXVTMATCQLTLJ-UZLBHIALSA-N 1 0 348.487 2.538 20 10 EFCDRO O=S(=O)(CC[NH2+][C@H]1CCc2cccc(O)c21)CCc1ccccc1 ZINC000296259037 241081818 /nfs/dbraw/zinc/08/18/18/241081818.db2.gz BQCYLNNMBBSUNV-KRWDZBQOSA-N 1 0 345.464 2.627 20 10 EFCDRO COCCOC1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CCOCC1 ZINC000296361789 241082371 /nfs/dbraw/zinc/08/23/71/241082371.db2.gz IUUZBPCAZPLUPV-INIZCTEOSA-N 1 0 337.460 2.872 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000296425281 241086712 /nfs/dbraw/zinc/08/67/12/241086712.db2.gz SUAXSBUKQDGKJX-UHFFFAOYSA-N 1 0 330.476 2.569 20 10 EFCDRO COCCOC1(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)CCOCC1 ZINC000296514188 241088358 /nfs/dbraw/zinc/08/83/58/241088358.db2.gz PPETZIGXGJDVNO-ZDUSSCGKSA-N 1 0 343.851 2.908 20 10 EFCDRO O=C(NCCC[NH2+][C@H]1CCc2cccc(O)c21)c1ccc(F)cc1 ZINC000296923388 241103066 /nfs/dbraw/zinc/10/30/66/241103066.db2.gz PTTKGGSCGJULMQ-INIZCTEOSA-N 1 0 328.387 2.928 20 10 EFCDRO O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296979702 241104831 /nfs/dbraw/zinc/10/48/31/241104831.db2.gz RWLDXPUVSNWJCN-OAHLLOKOSA-N 1 0 338.407 2.785 20 10 EFCDRO Cc1cc(C(=O)NCC2CC[NH2+]CC2)c(C)n1-c1ccc(F)cc1 ZINC000297125082 241112682 /nfs/dbraw/zinc/11/26/82/241112682.db2.gz GTMNWRYDLNUIKB-UHFFFAOYSA-N 1 0 329.419 2.963 20 10 EFCDRO COc1cc(Cl)cc(CN2CCC[C@H](OC(=O)N(C)C)C2)c1O ZINC000294702944 241049127 /nfs/dbraw/zinc/04/91/27/241049127.db2.gz DCCOADWGSLRPFV-ZDUSSCGKSA-N 1 0 342.823 2.717 20 10 EFCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@]1(O)CCOC1 ZINC000294695867 241049966 /nfs/dbraw/zinc/04/99/66/241049966.db2.gz ITSNWSHKMHDNAW-QUCCMNQESA-N 1 0 327.424 2.807 20 10 EFCDRO COCCO[C@@H]1CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295653163 241060680 /nfs/dbraw/zinc/06/06/80/241060680.db2.gz DGBVIQFBCCXZEJ-HXUWFJFHSA-N 1 0 348.487 2.539 20 10 EFCDRO O=S(=O)(CCC[NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000295839013 241063911 /nfs/dbraw/zinc/06/39/11/241063911.db2.gz FLBGSIMNRSRMQA-MRXNPFEDSA-N 1 0 331.437 2.833 20 10 EFCDRO O=S(=O)(CC[NH2+][C@@H]1CCc2cccc(O)c21)Cc1ccccc1 ZINC000295853483 241065382 /nfs/dbraw/zinc/06/53/82/241065382.db2.gz GEDLCPFZIUYTBR-MRXNPFEDSA-N 1 0 331.437 2.584 20 10 EFCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(c3ccncn3)CC2)c1O ZINC000298101962 241141354 /nfs/dbraw/zinc/14/13/54/241141354.db2.gz IYIIFDHHAWOTLP-UHFFFAOYSA-N 1 0 329.375 2.904 20 10 EFCDRO CCOC1(C)CC[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000298214675 241146601 /nfs/dbraw/zinc/14/66/01/241146601.db2.gz DYOUAPZCEQUKSD-UHFFFAOYSA-N 1 0 347.503 2.602 20 10 EFCDRO O=C(NCc1ccccc1O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000299467047 241178928 /nfs/dbraw/zinc/17/89/28/241178928.db2.gz BUYGKWQCVDAXLP-HNNXBMFYSA-N 1 0 329.400 2.622 20 10 EFCDRO O=C(NCc1ccccc1O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000299467049 241179560 /nfs/dbraw/zinc/17/95/60/241179560.db2.gz BUYGKWQCVDAXLP-OAHLLOKOSA-N 1 0 329.400 2.622 20 10 EFCDRO COc1ccnc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000301209675 241186969 /nfs/dbraw/zinc/18/69/69/241186969.db2.gz SYMXBAWRVMYEBA-AWEZNQCLSA-N 1 0 348.834 2.921 20 10 EFCDRO Cn1cc(C(=O)N2CCc3c2cccc3Cl)c([C@H]2CCC[NH2+]C2)n1 ZINC000333250367 241651176 /nfs/dbraw/zinc/65/11/76/241651176.db2.gz GQCQMSFZEXXFNX-LBPRGKRZSA-N 1 0 344.846 2.743 20 10 EFCDRO Cn1cc(C(=O)N2CCc3ccc(Cl)cc32)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333341503 241652422 /nfs/dbraw/zinc/65/24/22/241652422.db2.gz YDGBJINMQAFJOA-CYBMUJFWSA-N 1 0 344.846 2.743 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000350032100 241878126 /nfs/dbraw/zinc/87/81/26/241878126.db2.gz ITDXTTLPWIOKDO-SCLBCKFNSA-N 1 0 328.460 2.578 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1F ZINC000366284704 242349198 /nfs/dbraw/zinc/34/91/98/242349198.db2.gz ONSRZXWCMOJVCL-QGZVFWFLSA-N 1 0 332.423 2.560 20 10 EFCDRO COc1ccc(O)c(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c1 ZINC000364262904 242294235 /nfs/dbraw/zinc/29/42/35/242294235.db2.gz NFZUENAMYLGPJQ-OAHLLOKOSA-N 1 0 327.384 2.539 20 10 EFCDRO OCC1CCN(c2ccc(C[NH2+][C@H]3CCC34CCOCC4)cc2)CC1 ZINC000367066118 242373871 /nfs/dbraw/zinc/37/38/71/242373871.db2.gz LUZUEHWIQFHGDI-FQEVSTJZSA-N 1 0 344.499 2.944 20 10 EFCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3CCC34CCOCC4)cc2)CC1 ZINC000367066119 242373900 /nfs/dbraw/zinc/37/39/00/242373900.db2.gz LUZUEHWIQFHGDI-HXUWFJFHSA-N 1 0 344.499 2.944 20 10 EFCDRO O[C@H]1CCC[C@@H]1[NH+]1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000367460677 242383217 /nfs/dbraw/zinc/38/32/17/242383217.db2.gz GYXQNVWRQLGCKB-SFTDATJTSA-N 1 0 343.515 2.708 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000372975862 242460744 /nfs/dbraw/zinc/46/07/44/242460744.db2.gz NIVVGDFQUZVWEW-IRWQIABSSA-N 1 0 334.435 2.880 20 10 EFCDRO C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000186126909 296115124 /nfs/dbraw/zinc/11/51/24/296115124.db2.gz KERDXXXBYMGVTB-XWIAVFTESA-N 1 0 336.451 2.950 20 10 EFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)c1cccc(F)c1 ZINC000069518828 203013016 /nfs/dbraw/zinc/01/30/16/203013016.db2.gz MOQYVRCDXCRTDK-HXUWFJFHSA-N 1 0 344.430 2.828 20 10 EFCDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1O ZINC000069818242 203054211 /nfs/dbraw/zinc/05/42/11/203054211.db2.gz VIBWUTUKEXBWHO-LBPRGKRZSA-N 1 0 329.356 2.759 20 10 EFCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177427691 533139932 /nfs/dbraw/zinc/13/99/32/533139932.db2.gz QGYMOKIUJIVOCW-INIZCTEOSA-N 1 0 325.792 2.633 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H](C[NH3+])C3CC3)c2C)cc1 ZINC000159220887 533209905 /nfs/dbraw/zinc/20/99/05/533209905.db2.gz MYNQSKXDIZTZSO-GOSISDBHSA-N 1 0 327.428 2.570 20 10 EFCDRO COc1cc(O)c(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1OC ZINC000160275381 286238964 /nfs/dbraw/zinc/23/89/64/286238964.db2.gz YUGHXCAPLSEQLW-MRXNPFEDSA-N 1 0 334.460 2.860 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185393007 287048664 /nfs/dbraw/zinc/04/86/64/287048664.db2.gz ROIRXGGENSJVOH-NWDGAFQWSA-N 1 0 346.302 2.986 20 10 EFCDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)CN1CCOCC1)c1ccccc1O ZINC000183508437 287054596 /nfs/dbraw/zinc/05/45/96/287054596.db2.gz RDQHBKJVJZNTIY-MJGOQNOKSA-N 1 0 340.467 2.986 20 10 EFCDRO COCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccco1 ZINC000278508596 274040103 /nfs/dbraw/zinc/04/01/03/274040103.db2.gz PJRKSXLHRCGDHO-LBPRGKRZSA-N 1 0 336.344 2.769 20 10 EFCDRO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000295874250 275520128 /nfs/dbraw/zinc/52/01/28/275520128.db2.gz GMUYNKMOGPIAHV-HUUCEWRRSA-N 1 0 348.443 2.605 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@H]1CCOC1 ZINC000268900203 277624113 /nfs/dbraw/zinc/62/41/13/277624113.db2.gz WHWABCVBEJEFBH-DLTWYDFYSA-N 1 0 336.451 2.954 20 10 EFCDRO C[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)[N@H+](C)C1CC1 ZINC000171632898 278202634 /nfs/dbraw/zinc/20/26/34/278202634.db2.gz TZSRKCYINPKYSY-OAHLLOKOSA-N 1 0 330.476 2.569 20 10 EFCDRO CC(C)N1C[C@H]([NH2+][C@H](C)c2cc(Br)ccc2O)CC1=O ZINC000273461832 279556413 /nfs/dbraw/zinc/55/64/13/279556413.db2.gz IHLNBIPGOWWKLJ-ZYHUDNBSSA-N 1 0 341.249 2.815 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)c1 ZINC000273419892 280920832 /nfs/dbraw/zinc/92/08/32/280920832.db2.gz JFAXURAOVWNUGO-XHDPSFHLSA-N 1 0 343.349 2.535 20 10 EFCDRO Cc1ccc([C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)N2CCOCC2)o1 ZINC000295914913 280987935 /nfs/dbraw/zinc/98/79/35/280987935.db2.gz JKSCPJCYXVLLLZ-SJORKVTESA-N 1 0 342.439 2.944 20 10 EFCDRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000273452800 298464168 /nfs/dbraw/zinc/46/41/68/298464168.db2.gz GIXZVYPZNVCSNL-AUSHCKSDSA-N 1 0 334.279 2.962 20 10 EFCDRO COc1cccc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c1O ZINC000111405947 473210482 /nfs/dbraw/zinc/21/04/82/473210482.db2.gz DHQRPPJZADXURN-UHFFFAOYSA-N 1 0 340.423 2.813 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+]CC2(N3CCCCC3)CCOCC2)c1 ZINC000111403390 473211046 /nfs/dbraw/zinc/21/10/46/473211046.db2.gz YTBFOQRUXSLFHA-UHFFFAOYSA-N 1 0 348.487 2.916 20 10 EFCDRO Cc1ncc(/C=C/C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)s1 ZINC000112246859 473250509 /nfs/dbraw/zinc/25/05/09/473250509.db2.gz XKRYOHXVZMPILO-XVJNWHFHSA-N 1 0 327.453 2.984 20 10 EFCDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000184947305 473280997 /nfs/dbraw/zinc/28/09/97/473280997.db2.gz CVPXRAHHKZZQOJ-DIFFPNOSSA-N 1 0 335.375 2.933 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)c1 ZINC000184953960 473283318 /nfs/dbraw/zinc/28/33/18/473283318.db2.gz OTRIZRULNZLFAI-AWEZNQCLSA-N 1 0 338.411 2.891 20 10 EFCDRO CC(C)NC(=O)CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000184981165 473289894 /nfs/dbraw/zinc/28/98/94/473289894.db2.gz LDOYILJBDBAXHH-SNVBAGLBSA-N 1 0 329.238 2.720 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCNC(=O)c2ccc(C)c(F)c2)c1 ZINC000184981779 473290838 /nfs/dbraw/zinc/29/08/38/473290838.db2.gz GCUCDKJIMYIMAW-ZDUSSCGKSA-N 1 0 346.402 2.929 20 10 EFCDRO C[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1cc(F)ccc1O ZINC000184986623 473293606 /nfs/dbraw/zinc/29/36/06/473293606.db2.gz SEOVDFYHTFURLM-ZDUSSCGKSA-N 1 0 331.391 2.614 20 10 EFCDRO C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185028984 473305645 /nfs/dbraw/zinc/30/56/45/473305645.db2.gz ORYMOXZWQBGUNB-RYUDHWBXSA-N 1 0 343.265 2.526 20 10 EFCDRO C[C@](O)(C[NH2+]Cc1cc2c(cc1O)OCO2)c1cccc(Cl)c1 ZINC000185111423 473331545 /nfs/dbraw/zinc/33/15/45/473331545.db2.gz MQXWJAFTTNDIOH-KRWDZBQOSA-N 1 0 335.787 2.772 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c(O)c1 ZINC000185141121 473340426 /nfs/dbraw/zinc/34/04/26/473340426.db2.gz DCYREARORHVXGU-YJBOKZPZSA-N 1 0 336.501 2.559 20 10 EFCDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc2ccccc2c1O ZINC000185179401 473352340 /nfs/dbraw/zinc/35/23/40/473352340.db2.gz ZMSCPFGYAXXYDY-JTQLQIEISA-N 1 0 326.318 2.875 20 10 EFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000185195302 473357756 /nfs/dbraw/zinc/35/77/56/473357756.db2.gz RLIOJHYMZMRGBV-HNNXBMFYSA-N 1 0 348.468 2.638 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c1 ZINC000185263236 473380795 /nfs/dbraw/zinc/38/07/95/473380795.db2.gz SDPXGZTXBAUXBG-ZDUSSCGKSA-N 1 0 349.452 2.796 20 10 EFCDRO Cc1n[nH]cc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000113359193 473387273 /nfs/dbraw/zinc/38/72/73/473387273.db2.gz LZBULGRLASZMDU-INIZCTEOSA-N 1 0 334.851 2.831 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)c1 ZINC000185303697 473389501 /nfs/dbraw/zinc/38/95/01/473389501.db2.gz QUIIRDKHBGXVEZ-CYBMUJFWSA-N 1 0 344.411 2.577 20 10 EFCDRO C[C@@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1cc(F)ccc1O ZINC000185304030 473390129 /nfs/dbraw/zinc/39/01/29/473390129.db2.gz MOKBNUMAHNJDBI-GFCCVEGCSA-N 1 0 332.375 2.708 20 10 EFCDRO Oc1cc2c(cc1C[NH+]1CCN(c3ccc(F)cc3)CC1)OCO2 ZINC000003349789 471443784 /nfs/dbraw/zinc/44/37/84/471443784.db2.gz NWDYFPRHGYHJQM-UHFFFAOYSA-N 1 0 330.359 2.582 20 10 EFCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCCN1CCOCC1 ZINC000011963921 471762929 /nfs/dbraw/zinc/76/29/29/471762929.db2.gz MIIHFEYECOPRGQ-UHFFFAOYSA-N 1 0 326.440 2.871 20 10 EFCDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cncc(F)c2)C1 ZINC000067207535 472005873 /nfs/dbraw/zinc/00/58/73/472005873.db2.gz WPFOFHYLJBFYHT-IWAYRVGRSA-N 1 0 325.387 2.753 20 10 EFCDRO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000054571711 472097480 /nfs/dbraw/zinc/09/74/80/472097480.db2.gz SOIXFYOUNSFHHA-UHFFFAOYSA-N 1 0 340.379 2.638 20 10 EFCDRO CCCCC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000041981148 472101343 /nfs/dbraw/zinc/10/13/43/472101343.db2.gz OJBHFAHLXIWSDY-UHFFFAOYSA-N 1 0 333.476 2.514 20 10 EFCDRO COc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cc(OC)c1OC ZINC000043288647 472219256 /nfs/dbraw/zinc/21/92/56/472219256.db2.gz RMRSYBQMIZKKGX-UHFFFAOYSA-N 1 0 329.396 2.937 20 10 EFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1F ZINC000084866800 472223524 /nfs/dbraw/zinc/22/35/24/472223524.db2.gz PKYLSNNIGXQIHL-GOSISDBHSA-N 1 0 330.403 2.690 20 10 EFCDRO CCOC(=O)CCCC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866957 472224177 /nfs/dbraw/zinc/22/41/77/472224177.db2.gz LVKLVSSCFLRRHK-UHFFFAOYSA-N 1 0 338.423 2.690 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000075957985 472227106 /nfs/dbraw/zinc/22/71/06/472227106.db2.gz AIQLBVSOBJZCMK-IBGZPJMESA-N 1 0 344.503 2.913 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)CCc2cccs2)cc1 ZINC000075965267 472229919 /nfs/dbraw/zinc/22/99/19/472229919.db2.gz PYKXXKVUVQXJNN-UHFFFAOYSA-N 1 0 345.512 2.947 20 10 EFCDRO CC[N@H+](CCc1cnn(C)c1)Cc1cc(Br)ccc1O ZINC000076118545 472277569 /nfs/dbraw/zinc/27/75/69/472277569.db2.gz USHAQQDMJOOPQC-UHFFFAOYSA-N 1 0 338.249 2.953 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000031728690 472390325 /nfs/dbraw/zinc/39/03/25/472390325.db2.gz IYTIIWBRPZXKAS-UHFFFAOYSA-N 1 0 332.492 2.861 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000045410510 472405932 /nfs/dbraw/zinc/40/59/32/472405932.db2.gz MYQPQFRHRZZJBE-UHFFFAOYSA-N 1 0 344.503 2.911 20 10 EFCDRO C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(N(C)C)cc1 ZINC000154412164 472431015 /nfs/dbraw/zinc/43/10/15/472431015.db2.gz MQYOUAXXXHZPKE-VQIMIIECSA-N 1 0 349.544 2.611 20 10 EFCDRO Cc1cc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c(C)n1-c1ccccn1 ZINC000057710931 472466550 /nfs/dbraw/zinc/46/65/50/472466550.db2.gz FPWSULDCXAFRML-CQSZACIVSA-N 1 0 326.444 2.702 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1ccccc1O ZINC000155050786 472503205 /nfs/dbraw/zinc/50/32/05/472503205.db2.gz QGKKNCNVAQACLT-INIZCTEOSA-N 1 0 348.468 2.883 20 10 EFCDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)Cc1ccccc1O ZINC000098034503 472514590 /nfs/dbraw/zinc/51/45/90/472514590.db2.gz OXEYZJYKNWNOGZ-OWCLPIDISA-N 1 0 333.476 2.900 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000058212045 472519098 /nfs/dbraw/zinc/51/90/98/472519098.db2.gz CUFFJBRWJZAJOI-GOSISDBHSA-N 1 0 330.476 2.522 20 10 EFCDRO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000071124165 472542914 /nfs/dbraw/zinc/54/29/14/472542914.db2.gz BANJGHKYLNQFID-UHFFFAOYSA-N 1 0 344.411 2.535 20 10 EFCDRO CC[C@@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccccc1O ZINC000155558939 472568754 /nfs/dbraw/zinc/56/87/54/472568754.db2.gz CQBXOBRHEYKYEC-QGZVFWFLSA-N 1 0 328.412 2.959 20 10 EFCDRO C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000119637696 472571935 /nfs/dbraw/zinc/57/19/35/472571935.db2.gz DPSNNIQHLJFRQV-MRXNPFEDSA-N 1 0 329.488 2.801 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccco3)CC2)cc1 ZINC000102560306 472582372 /nfs/dbraw/zinc/58/23/72/472582372.db2.gz JHTIGKLFTGSWJA-UHFFFAOYSA-N 1 0 329.444 2.590 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1F ZINC000119836626 472588802 /nfs/dbraw/zinc/58/88/02/472588802.db2.gz ANOBHWWUYFVNHB-OAHLLOKOSA-N 1 0 343.450 2.809 20 10 EFCDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC000130248109 472592144 /nfs/dbraw/zinc/59/21/44/472592144.db2.gz SMNYQLQICGFVFX-CVEARBPZSA-N 1 0 325.836 2.798 20 10 EFCDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000120027570 472618824 /nfs/dbraw/zinc/61/88/24/472618824.db2.gz AYUUBTGQOWIJTD-HNNXBMFYSA-N 1 0 342.439 2.985 20 10 EFCDRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000130904360 472634322 /nfs/dbraw/zinc/63/43/22/472634322.db2.gz JJXKAIFBQKXKGP-CQSZACIVSA-N 1 0 329.419 2.972 20 10 EFCDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000131073702 472647096 /nfs/dbraw/zinc/64/70/96/472647096.db2.gz SVUNRIZMZROMIR-INIZCTEOSA-N 1 0 333.476 2.902 20 10 EFCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)N(C)C1CC1 ZINC000131145635 472652471 /nfs/dbraw/zinc/65/24/71/472652471.db2.gz MLYVKAKRHMZYES-CABCVRRESA-N 1 0 335.467 2.796 20 10 EFCDRO COc1cccc(CNC(=O)NCCC[NH+](C(C)C)C(C)C)c1O ZINC000072517864 472670954 /nfs/dbraw/zinc/67/09/54/472670954.db2.gz LQPFOVIPWRTCEU-UHFFFAOYSA-N 1 0 337.464 2.709 20 10 EFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCOCCO)cc1 ZINC000060816924 472678113 /nfs/dbraw/zinc/67/81/13/472678113.db2.gz YNUGSPPZEFUARY-UHFFFAOYSA-N 1 0 328.456 2.812 20 10 EFCDRO CC[C@H](C)NC(=O)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000156538850 472722281 /nfs/dbraw/zinc/72/22/81/472722281.db2.gz WGBMNMCOJOALRA-HNNXBMFYSA-N 1 0 333.476 2.558 20 10 EFCDRO CC[N@@H+]1CCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000105323421 472745308 /nfs/dbraw/zinc/74/53/08/472745308.db2.gz OPFYIDARUHZMTP-UHFFFAOYSA-N 1 0 326.444 2.657 20 10 EFCDRO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)N1CCCCCC1 ZINC000072952766 472746602 /nfs/dbraw/zinc/74/66/02/472746602.db2.gz YQEAUGYNLXPZMB-GOSISDBHSA-N 1 0 346.471 2.776 20 10 EFCDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000105447762 472752283 /nfs/dbraw/zinc/75/22/83/472752283.db2.gz LXRACRQHSIYMMF-MRXNPFEDSA-N 1 0 326.440 2.950 20 10 EFCDRO COCCC[N@H+](CCOC)Cc1cc(Br)ccc1O ZINC000133095604 472774648 /nfs/dbraw/zinc/77/46/48/472774648.db2.gz SCVGIQGVQZKJNV-UHFFFAOYSA-N 1 0 332.238 2.640 20 10 EFCDRO CCOc1ccnc(N2CCC[N@H+](Cc3cc(C)ccc3O)CC2)n1 ZINC000091959548 472832836 /nfs/dbraw/zinc/83/28/36/472832836.db2.gz VWOAXGXGSRVRNK-UHFFFAOYSA-N 1 0 342.443 2.602 20 10 EFCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1C ZINC000092010978 472840945 /nfs/dbraw/zinc/84/09/45/472840945.db2.gz JCXBIUJLSBRNNU-QAPCUYQASA-N 1 0 329.444 2.688 20 10 EFCDRO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000092011088 472841960 /nfs/dbraw/zinc/84/19/60/472841960.db2.gz KEXNPLMGMUGYNX-WBMJQRKESA-N 1 0 335.835 2.725 20 10 EFCDRO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000092011090 472842044 /nfs/dbraw/zinc/84/20/44/472842044.db2.gz KEXNPLMGMUGYNX-LRDDRELGSA-N 1 0 335.835 2.725 20 10 EFCDRO CCCOc1ccc(C[NH+]2CCC(Cn3ccnn3)CC2)c(O)c1 ZINC000092098670 472858469 /nfs/dbraw/zinc/85/84/69/472858469.db2.gz VMKLZLBAASJACD-UHFFFAOYSA-N 1 0 330.432 2.685 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3C=CCC3)cc2F)CC1 ZINC000106702648 472882717 /nfs/dbraw/zinc/88/27/17/472882717.db2.gz IHWRPFQWFTVOKS-INIZCTEOSA-N 1 0 345.462 2.940 20 10 EFCDRO COc1cccc(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1O ZINC000073822249 472884066 /nfs/dbraw/zinc/88/40/66/472884066.db2.gz NMCYYNRGMZOXMM-AWEZNQCLSA-N 1 0 349.475 2.711 20 10 EFCDRO CCCOCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134265352 472889799 /nfs/dbraw/zinc/88/97/99/472889799.db2.gz ULYABUDKEYGRKH-OAHLLOKOSA-N 1 0 340.851 2.553 20 10 EFCDRO COc1cccc(CNC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1O ZINC000073867228 472890484 /nfs/dbraw/zinc/89/04/84/472890484.db2.gz LBSSIBXZIXDOMT-RBSFLKMASA-N 1 0 349.475 2.566 20 10 EFCDRO COc1cccc(CNC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000073867224 472890556 /nfs/dbraw/zinc/89/05/56/472890556.db2.gz LBSSIBXZIXDOMT-QLFBSQMISA-N 1 0 349.475 2.566 20 10 EFCDRO CCOc1cccc(C[NH+]2CCN(Cc3ccccn3)CC2)c1O ZINC000121950018 472951805 /nfs/dbraw/zinc/95/18/05/472951805.db2.gz UXSJYEGWSQTGAG-UHFFFAOYSA-N 1 0 327.428 2.504 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1O ZINC000092661781 472956657 /nfs/dbraw/zinc/95/66/57/472956657.db2.gz JSRGEYPCZYEHFA-QGZVFWFLSA-N 1 0 335.444 2.951 20 10 EFCDRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000121994599 472959635 /nfs/dbraw/zinc/95/96/35/472959635.db2.gz HADRZUOHWPDVEQ-HNNXBMFYSA-N 1 0 332.469 2.705 20 10 EFCDRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000121994800 472959754 /nfs/dbraw/zinc/95/97/54/472959754.db2.gz HADRZUOHWPDVEQ-OAHLLOKOSA-N 1 0 332.469 2.705 20 10 EFCDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCCSc1nccs1 ZINC000107519146 472961300 /nfs/dbraw/zinc/96/13/00/472961300.db2.gz ZFGPSMCPEBWNGJ-CHWSQXEVSA-N 1 0 342.534 2.607 20 10 EFCDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000092731236 472973448 /nfs/dbraw/zinc/97/34/48/472973448.db2.gz HPMPKMFPJGXRAQ-ZBFHGGJFSA-N 1 0 334.460 2.918 20 10 EFCDRO Cn1nccc1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000080205700 472995685 /nfs/dbraw/zinc/99/56/85/472995685.db2.gz OKXFQGPFZMUYAF-ZDUSSCGKSA-N 1 0 336.386 2.780 20 10 EFCDRO CC[NH+](CC)[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1 ZINC000122385395 473008239 /nfs/dbraw/zinc/00/82/39/473008239.db2.gz PNWJRHRMEUHPQX-IBGZPJMESA-N 1 0 342.439 2.840 20 10 EFCDRO OCC[N@H+](Cc1cccnc1)Cc1cc(Br)ccc1O ZINC000093085571 473040784 /nfs/dbraw/zinc/04/07/84/473040784.db2.gz YAECDAWFZOTWGX-UHFFFAOYSA-N 1 0 337.217 2.544 20 10 EFCDRO COc1ccc(C[N@H+](CCO)Cc2ccc(N(C)C)cc2)c(OC)c1 ZINC000093363657 473097248 /nfs/dbraw/zinc/09/72/48/473097248.db2.gz MDWXKDGPWREWNZ-UHFFFAOYSA-N 1 0 344.455 2.764 20 10 EFCDRO C[N@H+](CCCO)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093394711 473100545 /nfs/dbraw/zinc/10/05/45/473100545.db2.gz FVZROGRTPRVWIT-UHFFFAOYSA-N 1 0 345.531 2.956 20 10 EFCDRO OCCC[N@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CCc2ccccc21 ZINC000093389308 473101286 /nfs/dbraw/zinc/10/12/86/473101286.db2.gz WDHLMRGMAKLSKW-KRWDZBQOSA-N 1 0 341.407 2.993 20 10 EFCDRO COc1cccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)c1O ZINC000093532221 473115770 /nfs/dbraw/zinc/11/57/70/473115770.db2.gz JLZKJDGUHVHMCE-UHFFFAOYSA-N 1 0 332.444 2.625 20 10 EFCDRO COc1ccccc1CNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000109773024 473119627 /nfs/dbraw/zinc/11/96/27/473119627.db2.gz AZKAEUOUKJJQPD-CQSZACIVSA-N 1 0 328.412 2.538 20 10 EFCDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)cc1OC ZINC000109773009 473120604 /nfs/dbraw/zinc/12/06/04/473120604.db2.gz VAMJEMKRWCVTGA-CYBMUJFWSA-N 1 0 344.411 2.868 20 10 EFCDRO COc1cc(O)c(CN2CC[NH+](C3CCCCC3)CC2)cc1OC ZINC000160437680 473124095 /nfs/dbraw/zinc/12/40/95/473124095.db2.gz WZVVIDIYVUPJJL-UHFFFAOYSA-N 1 0 334.460 2.860 20 10 EFCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000093647059 473130466 /nfs/dbraw/zinc/13/04/66/473130466.db2.gz MGCXUPAIDASPQQ-RDJZCZTQSA-N 1 0 341.473 2.579 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000093665345 473132301 /nfs/dbraw/zinc/13/23/01/473132301.db2.gz HTHAJSAVSXXADM-LJQANCHMSA-N 1 0 331.504 2.687 20 10 EFCDRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000093688165 473135606 /nfs/dbraw/zinc/13/56/06/473135606.db2.gz HZPIHUCFHOANQD-INIZCTEOSA-N 1 0 329.396 2.894 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000066700364 473141559 /nfs/dbraw/zinc/14/15/59/473141559.db2.gz FNUTVCFIWJDGLS-IAGOWNOFSA-N 1 0 331.460 2.941 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@]3(CCOC3)C2)c1O ZINC000093820038 473150885 /nfs/dbraw/zinc/15/08/85/473150885.db2.gz NBSXFTAEDZGDCW-HNNXBMFYSA-N 1 0 342.233 2.776 20 10 EFCDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)c(OC)c1 ZINC000111235631 473197945 /nfs/dbraw/zinc/19/79/45/473197945.db2.gz OULTVLPUHVVVEF-ZDUSSCGKSA-N 1 0 344.411 2.868 20 10 EFCDRO C[C@H]([NH2+]CCc1ccccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000151399700 473452614 /nfs/dbraw/zinc/45/26/14/473452614.db2.gz IPJVWZDNAASARI-HNNXBMFYSA-N 1 0 329.419 2.951 20 10 EFCDRO C[C@@H]([NH2+]CCc1ccccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000151399770 473453267 /nfs/dbraw/zinc/45/32/67/473453267.db2.gz IPJVWZDNAASARI-OAHLLOKOSA-N 1 0 329.419 2.951 20 10 EFCDRO C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(Br)cc1O ZINC000185639340 473475100 /nfs/dbraw/zinc/47/51/00/473475100.db2.gz MPDOOBFVVKCAIH-NOZJJQNGSA-N 1 0 332.263 2.673 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)c1 ZINC000185649837 473477876 /nfs/dbraw/zinc/47/78/76/473477876.db2.gz OHPYRESBHJGGHP-ZDUSSCGKSA-N 1 0 349.452 2.796 20 10 EFCDRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185673945 473485409 /nfs/dbraw/zinc/48/54/09/473485409.db2.gz WJLRCCRMGQZNGJ-MDZLAQPJSA-N 1 0 344.249 2.999 20 10 EFCDRO Cc1ccc(NC(=O)c2cccc(O)c2O)c(OCC[NH+](C)C)c1 ZINC000185705029 473493723 /nfs/dbraw/zinc/49/37/23/473493723.db2.gz RKHYOONGJUACMO-UHFFFAOYSA-N 1 0 330.384 2.599 20 10 EFCDRO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-])N1CC[NH+](C)CC1 ZINC000191197454 473504291 /nfs/dbraw/zinc/50/42/91/473504291.db2.gz WQKSSYUWGWVBTI-CJNGLKHVSA-N 1 0 341.446 2.593 20 10 EFCDRO C[C@@H]1CCN(C(=O)c2cccc(O)c2O)CC[N@@H+]1Cc1ccccc1 ZINC000185764169 473508452 /nfs/dbraw/zinc/50/84/52/473508452.db2.gz KGOOLEVCYNFSFH-OAHLLOKOSA-N 1 0 340.423 2.834 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@H]3CCC[NH2+]3)c2C)cc1 ZINC000178766266 473556482 /nfs/dbraw/zinc/55/64/82/473556482.db2.gz MJFYFTBFHNCVOZ-OAHLLOKOSA-N 1 0 327.428 2.585 20 10 EFCDRO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1=O ZINC000186102320 473591819 /nfs/dbraw/zinc/59/18/19/473591819.db2.gz VDUCJHXEGKRMFF-WFASDCNBSA-N 1 0 344.386 2.996 20 10 EFCDRO C[C@H]([NH2+]CC1(CO)CCOCC1)c1ccc(Br)cc1O ZINC000186149956 473601327 /nfs/dbraw/zinc/60/13/27/473601327.db2.gz QNGRCSOGRLVZRB-NSHDSACASA-N 1 0 344.249 2.594 20 10 EFCDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 ZINC000179005516 473610500 /nfs/dbraw/zinc/61/05/00/473610500.db2.gz RTJBCYWYNJCUCV-INIZCTEOSA-N 1 0 341.455 2.784 20 10 EFCDRO COc1cccc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1O ZINC000179058846 473620136 /nfs/dbraw/zinc/62/01/36/473620136.db2.gz UMKTZVPQXULIFJ-INIZCTEOSA-N 1 0 340.423 2.539 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000179061784 473620781 /nfs/dbraw/zinc/62/07/81/473620781.db2.gz VHPRVSPBXRBWBZ-IBGZPJMESA-N 1 0 337.467 2.891 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000153822019 473643940 /nfs/dbraw/zinc/64/39/40/473643940.db2.gz FHTUMBMEHDKVCK-HXUWFJFHSA-N 1 0 326.440 2.987 20 10 EFCDRO CC[C@@H]([NH2+]C1CCN(C(=O)CCOC)CC1)c1ccc(N(C)C)cc1 ZINC000127848904 473657507 /nfs/dbraw/zinc/65/75/07/473657507.db2.gz JMJLHOLTEAGDGR-LJQANCHMSA-N 1 0 347.503 2.821 20 10 EFCDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000186356113 473658227 /nfs/dbraw/zinc/65/82/27/473658227.db2.gz TYRSRIBXJHHIEK-DOMZBBRYSA-N 1 0 342.867 2.874 20 10 EFCDRO C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc2c(cc1O)CCCC2 ZINC000186375565 473663889 /nfs/dbraw/zinc/66/38/89/473663889.db2.gz UBZZCGYUKZJZNG-YOEHRIQHSA-N 1 0 347.455 2.844 20 10 EFCDRO [NH3+]Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000186449574 473675881 /nfs/dbraw/zinc/67/58/81/473675881.db2.gz YXENUSMSEXSGNT-GOSISDBHSA-N 1 0 340.423 2.672 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1 ZINC000179344114 473676981 /nfs/dbraw/zinc/67/69/81/473676981.db2.gz XPZJSMCDHFBVTH-HNNXBMFYSA-N 1 0 332.444 2.529 20 10 EFCDRO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000179486386 473690793 /nfs/dbraw/zinc/69/07/93/473690793.db2.gz DEYFLHSSLWBKFK-LJQANCHMSA-N 1 0 327.472 2.920 20 10 EFCDRO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000179573546 473695409 /nfs/dbraw/zinc/69/54/09/473695409.db2.gz RJDOOXCYTKITCI-UHFFFAOYSA-N 1 0 328.387 2.879 20 10 EFCDRO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000179671692 473704774 /nfs/dbraw/zinc/70/47/74/473704774.db2.gz XRCWWFLEYWNBED-OAHLLOKOSA-N 1 0 334.803 2.919 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(F)cc1[O-] ZINC000287623423 473715723 /nfs/dbraw/zinc/71/57/23/473715723.db2.gz TUFHLWLWJKZPMA-UKRRQHHQSA-N 1 0 335.423 2.862 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1O ZINC000179779991 473724313 /nfs/dbraw/zinc/72/43/13/473724313.db2.gz AESKMCKFUNXEAK-HNNXBMFYSA-N 1 0 338.411 2.823 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)c1 ZINC000179794058 473727084 /nfs/dbraw/zinc/72/70/84/473727084.db2.gz NILYCLDPFJPEGF-UHFFFAOYSA-N 1 0 346.471 2.871 20 10 EFCDRO C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])N1CC[NH+](C)CC1 ZINC000192832405 473733935 /nfs/dbraw/zinc/73/39/35/473733935.db2.gz GSBKAHDGTPWICJ-RYUDHWBXSA-N 1 0 346.302 2.986 20 10 EFCDRO C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000287685193 473734298 /nfs/dbraw/zinc/73/42/98/473734298.db2.gz WKDDUOUOIMEOCR-ZOBUZTSGSA-N 1 0 336.451 2.986 20 10 EFCDRO O=C(NCc1ccccc1O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000281509881 473745226 /nfs/dbraw/zinc/74/52/26/473745226.db2.gz KALHJKRUTDUKGL-QGZVFWFLSA-N 1 0 331.460 2.989 20 10 EFCDRO CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287731531 473745906 /nfs/dbraw/zinc/74/59/06/473745906.db2.gz PDKQSEOFXURHFV-CJNGLKHVSA-N 1 0 325.884 2.722 20 10 EFCDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000179886970 473750308 /nfs/dbraw/zinc/75/03/08/473750308.db2.gz QHUXFEOMWWUSOG-GFCCVEGCSA-N 1 0 328.206 2.682 20 10 EFCDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Cc1ccc(N)cc1 ZINC000269256376 473751370 /nfs/dbraw/zinc/75/13/70/473751370.db2.gz JYZSFTGKKKFJPL-UHFFFAOYSA-N 1 0 338.455 2.510 20 10 EFCDRO CC[C@H]([NH2+]CC(=O)N(C)CC)c1cc(Br)ccc1O ZINC000186804687 473759101 /nfs/dbraw/zinc/75/91/01/473759101.db2.gz VFVRUTSUYNVURD-LBPRGKRZSA-N 1 0 329.238 2.674 20 10 EFCDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cc(F)ccc2O)CC1 ZINC000180011616 473777220 /nfs/dbraw/zinc/77/72/20/473777220.db2.gz YCAHURPXAXCTBL-IYBDPMFKSA-N 1 0 335.467 2.522 20 10 EFCDRO COc1cccc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1O ZINC000193333866 473781472 /nfs/dbraw/zinc/78/14/72/473781472.db2.gz IANFMFNVTYYMPV-GASCZTMLSA-N 1 0 348.443 2.700 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC(=O)NC(C)C)c1O ZINC000186946147 473786225 /nfs/dbraw/zinc/78/62/25/473786225.db2.gz ARRNXKBZUGXLSN-JTQLQIEISA-N 1 0 329.238 2.638 20 10 EFCDRO Cc1cccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1O ZINC000180082593 473793279 /nfs/dbraw/zinc/79/32/79/473793279.db2.gz LWKWCGKAKFQTGO-AWEZNQCLSA-N 1 0 348.468 2.802 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCCNC2=O)c1O ZINC000186985250 473795743 /nfs/dbraw/zinc/79/57/43/473795743.db2.gz MCHSXIDGXHTMMV-GXFFZTMASA-N 1 0 341.249 2.782 20 10 EFCDRO Cc1cc(C(=O)CN2CC[C@H](CO)C2)c(C)n1-c1cccc(F)c1 ZINC000269496368 473824688 /nfs/dbraw/zinc/82/46/88/473824688.db2.gz ZUWNWZYPIIHVPH-HNNXBMFYSA-N 1 0 330.403 2.730 20 10 EFCDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(O)c1O ZINC000187153639 473826258 /nfs/dbraw/zinc/82/62/58/473826258.db2.gz MXNTVNKTFFGYGO-MRXNPFEDSA-N 1 0 340.423 2.692 20 10 EFCDRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187214872 473838955 /nfs/dbraw/zinc/83/89/55/473838955.db2.gz VKARHEOVAKHWGL-IAQYHMDHSA-N 1 0 346.265 2.901 20 10 EFCDRO CCc1nsc(N2CCC[N@H+](Cc3cc(F)ccc3O)CC2)n1 ZINC000180250851 473839171 /nfs/dbraw/zinc/83/91/71/473839171.db2.gz ZHWBSAJDJXQQMG-UHFFFAOYSA-N 1 0 336.436 2.658 20 10 EFCDRO Oc1ccc(F)cc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000281814303 473845575 /nfs/dbraw/zinc/84/55/75/473845575.db2.gz OBUBVXRVWHAUDE-QUCCMNQESA-N 1 0 342.414 2.617 20 10 EFCDRO Cc1cc(Br)cc(C[NH2+]CC2([S@@](C)=O)CCC2)c1O ZINC000281827226 473850192 /nfs/dbraw/zinc/85/01/92/473850192.db2.gz PMKHMNNKFMSQQL-LJQANCHMSA-N 1 0 346.290 2.854 20 10 EFCDRO Cc1ccc([C@H](C[NH2+]Cc2cc(F)ccc2O)N2CCOCC2)o1 ZINC000180411863 473870561 /nfs/dbraw/zinc/87/05/61/473870561.db2.gz PQCWZOXEWXYVLC-INIZCTEOSA-N 1 0 334.391 2.596 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccc(N2CCCCC2)c(F)c1 ZINC000281931009 473888092 /nfs/dbraw/zinc/88/80/92/473888092.db2.gz AYUDJANIMLMZIO-KGLIPLIRSA-N 1 0 339.430 2.941 20 10 EFCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCOCCOCCOC)cc1 ZINC000274627241 473902175 /nfs/dbraw/zinc/90/21/75/473902175.db2.gz HGJMJJMIOCNICA-KRWDZBQOSA-N 1 0 338.492 2.863 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000269925272 473919035 /nfs/dbraw/zinc/91/90/35/473919035.db2.gz LPSVPZFMAQDEJI-GUDVDZBRSA-N 1 0 328.456 2.570 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000180629516 473924146 /nfs/dbraw/zinc/92/41/46/473924146.db2.gz GAKPSXVXZICDIS-SFHVURJKSA-N 1 0 335.444 2.951 20 10 EFCDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180661647 473933094 /nfs/dbraw/zinc/93/30/94/473933094.db2.gz PQVOEDOGUYRMBV-CJKAQPIMSA-N 1 0 332.444 2.595 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](C)[NH+](C)C)ccc21 ZINC000264111278 473950343 /nfs/dbraw/zinc/95/03/43/473950343.db2.gz IWZVLMPKSSHLOW-CYBMUJFWSA-N 1 0 331.460 2.584 20 10 EFCDRO CCOc1ccnc(N2CCC[N@H+](Cc3cccc(C)c3O)CC2)n1 ZINC000180719023 473950472 /nfs/dbraw/zinc/95/04/72/473950472.db2.gz GFUXZGKLAZRJEH-UHFFFAOYSA-N 1 0 342.443 2.602 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](C)[NH+](C)C)ccc21 ZINC000264111281 473951056 /nfs/dbraw/zinc/95/10/56/473951056.db2.gz IWZVLMPKSSHLOW-ZDUSSCGKSA-N 1 0 331.460 2.584 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000188016024 473956387 /nfs/dbraw/zinc/95/63/87/473956387.db2.gz SNAOENXFYOKKJC-DAYGRLMNSA-N 1 0 336.451 2.864 20 10 EFCDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000264365107 473963695 /nfs/dbraw/zinc/96/36/95/473963695.db2.gz VVQRHSRUPILFNX-OAHLLOKOSA-N 1 0 329.419 2.915 20 10 EFCDRO C[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000288609959 473999371 /nfs/dbraw/zinc/99/93/71/473999371.db2.gz QNCPFCZFMQDVMD-CQSZACIVSA-N 1 0 328.412 2.731 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CC2([S@](C)=O)CC2)c(C(F)(F)F)c1 ZINC000282298177 474013384 /nfs/dbraw/zinc/01/33/84/474013384.db2.gz JODKDTGQOHRCQW-QFIPXVFZSA-N 1 0 334.407 2.772 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccccc1O ZINC000274957159 474024885 /nfs/dbraw/zinc/02/48/85/474024885.db2.gz WCIDADHHNAXNQK-KRWDZBQOSA-N 1 0 327.428 2.865 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1F ZINC000264529444 474026164 /nfs/dbraw/zinc/02/61/64/474026164.db2.gz YFACBOXXZYZQMK-MRXNPFEDSA-N 1 0 348.466 2.662 20 10 EFCDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cccc(O)c1O ZINC000188275057 474042420 /nfs/dbraw/zinc/04/24/20/474042420.db2.gz VXSRACQRGUFGAT-UHFFFAOYSA-N 1 0 326.396 2.988 20 10 EFCDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cccc(O)c1O ZINC000188303111 474051956 /nfs/dbraw/zinc/05/19/56/474051956.db2.gz JLFAYWQVYARLBQ-UHFFFAOYSA-N 1 0 342.439 2.734 20 10 EFCDRO Cc1cc(C)n(CC[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000264612034 474059065 /nfs/dbraw/zinc/05/90/65/474059065.db2.gz NZXZBBQMFZNYEP-SFHVURJKSA-N 1 0 329.444 2.887 20 10 EFCDRO Cc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(O)c1O ZINC000181776800 474062708 /nfs/dbraw/zinc/06/27/08/474062708.db2.gz FVVMSTFOXLWUHR-AWEZNQCLSA-N 1 0 330.384 2.566 20 10 EFCDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000275132693 474079356 /nfs/dbraw/zinc/07/93/56/474079356.db2.gz KYBPRHMAIIIIFB-SECBINFHSA-N 1 0 336.741 2.546 20 10 EFCDRO CN(C)c1ccc(CNC(=O)CN2CC=C(C(F)(F)F)CC2)cc1 ZINC000270343451 474081241 /nfs/dbraw/zinc/08/12/41/474081241.db2.gz UZZGVJRJOXSTBZ-UHFFFAOYSA-N 1 0 341.377 2.563 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1OC ZINC000182087914 474096642 /nfs/dbraw/zinc/09/66/42/474096642.db2.gz CGTPOIAAHPUPDE-AWEZNQCLSA-N 1 0 345.443 2.598 20 10 EFCDRO COc1ccc(O)c(C[NH2+]CCCC(=O)N2CCc3ccccc32)c1 ZINC000182187245 474117943 /nfs/dbraw/zinc/11/79/43/474117943.db2.gz WSSJBUPZCOHUQI-UHFFFAOYSA-N 1 0 340.423 2.860 20 10 EFCDRO Cc1cccc(C[NH2+]CCCCN2C(=O)c3ccccc3C2=O)c1O ZINC000182214245 474123965 /nfs/dbraw/zinc/12/39/65/474123965.db2.gz WURQZWMCRDISPZ-UHFFFAOYSA-N 1 0 338.407 2.867 20 10 EFCDRO CCCOc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c(O)c1 ZINC000282649641 474142420 /nfs/dbraw/zinc/14/24/20/474142420.db2.gz HTRAVFSBRMDIQH-VQIMIIECSA-N 1 0 349.471 2.838 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COc2cccc(C)c2)c1 ZINC000182340215 474153558 /nfs/dbraw/zinc/15/35/58/474153558.db2.gz PDJGEKBXYNJKKO-HUUCEWRRSA-N 1 0 331.412 2.800 20 10 EFCDRO Cc1n[nH]c(CC[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)n1 ZINC000275365261 474159760 /nfs/dbraw/zinc/15/97/60/474159760.db2.gz UMKWROJTCUNAKV-VIFPVBQESA-N 1 0 339.237 2.783 20 10 EFCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1F ZINC000264970556 474162923 /nfs/dbraw/zinc/16/29/23/474162923.db2.gz QSUBLQMSFICTPJ-UHFFFAOYSA-N 1 0 339.418 2.821 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000182412990 474169957 /nfs/dbraw/zinc/16/99/57/474169957.db2.gz PUSYPUWEXZZRHD-WBMJQRKESA-N 1 0 344.386 2.996 20 10 EFCDRO COc1ccc([C@H](CCO)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)cc1 ZINC000182414085 474171454 /nfs/dbraw/zinc/17/14/54/474171454.db2.gz QLPJCQIATMCAOZ-SFHVURJKSA-N 1 0 347.386 2.956 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000182441211 474176402 /nfs/dbraw/zinc/17/64/02/474176402.db2.gz AOITUAFYWUDRQE-MFKMUULPSA-N 1 0 346.349 2.605 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)c1 ZINC000182457654 474180842 /nfs/dbraw/zinc/18/08/42/474180842.db2.gz QYMUBVKWQFIILC-TZMCWYRMSA-N 1 0 335.375 2.630 20 10 EFCDRO O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000182536155 474199974 /nfs/dbraw/zinc/19/99/74/474199974.db2.gz PWUGMIRZMNSKRI-KRWDZBQOSA-N 1 0 340.423 2.769 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cncn3C)C2)c(O)c1 ZINC000275502809 474212817 /nfs/dbraw/zinc/21/28/17/474212817.db2.gz JUGXRBWTDHYCAM-DNVCBOLYSA-N 1 0 345.443 2.924 20 10 EFCDRO C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[NH+]1CCCCCC1 ZINC000175426522 474217165 /nfs/dbraw/zinc/21/71/65/474217165.db2.gz JPVDPQCLWSDRHK-HNNXBMFYSA-N 1 0 331.460 2.743 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)C(=O)NCCF ZINC000282890794 474232255 /nfs/dbraw/zinc/23/22/55/474232255.db2.gz ZGVXSVNSRWDEMO-AWEZNQCLSA-N 1 0 346.402 2.535 20 10 EFCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCN1CCCOCC1 ZINC000289403607 474257663 /nfs/dbraw/zinc/25/76/63/474257663.db2.gz GXHMNZOAEFFHKH-UHFFFAOYSA-N 1 0 326.440 2.871 20 10 EFCDRO COc1cc(Cl)cc(C[N@H+](CCCO)Cc2ccccn2)c1O ZINC000289455454 474277772 /nfs/dbraw/zinc/27/77/72/474277772.db2.gz NTRYVIIUASIIMB-UHFFFAOYSA-N 1 0 336.819 2.834 20 10 EFCDRO COc1ccc(F)cc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000189204592 474323751 /nfs/dbraw/zinc/32/37/51/474323751.db2.gz SHKOWIFZHLDJGR-UHFFFAOYSA-N 1 0 330.403 2.961 20 10 EFCDRO CNC(=O)CCC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000183103692 474328368 /nfs/dbraw/zinc/32/83/68/474328368.db2.gz HGESFBXLPMISBB-UHFFFAOYSA-N 1 0 342.439 2.929 20 10 EFCDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000289591414 474337147 /nfs/dbraw/zinc/33/71/47/474337147.db2.gz KLSSOHRVOAKAAG-RXVVDRJESA-N 1 0 343.515 2.972 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000289640888 474356683 /nfs/dbraw/zinc/35/66/83/474356683.db2.gz MHUROPOSTGUXMH-OCCSQVGLSA-N 1 0 333.350 2.784 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000289640892 474356971 /nfs/dbraw/zinc/35/69/71/474356971.db2.gz MHUROPOSTGUXMH-TZMCWYRMSA-N 1 0 333.350 2.784 20 10 EFCDRO CC[N@H+](C)[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC000183439772 474379545 /nfs/dbraw/zinc/37/95/45/474379545.db2.gz WPPPVUZIXABFPQ-LIRRHRJNSA-N 1 0 342.439 2.838 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000265903775 474379596 /nfs/dbraw/zinc/37/95/96/474379596.db2.gz VWAZTYJKSQDNKW-WMZOPIPTSA-N 1 0 338.517 2.978 20 10 EFCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000183443412 474380681 /nfs/dbraw/zinc/38/06/81/474380681.db2.gz JEYURGYOVDPORE-STQMWFEESA-N 1 0 334.441 2.712 20 10 EFCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000183443449 474381147 /nfs/dbraw/zinc/38/11/47/474381147.db2.gz JEYURGYOVDPORE-QWHCGFSZSA-N 1 0 334.441 2.712 20 10 EFCDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000189408622 474387560 /nfs/dbraw/zinc/38/75/60/474387560.db2.gz GQCXXEZMVONFHT-UWVGGRQHSA-N 1 0 329.238 2.672 20 10 EFCDRO COc1cccc(C2(C[NH2+]Cc3cc4c(cc3O)OCO4)CC2)c1 ZINC000289708734 474389044 /nfs/dbraw/zinc/38/90/44/474389044.db2.gz DWQUCLZTASRMFW-UHFFFAOYSA-N 1 0 327.380 2.951 20 10 EFCDRO COCCn1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000271059564 474389930 /nfs/dbraw/zinc/38/99/30/474389930.db2.gz VWGUKJWYYITREK-UHFFFAOYSA-N 1 0 328.460 2.760 20 10 EFCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cc(Br)ccc2O)o1 ZINC000266052123 474415527 /nfs/dbraw/zinc/41/55/27/474415527.db2.gz VIGBBCATTAHRLA-ZDUSSCGKSA-N 1 0 326.190 2.879 20 10 EFCDRO COc1cc(N2CCN(C/C=C/Cl)CC2)cc(OC)c1OC ZINC000183706174 474415150 /nfs/dbraw/zinc/41/51/50/474415150.db2.gz CCLOOYRKBFBXED-SNAWJCMRSA-N 1 0 326.824 2.587 20 10 EFCDRO COC[C@@]1(C[NH2+]Cc2cccc(OC)c2O)OCCc2ccccc21 ZINC000289773736 474420874 /nfs/dbraw/zinc/42/08/74/474420874.db2.gz IZNGXRPDWKIODM-HXUWFJFHSA-N 1 0 343.423 2.605 20 10 EFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)COC(C)C ZINC000266534833 474434359 /nfs/dbraw/zinc/43/43/59/474434359.db2.gz HASYQURUNNKNSR-AWEZNQCLSA-N 1 0 346.265 2.763 20 10 EFCDRO CCCOc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)OC)CC2)c(O)c1 ZINC000271199724 474439119 /nfs/dbraw/zinc/43/91/19/474439119.db2.gz SRNYXCHOSKDEBB-MRXNPFEDSA-N 1 0 333.428 2.956 20 10 EFCDRO CN(CC1([NH+](C)C)CCC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000189718558 474470294 /nfs/dbraw/zinc/47/02/94/474470294.db2.gz FGQUKFDYWHIFLZ-UHFFFAOYSA-N 1 0 344.503 2.913 20 10 EFCDRO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000271276125 474470813 /nfs/dbraw/zinc/47/08/13/474470813.db2.gz KYSTYXVQLNKAMJ-MLGOLLRUSA-N 1 0 335.835 2.725 20 10 EFCDRO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000271276128 474471017 /nfs/dbraw/zinc/47/10/17/474471017.db2.gz KYSTYXVQLNKAMJ-WBMJQRKESA-N 1 0 335.835 2.725 20 10 EFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@]2(CO)CCOC2)cc1 ZINC000184195638 474485158 /nfs/dbraw/zinc/48/51/58/474485158.db2.gz SGALUHFWBNVZPW-NRFANRHFSA-N 1 0 340.467 2.954 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1O ZINC000271406864 474530590 /nfs/dbraw/zinc/53/05/90/474530590.db2.gz WTSKYNAGVRQUEP-CQSZACIVSA-N 1 0 328.416 2.776 20 10 EFCDRO CN(C)C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(F)cc1 ZINC000290062219 474544842 /nfs/dbraw/zinc/54/48/42/474544842.db2.gz HKGBGGVQZHSPQC-OAHLLOKOSA-N 1 0 332.375 2.653 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]CCS(=O)(=O)C(C)C)cc1F ZINC000290268211 474564506 /nfs/dbraw/zinc/56/45/06/474564506.db2.gz XPMANTIXVKKGGR-UHFFFAOYSA-N 1 0 330.469 2.585 20 10 EFCDRO Cc1cccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1O ZINC000290316493 474566852 /nfs/dbraw/zinc/56/68/52/474566852.db2.gz CPHCOJMHAUEFKQ-WOJBJXKFSA-N 1 0 340.467 2.673 20 10 EFCDRO OC[C@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000290390693 474569211 /nfs/dbraw/zinc/56/92/11/474569211.db2.gz ITZVPTIHHAUIKR-VQIMIIECSA-N 1 0 344.430 2.504 20 10 EFCDRO COc1cc(C[N@H+](Cc2cc3c(cc2O)OCO3)C2CC2)ccc1O ZINC000276750383 474570284 /nfs/dbraw/zinc/57/02/84/474570284.db2.gz KRRWHXMANAUABE-UHFFFAOYSA-N 1 0 343.379 3.000 20 10 EFCDRO CCCOc1ccc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c(O)c1 ZINC000290425278 474570536 /nfs/dbraw/zinc/57/05/36/474570536.db2.gz LAWTUJZCLSVMHU-INIZCTEOSA-N 1 0 332.444 2.625 20 10 EFCDRO C[C@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000271527452 474580677 /nfs/dbraw/zinc/58/06/77/474580677.db2.gz QKHMSTNRRAWCEQ-ZAAXVRCTSA-N 1 0 328.456 2.888 20 10 EFCDRO C[C@H]([NH2+][C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000271527437 474580884 /nfs/dbraw/zinc/58/08/84/474580884.db2.gz QKHMSTNRRAWCEQ-CVAIRZPRSA-N 1 0 328.456 2.888 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000271664087 474584372 /nfs/dbraw/zinc/58/43/72/474584372.db2.gz LPABKNAVTAADJL-OAHLLOKOSA-N 1 0 341.455 2.728 20 10 EFCDRO COc1cc(O)c(C[N@H+](CCCO)Cc2ccccc2)cc1OC ZINC000271718546 474587093 /nfs/dbraw/zinc/58/70/93/474587093.db2.gz JGHVXNQMWAHZHZ-UHFFFAOYSA-N 1 0 331.412 2.794 20 10 EFCDRO Cc1ccc(O)c(C[NH+]2CCN(c3nc(F)c(F)cc3F)CC2)c1 ZINC000277544456 474588239 /nfs/dbraw/zinc/58/82/39/474588239.db2.gz QMVFSGHCOVQQML-UHFFFAOYSA-N 1 0 337.345 2.835 20 10 EFCDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cccc(Br)c1O ZINC000277585619 474590714 /nfs/dbraw/zinc/59/07/14/474590714.db2.gz RWNHJJBOYNPDQJ-CYBMUJFWSA-N 1 0 341.249 2.645 20 10 EFCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCN(c3ccccc3F)C1)OCO2 ZINC000291082579 474593186 /nfs/dbraw/zinc/59/31/86/474593186.db2.gz VKTDWZHGJZMYSC-ZDUSSCGKSA-N 1 0 344.386 2.876 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000277709765 474594470 /nfs/dbraw/zinc/59/44/70/474594470.db2.gz HAJKLXUMWDIFJQ-SFHVURJKSA-N 1 0 330.476 2.569 20 10 EFCDRO CON(C)C(=O)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000291165543 474596160 /nfs/dbraw/zinc/59/61/60/474596160.db2.gz CZLUZBYFKBOXDU-UHFFFAOYSA-N 1 0 345.487 2.909 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)Nc2cccc(CN3CCNC(=O)C3)c2)c1 ZINC000291167198 474596365 /nfs/dbraw/zinc/59/63/65/474596365.db2.gz JEQRRBDQWIUCAU-OAHLLOKOSA-N 1 0 339.439 2.806 20 10 EFCDRO Cc1cc(Br)cc(C[NH2+]C[C@@](C)(O)C(F)(F)F)c1O ZINC000271858827 474596416 /nfs/dbraw/zinc/59/64/16/474596416.db2.gz VJLLAKDRXJWJFG-LLVKDONJSA-N 1 0 342.155 2.866 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@@H]3Cc4ccccc4[C@H]3O)CC2)cc1F ZINC000271881810 474597989 /nfs/dbraw/zinc/59/79/89/474597989.db2.gz CEJCZSDIQCTTMZ-UYAOXDASSA-N 1 0 342.414 2.615 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1O ZINC000291272295 474599452 /nfs/dbraw/zinc/59/94/52/474599452.db2.gz NWIFEWRWEBSAQH-HXUWFJFHSA-N 1 0 327.424 2.927 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000272026713 474600351 /nfs/dbraw/zinc/60/03/51/474600351.db2.gz YFBOGXYROWGEBN-CYBMUJFWSA-N 1 0 328.416 2.776 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000272028120 474600544 /nfs/dbraw/zinc/60/05/44/474600544.db2.gz YFBOGXYROWGEBN-ZDUSSCGKSA-N 1 0 328.416 2.776 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)N(C)OC)CC2)cc1 ZINC000291375124 474602025 /nfs/dbraw/zinc/60/20/25/474602025.db2.gz ZSZPVBUYYKWXKH-UHFFFAOYSA-N 1 0 333.476 2.765 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000272440334 474611522 /nfs/dbraw/zinc/61/15/22/474611522.db2.gz KZCFLXMQZNTXBH-HKUYNNGSSA-N 1 0 344.503 2.768 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272493776 474614566 /nfs/dbraw/zinc/61/45/66/474614566.db2.gz RXNQTZGUGZHJQY-UGAXZCSASA-N 1 0 338.407 2.502 20 10 EFCDRO C[C@@H](NC(=O)NCc1ccccc1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272721624 474624469 /nfs/dbraw/zinc/62/44/69/474624469.db2.gz JDDDUHVZKXEDST-ZBFHGGJFSA-N 1 0 331.460 2.844 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000278404533 474634832 /nfs/dbraw/zinc/63/48/32/474634832.db2.gz OWDZDXJHFGVQNI-IUODEOHRSA-N 1 0 336.432 2.746 20 10 EFCDRO C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)C1=CC[N@H+](C)CC1 ZINC000272909095 474638894 /nfs/dbraw/zinc/63/88/94/474638894.db2.gz JJADULAQPBEMBB-OAHLLOKOSA-N 1 0 330.476 2.544 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1OC ZINC000278438561 474644083 /nfs/dbraw/zinc/64/40/83/474644083.db2.gz VILXSHYYANXJLP-BMIGLBTASA-N 1 0 349.349 2.545 20 10 EFCDRO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]Cc2ccccc2O)C1 ZINC000272967041 474653398 /nfs/dbraw/zinc/65/33/98/474653398.db2.gz QZMWOLKOGJMPAX-UHFFFAOYSA-N 1 0 349.427 2.534 20 10 EFCDRO CC(=O)c1cc(Cl)cc(CN2CCC(F)(F)[C@@H](CO)C2)c1O ZINC000291783551 474684400 /nfs/dbraw/zinc/68/44/00/474684400.db2.gz MJAURYKSNBXVQC-LLVKDONJSA-N 1 0 333.762 2.698 20 10 EFCDRO Cc1cc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)c(C)n1-c1ccccn1 ZINC000273051686 474692760 /nfs/dbraw/zinc/69/27/60/474692760.db2.gz XEGRPBFWFYKOLS-IBGZPJMESA-N 1 0 326.444 2.609 20 10 EFCDRO COc1c([O-])c(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278563487 474704114 /nfs/dbraw/zinc/70/41/14/474704114.db2.gz BQLABCXFAPSHMU-CYBMUJFWSA-N 1 0 337.420 2.663 20 10 EFCDRO COc1c([O-])c(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278563390 474704525 /nfs/dbraw/zinc/70/45/25/474704525.db2.gz BPBXFXUUPHLBSR-CYBMUJFWSA-N 1 0 337.420 2.519 20 10 EFCDRO CCCOc1ccc(CN2C[C@H](OC)C[C@H]2c2nnc(C)[nH]2)c(O)c1 ZINC000284691111 474725338 /nfs/dbraw/zinc/72/53/38/474725338.db2.gz ZBBFMFCFNNYERF-CVEARBPZSA-N 1 0 346.431 2.570 20 10 EFCDRO CCOC1CC(O)(C[NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000278595223 474727776 /nfs/dbraw/zinc/72/77/76/474727776.db2.gz ZFUPTJPZJQNZAK-VLRKGOCCSA-N 1 0 344.249 2.735 20 10 EFCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCS(=O)(=O)C1 ZINC000284765759 474759391 /nfs/dbraw/zinc/75/93/91/474759391.db2.gz MKRBCKBDENFSGZ-OAHLLOKOSA-N 1 0 325.474 2.819 20 10 EFCDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(N(C)C)c(C)c1)CC2 ZINC000293026975 474774175 /nfs/dbraw/zinc/77/41/75/474774175.db2.gz IRLFWMORFQRUMR-MOPGFXCFSA-N 1 0 332.488 2.813 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000268113585 474805272 /nfs/dbraw/zinc/80/52/72/474805272.db2.gz DCGGEVNBAGTGBW-WMLDXEAASA-N 1 0 331.460 2.797 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccccc1O ZINC000273268522 474813113 /nfs/dbraw/zinc/81/31/13/474813113.db2.gz OCCQWDQLUMTPGM-PBHICJAKSA-N 1 0 325.412 2.629 20 10 EFCDRO CCOCc1cc(C[NH2+]Cc2ccc(C)n(C)c2=O)ccc1OC ZINC000278750067 474813280 /nfs/dbraw/zinc/81/32/80/474813280.db2.gz NCSAUSANMGIIMX-UHFFFAOYSA-N 1 0 330.428 2.529 20 10 EFCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000273294520 474828403 /nfs/dbraw/zinc/82/84/03/474828403.db2.gz SUOXBLFAKUOZKI-MRXNPFEDSA-N 1 0 347.503 2.648 20 10 EFCDRO COCCN1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2O)C1 ZINC000273371175 474864521 /nfs/dbraw/zinc/86/45/21/474864521.db2.gz COAMEHXTKHVDCU-YPMHNXCESA-N 1 0 343.265 2.526 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)c1 ZINC000273373602 474866714 /nfs/dbraw/zinc/86/67/14/474866714.db2.gz GPEIANHFMOILFB-OAHLLOKOSA-N 1 0 327.428 2.783 20 10 EFCDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc2c(cc1O)OCO2 ZINC000285031776 474868834 /nfs/dbraw/zinc/86/88/34/474868834.db2.gz IJZGSIWWMDOSLO-UHFFFAOYSA-N 1 0 330.340 2.704 20 10 EFCDRO COCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273445063 474901571 /nfs/dbraw/zinc/90/15/71/474901571.db2.gz DUCFHJYBTYSCBN-OAHLLOKOSA-N 1 0 334.460 2.687 20 10 EFCDRO CC(C)N1C[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)CC1=O ZINC000273449275 474904300 /nfs/dbraw/zinc/90/43/00/474904300.db2.gz FRRYZDBNNNLPQU-JQWIXIFHSA-N 1 0 341.249 2.815 20 10 EFCDRO C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000273452806 474905913 /nfs/dbraw/zinc/90/59/13/474905913.db2.gz GIXZVYPZNVCSNL-MHNGPXOMSA-N 1 0 334.279 2.962 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)c(O)c1 ZINC000273459859 474908716 /nfs/dbraw/zinc/90/87/16/474908716.db2.gz QIBYKZJBXBIWDG-IAQYHMDHSA-N 1 0 343.349 2.535 20 10 EFCDRO Cc1nnsc1C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000292220300 474909028 /nfs/dbraw/zinc/90/90/28/474909028.db2.gz ABDJHPSTQDQYQQ-UHFFFAOYSA-N 1 0 328.235 2.913 20 10 EFCDRO COC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000273496245 474929130 /nfs/dbraw/zinc/92/91/30/474929130.db2.gz PGONXUVLJMCIMX-ZDUSSCGKSA-N 1 0 345.395 2.803 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1OC ZINC000285237477 474940803 /nfs/dbraw/zinc/94/08/03/474940803.db2.gz VWRRHWKWWUPMIB-OAHLLOKOSA-N 1 0 349.349 2.689 20 10 EFCDRO C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(Br)ccc1O ZINC000273590444 474979481 /nfs/dbraw/zinc/97/94/81/474979481.db2.gz OZXXNUWIWPBWDE-JTQLQIEISA-N 1 0 341.249 2.851 20 10 EFCDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCC1 ZINC000279653350 474983378 /nfs/dbraw/zinc/98/33/78/474983378.db2.gz FIFSNODVMQXWOA-UHFFFAOYSA-N 1 0 336.501 2.734 20 10 EFCDRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000273600290 474984884 /nfs/dbraw/zinc/98/48/84/474984884.db2.gz JFRCBBNLJSNRFH-OAHLLOKOSA-N 1 0 325.412 2.581 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000279672123 474985538 /nfs/dbraw/zinc/98/55/38/474985538.db2.gz FXYHLWWOLPPXAU-HSALFYBXSA-N 1 0 342.483 2.961 20 10 EFCDRO C[C@@H](NC(=O)c1cccc(O)c1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000279789555 474991301 /nfs/dbraw/zinc/99/13/01/474991301.db2.gz IMCVXJLWYRDKKJ-ZBFHGGJFSA-N 1 0 340.423 2.738 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000273622761 474993891 /nfs/dbraw/zinc/99/38/91/474993891.db2.gz ZOJGCTCLCDALJS-LSDHHAIUSA-N 1 0 334.460 2.950 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c(O)c1 ZINC000285389673 475000761 /nfs/dbraw/zinc/00/07/61/475000761.db2.gz DEHVUPYOFLVKAJ-CRAIPNDOSA-N 1 0 334.460 2.964 20 10 EFCDRO CC(C)NC(=O)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280070183 475007857 /nfs/dbraw/zinc/00/78/57/475007857.db2.gz XPLDMCZPLHZIML-UHFFFAOYSA-N 1 0 331.382 2.776 20 10 EFCDRO COCCOCCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280057265 475008347 /nfs/dbraw/zinc/00/83/47/475008347.db2.gz WPMJFJWKHGQHPV-UHFFFAOYSA-N 1 0 334.382 2.914 20 10 EFCDRO OC[C@@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCOC1 ZINC000280206902 475014754 /nfs/dbraw/zinc/01/47/54/475014754.db2.gz FIVQBXANZDSYSO-PKOBYXMFSA-N 1 0 327.424 2.794 20 10 EFCDRO CC[C@@H]([NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O)c1ccc(C)cc1O ZINC000280247381 475017109 /nfs/dbraw/zinc/01/71/09/475017109.db2.gz WIVRWVDVLVBOOL-CVEARBPZSA-N 1 0 342.443 2.589 20 10 EFCDRO CO[C@@]1(C)CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000280314761 475019379 /nfs/dbraw/zinc/01/93/79/475019379.db2.gz GOBZPURYXIJKFJ-FQEVSTJZSA-N 1 0 347.503 2.602 20 10 EFCDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000280298662 475019908 /nfs/dbraw/zinc/01/99/08/475019908.db2.gz ORUVJSXYXHSREP-HXUWFJFHSA-N 1 0 340.423 2.669 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)cc1F ZINC000293524752 475021637 /nfs/dbraw/zinc/02/16/37/475021637.db2.gz AASGOKPLYVUWOB-GOSISDBHSA-N 1 0 336.451 2.549 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c1O ZINC000273711369 475021560 /nfs/dbraw/zinc/02/15/60/475021560.db2.gz GHCOEUACMJJQFP-HNNXBMFYSA-N 1 0 339.794 2.887 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000285594512 475033383 /nfs/dbraw/zinc/03/33/83/475033383.db2.gz UUKFDVUQNBMTTR-INIZCTEOSA-N 1 0 347.459 2.561 20 10 EFCDRO CN(C)c1ccc(C[N@H+](CCO)C2CCOCC2)c(C(F)(F)F)c1 ZINC000280616591 475038271 /nfs/dbraw/zinc/03/82/71/475038271.db2.gz PCRBWPKZIMJNMZ-UHFFFAOYSA-N 1 0 346.393 2.745 20 10 EFCDRO CN1CCCc2cc(CNC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])ccc21 ZINC000285749664 475039135 /nfs/dbraw/zinc/03/91/35/475039135.db2.gz RWZKHTINPSMQAD-ZVBHREPYSA-N 1 0 341.499 2.839 20 10 EFCDRO CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000293570243 475040020 /nfs/dbraw/zinc/04/00/20/475040020.db2.gz DJVSZHOVUMJDCM-SJLPKXTDSA-N 1 0 333.520 2.933 20 10 EFCDRO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000268749672 475040516 /nfs/dbraw/zinc/04/05/16/475040516.db2.gz IXXPBQSOSCMSCT-HOTGVXAUSA-N 1 0 336.501 2.762 20 10 EFCDRO COCc1ccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)o1 ZINC000268768719 475041936 /nfs/dbraw/zinc/04/19/36/475041936.db2.gz CXECHPLZRKICHZ-UHFFFAOYSA-N 1 0 344.455 2.925 20 10 EFCDRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000268780999 475042310 /nfs/dbraw/zinc/04/23/10/475042310.db2.gz PTLAEUCFCQHRSE-ZAAXVRCTSA-N 1 0 347.478 2.940 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268852397 475045018 /nfs/dbraw/zinc/04/50/18/475045018.db2.gz BYNAFDLHNFTBIJ-IFXJQAMLSA-N 1 0 346.450 2.934 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3ccco3)CC2)cc1 ZINC000268833712 475045075 /nfs/dbraw/zinc/04/50/75/475045075.db2.gz OXZMIZDSBGUING-MRXNPFEDSA-N 1 0 329.444 2.761 20 10 EFCDRO C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000268838953 475046323 /nfs/dbraw/zinc/04/63/23/475046323.db2.gz MRRSYSBGSZKGGZ-PXNSSMCTSA-N 1 0 331.504 2.784 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CCSCCCO)c(C(F)(F)F)c1 ZINC000280757341 475047665 /nfs/dbraw/zinc/04/76/65/475047665.db2.gz DFMSFLHTNPIHFZ-UHFFFAOYSA-N 1 0 336.423 2.977 20 10 EFCDRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000293698118 475048992 /nfs/dbraw/zinc/04/89/92/475048992.db2.gz LFJVDGZDHOBYSJ-INIZCTEOSA-N 1 0 347.503 2.650 20 10 EFCDRO CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000286016969 475050302 /nfs/dbraw/zinc/05/03/02/475050302.db2.gz IKVSKYKSPFFJED-BZSNNMDCSA-N 1 0 336.451 2.950 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cnn(C)c1 ZINC000268885553 475051257 /nfs/dbraw/zinc/05/12/57/475051257.db2.gz YUKHTYALUVMASV-SFHVURJKSA-N 1 0 346.450 2.761 20 10 EFCDRO C[C@H]([NH2+]CCCc1cnn(C)n1)c1ccc(Br)cc1O ZINC000293777044 475052387 /nfs/dbraw/zinc/05/23/87/475052387.db2.gz SPEKTRRHVHIGIN-JTQLQIEISA-N 1 0 339.237 2.567 20 10 EFCDRO C[C@H]([NH2+]CCCc1cnn(C)n1)c1cc(Br)ccc1O ZINC000293876264 475055751 /nfs/dbraw/zinc/05/57/51/475055751.db2.gz ZZGHCDABYNYPAO-JTQLQIEISA-N 1 0 339.237 2.567 20 10 EFCDRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000286236738 475057276 /nfs/dbraw/zinc/05/72/76/475057276.db2.gz RRJOKLADYIYJPT-IAGOWNOFSA-N 1 0 335.517 2.633 20 10 EFCDRO C[C@@H]([NH2+]CCN1CC=CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000280958488 475060188 /nfs/dbraw/zinc/06/01/88/475060188.db2.gz KGLALWDXMMBBIT-MRXNPFEDSA-N 1 0 333.451 2.575 20 10 EFCDRO COC(=O)C[C@H]1CSCCN1Cc1cc(Cl)cc(OC)c1O ZINC000273807401 475060765 /nfs/dbraw/zinc/06/07/65/475060765.db2.gz YDAOMAUALXTNGV-LBPRGKRZSA-N 1 0 345.848 2.535 20 10 EFCDRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2Cc2ccc(N(C)C)c(C)c2)O1 ZINC000294307842 475066195 /nfs/dbraw/zinc/06/61/95/475066195.db2.gz XHAHCNZEMULSNW-PIKADFDJSA-N 1 0 346.471 2.744 20 10 EFCDRO CN(C)C(=O)C[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294551945 475071595 /nfs/dbraw/zinc/07/15/95/475071595.db2.gz KWWIMLHEHVRPDG-UHFFFAOYSA-N 1 0 331.485 2.905 20 10 EFCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c(O)c1 ZINC000294604547 475074147 /nfs/dbraw/zinc/07/41/47/475074147.db2.gz DJIPYZKINFORJJ-CQSZACIVSA-N 1 0 328.412 2.724 20 10 EFCDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)C1 ZINC000281133324 475083698 /nfs/dbraw/zinc/08/36/98/475083698.db2.gz DBQYJOROBFXCSU-MIGQKNRLSA-N 1 0 333.428 2.882 20 10 EFCDRO C[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@H](c1ccccc1)[NH+](C)C ZINC000294925554 475091286 /nfs/dbraw/zinc/09/12/86/475091286.db2.gz GXQILLRVYLURRA-MEDUHNTESA-N 1 0 332.375 2.658 20 10 EFCDRO Cc1cc(C(=O)NCCC[C@H]2CCC[NH2+]2)c(C)n1-c1ccccn1 ZINC000294972465 475095217 /nfs/dbraw/zinc/09/52/17/475095217.db2.gz XMWAPMNJLLHRIY-MRXNPFEDSA-N 1 0 326.444 2.751 20 10 EFCDRO CNC(=O)CC[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295017547 475098687 /nfs/dbraw/zinc/09/86/87/475098687.db2.gz ZURVNQZZRIIVNS-UHFFFAOYSA-N 1 0 331.485 2.952 20 10 EFCDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000287284441 475102548 /nfs/dbraw/zinc/10/25/48/475102548.db2.gz RRRGMOMIGSGJKJ-PBHICJAKSA-N 1 0 348.466 2.660 20 10 EFCDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000287284458 475103084 /nfs/dbraw/zinc/10/30/84/475103084.db2.gz RRRGMOMIGSGJKJ-YOEHRIQHSA-N 1 0 348.466 2.660 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CC(=O)N(C)C2)cc1 ZINC000295209482 475112326 /nfs/dbraw/zinc/11/23/26/475112326.db2.gz PXPVIMUOPLOBOT-OAHLLOKOSA-N 1 0 329.469 2.705 20 10 EFCDRO CCC[NH2+][C@H](C)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000295226880 475112984 /nfs/dbraw/zinc/11/29/84/475112984.db2.gz RMFIUIPNTQECRE-LLVKDONJSA-N 1 0 343.265 2.891 20 10 EFCDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1c(F)ccc(O)c1O ZINC000295242034 475114615 /nfs/dbraw/zinc/11/46/15/475114615.db2.gz LSVDAOLVBBPVMO-UHFFFAOYSA-N 1 0 346.402 2.961 20 10 EFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](O)C(C)(C)C3)cc2)CC1 ZINC000295734546 475133293 /nfs/dbraw/zinc/13/32/93/475133293.db2.gz MHBDBUNAUYQRBO-IBGZPJMESA-N 1 0 332.488 2.895 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)c(O)c1 ZINC000297405721 475743429 /nfs/dbraw/zinc/74/34/29/475743429.db2.gz SUNHCEJMBGSQPB-WLYUNCDWSA-N 1 0 325.474 2.955 20 10 EFCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)CC2 ZINC000297606318 475827830 /nfs/dbraw/zinc/82/78/30/475827830.db2.gz IICRLJJVIGBNMU-LRDDRELGSA-N 1 0 335.350 2.687 20 10 EFCDRO CCCCCC(=O)NC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000299585261 476143705 /nfs/dbraw/zinc/14/37/05/476143705.db2.gz RWYXAKKKIBFHNG-UHFFFAOYSA-N 1 0 348.443 2.782 20 10 EFCDRO CCC[N@H+](Cc1cc(=O)n2ccsc2n1)Cc1ccccc1O ZINC000299637672 476147061 /nfs/dbraw/zinc/14/70/61/476147061.db2.gz MJUSYBNRCHTQGU-UHFFFAOYSA-N 1 0 329.425 2.874 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[NH+](C(C)C)CC1 ZINC000350366305 476156978 /nfs/dbraw/zinc/15/69/78/476156978.db2.gz MCENMHXKHBAKNR-UHFFFAOYSA-N 1 0 328.460 2.722 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCC[NH2+]CC3)c2C)cc1 ZINC000368718371 476366897 /nfs/dbraw/zinc/36/68/97/476366897.db2.gz HCJINJUDZKRCBC-INIZCTEOSA-N 1 0 341.455 2.975 20 10 EFCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000373163767 476380676 /nfs/dbraw/zinc/38/06/76/476380676.db2.gz KLPFKAYIPZOIGZ-UKRRQHHQSA-N 1 0 342.233 2.582 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)cc1OC ZINC000373225241 476386055 /nfs/dbraw/zinc/38/60/55/476386055.db2.gz DKYQRBMHQOZEDI-CYBMUJFWSA-N 1 0 331.416 2.523 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(F)ccc1O ZINC000373256665 476388930 /nfs/dbraw/zinc/38/89/30/476388930.db2.gz QVZGIXRCJUUORW-JSGCOSHPSA-N 1 0 343.402 2.560 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(F)ccc1O ZINC000373256664 476389602 /nfs/dbraw/zinc/38/96/02/476389602.db2.gz QVZGIXRCJUUORW-GXTWGEPZSA-N 1 0 343.402 2.560 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000373257057 476389793 /nfs/dbraw/zinc/38/97/93/476389793.db2.gz RZYAMDIEUXBICS-HUUCEWRRSA-N 1 0 339.439 2.729 20 10 EFCDRO Cc1cc(Br)cc(C[NH+]2CC([C@@H]3CCOC3)C2)c1O ZINC000373466697 476404546 /nfs/dbraw/zinc/40/45/46/476404546.db2.gz PEJBUPPZSCXUPU-LLVKDONJSA-N 1 0 326.234 2.931 20 10 EFCDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)n1-c1ccccn1 ZINC000373929783 476441195 /nfs/dbraw/zinc/44/11/95/476441195.db2.gz RYAWIQXISFLZJB-SJORKVTESA-N 1 0 338.455 2.846 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1O ZINC000374256522 476463559 /nfs/dbraw/zinc/46/35/59/476463559.db2.gz NYKOLJFNJFATON-IRXDYDNUSA-N 1 0 345.443 2.613 20 10 EFCDRO COc1ccc(N2CCC[N@H+](Cc3cnc([C@H](C)O)s3)CC2)cc1 ZINC000377619576 476476993 /nfs/dbraw/zinc/47/69/93/476476993.db2.gz VCUXWEZTPRXLAK-AWEZNQCLSA-N 1 0 347.484 2.917 20 10 EFCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)c1 ZINC000377689506 476522539 /nfs/dbraw/zinc/52/25/39/476522539.db2.gz CCVKEXHEDKNFCL-DLBZAZTESA-N 1 0 348.443 2.570 20 10 EFCDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)c1O ZINC000377720493 476545272 /nfs/dbraw/zinc/54/52/72/476545272.db2.gz LTYRYFUWTJWCBS-DLBZAZTESA-N 1 0 348.443 2.570 20 10 EFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1O ZINC000374891156 476575652 /nfs/dbraw/zinc/57/56/52/476575652.db2.gz BQZYMOFMXRZAEZ-LJQANCHMSA-N 1 0 347.361 2.967 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1F ZINC000374907728 476586630 /nfs/dbraw/zinc/58/66/30/476586630.db2.gz FWQIYHFNRIYQRK-MRXNPFEDSA-N 1 0 336.451 2.909 20 10 EFCDRO CCOc1ccc(O)c(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000374909230 476587363 /nfs/dbraw/zinc/58/73/63/476587363.db2.gz JHNRTAXKOICVLL-OAHLLOKOSA-N 1 0 335.444 2.808 20 10 EFCDRO COc1cccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c1O ZINC000369990672 476618664 /nfs/dbraw/zinc/61/86/64/476618664.db2.gz HTPQCCAWUMVHTM-CQSZACIVSA-N 1 0 327.384 2.539 20 10 EFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)[C@@]12CCCO2 ZINC000375205736 476717320 /nfs/dbraw/zinc/71/73/20/476717320.db2.gz FKKCZQJTXLXSLF-INMHGKMJSA-N 1 0 341.835 2.870 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NC(C)(C)C[NH+](C)C)ccc21 ZINC000457208827 476928108 /nfs/dbraw/zinc/92/81/08/476928108.db2.gz OJTQZLOMYKZPCY-UHFFFAOYSA-N 1 0 345.487 2.975 20 10 EFCDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC000375681483 476951037 /nfs/dbraw/zinc/95/10/37/476951037.db2.gz ZJGCPNATEDQBTC-UHFFFAOYSA-N 1 0 340.423 2.754 20 10 EFCDRO Fc1cc(C[NH2+][C@H]2CCC23CCOCC3)ccc1N1CCOCC1 ZINC000375706715 476965601 /nfs/dbraw/zinc/96/56/01/476965601.db2.gz VIGBDKDBRJMLNL-SFHVURJKSA-N 1 0 334.435 2.711 20 10 EFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415958016 476976178 /nfs/dbraw/zinc/97/61/78/476976178.db2.gz NJBNDYRTRRPHFP-UHFFFAOYSA-N 1 0 326.400 2.642 20 10 EFCDRO O=C(Cc1ccco1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000371214998 477181169 /nfs/dbraw/zinc/18/11/69/477181169.db2.gz HNYLUAZHPLJZBJ-HNNXBMFYSA-N 1 0 348.830 2.962 20 10 EFCDRO Cc1cc(O)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1C ZINC000376118372 477184224 /nfs/dbraw/zinc/18/42/24/477184224.db2.gz UHURMIUKFZLBPA-UHFFFAOYSA-N 1 0 330.388 2.951 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418100820 477465274 /nfs/dbraw/zinc/46/52/74/477465274.db2.gz QMJLFFDUGPADOA-OAHLLOKOSA-N 1 0 326.444 2.523 20 10 EFCDRO Cc1cn[nH]c1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000368092233 477783552 /nfs/dbraw/zinc/78/35/52/477783552.db2.gz ZVXLQSYTVULOEX-OAHLLOKOSA-N 1 0 334.851 2.831 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000372437290 477796997 /nfs/dbraw/zinc/79/69/97/477796997.db2.gz MDWUFHLALGRGHC-AZUAARDMSA-N 1 0 327.472 2.635 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)c2C)cc1 ZINC000368378624 477802289 /nfs/dbraw/zinc/80/22/89/477802289.db2.gz PTUOVNONNMVWFR-GJZGRUSLSA-N 1 0 345.418 2.533 20 10 EFCDRO CC[N@@H+]1CCC[C@H](NC(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000471716795 478009223 /nfs/dbraw/zinc/00/92/23/478009223.db2.gz OJRJRAXESXMFKQ-HNNXBMFYSA-N 1 0 328.460 2.770 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000472221146 478012188 /nfs/dbraw/zinc/01/21/88/478012188.db2.gz MLIYUAMEMZNOCG-DNVCBOLYSA-N 1 0 340.471 2.722 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000472221143 478012355 /nfs/dbraw/zinc/01/23/55/478012355.db2.gz MLIYUAMEMZNOCG-BEFAXECRSA-N 1 0 340.471 2.722 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000472241862 478012381 /nfs/dbraw/zinc/01/23/81/478012381.db2.gz QKXWPUVKMUEUTP-UHFFFAOYSA-N 1 0 342.487 2.970 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000472242860 478014704 /nfs/dbraw/zinc/01/47/04/478014704.db2.gz PYQJZKUKSSPLLQ-INIZCTEOSA-N 1 0 342.487 2.970 20 10 EFCDRO C[NH2+]CCc1ccccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000517024485 478037980 /nfs/dbraw/zinc/03/79/80/478037980.db2.gz BOZVSTVERUNYDT-UHFFFAOYSA-N 1 0 325.368 2.560 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCCC[C@H]3[NH3+])ccc21 ZINC000579488181 478311796 /nfs/dbraw/zinc/31/17/96/478311796.db2.gz KDPNYYLWEWHJQM-QZTJIDSGSA-N 1 0 343.471 2.904 20 10 EFCDRO C[NH2+]CCc1ccccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000582968192 478732720 /nfs/dbraw/zinc/73/27/20/478732720.db2.gz OLGCEACJLDLUOI-UHFFFAOYSA-N 1 0 339.439 2.554 20 10 EFCDRO C[C@H]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c2c(O)cccc21 ZINC000592566365 478942961 /nfs/dbraw/zinc/94/29/61/478942961.db2.gz MBVCGAHPEVHKSL-QWHCGFSZSA-N 1 0 340.427 2.579 20 10 EFCDRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CC4(CCC4)c4ccccc43)c21 ZINC000592567175 478942982 /nfs/dbraw/zinc/94/29/82/478942982.db2.gz NDQJRNHUBALZHO-CQSZACIVSA-N 1 0 336.439 2.801 20 10 EFCDRO C[C@@H]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c2c(O)cccc21 ZINC000592566360 478943336 /nfs/dbraw/zinc/94/33/36/478943336.db2.gz MBVCGAHPEVHKSL-CHWSQXEVSA-N 1 0 340.427 2.579 20 10 EFCDRO Cc1cccc(CNc2ccc(C(=O)NCC[NH+](C)C)cc2)c1O ZINC000529645320 479233519 /nfs/dbraw/zinc/23/35/19/479233519.db2.gz SBYDXZZJBNMIFU-UHFFFAOYSA-N 1 0 327.428 2.604 20 10 EFCDRO C[C@]1(CO)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@]1(C)CO ZINC000529668683 479242650 /nfs/dbraw/zinc/24/26/50/479242650.db2.gz MRIRDQJXKBXAJG-GASCZTMLSA-N 1 0 334.243 2.512 20 10 EFCDRO COc1ccc(N(C)C(=O)c2cccc3c2CC[NH2+]C3)c(OC)c1 ZINC000662795158 481972877 /nfs/dbraw/zinc/97/28/77/481972877.db2.gz UPNVKAZKJVOMES-UHFFFAOYSA-N 1 0 326.396 2.626 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCCOC[C@@H]3CCCO3)CC2)cc1 ZINC000163494762 534000422 /nfs/dbraw/zinc/00/04/22/534000422.db2.gz OWJWDTOPXXFEBZ-FQEVSTJZSA-N 1 0 348.487 2.839 20 10 EFCDRO Cc1nsc(N2CCC[N@H+](Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000173411891 534504719 /nfs/dbraw/zinc/50/47/19/534504719.db2.gz VRFKNYHSXUJVCM-UHFFFAOYSA-N 1 0 332.473 2.881 20 10 EFCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000297965444 522310535 /nfs/dbraw/zinc/31/05/35/522310535.db2.gz ZMBMGXBYXBMMIZ-LRDDRELGSA-N 1 0 346.452 2.638 20 10 EFCDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000297877906 522883130 /nfs/dbraw/zinc/88/31/30/522883130.db2.gz UXMFDMFTYIDQNY-FUHWJXTLSA-N 1 0 329.396 2.720 20 10 EFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)c1O ZINC000177263046 527210418 /nfs/dbraw/zinc/21/04/18/527210418.db2.gz WQKUCCJWPLNXBE-GFCCVEGCSA-N 1 0 333.363 2.805 20 10 EFCDRO CC1(C)[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]2CCCO[C@@H]21 ZINC000174536686 527830326 /nfs/dbraw/zinc/83/03/26/527830326.db2.gz LVDHBVYPPHDOJX-SNRMKQJTSA-N 1 0 348.462 2.956 20 10 EFCDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000175640613 528252873 /nfs/dbraw/zinc/25/28/73/528252873.db2.gz MWMBMPJHEDRJGC-LJQANCHMSA-N 1 0 344.503 2.913 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]([NH3+])CC(C)C ZINC000162526378 528764667 /nfs/dbraw/zinc/76/46/67/528764667.db2.gz ZLKSZMOLGBUQHX-ZDUSSCGKSA-N 1 0 343.265 2.877 20 10 EFCDRO CCN1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000159278811 528989069 /nfs/dbraw/zinc/98/90/69/528989069.db2.gz HLHTWGWFGJMIRS-OAHLLOKOSA-N 1 0 335.467 2.797 20 10 EFCDRO CCC[NH2+]CCNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000236836122 535171348 /nfs/dbraw/zinc/17/13/48/535171348.db2.gz QAKVMQIWWMHBKI-UHFFFAOYSA-N 1 0 329.444 2.832 20 10 EFCDRO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000295912177 535203751 /nfs/dbraw/zinc/20/37/51/535203751.db2.gz JIEBDZYZFHMMDK-GOSISDBHSA-N 1 0 346.450 2.673 20 10 EFCDRO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000296014969 535204232 /nfs/dbraw/zinc/20/42/32/535204232.db2.gz PCMNJUSGVPOSGB-LJQANCHMSA-N 1 0 328.460 2.534 20 10 EFCDRO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000275369437 535406499 /nfs/dbraw/zinc/40/64/99/535406499.db2.gz VKGLFANPVIKADK-ZJUUUORDSA-N 1 0 329.238 2.638 20 10 EFCDRO CCOc1cccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)c1O ZINC000263692396 535459947 /nfs/dbraw/zinc/45/99/47/535459947.db2.gz PCHVXZRCCWZREI-UHFFFAOYSA-N 1 0 338.411 2.721 20 10 EFCDRO CC[NH+](CC)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298877675 535531467 /nfs/dbraw/zinc/53/14/67/535531467.db2.gz NFIZUYGMLIRGHL-UHFFFAOYSA-N 1 0 332.492 2.768 20 10 EFCDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000272294750 535602773 /nfs/dbraw/zinc/60/27/73/535602773.db2.gz HNMQRNAEHGCFFC-UHFFFAOYSA-N 1 0 328.412 2.870 20 10 EFCDRO CCN(C(=O)c1cccc(O)c1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193163593 535700612 /nfs/dbraw/zinc/70/06/12/535700612.db2.gz BJWYZUDOSQXIFP-MRXNPFEDSA-N 1 0 340.423 2.834 20 10 EFCDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(O)c1O ZINC000193138943 535863256 /nfs/dbraw/zinc/86/32/56/535863256.db2.gz YQMPEYMEXNGZLB-UHFFFAOYSA-N 1 0 348.830 2.955 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CCC(C[NH3+])CC3)c2C)cc1 ZINC000237504386 536550735 /nfs/dbraw/zinc/55/07/35/536550735.db2.gz MGMLYPXSFSMUEA-UHFFFAOYSA-N 1 0 341.455 2.914 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H](CO)Cc3ccccc3)CC2)cc1 ZINC000364357747 536669350 /nfs/dbraw/zinc/66/93/50/536669350.db2.gz DTQVUXUYOJZZSR-LJQANCHMSA-N 1 0 340.467 2.857 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H](CCO)c3ccco3)CC2)cc1 ZINC000376882089 536670591 /nfs/dbraw/zinc/67/05/91/536670591.db2.gz NDARXLQVSWNXSX-GOSISDBHSA-N 1 0 330.428 2.970 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3cccc(C(N)=O)c3)CC2)cc1 ZINC000237262261 536670875 /nfs/dbraw/zinc/67/08/75/536670875.db2.gz SEOHNUGAOLDQKK-UHFFFAOYSA-N 1 0 339.439 2.553 20 10 EFCDRO COC1CCN(c2ccc(C[N@H+](C)CCc3cnccn3)cc2)CC1 ZINC000296314078 536756642 /nfs/dbraw/zinc/75/66/42/536756642.db2.gz NVRTXORLNPGQTH-UHFFFAOYSA-N 1 0 340.471 2.766 20 10 EFCDRO COc1c(O)c(C[N@@H+]2CCC[C@H](OCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000365125340 536862440 /nfs/dbraw/zinc/86/24/40/536862440.db2.gz ZRXZONJZRCOJJP-AWEZNQCLSA-N 1 0 336.388 2.700 20 10 EFCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc([S@@](C)=O)cc1 ZINC000270072305 545630839 /nfs/dbraw/zinc/63/08/39/545630839.db2.gz IDYLCTOKMKSJQC-BSNNYGBQSA-N 1 0 333.409 2.709 20 10 EFCDRO CN(C)c1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC000753997439 575373142 /nfs/dbraw/zinc/37/31/42/575373142.db2.gz DBMGVAHDIMPPKN-UHFFFAOYSA-N 1 0 340.471 2.616 20 10 EFCDRO CC[N@@H+]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@@H]1C ZINC000754196596 575404974 /nfs/dbraw/zinc/40/49/74/575404974.db2.gz QHSMNUBMRKFKLZ-HNNXBMFYSA-N 1 0 326.444 2.655 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000754375997 575427106 /nfs/dbraw/zinc/42/71/06/575427106.db2.gz QCNJUTGUNMOCKG-CRAIPNDOSA-N 1 0 332.492 2.543 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](CC(=O)[O-])C(C)(C)C)cc2)CC1 ZINC000756312475 575715822 /nfs/dbraw/zinc/71/58/22/575715822.db2.gz QHBBBQJVWSHWSV-KRWDZBQOSA-N 1 0 347.503 2.665 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000756360063 575722969 /nfs/dbraw/zinc/72/29/69/575722969.db2.gz FOAHJYMGXPSJFE-CQSZACIVSA-N 1 0 345.443 2.606 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]CCc2nnc3ccccn32)c2c1c(F)ccc2O ZINC000756365167 575723990 /nfs/dbraw/zinc/72/39/90/575723990.db2.gz XHQJYCOFBVUGNV-YPMHNXCESA-N 1 0 326.375 2.955 20 10 EFCDRO COCCOc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cn1 ZINC000756431155 575738154 /nfs/dbraw/zinc/73/81/54/575738154.db2.gz BUCKPSCANJTKNI-CYBMUJFWSA-N 1 0 332.400 2.672 20 10 EFCDRO CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000756435131 575738943 /nfs/dbraw/zinc/73/89/43/575738943.db2.gz WNAWSFWJTVXYJQ-AWEZNQCLSA-N 1 0 328.412 2.676 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccn(C)n1 ZINC000756456485 575742251 /nfs/dbraw/zinc/74/22/51/575742251.db2.gz HKDFYVOXSKXGQZ-LJQANCHMSA-N 1 0 342.487 2.870 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c2cnn3CCO)c2c1c(F)ccc2O ZINC000756459905 575742657 /nfs/dbraw/zinc/74/26/57/575742657.db2.gz QBQACAXAQITHQO-KCPJHIHWSA-N 1 0 345.418 2.936 20 10 EFCDRO C[C@H]([NH2+]C[C@H](O)COCC1CC1)c1cc(Br)ccc1O ZINC000756510036 575751545 /nfs/dbraw/zinc/75/15/45/575751545.db2.gz GJOWEALOGYXWKA-GWCFXTLKSA-N 1 0 344.249 2.593 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(Br)cc1O ZINC000756510559 575751936 /nfs/dbraw/zinc/75/19/36/575751936.db2.gz KHOWBGRXXCJUFI-GXFFZTMASA-N 1 0 344.249 2.593 20 10 EFCDRO C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756531965 575756185 /nfs/dbraw/zinc/75/61/85/575756185.db2.gz BYRMZKVRKSCUFE-ZDUSSCGKSA-N 1 0 341.446 2.595 20 10 EFCDRO CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756535856 575756565 /nfs/dbraw/zinc/75/65/65/575756565.db2.gz RXTYBHPAACSUHG-KBPBESRZSA-N 1 0 341.446 2.595 20 10 EFCDRO C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(Br)cc1O ZINC000756546532 575759028 /nfs/dbraw/zinc/75/90/28/575759028.db2.gz RFUDHJRJBQOQHU-RYUDHWBXSA-N 1 0 343.265 2.526 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)N2CCC(OC)CC2)c1 ZINC000756553793 575760766 /nfs/dbraw/zinc/76/07/66/575760766.db2.gz MXWPLZPJNDBIRD-CQSZACIVSA-N 1 0 336.476 2.941 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c1 ZINC000756553728 575760903 /nfs/dbraw/zinc/76/09/03/575760903.db2.gz HXHMHPAZPIEIQU-CQSZACIVSA-N 1 0 349.452 2.834 20 10 EFCDRO C[C@H]1C[C@H]([NH2+]Cc2cccc(OCC(N)=O)c2)c2c1c(F)ccc2O ZINC000756608728 575767396 /nfs/dbraw/zinc/76/73/96/575767396.db2.gz LCENNOGHRJFYTM-NHYWBVRUSA-N 1 0 344.386 2.734 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC(N)=O)c2)c2c1c(F)ccc2O ZINC000756608726 575767410 /nfs/dbraw/zinc/76/74/10/575767410.db2.gz LCENNOGHRJFYTM-ABAIWWIYSA-N 1 0 344.386 2.734 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC000756661168 575773982 /nfs/dbraw/zinc/77/39/82/575773982.db2.gz YYYNYRYYRHHBJI-ZFWWWQNUSA-N 1 0 332.444 2.843 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1ccc(Br)cc1O ZINC000756704053 575779096 /nfs/dbraw/zinc/77/90/96/575779096.db2.gz DWYRJHKJIGMHRP-SNVBAGLBSA-N 1 0 341.249 2.864 20 10 EFCDRO CCn1cnnc1CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000756732199 575781966 /nfs/dbraw/zinc/78/19/66/575781966.db2.gz IFBOBCBXIGEHEJ-JTQLQIEISA-N 1 0 339.237 2.659 20 10 EFCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000756774616 575785887 /nfs/dbraw/zinc/78/58/87/575785887.db2.gz KNAKCKUTEJXFBF-UFGOTCBOSA-N 1 0 341.249 2.720 20 10 EFCDRO C[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cc(Cl)ccc1O ZINC000756837961 575790571 /nfs/dbraw/zinc/79/05/71/575790571.db2.gz KHVIEAGBDCBFPC-PGUXBMHVSA-N 1 0 348.834 2.624 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)c2c1c(F)ccc2O ZINC000756863713 575794695 /nfs/dbraw/zinc/79/46/95/575794695.db2.gz KIHNTOYRHKVOBV-YRGRVCCFSA-N 1 0 337.391 2.591 20 10 EFCDRO COCC1(O)CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000758374023 575868066 /nfs/dbraw/zinc/86/80/66/575868066.db2.gz ZILQXFCSSYNEJL-UHFFFAOYSA-N 1 0 345.439 2.991 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000758502152 575871041 /nfs/dbraw/zinc/87/10/41/575871041.db2.gz JTYBYDKFXBBGSN-INIZCTEOSA-N 1 0 346.519 2.933 20 10 EFCDRO COc1cccc(O)c1C[NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000758526586 575871623 /nfs/dbraw/zinc/87/16/23/575871623.db2.gz XTDFINZKQPOLOH-QFBILLFUSA-N 1 0 331.387 2.796 20 10 EFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000758727873 575876427 /nfs/dbraw/zinc/87/64/27/575876427.db2.gz AQBZOBYOIUSQMC-SFHVURJKSA-N 1 0 344.503 2.743 20 10 EFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000758848709 575878656 /nfs/dbraw/zinc/87/86/56/575878656.db2.gz OOIKMACYIAQQPN-KRWDZBQOSA-N 1 0 332.492 2.768 20 10 EFCDRO CC(C)[N@@H+]1CCCN(C(=O)NCCCSc2nccs2)CC1 ZINC000759590309 575905365 /nfs/dbraw/zinc/90/53/65/575905365.db2.gz IVVOCUHSYHCKEZ-UHFFFAOYSA-N 1 0 342.534 2.751 20 10 EFCDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000759601536 575907529 /nfs/dbraw/zinc/90/75/29/575907529.db2.gz NWKBJMAFDPRGJP-ZWKOTPCHSA-N 1 0 347.503 2.552 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)C(=O)NC[C@H]2CCCO2)cc1 ZINC000759643018 575914618 /nfs/dbraw/zinc/91/46/18/575914618.db2.gz KIRLXNWQKYFALV-VQIMIIECSA-N 1 0 347.503 2.648 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000759643008 575914647 /nfs/dbraw/zinc/91/46/47/575914647.db2.gz KIRLXNWQKYFALV-LPHOPBHVSA-N 1 0 347.503 2.648 20 10 EFCDRO COCCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000760019120 575972423 /nfs/dbraw/zinc/97/24/23/575972423.db2.gz TZUSVQBOBDEDIB-AWEZNQCLSA-N 1 0 349.452 2.663 20 10 EFCDRO C[C@@H]([NH2+][C@@H](CO)CC(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000760035704 575974347 /nfs/dbraw/zinc/97/43/47/575974347.db2.gz CPNWACIUHVKMFS-VXGBXAGGSA-N 1 0 348.821 2.843 20 10 EFCDRO CN(C)c1ccc(C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C2CC2)cc1 ZINC000760816510 576077082 /nfs/dbraw/zinc/07/70/82/576077082.db2.gz GODQGKCLNLJMBP-INIZCTEOSA-N 1 0 336.501 2.542 20 10 EFCDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000760883221 576084772 /nfs/dbraw/zinc/08/47/72/576084772.db2.gz ARZXGWAAWMSTEI-WDBKCZKBSA-N 1 0 344.249 2.999 20 10 EFCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000760883195 576084777 /nfs/dbraw/zinc/08/47/77/576084777.db2.gz AQHVHHFGHBQUKD-RIEGTJTDSA-N 1 0 344.249 2.999 20 10 EFCDRO CN(C)c1ccc(CN(C(=O)C[N@H+](C)[C@H]2CCSC2)C2CC2)cc1 ZINC000760888169 576085258 /nfs/dbraw/zinc/08/52/58/576085258.db2.gz RNRCWTLWHJWSMO-SFHVURJKSA-N 1 0 347.528 2.681 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c1O ZINC000761199348 576128351 /nfs/dbraw/zinc/12/83/51/576128351.db2.gz LRKBRGACVHSNLP-CQSZACIVSA-N 1 0 338.835 2.641 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)c1O ZINC000761213523 576130476 /nfs/dbraw/zinc/13/04/76/576130476.db2.gz AKGAPQYZRUVTLF-UHFFFAOYSA-N 1 0 346.814 2.630 20 10 EFCDRO Oc1ccc2ccncc2c1C[NH+]1CCN(c2ncccc2F)CC1 ZINC000761299649 576142896 /nfs/dbraw/zinc/14/28/96/576142896.db2.gz NYQAHIUUSBFFNA-UHFFFAOYSA-N 1 0 338.386 2.797 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+]CCC2CC(O)C2)ccc1N1CCCCC1 ZINC000762504950 576309528 /nfs/dbraw/zinc/30/95/28/576309528.db2.gz ZUHPFGVFXMFLBI-UHFFFAOYSA-N 1 0 333.432 2.836 20 10 EFCDRO C[C@@H]([NH2+]CCC1CC(O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000762652748 576321488 /nfs/dbraw/zinc/32/14/88/576321488.db2.gz XWBYDNQRJFABJI-VQCLRJIVSA-N 1 0 338.879 2.988 20 10 EFCDRO C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762789412 576331473 /nfs/dbraw/zinc/33/14/73/576331473.db2.gz UVGGYPFJCMFFMD-KXBFYZLASA-N 1 0 335.467 2.533 20 10 EFCDRO CO[C@]1(C[NH2+][C@H](C)c2ccc(Br)cc2O)CCOC1 ZINC000763572743 576381552 /nfs/dbraw/zinc/38/15/52/576381552.db2.gz OKTRXGRMQVOFCU-YGRLFVJLSA-N 1 0 330.222 2.611 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]CCCN2CCCO[C@@H](C)C2)c1O ZINC000763661166 576385039 /nfs/dbraw/zinc/38/50/39/576385039.db2.gz NNIHOEUNZZSSMX-ZDUSSCGKSA-N 1 0 342.867 2.645 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000763926431 576411123 /nfs/dbraw/zinc/41/11/23/576411123.db2.gz PVXYWUCCJZRNCB-QGZVFWFLSA-N 1 0 335.517 2.586 20 10 EFCDRO c1cnc(N2CCC([NH2+]Cc3ccc(N4CCCC4)cc3)CC2)cn1 ZINC000764901935 576520159 /nfs/dbraw/zinc/52/01/59/576520159.db2.gz KSRLOOYGHIZEIM-UHFFFAOYSA-N 1 0 337.471 2.835 20 10 EFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C(C3CC3)C3CC3)cc2)C1 ZINC000765243294 577022488 /nfs/dbraw/zinc/02/24/88/577022488.db2.gz JPUIYMZNTDQEAO-KRWDZBQOSA-N 1 0 327.472 2.667 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CCOCC1 ZINC000765288198 577027736 /nfs/dbraw/zinc/02/77/36/577027736.db2.gz WHTWTWNJVSZION-CQSZACIVSA-N 1 0 336.451 2.692 20 10 EFCDRO C[C@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000765287994 577027748 /nfs/dbraw/zinc/02/77/48/577027748.db2.gz ITKVLLYLMVOFHM-KSSFIOAISA-N 1 0 332.419 2.982 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccccc1O ZINC000765313111 577031192 /nfs/dbraw/zinc/03/11/92/577031192.db2.gz BIFQAEXUJDZKGE-QAPCUYQASA-N 1 0 339.439 2.712 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@H](C)Cn3ccnc3)CC2)cc1 ZINC000765417989 577040167 /nfs/dbraw/zinc/04/01/67/577040167.db2.gz XNBHDBBWOLTXSX-INIZCTEOSA-N 1 0 328.460 2.786 20 10 EFCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NC1CCCC1 ZINC000765422601 577040721 /nfs/dbraw/zinc/04/07/21/577040721.db2.gz AJYJHMFGLCTADD-HZPDHXFCSA-N 1 0 345.487 2.621 20 10 EFCDRO CCCC(CCC)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978110 577094625 /nfs/dbraw/zinc/09/46/25/577094625.db2.gz LGKZXJRTTRPFPN-UHFFFAOYSA-N 1 0 338.517 2.980 20 10 EFCDRO C[C@H](CC1CCC1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978254 577094743 /nfs/dbraw/zinc/09/47/43/577094743.db2.gz NGYDYPULNKKVDC-OAHLLOKOSA-N 1 0 336.501 2.590 20 10 EFCDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979190 577094747 /nfs/dbraw/zinc/09/47/47/577094747.db2.gz JEZQTTRTUQSLHN-QAPCUYQASA-N 1 0 336.501 2.590 20 10 EFCDRO CCc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)[nH]n1 ZINC000766005630 577097685 /nfs/dbraw/zinc/09/76/85/577097685.db2.gz WWRAPMFKTZRZMC-CYBMUJFWSA-N 1 0 332.423 2.799 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766166784 577115823 /nfs/dbraw/zinc/11/58/23/577115823.db2.gz SOOHTKKBLFUROU-ZOBUZTSGSA-N 1 0 335.467 2.796 20 10 EFCDRO Fc1cc(C[NH2+]C[C@@H]2CCCCN2C2CC2)ccc1N1CCOCC1 ZINC000766226601 577123935 /nfs/dbraw/zinc/12/39/35/577123935.db2.gz SIXCMSZLRLFOLK-SFHVURJKSA-N 1 0 347.478 2.769 20 10 EFCDRO C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766383300 577142971 /nfs/dbraw/zinc/14/29/71/577142971.db2.gz ROXQQIFMINANIS-HOTGVXAUSA-N 1 0 335.467 2.655 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCc4c[nH]nc4C3)CC2)cc1 ZINC000766585936 577169347 /nfs/dbraw/zinc/16/93/47/577169347.db2.gz YVCXIOUZOPPHLM-MRXNPFEDSA-N 1 0 326.444 2.534 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccn1 ZINC000766726630 577179848 /nfs/dbraw/zinc/17/98/48/577179848.db2.gz VSSYADKEDJDGLQ-DOTOQJQBSA-N 1 0 338.455 2.634 20 10 EFCDRO COCC[N@H+](C)CCCC1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000767152595 577197878 /nfs/dbraw/zinc/19/78/78/577197878.db2.gz FMXFPWIEZVIPPB-UHFFFAOYSA-N 1 0 340.489 2.664 20 10 EFCDRO COc1cc(OC)c(C[NH2+]Cc2cccc(OC)c2O)c(OC)c1 ZINC000725845626 577246559 /nfs/dbraw/zinc/24/65/59/577246559.db2.gz GWICHIANJPCKTM-UHFFFAOYSA-N 1 0 333.384 2.716 20 10 EFCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000725845278 577246561 /nfs/dbraw/zinc/24/65/61/577246561.db2.gz SCVHUVICWJGAPT-UHFFFAOYSA-N 1 0 328.803 2.975 20 10 EFCDRO COc1cccc(N2CC[NH+](Cc3c(O)cccc3OC)CC2)c1 ZINC000768171684 577259277 /nfs/dbraw/zinc/25/92/77/577259277.db2.gz GNJUPJIQSHLVCI-UHFFFAOYSA-N 1 0 328.412 2.732 20 10 EFCDRO c1cc(N2CCOCC2)ccc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000768240501 577262543 /nfs/dbraw/zinc/26/25/43/577262543.db2.gz WJOWXKZOPDOOBM-UHFFFAOYSA-N 1 0 343.515 2.974 20 10 EFCDRO C[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000725893717 577273585 /nfs/dbraw/zinc/27/35/85/577273585.db2.gz SXQCGZRVFUOMFF-OWCLPIDISA-N 1 0 329.488 2.947 20 10 EFCDRO C[N@H+](CCCOc1ccc(F)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440223 577273826 /nfs/dbraw/zinc/27/38/26/577273826.db2.gz UMDQREWFRBWZMZ-SFHVURJKSA-N 1 0 347.386 2.858 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCCN(c3ccccc3)CC1)[C@H](O)CO2 ZINC000768444973 577273965 /nfs/dbraw/zinc/27/39/65/577273965.db2.gz ZVGHFOWSGNYBJR-LJQANCHMSA-N 1 0 340.423 2.530 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c(O)cc1C ZINC000768445719 577274397 /nfs/dbraw/zinc/27/43/97/577274397.db2.gz GSIDKSGJQOLWSJ-INIZCTEOSA-N 1 0 332.444 2.686 20 10 EFCDRO CCC[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000768446396 577274599 /nfs/dbraw/zinc/27/45/99/577274599.db2.gz NQOYXRIESXKKMV-IVJVFBROSA-N 1 0 347.455 2.844 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](c3ccccc3F)C1)[C@@H](O)CO2 ZINC000768448538 577274724 /nfs/dbraw/zinc/27/47/24/577274724.db2.gz CLRYNIPODYJWBH-SGTLLEGYSA-N 1 0 329.371 2.947 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3cccc(F)c3)C1)[C@H](O)CO2 ZINC000768452704 577275096 /nfs/dbraw/zinc/27/50/96/577275096.db2.gz QVDBSFMPELSEEE-FZKQIMNGSA-N 1 0 329.371 2.947 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCCO[C@@H](c3ccccc3)C1)[C@@H](O)CO2 ZINC000768453433 577275282 /nfs/dbraw/zinc/27/52/82/577275282.db2.gz XHJQZURMYMBWCM-AZUAARDMSA-N 1 0 341.407 2.782 20 10 EFCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)C12CCC2 ZINC000768461288 577275766 /nfs/dbraw/zinc/27/57/66/577275766.db2.gz ACLQZKFJCBQSOP-KBAYOESNSA-N 1 0 333.428 2.598 20 10 EFCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)C12CCC2 ZINC000768461289 577275792 /nfs/dbraw/zinc/27/57/92/577275792.db2.gz ACLQZKFJCBQSOP-RYQLBKOJSA-N 1 0 333.428 2.598 20 10 EFCDRO CCOc1cccc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)n1 ZINC000768892883 577314796 /nfs/dbraw/zinc/31/47/96/577314796.db2.gz NSAHYUBDVRBMOJ-UHFFFAOYSA-N 1 0 327.428 2.817 20 10 EFCDRO C[N@H+](Cc1cccc(C(N)=O)c1)Cc1cc(Br)ccc1O ZINC000768925974 577317104 /nfs/dbraw/zinc/31/71/04/577317104.db2.gz KGLPZDBAYAARAR-UHFFFAOYSA-N 1 0 349.228 2.886 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000768985037 577322528 /nfs/dbraw/zinc/32/25/28/577322528.db2.gz NYTZUUXPUDXWSO-UHFFFAOYSA-N 1 0 326.396 2.918 20 10 EFCDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 ZINC000769108125 577334754 /nfs/dbraw/zinc/33/47/54/577334754.db2.gz LMACCHNPNDYWFH-JZXOWHBKSA-N 1 0 349.494 2.965 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c(O)c1 ZINC000769206472 577344471 /nfs/dbraw/zinc/34/44/71/577344471.db2.gz LIOZEPZUWDMLDF-OAHLLOKOSA-N 1 0 334.460 2.775 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CCCN(C(=O)OCC(C)C)CC1 ZINC000769224697 577345565 /nfs/dbraw/zinc/34/55/65/577345565.db2.gz AMUVPLZXQMPXGI-UHFFFAOYSA-N 1 0 336.432 2.701 20 10 EFCDRO CC[NH+]1CCC(CNC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000726098227 577350507 /nfs/dbraw/zinc/35/05/07/577350507.db2.gz VKMLWLNONNXVCF-UHFFFAOYSA-N 1 0 344.503 2.818 20 10 EFCDRO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1c(O)cccc1OC ZINC000769399373 577359255 /nfs/dbraw/zinc/35/92/55/577359255.db2.gz IGUFUFGUJVKOLQ-UHFFFAOYSA-N 1 0 345.395 2.778 20 10 EFCDRO O=[N+]([O-])c1cc(C[N@@H+](CCCO)C2CC2)ccc1N1CCCCC1 ZINC000769404807 577359935 /nfs/dbraw/zinc/35/99/35/577359935.db2.gz QFBAMWNREKXKLB-UHFFFAOYSA-N 1 0 333.432 2.932 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)CCC3CC3)CC2)cc1 ZINC000769413559 577360820 /nfs/dbraw/zinc/36/08/20/577360820.db2.gz JBFSGKNQNGDMGV-KRWDZBQOSA-N 1 0 331.504 2.986 20 10 EFCDRO O=[N+]([O-])c1cc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)ccc1N1CCCCC1 ZINC000769443188 577362536 /nfs/dbraw/zinc/36/25/36/577362536.db2.gz RQFLOCURRSRTHP-DLBZAZTESA-N 1 0 344.459 2.769 20 10 EFCDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000769470635 577365084 /nfs/dbraw/zinc/36/50/84/577365084.db2.gz MLYQOMSBTQJHAE-SJLPKXTDSA-N 1 0 349.494 2.967 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC(N(C)CC(F)F)CC2)c(O)c1 ZINC000769508005 577368215 /nfs/dbraw/zinc/36/82/15/577368215.db2.gz BYLUKDOXWPUVSP-UHFFFAOYSA-N 1 0 328.403 2.952 20 10 EFCDRO COc1ccc(N2CC[NH+](Cc3c(O)cccc3OC)CC2)cc1F ZINC000770303816 577410606 /nfs/dbraw/zinc/41/06/06/577410606.db2.gz ZDDYAQFTQFWAIZ-UHFFFAOYSA-N 1 0 346.402 2.871 20 10 EFCDRO CCOC(=O)N(C)C1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000726967007 577425862 /nfs/dbraw/zinc/42/58/62/577425862.db2.gz SSVZZNKJMNCSPS-UHFFFAOYSA-N 1 0 343.427 2.993 20 10 EFCDRO COC(=O)c1ccc(N2CC[N@H+](Cc3ccccc3O)[C@H](C)C2)cc1 ZINC000770510182 581104632 /nfs/dbraw/zinc/10/46/32/581104632.db2.gz LMVUNDVJMBPOED-OAHLLOKOSA-N 1 0 340.423 2.890 20 10 EFCDRO Oc1cc2c(cc1C[NH+]1CCC(Cc3cccnc3)CC1)[C@@H](O)CO2 ZINC000770663771 581122822 /nfs/dbraw/zinc/12/28/22/581122822.db2.gz DXDMNAHCXTUYQI-IBGZPJMESA-N 1 0 340.423 2.668 20 10 EFCDRO C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000771512101 581219631 /nfs/dbraw/zinc/21/96/31/581219631.db2.gz XUWGCDJRCBWJIA-CATUGYQESA-N 1 0 340.423 2.919 20 10 EFCDRO CN1C(=O)c2ccccc2N[C@@H]1c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771522130 581220186 /nfs/dbraw/zinc/22/01/86/581220186.db2.gz ZHMJMFUCGUEEPE-IBGZPJMESA-N 1 0 336.439 2.635 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccc(N(C)C)cc1 ZINC000773040045 581389991 /nfs/dbraw/zinc/38/99/91/581389991.db2.gz INYYHDGZJUXEMS-AWEZNQCLSA-N 1 0 344.480 2.933 20 10 EFCDRO C[C@H]([NH2+][C@H](CO)CC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000773107566 581396817 /nfs/dbraw/zinc/39/68/17/581396817.db2.gz XPZBJEISVVCLFI-ZFWWWQNUSA-N 1 0 338.879 2.988 20 10 EFCDRO CN1CCC2(CC[NH+](Cc3cc(C(C)(C)C)cc(O)c3O)CC2)C1=O ZINC000773329059 581419588 /nfs/dbraw/zinc/41/95/88/581419588.db2.gz ZICNILOPUPVOAM-UHFFFAOYSA-N 1 0 346.471 2.840 20 10 EFCDRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773369783 581423615 /nfs/dbraw/zinc/42/36/15/581423615.db2.gz CKZAHQUDDRKURG-JKSUJKDBSA-N 1 0 332.492 2.845 20 10 EFCDRO C[C@H](NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773371710 581423920 /nfs/dbraw/zinc/42/39/20/581423920.db2.gz ULTWRLWRZUALTB-YCPHGPKFSA-N 1 0 330.476 2.738 20 10 EFCDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773369716 581423965 /nfs/dbraw/zinc/42/39/65/581423965.db2.gz XLYVQDSWJZVKEK-CVEARBPZSA-N 1 0 332.492 2.843 20 10 EFCDRO C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC000773400653 581427082 /nfs/dbraw/zinc/42/70/82/581427082.db2.gz ANLPXNJNBPPEFM-YXJHDRRASA-N 1 0 332.492 2.986 20 10 EFCDRO C[C@@H](NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1)c1ccc(N(C)C)cc1 ZINC000773434750 581430504 /nfs/dbraw/zinc/43/05/04/581430504.db2.gz BXEUHAKYMRQODR-HUUCEWRRSA-N 1 0 330.476 2.763 20 10 EFCDRO C[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1=CC[N@H+](C)CC1 ZINC000773434752 581430582 /nfs/dbraw/zinc/43/05/82/581430582.db2.gz BXEUHAKYMRQODR-LSDHHAIUSA-N 1 0 330.476 2.763 20 10 EFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C[C@H]1C ZINC000773616079 581450989 /nfs/dbraw/zinc/45/09/89/581450989.db2.gz HGNCQDUSHTXRQA-PMPSAXMXSA-N 1 0 332.492 2.938 20 10 EFCDRO CCN(C)c1ccc(C[NH+]2CCC(N3CCCNC3=O)CC2)cc1 ZINC000773783322 581464234 /nfs/dbraw/zinc/46/42/34/581464234.db2.gz CYAFFPGHLNAWJH-UHFFFAOYSA-N 1 0 330.476 2.522 20 10 EFCDRO CCN(C)c1ccc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)cc1 ZINC000773804952 581465174 /nfs/dbraw/zinc/46/51/74/581465174.db2.gz FGWBCLWNBWTZNG-IBGZPJMESA-N 1 0 342.487 2.822 20 10 EFCDRO CCN(C)c1ccc(C[NH+]2CCN(c3cncc(F)c3)CC2)cc1 ZINC000773807054 581465527 /nfs/dbraw/zinc/46/55/27/581465527.db2.gz IKXHYUYVFGUIMF-UHFFFAOYSA-N 1 0 328.435 2.999 20 10 EFCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1 ZINC000773825022 581466493 /nfs/dbraw/zinc/46/64/93/581466493.db2.gz WBMCDUXJDWYGBC-WOJBJXKFSA-N 1 0 342.487 2.964 20 10 EFCDRO C[C@H]([NH2+]CCOCC[NH+](C)C)c1cc(Br)c(F)cc1[O-] ZINC000774383608 581490622 /nfs/dbraw/zinc/49/06/22/581490622.db2.gz ZCYRZIOXECLZOL-JTQLQIEISA-N 1 0 349.244 2.523 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820431845 599394784 /nfs/dbraw/zinc/39/47/84/599394784.db2.gz IRKSKLYLGBOTJF-GFCCVEGCSA-N 1 0 340.406 2.923 20 10 EFCDRO C[NH+](C)C[C@@H]1CC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000737365357 600426529 /nfs/dbraw/zinc/42/65/29/600426529.db2.gz LDQATUDLMWCUMU-ZDUSSCGKSA-N 1 0 328.412 2.627 20 10 EFCDRO CC(C)[NH+]1CCC(NC(=O)CSc2ncc(Cl)s2)CC1 ZINC000850000067 1250214982 /nfs/dbraw/zinc/21/49/82/1250214982.db2.gz IHTNWLSUTHRKEA-UHFFFAOYSA-N 1 0 333.910 2.878 20 10 EFCDRO COc1cc(CNCc2nnc3n2CCC3)c(O)c(C(C)(C)C)c1 ZINC000850023952 1250232507 /nfs/dbraw/zinc/23/25/07/1250232507.db2.gz KWHITMVYQSPRPQ-UHFFFAOYSA-N 1 0 330.432 2.526 20 10 EFCDRO CC(C)n1ccnc1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000850073192 1250257663 /nfs/dbraw/zinc/25/76/63/1250257663.db2.gz XQYOAAMUMNNSSG-UHFFFAOYSA-N 1 0 342.487 2.963 20 10 EFCDRO Cc1nc(CNCc2ccc(N3CCC(CO)CC3)cc2)[nH]c1C ZINC000850072539 1250258283 /nfs/dbraw/zinc/25/82/83/1250258283.db2.gz AYFMFHIEXSHWES-UHFFFAOYSA-N 1 0 328.460 2.525 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccnn1CC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000850077112 1250265665 /nfs/dbraw/zinc/26/56/65/1250265665.db2.gz JQHRQNFVYZDZPR-MRXNPFEDSA-N 1 0 340.471 2.981 20 10 EFCDRO Cc1ncc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1C ZINC000850137156 1250309042 /nfs/dbraw/zinc/30/90/42/1250309042.db2.gz KTTHVTDFYIDJHS-INIZCTEOSA-N 1 0 348.878 2.842 20 10 EFCDRO COc1cc(C[NH2+][C@@H](CCO)CSC)c(O)c(C(C)(C)C)c1 ZINC000850155096 1250319967 /nfs/dbraw/zinc/31/99/67/1250319967.db2.gz NCTARIRIITZAQR-ZDUSSCGKSA-N 1 0 327.490 2.902 20 10 EFCDRO COc1cc(C[NH2+][C@H](C)[C@H]2CN(C)CCO2)c(O)c(C(C)(C)C)c1 ZINC000850198652 1250349654 /nfs/dbraw/zinc/34/96/54/1250349654.db2.gz LCUJEYQHNBHZJF-CXAGYDPISA-N 1 0 336.476 2.507 20 10 EFCDRO COc1cc(C[NH2+][C@H](CO)C2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850243147 1250372010 /nfs/dbraw/zinc/37/20/10/1250372010.db2.gz UGEUWTGOYJEXER-QGZVFWFLSA-N 1 0 337.460 2.575 20 10 EFCDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850246149 1250374851 /nfs/dbraw/zinc/37/48/51/1250374851.db2.gz GFLLUBQZGUYOLB-SJORKVTESA-N 1 0 337.460 2.982 20 10 EFCDRO COCC[C@]1([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CCOC1 ZINC000850281735 1250396022 /nfs/dbraw/zinc/39/60/22/1250396022.db2.gz YFFRBVJBGKKBOR-IBGZPJMESA-N 1 0 337.460 2.984 20 10 EFCDRO COc1cc(C[NH2+][C@H](CO)[C@H]2CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000850325739 1250428943 /nfs/dbraw/zinc/42/89/43/1250428943.db2.gz BKADCFAGIBFPGS-SUMWQHHRSA-N 1 0 337.460 2.575 20 10 EFCDRO COc1cc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000850325733 1250429259 /nfs/dbraw/zinc/42/92/59/1250429259.db2.gz BKADCFAGIBFPGS-CXAGYDPISA-N 1 0 337.460 2.575 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccnn3CC3CC3)C2)cc1 ZINC000850329927 1250433635 /nfs/dbraw/zinc/43/36/35/1250433635.db2.gz GJQLAENKCQPESG-KRWDZBQOSA-N 1 0 340.471 2.918 20 10 EFCDRO COc1cc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850339290 1250439292 /nfs/dbraw/zinc/43/92/92/1250439292.db2.gz PAZWUXWHGFXWGK-ZDUSSCGKSA-N 1 0 346.471 2.799 20 10 EFCDRO COc1cc(C[NH2+]CC[C@]2(O)CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000850338995 1250439507 /nfs/dbraw/zinc/43/95/07/1250439507.db2.gz MOYLDWAMBXXKAO-LJQANCHMSA-N 1 0 337.460 2.720 20 10 EFCDRO COc1cc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850339287 1250439574 /nfs/dbraw/zinc/43/95/74/1250439574.db2.gz PAZWUXWHGFXWGK-CYBMUJFWSA-N 1 0 346.471 2.799 20 10 EFCDRO COc1ccc(C[NH2+]CC2(S(C)(=O)=O)CCCCC2)cc1C ZINC000850376911 1250454489 /nfs/dbraw/zinc/45/44/89/1250454489.db2.gz NUCJAJHRSHRBCT-UHFFFAOYSA-N 1 0 325.474 2.841 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+]CC2(CC(=O)NC)CCCCC2)c1 ZINC000850399754 1250465808 /nfs/dbraw/zinc/46/58/08/1250465808.db2.gz QKOWCUVAPKDBHG-UHFFFAOYSA-N 1 0 334.460 2.967 20 10 EFCDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000850405457 1250469966 /nfs/dbraw/zinc/46/99/66/1250469966.db2.gz OHQISOQIQADTAV-UHFFFAOYSA-N 1 0 341.411 2.846 20 10 EFCDRO COc1cccc(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)c1O ZINC000850418718 1250476061 /nfs/dbraw/zinc/47/60/61/1250476061.db2.gz PLXIOYQJYTZQJV-CYBMUJFWSA-N 1 0 327.302 2.641 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCCn4nccc43)cc2F)CC1 ZINC000850426909 1250481416 /nfs/dbraw/zinc/48/14/16/1250481416.db2.gz HJRWBCBDIPCGSL-KRWDZBQOSA-N 1 0 344.434 2.608 20 10 EFCDRO COc1ccc(N2C[C@H]([NH2+][C@H]3CCc4cccc(O)c43)CC2=O)cc1 ZINC000850515730 1250519001 /nfs/dbraw/zinc/51/90/01/1250519001.db2.gz OBKNZKLHHKOTCL-PBHICJAKSA-N 1 0 338.407 2.783 20 10 EFCDRO C[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565869 1250538671 /nfs/dbraw/zinc/53/86/71/1250538671.db2.gz IPMXDDYRGALOEE-INIZCTEOSA-N 1 0 332.488 2.943 20 10 EFCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]2CCO[C@@H]21 ZINC000850565937 1250538994 /nfs/dbraw/zinc/53/89/94/1250538994.db2.gz JTFVWEIGJDIRTP-OTWHNJEPSA-N 1 0 330.472 2.551 20 10 EFCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H]2CCCO[C@@H]21 ZINC000850568247 1250540709 /nfs/dbraw/zinc/54/07/09/1250540709.db2.gz SWPXFNUDIKXKLM-AQNXPRMDSA-N 1 0 344.499 2.941 20 10 EFCDRO Cc1ncncc1[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850569166 1250540831 /nfs/dbraw/zinc/54/08/31/1250540831.db2.gz WEVDBXBBWLAYFC-AWEZNQCLSA-N 1 0 326.444 2.597 20 10 EFCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@@H]([NH3+])CC3CCCCC3)C2)cc1 ZINC000851639608 1251162543 /nfs/dbraw/zinc/16/25/43/1251162543.db2.gz ICGBJKQQVBBADU-APWZRJJASA-N 1 0 345.487 2.688 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000851655428 1251178271 /nfs/dbraw/zinc/17/82/71/1251178271.db2.gz VDNWWOXUESZQQV-SFHVURJKSA-N 1 0 344.503 2.674 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NCC[C@@H]([NH3+])C(C)C)cc1F ZINC000851656177 1251180239 /nfs/dbraw/zinc/18/02/39/1251180239.db2.gz FSHMFKYXJZUWHI-MRXNPFEDSA-N 1 0 338.471 2.845 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+](C)CCc2nnn(C(C)(C)C)n2)cc1 ZINC000851717238 1251219830 /nfs/dbraw/zinc/21/98/30/1251219830.db2.gz UVOAEJAUYCWAGC-UHFFFAOYSA-N 1 0 344.507 2.949 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[C@@H]3C)CC2(C)C)cc1C ZINC000996157084 1255058639 /nfs/dbraw/zinc/05/86/39/1255058639.db2.gz DDMJCOJRPNUJIY-QANKJYHBSA-N 1 0 330.472 2.986 20 10 EFCDRO CCC[NH2+][C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1(C)C ZINC000996689001 1255747805 /nfs/dbraw/zinc/74/78/05/1255747805.db2.gz OARNYBSKMRIGJG-AWEZNQCLSA-N 1 0 331.420 2.699 20 10 EFCDRO CC1(C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1[NH2+]CC1CC1 ZINC000996689040 1255747874 /nfs/dbraw/zinc/74/78/74/1255747874.db2.gz OHSKKKHFDBWGOR-OAHLLOKOSA-N 1 0 343.431 2.699 20 10 EFCDRO CC(C)[NH2+][C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1(C)C ZINC000996693557 1255756675 /nfs/dbraw/zinc/75/66/75/1255756675.db2.gz ZBKBCVFDLPDPPX-CQSZACIVSA-N 1 0 331.420 2.698 20 10 EFCDRO COc1cccc(O)c1C[NH2+]CCn1nc(C(F)(F)F)cc1C ZINC000922429596 1266000246 /nfs/dbraw/zinc/00/02/46/1266000246.db2.gz NHKAUJLLIYVLOM-UHFFFAOYSA-N 1 0 329.322 2.714 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H](C)CO3)CC2)cc1C ZINC000996819431 1256177649 /nfs/dbraw/zinc/17/76/49/1256177649.db2.gz VVRJGEUKGLQHQH-LIRRHRJNSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)Cc2ccc(F)cc2F)cc1C ZINC001127823291 1256404384 /nfs/dbraw/zinc/40/43/84/1256404384.db2.gz WSDTXAYMJINMSD-UHFFFAOYSA-N 1 0 348.393 2.730 20 10 EFCDRO O=C1COc2ccccc2CN1CC[NH2+]Cc1c(O)cccc1Cl ZINC000922462821 1266089491 /nfs/dbraw/zinc/08/94/91/1266089491.db2.gz PBFTUPBRFYOOFV-UHFFFAOYSA-N 1 0 346.814 2.556 20 10 EFCDRO Cc1cc(O)c(C[NH2+]CCN2Cc3ccccc3OCC2=O)cc1C ZINC000922462895 1266090131 /nfs/dbraw/zinc/09/01/31/1266090131.db2.gz QPOUWCDXGJAXLD-UHFFFAOYSA-N 1 0 340.423 2.520 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)Cc3ccc[nH]3)CC2)cc1C ZINC000997337737 1257397848 /nfs/dbraw/zinc/39/78/48/1257397848.db2.gz AFRPNQLDMXCZRE-UHFFFAOYSA-N 1 0 341.455 2.655 20 10 EFCDRO c1nn(CC2CCC2)cc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000921583243 1257505514 /nfs/dbraw/zinc/50/55/14/1257505514.db2.gz WBDUWXNUHXIAPC-UHFFFAOYSA-N 1 0 340.471 2.810 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)COc1ccc(F)cc1 ZINC000921588981 1257513587 /nfs/dbraw/zinc/51/35/87/1257513587.db2.gz WPBAYYSIHBXXNI-QGZVFWFLSA-N 1 0 331.387 2.680 20 10 EFCDRO CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(C)cc1O)C2 ZINC001272764679 1257676489 /nfs/dbraw/zinc/67/64/89/1257676489.db2.gz CRBPMUBCSNWSGB-OXQOHEQNSA-N 1 0 346.471 2.550 20 10 EFCDRO CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(C)cc1O)C2 ZINC001272764682 1257677180 /nfs/dbraw/zinc/67/71/80/1257677180.db2.gz CRBPMUBCSNWSGB-UZLBHIALSA-N 1 0 346.471 2.550 20 10 EFCDRO COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C)cc1O ZINC001272766031 1257692321 /nfs/dbraw/zinc/69/23/21/1257692321.db2.gz MMRNSQCOMRLWJO-IAGOWNOFSA-N 1 0 346.471 2.691 20 10 EFCDRO CCCCN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc(C)cc3O)C2)C1=O ZINC001272767143 1257725879 /nfs/dbraw/zinc/72/58/79/1257725879.db2.gz XIJRHNOSLFSKAO-HXUWFJFHSA-N 1 0 344.455 2.842 20 10 EFCDRO Oc1ccccc1C[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001203556999 1258574356 /nfs/dbraw/zinc/57/43/56/1258574356.db2.gz YBWACRIZUFBKSC-UHFFFAOYSA-N 1 0 338.333 2.523 20 10 EFCDRO Cn1nc(Br)cc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000785440425 1258814222 /nfs/dbraw/zinc/81/42/22/1258814222.db2.gz AYNDWDSXFGJUQW-UHFFFAOYSA-N 1 0 349.276 2.855 20 10 EFCDRO CCOc1cccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2=O)c1O ZINC000131564160 1259351457 /nfs/dbraw/zinc/35/14/57/1259351457.db2.gz AZEGEIQOUNSJQS-INIZCTEOSA-N 1 0 332.444 2.814 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C(C)(F)F)C2)cc1C ZINC000998366436 1259461682 /nfs/dbraw/zinc/46/16/82/1259461682.db2.gz GJUFQCVXNKHMNR-AWEZNQCLSA-N 1 0 326.387 2.739 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccncc3)C2)cc1C ZINC000998379680 1259478371 /nfs/dbraw/zinc/47/83/71/1259478371.db2.gz YPICVQLQPONIPQ-GOSISDBHSA-N 1 0 339.439 2.793 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)C3=COCCC3)C2)cc1C ZINC000998534656 1259648986 /nfs/dbraw/zinc/64/89/86/1259648986.db2.gz FXMQUJQGOHOIQL-UHFFFAOYSA-N 1 0 344.455 2.777 20 10 EFCDRO N#Cc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000140151054 1259670163 /nfs/dbraw/zinc/67/01/63/1259670163.db2.gz OFGOWTAKRJNUCW-UHFFFAOYSA-N 1 0 339.414 2.948 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C[C@@H]3CCCO3)C2)cc1C ZINC000998619995 1259757698 /nfs/dbraw/zinc/75/76/98/1259757698.db2.gz DMMKSKTVPGRYBF-MSOLQXFVSA-N 1 0 346.471 2.653 20 10 EFCDRO C[C@@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(F)cc1[O-] ZINC000710551859 1259828582 /nfs/dbraw/zinc/82/85/82/1259828582.db2.gz NBYDUNMNEVCKCX-MRVPVSSYSA-N 1 0 328.185 2.878 20 10 EFCDRO CC[C@@H](OC)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000998703516 1259845984 /nfs/dbraw/zinc/84/59/84/1259845984.db2.gz DBRCXMWYDXPLJN-IAGOWNOFSA-N 1 0 334.460 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3coc(C)n3)C2)cc1C ZINC000998998969 1260132192 /nfs/dbraw/zinc/13/21/92/1260132192.db2.gz JNBMJASTQOUEQT-MRXNPFEDSA-N 1 0 343.427 2.694 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000131652742 1260444849 /nfs/dbraw/zinc/44/48/49/1260444849.db2.gz YRRQRVJVIZVWMM-KRWDZBQOSA-N 1 0 332.444 2.814 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3ccns3)C2)cc1C ZINC000999295974 1260498220 /nfs/dbraw/zinc/49/82/20/1260498220.db2.gz XROFYKWBGHDZHJ-HNNXBMFYSA-N 1 0 345.468 2.855 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@]3(C)CCOC3)C2)cc1C ZINC000999610626 1260776282 /nfs/dbraw/zinc/77/62/82/1260776282.db2.gz JSOMLISPTJGNNH-UHYCVJNDSA-N 1 0 346.471 2.509 20 10 EFCDRO C[C@@H](CC[NH2+]Cc1cc2c(cc1O)OCO2)NC(=O)OC(C)(C)C ZINC000378870012 1266365812 /nfs/dbraw/zinc/36/58/12/1266365812.db2.gz LIHSXMXRVVWNQF-NSHDSACASA-N 1 0 338.404 2.514 20 10 EFCDRO CNC(=O)[C@@H]1CC12CC[NH+](Cc1c(C)n(C)c3ccccc31)CC2 ZINC001273309140 1266379869 /nfs/dbraw/zinc/37/98/69/1266379869.db2.gz FNDSVQMFRVVGJV-KRWDZBQOSA-N 1 0 325.456 2.835 20 10 EFCDRO CC(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001272902792 1261294705 /nfs/dbraw/zinc/29/47/05/1261294705.db2.gz HHZARZLXFMTTRT-IBGZPJMESA-N 1 0 332.444 2.711 20 10 EFCDRO O=C1N(CC2CCCC2)CC[C@]12CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001272903646 1261298059 /nfs/dbraw/zinc/29/80/59/1261298059.db2.gz XROUNXFUWITJCY-FQEVSTJZSA-N 1 0 344.455 2.712 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CC(C)C)CCCO2)cc1C ZINC001078322889 1261625606 /nfs/dbraw/zinc/62/56/06/1261625606.db2.gz VWDGZYGWDNGXAD-GOSISDBHSA-N 1 0 348.487 2.757 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3CCC3)CCCO2)cc1C ZINC001078312223 1261642088 /nfs/dbraw/zinc/64/20/88/1261642088.db2.gz WKXRTNBADNZPIX-GOSISDBHSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)CC3CC3)CCCO2)cc1C ZINC001078313775 1261644340 /nfs/dbraw/zinc/64/43/40/1261644340.db2.gz KISBSSZHJYZOHJ-SFHVURJKSA-N 1 0 346.471 2.511 20 10 EFCDRO CCN1CCC[C@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1=O ZINC000922639568 1266497662 /nfs/dbraw/zinc/49/76/62/1266497662.db2.gz OREPMLDONMASGB-INIZCTEOSA-N 1 0 334.460 2.799 20 10 EFCDRO C[C@@H](NC(=O)NCc1cc(N(C)C)cc[nH+]1)c1ccc(N(C)C)cc1 ZINC000922053029 1264215537 /nfs/dbraw/zinc/21/55/37/1264215537.db2.gz APXTWENEJHVXKF-CQSZACIVSA-N 1 0 341.459 2.774 20 10 EFCDRO O[C@@H]1[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)CCC12CCOCC2 ZINC000922110615 1264414693 /nfs/dbraw/zinc/41/46/93/1264414693.db2.gz PTQVUYYNUOGCDR-IEBWSBKVSA-N 1 0 331.456 2.669 20 10 EFCDRO Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCO1 ZINC000922164456 1264734778 /nfs/dbraw/zinc/73/47/78/1264734778.db2.gz ZZAACSDZFQPMPI-VQIMIIECSA-N 1 0 327.428 2.755 20 10 EFCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@]23CCN(CC(F)F)C3=O)c1O ZINC001273049257 1266802533 /nfs/dbraw/zinc/80/25/33/1266802533.db2.gz RJWPPWNVDXXKLR-GOSISDBHSA-N 1 0 338.398 2.841 20 10 EFCDRO CCc1cc(NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)ncn1 ZINC000733190599 1265116921 /nfs/dbraw/zinc/11/69/21/1265116921.db2.gz VRGMEUXYFKBZKE-UHFFFAOYSA-N 1 0 343.450 2.932 20 10 EFCDRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000733326628 1265169880 /nfs/dbraw/zinc/16/98/80/1265169880.db2.gz PSKMIOJSQDAPAE-GFCCVEGCSA-N 1 0 345.830 2.513 20 10 EFCDRO O[C@@H]1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000824714815 1278258389 /nfs/dbraw/zinc/25/83/89/1278258389.db2.gz HEQRUAJMRKBDTC-VAMGGRTRSA-N 1 0 330.472 2.649 20 10 EFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(CCN(CC(F)F)C3=O)C2)c1O ZINC001273049310 1266803279 /nfs/dbraw/zinc/80/32/79/1266803279.db2.gz STSKGOPZVPSSPV-GOSISDBHSA-N 1 0 338.398 2.699 20 10 EFCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)c(O)c1 ZINC000922793878 1266825860 /nfs/dbraw/zinc/82/58/60/1266825860.db2.gz IENSGHVNTIOBDW-AWEZNQCLSA-N 1 0 336.432 2.890 20 10 EFCDRO COc1ccc(O)c(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000734065243 1266846945 /nfs/dbraw/zinc/84/69/45/1266846945.db2.gz WZZCZXKMKLHSEF-QGZVFWFLSA-N 1 0 349.475 2.711 20 10 EFCDRO COc1ccc(O)c(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000734065242 1266848041 /nfs/dbraw/zinc/84/80/41/1266848041.db2.gz WZZCZXKMKLHSEF-KRWDZBQOSA-N 1 0 349.475 2.711 20 10 EFCDRO O=C(NCc1ccccc1O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000734217029 1266914076 /nfs/dbraw/zinc/91/40/76/1266914076.db2.gz RFQXZHMZAWAXOC-SFHVURJKSA-N 1 0 339.439 2.856 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=S)NCC(C)(C)C[NH+](C)C ZINC000734386852 1266964647 /nfs/dbraw/zinc/96/46/47/1266964647.db2.gz VRFAIYSWAWKPRU-UHFFFAOYSA-N 1 0 336.549 2.613 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000734530456 1267003831 /nfs/dbraw/zinc/00/38/31/1267003831.db2.gz CSGVTSUATISMTA-NVXWUHKLSA-N 1 0 346.519 2.981 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000734652678 1267054620 /nfs/dbraw/zinc/05/46/20/1267054620.db2.gz XNBAQNZZOBXSOQ-MRXNPFEDSA-N 1 0 332.492 2.591 20 10 EFCDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000824796073 1278312828 /nfs/dbraw/zinc/31/28/28/1278312828.db2.gz BEWJLXUWEJYOHB-CYBMUJFWSA-N 1 0 334.460 2.656 20 10 EFCDRO COCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001004633256 1267423828 /nfs/dbraw/zinc/42/38/28/1267423828.db2.gz AQXXMLYYTJJIMG-RDJZCZTQSA-N 1 0 334.460 2.509 20 10 EFCDRO COCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001004633236 1267424029 /nfs/dbraw/zinc/42/40/29/1267424029.db2.gz AQXXMLYYTJJIMG-NVXWUHKLSA-N 1 0 334.460 2.509 20 10 EFCDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000073917344 1267722030 /nfs/dbraw/zinc/72/20/30/1267722030.db2.gz MGRCJDBJYLHEKP-SFHVURJKSA-N 1 0 344.503 2.695 20 10 EFCDRO O=C1N(CC(F)F)CC[C@]12CC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001273108481 1267781507 /nfs/dbraw/zinc/78/15/07/1267781507.db2.gz RINCFQJFACGHKZ-INIZCTEOSA-N 1 0 344.789 2.735 20 10 EFCDRO CN(C(=O)C1=CC(=O)CS1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000824977551 1278376481 /nfs/dbraw/zinc/37/64/81/1278376481.db2.gz YCOFYZVIKRLISM-UHFFFAOYSA-N 1 0 345.468 2.628 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)cc1F ZINC000825045766 1278394404 /nfs/dbraw/zinc/39/44/04/1278394404.db2.gz KSZXBIJWYCMUPO-KSSFIOAISA-N 1 0 332.423 2.635 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)c1 ZINC000825046477 1278395574 /nfs/dbraw/zinc/39/55/74/1278395574.db2.gz UPPRMXPCCDJVDX-ZJNRKIDTSA-N 1 0 331.416 2.705 20 10 EFCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000825068498 1278404227 /nfs/dbraw/zinc/40/42/27/1278404227.db2.gz QZXZGVSDNMKDPC-MRXNPFEDSA-N 1 0 337.467 2.864 20 10 EFCDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000825068456 1278404260 /nfs/dbraw/zinc/40/42/60/1278404260.db2.gz PEIYBEYIRSNLON-AWEZNQCLSA-N 1 0 331.485 2.999 20 10 EFCDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000749198118 1268513786 /nfs/dbraw/zinc/51/37/86/1268513786.db2.gz BGIYGPAOGUDFAM-INIZCTEOSA-N 1 0 332.492 2.544 20 10 EFCDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000738991698 1268623068 /nfs/dbraw/zinc/62/30/68/1268623068.db2.gz STNDCORPVRUZDX-LJQANCHMSA-N 1 0 344.503 2.551 20 10 EFCDRO COC[C@@]1(CO)CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000825158185 1278455183 /nfs/dbraw/zinc/45/51/83/1278455183.db2.gz HDVJYLXJTMZGEV-INIZCTEOSA-N 1 0 346.393 2.602 20 10 EFCDRO Cc1cc(O)c(C[NH2+]CC(=O)NCCc2ccccc2)cc1Cl ZINC000825222714 1278469795 /nfs/dbraw/zinc/46/97/95/1278469795.db2.gz LPNQWAJJXFAQHT-UHFFFAOYSA-N 1 0 332.831 2.803 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)c2C)cc1 ZINC000825188722 1278470485 /nfs/dbraw/zinc/47/04/85/1278470485.db2.gz NFQHEFDVHMSRQK-HOTGVXAUSA-N 1 0 341.455 2.960 20 10 EFCDRO CC(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)c(F)cc2[O-])C1=O ZINC001273378872 1269276905 /nfs/dbraw/zinc/27/69/05/1269276905.db2.gz QKIDDKVEMGAMBP-SFHVURJKSA-N 1 0 338.398 2.893 20 10 EFCDRO CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000741083741 1269306476 /nfs/dbraw/zinc/30/64/76/1269306476.db2.gz YJIOGIMFIPPJIK-INIZCTEOSA-N 1 0 330.476 2.592 20 10 EFCDRO COc1ccc(N2CCC(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000741139876 1269349220 /nfs/dbraw/zinc/34/92/20/1269349220.db2.gz HCDDIWAPZHYCGM-HZPDHXFCSA-N 1 0 345.487 2.653 20 10 EFCDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3cc(F)ccc3O)[C@@H]2C1 ZINC000825294432 1278495500 /nfs/dbraw/zinc/49/55/00/1278495500.db2.gz QFONMCSEZWYHNK-SWLSCSKDSA-N 1 0 336.407 2.973 20 10 EFCDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000741725406 1269667484 /nfs/dbraw/zinc/66/74/84/1269667484.db2.gz UXWAXKBYIMOOFX-BBRMVZONSA-N 1 0 326.444 2.702 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cscn3)C2)cc1C ZINC001086045138 1269669678 /nfs/dbraw/zinc/66/96/78/1269669678.db2.gz WIXAAYAXTNUGCV-GASCZTMLSA-N 1 0 345.468 2.758 20 10 EFCDRO Cc1cccc(C[N@H+](CCN2CCOCC2)Cc2ccco2)c1O ZINC000825305733 1278500611 /nfs/dbraw/zinc/50/06/11/1278500611.db2.gz QOLYHBPBDDBHIG-UHFFFAOYSA-N 1 0 330.428 2.628 20 10 EFCDRO CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000825275312 1278501815 /nfs/dbraw/zinc/50/18/15/1278501815.db2.gz GSDZDJLPRWKKLE-UHFFFAOYSA-N 1 0 325.884 2.551 20 10 EFCDRO CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000825275510 1278502071 /nfs/dbraw/zinc/50/20/71/1278502071.db2.gz RANCLRDSNVJERS-UHFFFAOYSA-N 1 0 343.874 2.690 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C(=O)NC ZINC000825316778 1278503896 /nfs/dbraw/zinc/50/38/96/1278503896.db2.gz SXZYLGKEJQRNSV-IBGZPJMESA-N 1 0 337.467 2.864 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)cc1F ZINC000825325925 1278507202 /nfs/dbraw/zinc/50/72/02/1278507202.db2.gz IEMKRLJTHSNHMM-RHSMWYFYSA-N 1 0 332.423 2.635 20 10 EFCDRO CN(C)[C@]1(C[NH2+]Cc2ccc(Br)cc2O)CCSC1 ZINC000825325797 1278507330 /nfs/dbraw/zinc/50/73/30/1278507330.db2.gz JZHXURIURRCUTN-AWEZNQCLSA-N 1 0 345.306 2.682 20 10 EFCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)c1 ZINC000742391496 1270019360 /nfs/dbraw/zinc/01/93/60/1270019360.db2.gz KJTNKFVYXHLXAP-GUDVDZBRSA-N 1 0 336.435 2.947 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)cc1 ZINC000742391839 1270020170 /nfs/dbraw/zinc/02/01/70/1270020170.db2.gz MNLVZLCSHQKIRY-NRSPTQNISA-N 1 0 349.478 2.999 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cc(F)c[nH]3)C2)cc1C ZINC001086151393 1270174077 /nfs/dbraw/zinc/17/40/77/1270174077.db2.gz YNYVITKLVKVLIO-FZNQNYSPSA-N 1 0 345.418 2.769 20 10 EFCDRO C[C@H]1CCC[N@H+](CCNC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000743548374 1270627762 /nfs/dbraw/zinc/62/77/62/1270627762.db2.gz OUOSSNNPWAFACY-HNNXBMFYSA-N 1 0 345.487 2.802 20 10 EFCDRO C[N@H+](CCNC(=O)NCc1c(O)ccc2c1CCCC2)C1CCCC1 ZINC000743592286 1270655731 /nfs/dbraw/zinc/65/57/31/1270655731.db2.gz YNISPYKGLQTVSN-UHFFFAOYSA-N 1 0 345.487 2.945 20 10 EFCDRO Cc1ccc([C@@H](O)C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000743839443 1270778940 /nfs/dbraw/zinc/77/89/40/1270778940.db2.gz XIEAODHLNOAWDQ-NRFANRHFSA-N 1 0 340.467 2.997 20 10 EFCDRO COc1cccc(C[NH2+][C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000701917558 1270794205 /nfs/dbraw/zinc/79/42/05/1270794205.db2.gz CVOLTODAGQQPFI-SFHVURJKSA-N 1 0 336.432 2.890 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3(F)F)C2)cc1C ZINC001086359868 1271142870 /nfs/dbraw/zinc/14/28/70/1271142870.db2.gz OEWQBCJKLIGSOB-KKUMJFAQSA-N 1 0 338.398 2.643 20 10 EFCDRO CCc1ncsc1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001128899927 1271423641 /nfs/dbraw/zinc/42/36/41/1271423641.db2.gz WDSWBPNVHQZFPF-UHFFFAOYSA-N 1 0 333.457 2.542 20 10 EFCDRO Oc1cccc2c1[C@H]([NH2+]C[C@]1(O)CCN(Cc3ccccc3)C1)CC2 ZINC000702544359 1271476567 /nfs/dbraw/zinc/47/65/67/1271476567.db2.gz KEVXHIRRIRWRCY-WIYYLYMNSA-N 1 0 338.451 2.606 20 10 EFCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@]1(O)CCN(Cc3ccccc3)C1)CC2 ZINC000702544349 1271478366 /nfs/dbraw/zinc/47/83/66/1271478366.db2.gz KEVXHIRRIRWRCY-GHTZIAJQSA-N 1 0 338.451 2.606 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000745655333 1271552574 /nfs/dbraw/zinc/55/25/74/1271552574.db2.gz IGBNHGFRSUDTJF-RDJZCZTQSA-N 1 0 332.492 2.815 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000745655330 1271552853 /nfs/dbraw/zinc/55/28/53/1271552853.db2.gz IGBNHGFRSUDTJF-DOTOQJQBSA-N 1 0 332.492 2.815 20 10 EFCDRO COc1cc(C(=O)N[C@H]2CCCC[N@H+](CC=C(C)C)C2)cc(OC)n1 ZINC001034287895 1271567216 /nfs/dbraw/zinc/56/72/16/1271567216.db2.gz CPCZPGZQOFITGS-INIZCTEOSA-N 1 0 347.459 2.649 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1 ZINC000746046597 1271739717 /nfs/dbraw/zinc/73/97/17/1271739717.db2.gz BFDKZYFFNRXFRJ-MRXNPFEDSA-N 1 0 344.480 2.772 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)c3ccn[nH]3)CC2)cc1C ZINC001034598286 1272361143 /nfs/dbraw/zinc/36/11/43/1272361143.db2.gz FDXHWFUFYFEFEV-WKILWMFISA-N 1 0 342.443 2.558 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)C(=O)O1)c1ccc(N2CCOCC2)cc1 ZINC000792275419 1278707727 /nfs/dbraw/zinc/70/77/27/1278707727.db2.gz AELVYRJKEFETQK-QAPCUYQASA-N 1 0 344.455 2.660 20 10 EFCDRO CCOc1ccc(N2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169047033 1272625323 /nfs/dbraw/zinc/62/53/23/1272625323.db2.gz QBXJYTIMAGBQCM-DOTOQJQBSA-N 1 0 333.432 2.653 20 10 EFCDRO CCOc1ccc(N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169047034 1272625794 /nfs/dbraw/zinc/62/57/94/1272625794.db2.gz QBXJYTIMAGBQCM-NVXWUHKLSA-N 1 0 333.432 2.653 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c(C)c1 ZINC001169050181 1272628552 /nfs/dbraw/zinc/62/85/52/1272628552.db2.gz ZDSKJMLXVDQTOC-HZPDHXFCSA-N 1 0 333.432 2.571 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c(C)c1 ZINC001169050182 1272629642 /nfs/dbraw/zinc/62/96/42/1272629642.db2.gz ZDSKJMLXVDQTOC-JKSUJKDBSA-N 1 0 333.432 2.571 20 10 EFCDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CO1 ZINC001169318094 1272801373 /nfs/dbraw/zinc/80/13/73/1272801373.db2.gz CCBPDWBVKRYXND-PKOBYXMFSA-N 1 0 346.471 2.877 20 10 EFCDRO COc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)c2cn[nH]c2)cc1C ZINC001169386922 1272888997 /nfs/dbraw/zinc/88/89/97/1272888997.db2.gz VEXYLIMZOSPACB-OAHLLOKOSA-N 1 0 344.459 2.805 20 10 EFCDRO COc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)OC)cc1C ZINC001169497862 1272968119 /nfs/dbraw/zinc/96/81/19/1272968119.db2.gz GOTGFDPFHJCPEB-CVEARBPZSA-N 1 0 336.476 2.803 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2cncs2)cc1C ZINC001034873622 1273163115 /nfs/dbraw/zinc/16/31/15/1273163115.db2.gz LAOWGAMMJYFLDB-OAHLLOKOSA-N 1 0 345.468 2.855 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@H]3CCCC4(C3)OCCO4)CC2)cc1 ZINC001169937504 1273256667 /nfs/dbraw/zinc/25/66/67/1273256667.db2.gz PCPVJGDEOPVTHP-KRWDZBQOSA-N 1 0 332.444 2.503 20 10 EFCDRO CC[NH+](CC)CCCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000844166326 1278776891 /nfs/dbraw/zinc/77/68/91/1278776891.db2.gz FLSLFUDEBYOVDU-UHFFFAOYSA-N 1 0 346.500 2.778 20 10 EFCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)Nc1ccc(Cl)cn1 ZINC000844220431 1278796314 /nfs/dbraw/zinc/79/63/14/1278796314.db2.gz WRIBWKAVKNJXCP-UHFFFAOYSA-N 1 0 330.819 2.585 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[C@@H]2C(F)F)cc1C ZINC001129376911 1273759594 /nfs/dbraw/zinc/75/95/94/1273759594.db2.gz VWXUVYXLWYZXDC-LSDHHAIUSA-N 1 0 340.414 2.891 20 10 EFCDRO Oc1ccc(CNc2ccc(COC3CC[NH2+]CC3)cc2)cc1O ZINC001169995187 1274205688 /nfs/dbraw/zinc/20/56/88/1274205688.db2.gz SJNBFYVRVPWPOI-UHFFFAOYSA-N 1 0 328.412 2.979 20 10 EFCDRO CC1CCN(CC[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000691487993 1274716378 /nfs/dbraw/zinc/71/63/78/1274716378.db2.gz JRGLSAATEPNAFI-UHFFFAOYSA-N 1 0 327.266 2.976 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccon3)C[C@H]2C)cc1C ZINC001035942450 1274721084 /nfs/dbraw/zinc/72/10/84/1274721084.db2.gz RSJIZBJNWFDMQK-GDBMZVCRSA-N 1 0 343.427 2.632 20 10 EFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cn1cc2[nH]cccc-2c1=O ZINC000785498153 1275100860 /nfs/dbraw/zinc/10/08/60/1275100860.db2.gz CSIQHDZVMJRJAX-UHFFFAOYSA-N 1 0 338.455 2.972 20 10 EFCDRO COc1ccc(N(C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000844353167 1278922171 /nfs/dbraw/zinc/92/21/71/1278922171.db2.gz PSSZEGAFICVNDE-LJQANCHMSA-N 1 0 341.455 2.551 20 10 EFCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H]1CO ZINC000785984227 1275265666 /nfs/dbraw/zinc/26/56/66/1275265666.db2.gz JYQMQZWEHCYZJT-RDTXWAMCSA-N 1 0 333.432 2.788 20 10 EFCDRO Oc1cccc(Br)c1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000707171956 1275375886 /nfs/dbraw/zinc/37/58/86/1275375886.db2.gz PQJMMUXKTJIXNE-LBPRGKRZSA-N 1 0 325.250 2.825 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000844399456 1278949178 /nfs/dbraw/zinc/94/91/78/1278949178.db2.gz JZNOEWBFSCNDLQ-LJQANCHMSA-N 1 0 332.419 2.936 20 10 EFCDRO CCC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001036307673 1275429722 /nfs/dbraw/zinc/42/97/22/1275429722.db2.gz OZAMUGNBBRZZOP-DOMZBBRYSA-N 1 0 331.420 2.699 20 10 EFCDRO CC(C)[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001036308611 1275430384 /nfs/dbraw/zinc/43/03/84/1275430384.db2.gz SMFAWBLQKRVYNV-WFASDCNBSA-N 1 0 331.420 2.698 20 10 EFCDRO CC(C)O[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000844380757 1278956487 /nfs/dbraw/zinc/95/64/87/1278956487.db2.gz YTRCVHAVUAETSJ-IBGZPJMESA-N 1 0 347.503 2.600 20 10 EFCDRO CCOc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)c(O)c1 ZINC000786826278 1275533775 /nfs/dbraw/zinc/53/37/75/1275533775.db2.gz FESMHGNUFIDAIU-UHFFFAOYSA-N 1 0 341.454 2.546 20 10 EFCDRO CCOC(=O)C(=Cc1cc(C)c(C)nc1NCC1C[NH+](C)C1)N=[N+]=[N-] ZINC001170252465 1278972400 /nfs/dbraw/zinc/97/24/00/1278972400.db2.gz MXSXJQQDWIELEA-CHHVJCJISA-N 1 0 344.419 2.886 20 10 EFCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@H]1C ZINC000787326941 1275757483 /nfs/dbraw/zinc/75/74/83/1275757483.db2.gz KDRLTYKOYUFKRF-ZANVPECISA-N 1 0 325.792 2.632 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1F ZINC000787343062 1275762923 /nfs/dbraw/zinc/76/29/23/1275762923.db2.gz YAIMKBRBFXYRNS-SFHVURJKSA-N 1 0 333.451 2.915 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1F ZINC000787425324 1275771964 /nfs/dbraw/zinc/77/19/64/1275771964.db2.gz VDFLCEKKHBSILN-RLFYNMQTSA-N 1 0 333.451 2.758 20 10 EFCDRO COc1ccc(O)c(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC000788299080 1276117716 /nfs/dbraw/zinc/11/77/16/1276117716.db2.gz OLMOAEPZACNCAN-KRWDZBQOSA-N 1 0 332.444 2.814 20 10 EFCDRO COc1cc(O)c(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)cc1OC ZINC000788267788 1276122895 /nfs/dbraw/zinc/12/28/95/1276122895.db2.gz SCOWVZOIVUSZLJ-CQSZACIVSA-N 1 0 333.432 2.672 20 10 EFCDRO CCOCc1cc(C[NH2+]Cc2cccn(CC)c2=O)ccc1OC ZINC000788524457 1276219854 /nfs/dbraw/zinc/21/98/54/1276219854.db2.gz ORCLASAJBYPBAJ-UHFFFAOYSA-N 1 0 330.428 2.703 20 10 EFCDRO CCn1cccc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)c1=O ZINC000788610527 1276224711 /nfs/dbraw/zinc/22/47/11/1276224711.db2.gz YVMKDDCGCMHWJW-UHFFFAOYSA-N 1 0 341.455 2.635 20 10 EFCDRO Cc1cc(C)c([C@H](C)[NH2+]C2CCN(CCC(=O)N(C)C)CC2)c(O)c1 ZINC000788593857 1276236053 /nfs/dbraw/zinc/23/60/53/1276236053.db2.gz SFMJNCUKPRACHX-INIZCTEOSA-N 1 0 347.503 2.602 20 10 EFCDRO C[NH+](C)C1CCC(NC(=O)NCCCSc2nccs2)CC1 ZINC000817777164 1276297857 /nfs/dbraw/zinc/29/78/57/1276297857.db2.gz SCJSHVNTLITHKP-UHFFFAOYSA-N 1 0 342.534 2.797 20 10 EFCDRO C[C@@H]1CN(c2ccc(CN[C@@H]3C[NH2+]CC[C@@H]3C)cc2F)C[C@H](C)O1 ZINC000817889311 1276347911 /nfs/dbraw/zinc/34/79/11/1276347911.db2.gz SJNGFCJXXGKCRD-OIPACUDHSA-N 1 0 335.467 2.527 20 10 EFCDRO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000817902164 1276366852 /nfs/dbraw/zinc/36/68/52/1276366852.db2.gz JPVQCPXGOIZVTL-MJGOQNOKSA-N 1 0 331.504 2.780 20 10 EFCDRO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817901566 1276367257 /nfs/dbraw/zinc/36/72/57/1276367257.db2.gz WZSUNNCWLCZOOK-CPUCHLNUSA-N 1 0 339.430 2.844 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)cc1F ZINC000817903942 1276369197 /nfs/dbraw/zinc/36/91/97/1276369197.db2.gz XKCGDVOJPAEJEW-RBUKOAKNSA-N 1 0 335.467 2.529 20 10 EFCDRO [NH3+][C@@H]1CCCCC[C@@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817937328 1276383506 /nfs/dbraw/zinc/38/35/06/1276383506.db2.gz YCSSUADAYNLYCS-SJORKVTESA-N 1 0 339.430 2.551 20 10 EFCDRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817939064 1276385162 /nfs/dbraw/zinc/38/51/62/1276385162.db2.gz YKXJEMQDBNWJSB-HNAYVOBHSA-N 1 0 340.471 2.759 20 10 EFCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1nc2ccccc2n1C ZINC000817939903 1276386168 /nfs/dbraw/zinc/38/61/68/1276386168.db2.gz DAXNNHGXXWCPOZ-YOEHRIQHSA-N 1 0 337.471 2.990 20 10 EFCDRO C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Br)c(F)cc1[O-] ZINC000817945996 1276390441 /nfs/dbraw/zinc/39/04/41/1276390441.db2.gz PMUHYXYVBJGXMC-ZJUUUORDSA-N 1 0 331.229 2.944 20 10 EFCDRO C[C@H](NC[C@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817946338 1276390551 /nfs/dbraw/zinc/39/05/51/1276390551.db2.gz WSXZGYCIOFWUBM-GJZGRUSLSA-N 1 0 337.895 2.827 20 10 EFCDRO C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Br)cc(F)c1[O-] ZINC000817945428 1276390563 /nfs/dbraw/zinc/39/05/63/1276390563.db2.gz COFFUTZGYWUYRF-VHSXEESVSA-N 1 0 331.229 2.944 20 10 EFCDRO CC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817945259 1276390928 /nfs/dbraw/zinc/39/09/28/1276390928.db2.gz YFMDRLRVZJVGJN-ZDUSSCGKSA-N 1 0 332.275 2.645 20 10 EFCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000817956286 1276396991 /nfs/dbraw/zinc/39/69/91/1276396991.db2.gz VTKAMZCIPTZVKQ-DYESRHJHSA-N 1 0 339.483 2.690 20 10 EFCDRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817955615 1276397019 /nfs/dbraw/zinc/39/70/19/1276397019.db2.gz CWGWCPSMVOWLGX-AWEZNQCLSA-N 1 0 327.428 2.827 20 10 EFCDRO Nc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000817958137 1276398901 /nfs/dbraw/zinc/39/89/01/1276398901.db2.gz SIARTRIZCQROIK-CVEARBPZSA-N 1 0 329.404 2.690 20 10 EFCDRO COC[C@@]1(CN[C@H](C)c2ccc(Br)cc2O)CCC[NH2+]1 ZINC000817975187 1276416020 /nfs/dbraw/zinc/41/60/20/1276416020.db2.gz RMMRIXJIMHZMMQ-ABAIWWIYSA-N 1 0 343.265 2.574 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CC[C@H](O)C2)ccc1N1CCCCC1 ZINC000788971603 1276420636 /nfs/dbraw/zinc/42/06/36/1276420636.db2.gz PFIDCFSTXBYZME-HOCLYGCPSA-N 1 0 333.432 2.836 20 10 EFCDRO C[C@@H]([NH2+][C@@H](CN)C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817983220 1276420904 /nfs/dbraw/zinc/42/09/04/1276420904.db2.gz ZRRHGWVHSIOOGV-KDOFPFPSSA-N 1 0 335.467 2.830 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC(C)(C)C3)cc2F)CC1 ZINC000788980662 1276447997 /nfs/dbraw/zinc/44/79/97/1276447997.db2.gz JWGDJYOQKNGXMI-UHFFFAOYSA-N 1 0 348.466 2.519 20 10 EFCDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000788981727 1276449386 /nfs/dbraw/zinc/44/93/86/1276449386.db2.gz GAFLIQHYVMHCNB-QWRGUYRKSA-N 1 0 343.265 2.981 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccc(OC)n3)C2)cc1 ZINC000818220185 1276493721 /nfs/dbraw/zinc/49/37/21/1276493721.db2.gz GHJVRBPGWHAHKV-HNNXBMFYSA-N 1 0 327.428 2.715 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]CCCCS(C)(=O)=O)cc1F ZINC000818226889 1276494789 /nfs/dbraw/zinc/49/47/89/1276494789.db2.gz ZZFCTMLHXDAFTL-UHFFFAOYSA-N 1 0 330.469 2.586 20 10 EFCDRO COC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1 ZINC000818342142 1276509949 /nfs/dbraw/zinc/50/99/49/1276509949.db2.gz MJODSMNUBKDGDM-JXFKEZNVSA-N 1 0 348.487 2.553 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)Cc3cnccn3)C2)cc1 ZINC000818342326 1276510153 /nfs/dbraw/zinc/51/01/53/1276510153.db2.gz PBNRFYHRCBXHNG-CVEARBPZSA-N 1 0 326.444 2.532 20 10 EFCDRO COC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1 ZINC000818342143 1276510303 /nfs/dbraw/zinc/51/03/03/1276510303.db2.gz MJODSMNUBKDGDM-OXJNMPFZSA-N 1 0 348.487 2.553 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCCc4nn(C)cc43)C2)cc1 ZINC000818343208 1276511596 /nfs/dbraw/zinc/51/15/96/1276511596.db2.gz ZHLGINKFKBOFTP-HNAYVOBHSA-N 1 0 340.471 2.922 20 10 EFCDRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818344635 1276512822 /nfs/dbraw/zinc/51/28/22/1276512822.db2.gz PMVKJURQMDFOJR-IRXDYDNUSA-N 1 0 347.503 2.758 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)Cc1ccccc1 ZINC000818963831 1276552117 /nfs/dbraw/zinc/55/21/17/1276552117.db2.gz BQGFOLIZXLXGPD-FQEVSTJZSA-N 1 0 342.508 2.933 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2F)cc1F ZINC000818985059 1276563827 /nfs/dbraw/zinc/56/38/27/1276563827.db2.gz MPZBPPZDLHCNOL-AWEZNQCLSA-N 1 0 336.382 2.560 20 10 EFCDRO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000818996342 1276566804 /nfs/dbraw/zinc/56/68/04/1276566804.db2.gz DYQTYECDZVBPBY-SFHVURJKSA-N 1 0 327.424 2.768 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)COc1ccc(Cl)cc1 ZINC000818996118 1276567139 /nfs/dbraw/zinc/56/71/39/1276567139.db2.gz BOJKIGFBYLTYON-MRXNPFEDSA-N 1 0 333.815 2.804 20 10 EFCDRO CSC[C@H](O)C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000819002648 1276567624 /nfs/dbraw/zinc/56/76/24/1276567624.db2.gz MMIPMYTZJJGHCQ-CQSZACIVSA-N 1 0 346.443 2.570 20 10 EFCDRO Cc1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)c1 ZINC000819095012 1276603920 /nfs/dbraw/zinc/60/39/20/1276603920.db2.gz RDYSPZWLHKYNRK-FQEVSTJZSA-N 1 0 338.451 2.901 20 10 EFCDRO Cc1ccccc1OC[C@@H](O)C[NH2+]CCCSc1nccs1 ZINC000819063660 1276613079 /nfs/dbraw/zinc/61/30/79/1276613079.db2.gz PEAWTDJSBDIDIT-AWEZNQCLSA-N 1 0 338.498 2.963 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000819076891 1276620840 /nfs/dbraw/zinc/62/08/40/1276620840.db2.gz GURSAACSEAPFPR-HXUWFJFHSA-N 1 0 328.456 2.728 20 10 EFCDRO OC1(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC1 ZINC000819120113 1276639429 /nfs/dbraw/zinc/63/94/29/1276639429.db2.gz KYRBBACVBLVZSY-ZDUSSCGKSA-N 1 0 326.387 2.761 20 10 EFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000819525601 1276819488 /nfs/dbraw/zinc/81/94/88/1276819488.db2.gz KYCOFJXAEIAASF-UHFFFAOYSA-N 1 0 329.469 2.933 20 10 EFCDRO COc1ccc(N2CC[C@@H](CNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000819583837 1276826485 /nfs/dbraw/zinc/82/64/85/1276826485.db2.gz AEHXWFAVNVZVGM-BBWFWOEESA-N 1 0 345.487 2.511 20 10 EFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](C)N(C)C[C@H]3C)cc2)CC1 ZINC000828597544 1287253574 /nfs/dbraw/zinc/25/35/74/1287253574.db2.gz HRZJJRJARUNEDJ-IAGOWNOFSA-N 1 0 331.504 2.826 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CC(=O)[O-])CC(C)(C)C)cc2)CC1 ZINC000789903308 1277089041 /nfs/dbraw/zinc/08/90/41/1277089041.db2.gz HSOVQDBJYMKKGF-KRWDZBQOSA-N 1 0 347.503 2.808 20 10 EFCDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820489772 1277195679 /nfs/dbraw/zinc/19/56/79/1277195679.db2.gz ASHADFIISQDMND-CQSZACIVSA-N 1 0 343.431 2.653 20 10 EFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)c1O ZINC000821336859 1277521932 /nfs/dbraw/zinc/52/19/32/1277521932.db2.gz MLVYPVZOHVAQOU-SFHVURJKSA-N 1 0 346.402 2.978 20 10 EFCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c1 ZINC000790462154 1277546057 /nfs/dbraw/zinc/54/60/57/1277546057.db2.gz UZLUUVKUEABLHM-OAHLLOKOSA-N 1 0 332.444 2.592 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000790460821 1277546570 /nfs/dbraw/zinc/54/65/70/1277546570.db2.gz QFJVVYHCSCVFSN-HNNXBMFYSA-N 1 0 346.471 2.895 20 10 EFCDRO CC[C@H](CNC(=O)c1cccc(O)c1O)[N@@H+]1CCc2ccccc2C1 ZINC000790533752 1277638054 /nfs/dbraw/zinc/63/80/54/1277638054.db2.gz ZINXMIHYGSVZLF-MRXNPFEDSA-N 1 0 340.423 2.665 20 10 EFCDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cccc(O)c2O)C1 ZINC000790570245 1277653235 /nfs/dbraw/zinc/65/32/35/1277653235.db2.gz KQBKBHKCXPBOKG-DZGCQCFKSA-N 1 0 326.396 2.663 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]CCC2(O)CCC2)c1O ZINC000790636949 1277691208 /nfs/dbraw/zinc/69/12/08/1277691208.db2.gz BVIAVFSZSPTDGM-UHFFFAOYSA-N 1 0 330.222 2.558 20 10 EFCDRO c1[nH]nc2cc(CC[NH2+]Cc3ccc(N4CCOCC4)cc3)ccc12 ZINC000790618514 1277700433 /nfs/dbraw/zinc/70/04/33/1277700433.db2.gz IMMCFHCHXOFBOF-UHFFFAOYSA-N 1 0 336.439 2.732 20 10 EFCDRO Cc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)ccc1N(C)C ZINC000815071021 1287295671 /nfs/dbraw/zinc/29/56/71/1287295671.db2.gz CMSQRAGMBSYBOL-QZTJIDSGSA-N 1 0 338.517 2.849 20 10 EFCDRO Cc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1N(C)C ZINC000815071018 1287295790 /nfs/dbraw/zinc/29/57/90/1287295790.db2.gz CMSQRAGMBSYBOL-MSOLQXFVSA-N 1 0 338.517 2.849 20 10 EFCDRO CCOCCOC[C@@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000790761201 1277746403 /nfs/dbraw/zinc/74/64/03/1277746403.db2.gz SCXPXIRKDBOWQD-ZBFHGGJFSA-N 1 0 333.428 2.610 20 10 EFCDRO CC1(C)C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000790938724 1277856359 /nfs/dbraw/zinc/85/63/59/1277856359.db2.gz UIXQNWBCBSQBHB-KRWDZBQOSA-N 1 0 333.432 2.788 20 10 EFCDRO CCN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)cc1 ZINC000815119903 1287313859 /nfs/dbraw/zinc/31/38/59/1287313859.db2.gz KCUAWEJPVPNJQA-YZGWKJHDSA-N 1 0 329.488 2.879 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3ocnc3C)C2)cc1C ZINC001090975222 1279104652 /nfs/dbraw/zinc/10/46/52/1279104652.db2.gz QZQPTDZSEKREFL-UHFFFAOYSA-N 1 0 343.427 2.598 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3ccn(C)c3)C2)cc1C ZINC001090985401 1279115575 /nfs/dbraw/zinc/11/55/75/1279115575.db2.gz ISNLAIZCVZREHF-UHFFFAOYSA-N 1 0 341.455 2.640 20 10 EFCDRO COc1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC=C(C)C)cc(OC)n1 ZINC001134873306 1287328546 /nfs/dbraw/zinc/32/85/46/1287328546.db2.gz VUHPZKZAMSXKEC-KGLIPLIRSA-N 1 0 335.448 2.552 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCCCNC2=O)c(C(F)(F)F)c1 ZINC000792796829 1279157578 /nfs/dbraw/zinc/15/75/78/1279157578.db2.gz DATJAIKMMFIXTB-OAHLLOKOSA-N 1 0 343.393 2.872 20 10 EFCDRO CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001134873422 1287329106 /nfs/dbraw/zinc/32/91/06/1287329106.db2.gz XEUSDDJYKOTSKF-KGLIPLIRSA-N 1 0 337.464 2.776 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]C[C@@H](OC)C2CC2)c1O ZINC000815152957 1287330601 /nfs/dbraw/zinc/33/06/01/1287330601.db2.gz BWYFBUZAKYXDGG-CYBMUJFWSA-N 1 0 330.222 2.678 20 10 EFCDRO O=S1(=O)CCC[C@@H](C[N@@H+](Cc2ccccc2O)C2CCCC2)C1 ZINC000792868366 1279202698 /nfs/dbraw/zinc/20/26/98/1279202698.db2.gz UMGCZSGFPNDGPH-HNNXBMFYSA-N 1 0 337.485 2.962 20 10 EFCDRO COc1ccc(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c(O)c1 ZINC000792842816 1279211142 /nfs/dbraw/zinc/21/11/42/1279211142.db2.gz UOSKVDXXGCMBNQ-CQSZACIVSA-N 1 0 349.475 2.711 20 10 EFCDRO CC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1O)C(C)(C)O ZINC000815155808 1287334171 /nfs/dbraw/zinc/33/41/71/1287334171.db2.gz XRFOWILGMCITDL-LBPRGKRZSA-N 1 0 332.238 2.802 20 10 EFCDRO COc1ccc(CNC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c(O)c1 ZINC000792914428 1279272361 /nfs/dbraw/zinc/27/23/61/1279272361.db2.gz RXEAEMYBHHJWLT-RBSFLKMASA-N 1 0 349.475 2.566 20 10 EFCDRO COc1ccc(CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c(O)c1 ZINC000792947621 1279298737 /nfs/dbraw/zinc/29/87/37/1279298737.db2.gz URKHDSNUACTGJB-INIZCTEOSA-N 1 0 337.464 2.566 20 10 EFCDRO COc1ccc(CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c(O)c1 ZINC000792947622 1279299640 /nfs/dbraw/zinc/29/96/40/1279299640.db2.gz URKHDSNUACTGJB-MRXNPFEDSA-N 1 0 337.464 2.566 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)COCC2CC2)c(C(F)(F)F)c1 ZINC000792954744 1279303459 /nfs/dbraw/zinc/30/34/59/1279303459.db2.gz QECUAZCOXJVCST-HNNXBMFYSA-N 1 0 346.393 2.649 20 10 EFCDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1cc(Cl)ccc1O ZINC000844914280 1279334928 /nfs/dbraw/zinc/33/49/28/1279334928.db2.gz GJXFZHBZCJRUDR-STQMWFEESA-N 1 0 339.867 2.965 20 10 EFCDRO C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)[NH+]1CCC(C)CC1 ZINC000844931884 1279349239 /nfs/dbraw/zinc/34/92/39/1279349239.db2.gz MUQJCXMWTAEJAH-ZDUSSCGKSA-N 1 0 339.867 2.965 20 10 EFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000844969247 1279366553 /nfs/dbraw/zinc/36/65/53/1279366553.db2.gz NOPIFXGBRJUTAO-CQSZACIVSA-N 1 0 325.840 2.719 20 10 EFCDRO COc1cccc(O)c1C[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000815141570 1287342956 /nfs/dbraw/zinc/34/29/56/1287342956.db2.gz BZXAWORXSZDKJM-UHFFFAOYSA-N 1 0 328.412 2.527 20 10 EFCDRO COc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c(O)c1 ZINC000793106148 1279379441 /nfs/dbraw/zinc/37/94/41/1279379441.db2.gz GKQLBMWWSZBFQE-OAHLLOKOSA-N 1 0 349.475 2.568 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845037911 1279407229 /nfs/dbraw/zinc/40/72/29/1279407229.db2.gz NRFZWTSVAXZQSG-CYBMUJFWSA-N 1 0 339.867 2.823 20 10 EFCDRO C[NH+](C)CC1(CNC(=O)NCc2cc(Cl)ccc2O)CCCC1 ZINC000845111750 1279441873 /nfs/dbraw/zinc/44/18/73/1279441873.db2.gz OVKJBSFHAWAYDY-UHFFFAOYSA-N 1 0 339.867 2.967 20 10 EFCDRO COC(=O)c1ccc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000822494564 1289014635 /nfs/dbraw/zinc/01/46/35/1289014635.db2.gz RBEJDAGIHOOYCP-CQSZACIVSA-N 1 0 344.411 2.691 20 10 EFCDRO Oc1ccc(Br)cc1CNc1ccc2c(n1)C[NH2+]CC2 ZINC001171174074 1279522435 /nfs/dbraw/zinc/52/24/35/1279522435.db2.gz GKTKPEIHVZYKLF-UHFFFAOYSA-N 1 0 334.217 2.808 20 10 EFCDRO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144500579 1279741250 /nfs/dbraw/zinc/74/12/50/1279741250.db2.gz VLCPFGODZSSHDI-INIZCTEOSA-N 1 0 343.379 2.511 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)[C@@H](C)CN1Cc1ccccc1 ZINC001144499876 1279741300 /nfs/dbraw/zinc/74/13/00/1279741300.db2.gz NIYTVFWLHTWJOV-CABCVRRESA-N 1 0 342.439 2.898 20 10 EFCDRO Cc1ccc(C)c(N2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)c1 ZINC001144500052 1279741715 /nfs/dbraw/zinc/74/17/15/1279741715.db2.gz NWUQCCSGPOMNFT-UHFFFAOYSA-N 1 0 328.412 2.742 20 10 EFCDRO Fc1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)ccc1N1CCOCC1 ZINC000793608974 1279755375 /nfs/dbraw/zinc/75/53/75/1279755375.db2.gz MFHQGICPIDBYRR-RBUKOAKNSA-N 1 0 334.435 2.806 20 10 EFCDRO Oc1cc(O)c(C[N@H+]2C[C@H]3[C@@H](CCN3Cc3ccccc3)C2)c(O)c1 ZINC001144509196 1279769525 /nfs/dbraw/zinc/76/95/25/1279769525.db2.gz ONJZSFFQLAJXRY-YJBOKZPZSA-N 1 0 340.423 2.510 20 10 EFCDRO CCCc1noc([C@@H]2CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)n1 ZINC001144514745 1279774205 /nfs/dbraw/zinc/77/42/05/1279774205.db2.gz QQFRSRHIAXUOHG-LLVKDONJSA-N 1 0 333.388 2.519 20 10 EFCDRO COC1(c2ccccc2)CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144515371 1279777224 /nfs/dbraw/zinc/77/72/24/1279777224.db2.gz LQJMPIIEDKDAGC-UHFFFAOYSA-N 1 0 329.396 2.941 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC3(COc4ccccc43)CC2)c(O)c1 ZINC001144515484 1279777939 /nfs/dbraw/zinc/77/79/39/1279777939.db2.gz QDINYVNBESETKQ-UHFFFAOYSA-N 1 0 327.380 2.730 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC3(Cc4ccccc4O3)CC2)c(O)c1 ZINC001144515401 1279778177 /nfs/dbraw/zinc/77/81/77/1279778177.db2.gz NCKQMNBIVHIMEQ-UHFFFAOYSA-N 1 0 327.380 2.773 20 10 EFCDRO Cc1ccnc(OC2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)c1 ZINC001144516107 1279778198 /nfs/dbraw/zinc/77/81/98/1279778198.db2.gz PNWLRUVJIRFKPK-UHFFFAOYSA-N 1 0 330.384 2.550 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(C)nc3sc(C)nn23)c1 ZINC000845971822 1279948258 /nfs/dbraw/zinc/94/82/58/1279948258.db2.gz NEQXORVEBRSYHU-SECBINFHSA-N 1 0 332.429 2.973 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)NC(=O)CO3)c1 ZINC000845973120 1279951144 /nfs/dbraw/zinc/95/11/44/1279951144.db2.gz XTPUNOXBUHSWMY-NSHDSACASA-N 1 0 328.368 2.583 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cccc(OC)c2O)cc1 ZINC000846053214 1280003515 /nfs/dbraw/zinc/00/35/15/1280003515.db2.gz SYCIWMLCDFDQAU-UHFFFAOYSA-N 1 0 330.428 2.978 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)C[C@H]1C1CC1 ZINC000846121982 1280026230 /nfs/dbraw/zinc/02/62/30/1280026230.db2.gz FAXLKRDMNCFCBJ-UONOGXRCSA-N 1 0 339.819 2.685 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c1O ZINC000846151467 1280038290 /nfs/dbraw/zinc/03/82/90/1280038290.db2.gz YWMIPNUBVJASIN-UAGQMJEPSA-N 1 0 334.460 2.695 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2=O)c1O ZINC000846150218 1280038893 /nfs/dbraw/zinc/03/88/93/1280038893.db2.gz BRRYRRITJYWADB-WFASDCNBSA-N 1 0 344.386 2.996 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)c1O ZINC000846138276 1280049649 /nfs/dbraw/zinc/04/96/49/1280049649.db2.gz JGDLQJGSGHOBKP-CQSZACIVSA-N 1 0 338.411 2.891 20 10 EFCDRO COCCOc1ccc(C[NH2+][C@H](C)c2cccc(OC)c2O)cn1 ZINC000846140797 1280049882 /nfs/dbraw/zinc/04/98/82/1280049882.db2.gz FGNGQLQFHGNMTQ-CYBMUJFWSA-N 1 0 332.400 2.672 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)c1O ZINC000846139415 1280049991 /nfs/dbraw/zinc/04/99/91/1280049991.db2.gz UJQSYNGBUUFXED-ZDUSSCGKSA-N 1 0 328.412 2.953 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CCCS(=O)(=O)c2ccccc2)c1O ZINC000846142637 1280050462 /nfs/dbraw/zinc/05/04/62/1280050462.db2.gz GAEGXYGOXVJBCA-AWEZNQCLSA-N 1 0 349.452 2.915 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)c1O ZINC000846142142 1280050839 /nfs/dbraw/zinc/05/08/39/1280050839.db2.gz CEBGWKDXEAYVGF-OCCSQVGLSA-N 1 0 335.375 2.630 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)c1O ZINC000846142819 1280050875 /nfs/dbraw/zinc/05/08/75/1280050875.db2.gz BJCJGLOGLOMFSL-ZDUSSCGKSA-N 1 0 344.411 2.577 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1O ZINC000846141142 1280051012 /nfs/dbraw/zinc/05/10/12/1280051012.db2.gz LAOOGARESGNMHA-NWDGAFQWSA-N 1 0 332.366 2.936 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1O ZINC000846141138 1280051137 /nfs/dbraw/zinc/05/11/37/1280051137.db2.gz LAOOGARESGNMHA-NEPJUHHUSA-N 1 0 332.366 2.936 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)c1O ZINC000846142140 1280051257 /nfs/dbraw/zinc/05/12/57/1280051257.db2.gz CEBGWKDXEAYVGF-GXTWGEPZSA-N 1 0 335.375 2.630 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c1O ZINC000846145507 1280052196 /nfs/dbraw/zinc/05/21/96/1280052196.db2.gz OELFYEURQFJCCZ-GOEBONIOSA-N 1 0 334.460 2.695 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000846145386 1280052530 /nfs/dbraw/zinc/05/25/30/1280052530.db2.gz ALDPAFLIVJUUNX-RHSMWYFYSA-N 1 0 340.423 2.853 20 10 EFCDRO CCN1C[C@@H](C[NH2+][C@@H](C)c2cc(Br)ccc2O)CC1=O ZINC000846208362 1280055411 /nfs/dbraw/zinc/05/54/11/1280055411.db2.gz IYKOHQPEEYOTEF-WDEREUQCSA-N 1 0 341.249 2.674 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(C[NH3+])cc2F)c1 ZINC000846201667 1280068990 /nfs/dbraw/zinc/06/89/90/1280068990.db2.gz QHYMFRLWFNKRKB-NSHDSACASA-N 1 0 347.390 2.559 20 10 EFCDRO C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc(Br)cc1O ZINC000846215203 1280072246 /nfs/dbraw/zinc/07/22/46/1280072246.db2.gz ZDBNQOPRQHULJE-ABAIWWIYSA-N 1 0 344.249 2.737 20 10 EFCDRO CC[N@H+](C)[C@H](C(=O)NCc1ccc(OC)cc1O)c1ccccc1 ZINC000794373147 1280157695 /nfs/dbraw/zinc/15/76/95/1280157695.db2.gz HSJBADJGDPQVPR-SFHVURJKSA-N 1 0 328.412 2.710 20 10 EFCDRO COc1ccc(N(C)CCN(C)C(=O)CCCC[NH+]2CCCC2)cc1 ZINC000846448139 1280169441 /nfs/dbraw/zinc/16/94/41/1280169441.db2.gz YYHGKXRSGPEZAC-UHFFFAOYSA-N 1 0 347.503 2.856 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)c2ccccc2CC[NH3+])cc1 ZINC000846673193 1280393672 /nfs/dbraw/zinc/39/36/72/1280393672.db2.gz QIKIPHKAVYCQKQ-UHFFFAOYSA-N 1 0 325.456 2.964 20 10 EFCDRO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000846703149 1280432181 /nfs/dbraw/zinc/43/21/81/1280432181.db2.gz LSDQJPBHVHYRQI-ZBFHGGJFSA-N 1 0 332.448 2.897 20 10 EFCDRO CC[N@H+](CC[C@H]1CCNC1=O)Cc1cc(Br)ccc1O ZINC000846809107 1280543768 /nfs/dbraw/zinc/54/37/68/1280543768.db2.gz MOLPRMPBIQRCCL-LLVKDONJSA-N 1 0 341.249 2.503 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H](C)c2ccncc2)cc1C ZINC001130195579 1280565701 /nfs/dbraw/zinc/56/57/01/1280565701.db2.gz VZLPUIZPGZQTIK-OAHLLOKOSA-N 1 0 341.455 2.798 20 10 EFCDRO CCN(C)c1ccc(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)cc1 ZINC000846931155 1280624784 /nfs/dbraw/zinc/62/47/84/1280624784.db2.gz YHBJGWAZQSPIBN-GOSISDBHSA-N 1 0 329.488 2.879 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc2ccc[nH]2)cc1C ZINC001146478901 1280930158 /nfs/dbraw/zinc/93/01/58/1280930158.db2.gz YCIHRLDUJSIBON-JKSUJKDBSA-N 1 0 343.471 2.947 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc2ccc[nH]2)cc1C ZINC001146478900 1280930316 /nfs/dbraw/zinc/93/03/16/1280930316.db2.gz YCIHRLDUJSIBON-HZPDHXFCSA-N 1 0 343.471 2.947 20 10 EFCDRO CSCC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)C(=O)N(C)C ZINC000806663522 1281127902 /nfs/dbraw/zinc/12/79/02/1281127902.db2.gz XILBIHWSDVFMEE-GWCFXTLKSA-N 1 0 330.881 2.906 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2oc(C(C)C)nc2C)cc1C ZINC001135008263 1287475469 /nfs/dbraw/zinc/47/54/69/1287475469.db2.gz FZZDOQXMQYCNQV-UHFFFAOYSA-N 1 0 345.443 2.943 20 10 EFCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000806846610 1281156342 /nfs/dbraw/zinc/15/63/42/1281156342.db2.gz VAIHQSCSVIKCPS-IBGZPJMESA-N 1 0 342.487 2.736 20 10 EFCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC001170526192 1281334244 /nfs/dbraw/zinc/33/42/44/1281334244.db2.gz XRANFNCCWGHMLO-BXKDBHETSA-N 1 0 328.206 2.586 20 10 EFCDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000807862632 1281443782 /nfs/dbraw/zinc/44/37/82/1281443782.db2.gz UACCOIRLKVAABJ-UHFFFAOYSA-N 1 0 347.440 2.986 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(C)cc2OC)cc1C ZINC001148460876 1281561284 /nfs/dbraw/zinc/56/12/84/1281561284.db2.gz CQOSWWBIOXSHEM-UHFFFAOYSA-N 1 0 342.439 2.840 20 10 EFCDRO Cn1cnc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000808390552 1281699552 /nfs/dbraw/zinc/69/95/52/1281699552.db2.gz YARIXPNHUVZRFA-OAHLLOKOSA-N 1 0 334.851 2.533 20 10 EFCDRO COc1cccc(O)c1C[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000808436864 1281711008 /nfs/dbraw/zinc/71/10/08/1281711008.db2.gz SJIIOULHNDAMBG-AWEZNQCLSA-N 1 0 344.411 2.501 20 10 EFCDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(N(C)C)c(F)c3)[C@H]2C1 ZINC000808445223 1281713860 /nfs/dbraw/zinc/71/38/60/1281713860.db2.gz BKXXSBUCXVHSHH-XYJFISCASA-N 1 0 333.451 2.628 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)c1 ZINC000808448072 1281715374 /nfs/dbraw/zinc/71/53/74/1281715374.db2.gz WWKLJQDOAXCKCQ-ZTFGCOKTSA-N 1 0 332.444 2.528 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H](O)c1ccccc1 ZINC000808446825 1281715394 /nfs/dbraw/zinc/71/53/94/1281715394.db2.gz WWSOTYOWCDHVQT-OXQOHEQNSA-N 1 0 326.440 2.735 20 10 EFCDRO CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)c1O ZINC000808445774 1281715551 /nfs/dbraw/zinc/71/55/51/1281715551.db2.gz ZIBSBODARFCPIH-IXDOHACOSA-N 1 0 332.444 2.528 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)c1 ZINC000808448071 1281715604 /nfs/dbraw/zinc/71/56/04/1281715604.db2.gz WWKLJQDOAXCKCQ-JCGIZDLHSA-N 1 0 332.444 2.528 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2c(F)cccc2F)cc1C ZINC001148916359 1281806478 /nfs/dbraw/zinc/80/64/78/1281806478.db2.gz VBSROMXWJRMMOK-UHFFFAOYSA-N 1 0 334.366 2.801 20 10 EFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCN2CCC(O)CC2)c1O ZINC000808679827 1281840444 /nfs/dbraw/zinc/84/04/44/1281840444.db2.gz BMGTWLUVEGHHDO-CYBMUJFWSA-N 1 0 326.868 2.851 20 10 EFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c1O ZINC000808706350 1281866362 /nfs/dbraw/zinc/86/63/62/1281866362.db2.gz HWMIKLQRJAACPJ-LLVKDONJSA-N 1 0 331.865 2.829 20 10 EFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c1O ZINC000808713076 1281868802 /nfs/dbraw/zinc/86/88/02/1281868802.db2.gz LBLBJSYDLUNERG-GXTWGEPZSA-N 1 0 341.835 2.927 20 10 EFCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808712766 1281869629 /nfs/dbraw/zinc/86/96/29/1281869629.db2.gz BFSUSTWERLVXMT-VBNZEHGJSA-N 1 0 343.851 2.825 20 10 EFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C)CN2CCOCC2)c1O ZINC000808697891 1281877756 /nfs/dbraw/zinc/87/77/56/1281877756.db2.gz YGHRJZXVYKUVOE-JSGCOSHPSA-N 1 0 326.868 2.973 20 10 EFCDRO CC[C@@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)C(=O)N1CCOCC1 ZINC000808700381 1281878969 /nfs/dbraw/zinc/87/89/69/1281878969.db2.gz FONGEBUAUPVAPS-SWLSCSKDSA-N 1 0 340.851 2.642 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2nccc3occc32)cc1C ZINC001131610707 1282094006 /nfs/dbraw/zinc/09/40/06/1282094006.db2.gz DVVIFSFWTQHREA-UHFFFAOYSA-N 1 0 339.395 2.664 20 10 EFCDRO CNC(=O)CC[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809567796 1282285785 /nfs/dbraw/zinc/28/57/85/1282285785.db2.gz QEPDLJYNWNKUJO-UHFFFAOYSA-N 1 0 337.467 2.817 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(C(=O)OC)n(C)c2)cc1 ZINC000809607081 1282315303 /nfs/dbraw/zinc/31/53/03/1282315303.db2.gz OHQSGPLJVSNUKB-UHFFFAOYSA-N 1 0 329.444 2.948 20 10 EFCDRO CN(C)c1ccc(C[NH2+]Cc2cnc(C3OCCO3)s2)cc1F ZINC000809611341 1282316784 /nfs/dbraw/zinc/31/67/84/1282316784.db2.gz ZHFYDVXGHWYERS-UHFFFAOYSA-N 1 0 337.420 2.683 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)cc1 ZINC000809700941 1282390466 /nfs/dbraw/zinc/39/04/66/1282390466.db2.gz RPXXTYQPIIYAET-FXAWDEMLSA-N 1 0 331.504 2.828 20 10 EFCDRO CN(CCC[NH+](C)C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809729891 1282410431 /nfs/dbraw/zinc/41/04/31/1282410431.db2.gz RNKAHMUYIOEMKD-UHFFFAOYSA-N 1 0 334.464 2.969 20 10 EFCDRO COC(=O)N1CCC(C[NH2+]Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000809710562 1282420989 /nfs/dbraw/zinc/42/09/89/1282420989.db2.gz SNJPZLOYCODSPR-UHFFFAOYSA-N 1 0 342.823 2.622 20 10 EFCDRO Cc1cc(Br)cc(C[N@H+](C)C[C@H](O)C(F)(F)F)c1O ZINC000809750813 1282454863 /nfs/dbraw/zinc/45/48/63/1282454863.db2.gz JBXUYCJTYRCQRG-JTQLQIEISA-N 1 0 342.155 2.818 20 10 EFCDRO COc1cccc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC(C)C)c1O ZINC000809721499 1282425305 /nfs/dbraw/zinc/42/53/05/1282425305.db2.gz ZBIDPGYOLUNJOU-OAHLLOKOSA-N 1 0 336.432 2.890 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2COC(=O)NC(C)C)c1 ZINC000809720278 1282426177 /nfs/dbraw/zinc/42/61/77/1282426177.db2.gz CSBFSLHNHKHADP-OAHLLOKOSA-N 1 0 336.432 2.890 20 10 EFCDRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2cccc(C)c2O)s1 ZINC000809721298 1282427745 /nfs/dbraw/zinc/42/77/45/1282427745.db2.gz PFIUMHTXNCFEGO-RYUDHWBXSA-N 1 0 348.472 2.867 20 10 EFCDRO C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000809767656 1282431038 /nfs/dbraw/zinc/43/10/38/1282431038.db2.gz QHTWICGIPMOWDM-SMDDNHRTSA-N 1 0 339.823 2.870 20 10 EFCDRO C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000809767655 1282431436 /nfs/dbraw/zinc/43/14/36/1282431436.db2.gz QHTWICGIPMOWDM-RISCZKNCSA-N 1 0 339.823 2.870 20 10 EFCDRO C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000809767654 1282431509 /nfs/dbraw/zinc/43/15/09/1282431509.db2.gz QHTWICGIPMOWDM-FZMZJTMJSA-N 1 0 339.823 2.870 20 10 EFCDRO COCCN(CC[NH+](C)C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809741343 1282441398 /nfs/dbraw/zinc/44/13/98/1282441398.db2.gz SDMXRFAAFWEICF-UHFFFAOYSA-N 1 0 347.425 2.781 20 10 EFCDRO CN(C)c1ccc(CN(CC[NH+](C)C)Cc2ccccn2)cc1F ZINC000809740973 1282441620 /nfs/dbraw/zinc/44/16/20/1282441620.db2.gz LJEPPSBFEACMPL-UHFFFAOYSA-N 1 0 330.451 2.851 20 10 EFCDRO CN(C)C[C@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815577158 1287608730 /nfs/dbraw/zinc/60/87/30/1287608730.db2.gz IBBBPWTYYMGWTK-MJGOQNOKSA-N 1 0 328.456 2.578 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@H](CO)C2CCCC2)c1O ZINC000810177584 1283008032 /nfs/dbraw/zinc/00/80/32/1283008032.db2.gz AVBVIUHAOYNBFT-CYBMUJFWSA-N 1 0 344.249 2.804 20 10 EFCDRO CC[C@H]([NH2+]CC(=O)NCC1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810234242 1283066914 /nfs/dbraw/zinc/06/69/14/1283066914.db2.gz AQLNBIQBDMDNQG-ZDUSSCGKSA-N 1 0 330.350 2.978 20 10 EFCDRO CC[C@@H]([NH2+][C@H](C)C(=O)NCCF)c1ccc(C(F)(F)F)cc1O ZINC000810240876 1283094812 /nfs/dbraw/zinc/09/48/12/1283094812.db2.gz HTHFBXNYWLBMMB-BXKDBHETSA-N 1 0 336.329 2.926 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2csnn2)cc1C ZINC001135106728 1287630360 /nfs/dbraw/zinc/63/03/60/1287630360.db2.gz QFNKYUVXWDJPQR-STQMWFEESA-N 1 0 348.472 2.542 20 10 EFCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)c(O)c1 ZINC000815573661 1287632049 /nfs/dbraw/zinc/63/20/49/1287632049.db2.gz PUDIJCUBIUCXGF-IRXDYDNUSA-N 1 0 347.503 2.602 20 10 EFCDRO CN1CC[C@](O)(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815616175 1287639337 /nfs/dbraw/zinc/63/93/37/1287639337.db2.gz IBWPXXLXYWLCOX-FPOVZHCZSA-N 1 0 340.467 2.722 20 10 EFCDRO CCOCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001132613452 1284009232 /nfs/dbraw/zinc/00/92/32/1284009232.db2.gz HBWPMLSKFYMOMV-CRAIPNDOSA-N 1 0 348.487 2.614 20 10 EFCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCCC12OCCO2 ZINC000715595270 1284235808 /nfs/dbraw/zinc/23/58/08/1284235808.db2.gz KBEOFOBPGLLKTI-CYBMUJFWSA-N 1 0 328.206 2.540 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN3CCOCc4ccccc43)cc2)CC1 ZINC000811508112 1284386354 /nfs/dbraw/zinc/38/63/54/1284386354.db2.gz AMXCSYUKNVIIAS-UHFFFAOYSA-N 1 0 337.467 2.975 20 10 EFCDRO COc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)c2ncc[nH]2)cc1C ZINC001170658817 1284820930 /nfs/dbraw/zinc/82/09/30/1284820930.db2.gz XPZHCACYJDJWNE-OAHLLOKOSA-N 1 0 344.459 2.805 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H](C)C(F)(F)F)cc1C ZINC001133235127 1285029181 /nfs/dbraw/zinc/02/91/81/1285029181.db2.gz RRYVZEZMHIWTBJ-LBPRGKRZSA-N 1 0 332.366 2.798 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)CC(F)(F)F)cc1C ZINC001133268538 1285104745 /nfs/dbraw/zinc/10/47/45/1285104745.db2.gz DITPDPJBADDHQL-LBPRGKRZSA-N 1 0 332.366 2.798 20 10 EFCDRO C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C[NH2+]CCF ZINC001133353538 1285247209 /nfs/dbraw/zinc/24/72/09/1285247209.db2.gz DLTAMYBQRLBJHS-JSGCOSHPSA-N 1 0 349.410 2.506 20 10 EFCDRO CN(C)c1ccc(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc1 ZINC000812778285 1285410771 /nfs/dbraw/zinc/41/07/71/1285410771.db2.gz ISSQCAGLYZOPLO-HXUWFJFHSA-N 1 0 325.456 2.931 20 10 EFCDRO CCOc1ccc(O)c(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1 ZINC000812778954 1285412297 /nfs/dbraw/zinc/41/22/97/1285412297.db2.gz RSQJOXLQVMLVPW-SFHVURJKSA-N 1 0 342.439 2.970 20 10 EFCDRO O=C(C[NH2+][C@H]1CCc2cc(F)c(F)cc2C1)c1ccc(O)c(O)c1 ZINC001171464034 1285560102 /nfs/dbraw/zinc/56/01/02/1285560102.db2.gz ZQFNRHZGRMLOOB-ZDUSSCGKSA-N 1 0 333.334 2.706 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H](C)c2cccnc2)cc1C ZINC001171503410 1285612870 /nfs/dbraw/zinc/61/28/70/1285612870.db2.gz LDVRLBZEIKONQW-MRXNPFEDSA-N 1 0 341.455 2.798 20 10 EFCDRO CNC(=O)C1CC[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000813065644 1285627039 /nfs/dbraw/zinc/62/70/39/1285627039.db2.gz ZVJAMTKDGPJTCK-UHFFFAOYSA-N 1 0 334.460 2.656 20 10 EFCDRO COc1cc(C(=O)N[C@@H](C)CCCC[NH2+]CCC2CC2)cc(OC)n1 ZINC001171676296 1285708689 /nfs/dbraw/zinc/70/86/89/1285708689.db2.gz AIMMQFFXFFGRPJ-AWEZNQCLSA-N 1 0 349.475 2.777 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)cc1 ZINC001171720257 1285739003 /nfs/dbraw/zinc/73/90/03/1285739003.db2.gz ODVBSMUNRSNGJU-MRXNPFEDSA-N 1 0 347.459 2.720 20 10 EFCDRO C[C@H]1C[C@H]([NH2+]CCc2cc(O)c(O)cc2O)CN1Cc1ccccc1 ZINC001171727429 1285744170 /nfs/dbraw/zinc/74/41/70/1285744170.db2.gz CHALFVFELRPZDR-YOEHRIQHSA-N 1 0 342.439 2.599 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(O)c(O)c2)CN1Cc1ccccc1 ZINC001171728213 1285746016 /nfs/dbraw/zinc/74/60/16/1285746016.db2.gz LMVLJFLUUAXTMS-CRAIPNDOSA-N 1 0 326.440 2.893 20 10 EFCDRO Fc1cccc2c1C[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC001171773590 1285779809 /nfs/dbraw/zinc/77/98/09/1285779809.db2.gz MKPIUPMQAVFVQS-QGZVFWFLSA-N 1 0 326.415 2.919 20 10 EFCDRO COc1ccsc1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001171775274 1285780785 /nfs/dbraw/zinc/78/07/85/1285780785.db2.gz UAYFNODCEAFXGG-UHFFFAOYSA-N 1 0 348.468 2.983 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)COc2ccccc2)cc1C ZINC001171897456 1285884295 /nfs/dbraw/zinc/88/42/95/1285884295.db2.gz DQCHRAYCANEMRW-UHFFFAOYSA-N 1 0 342.439 2.679 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2cocn2)cc1C ZINC001133945819 1286154363 /nfs/dbraw/zinc/15/43/63/1286154363.db2.gz NFHCJKQLYALHDZ-UONOGXRCSA-N 1 0 331.416 2.678 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C2(C(C)(F)F)CC2)cc1C ZINC001133961124 1286165366 /nfs/dbraw/zinc/16/53/66/1286165366.db2.gz WXACNDHEFKEIHU-UHFFFAOYSA-N 1 0 326.387 2.645 20 10 EFCDRO CCOc1ccc(N2CC[NH+]([C@H]3CCC[C@@H](C(=O)OC)C3)CC2)cc1 ZINC001172638847 1286215370 /nfs/dbraw/zinc/21/53/70/1286215370.db2.gz ZBOPQQCXJOGIMC-AEFFLSMTSA-N 1 0 346.471 2.939 20 10 EFCDRO COC(=O)[C@H]1CCC[C@H]([NH+]2CCN(c3ccc(OC)cc3C)CC2)C1 ZINC001172638365 1286215622 /nfs/dbraw/zinc/21/56/22/1286215622.db2.gz WTNNVXHROHJPSV-IRXDYDNUSA-N 1 0 346.471 2.857 20 10 EFCDRO O=C1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCN1Cc1ccccc1 ZINC001172662516 1286223812 /nfs/dbraw/zinc/22/38/12/1286223812.db2.gz AKLKOCNIFKRYLX-LJQANCHMSA-N 1 0 336.435 2.902 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000814178532 1286360991 /nfs/dbraw/zinc/36/09/91/1286360991.db2.gz UCKIRQLIXAWIGR-INIZCTEOSA-N 1 0 339.277 2.991 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2coc(C)n2)cc1C ZINC001134173466 1286411094 /nfs/dbraw/zinc/41/10/94/1286411094.db2.gz TWZYFDZNULCQBV-KGLIPLIRSA-N 1 0 345.443 2.987 20 10 EFCDRO CC(C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001095065069 1286474157 /nfs/dbraw/zinc/47/41/57/1286474157.db2.gz UPDCZZCHSFMOCK-RCBQFDQVSA-N 1 0 343.431 2.840 20 10 EFCDRO Cc1cc(O)c(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1Br ZINC001206196401 1286486798 /nfs/dbraw/zinc/48/67/98/1286486798.db2.gz BZMCLYDWXCAMBS-QWHCGFSZSA-N 1 0 331.229 2.724 20 10 EFCDRO Cc1cc(O)c(CN2CC[C@H]([NH3+])[C@@H](F)CC2)cc1Br ZINC001206196402 1286486868 /nfs/dbraw/zinc/48/68/68/1286486868.db2.gz BZMCLYDWXCAMBS-STQMWFEESA-N 1 0 331.229 2.724 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc(C)cc(F)c2)cc1C ZINC001134251352 1286489945 /nfs/dbraw/zinc/48/99/45/1286489945.db2.gz JMEGOMYZULTZAA-UHFFFAOYSA-N 1 0 330.403 2.971 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2n[nH]cc2C)cc1C ZINC001134303261 1286545082 /nfs/dbraw/zinc/54/50/82/1286545082.db2.gz QNGUKJNQIFBTSN-HUUCEWRRSA-N 1 0 344.459 2.722 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC2(O)CCC2)cc1C ZINC001134308580 1286549396 /nfs/dbraw/zinc/54/93/96/1286549396.db2.gz UUKSRPVKICAEEC-HOTGVXAUSA-N 1 0 348.487 2.682 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)CC[C@@H]2CCCCO2)cc1C ZINC001134573981 1286935760 /nfs/dbraw/zinc/93/57/60/1286935760.db2.gz JKYXTFIPQLCLMZ-KRWDZBQOSA-N 1 0 334.460 2.559 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@H](C)[C@H]2CCCO2)cc1C ZINC001174628778 1287085259 /nfs/dbraw/zinc/08/52/59/1287085259.db2.gz HAHTWOXAYCPZFQ-QFBILLFUSA-N 1 0 348.487 2.805 20 10 EFCDRO C[C@@H](CCCC[NH2+]CCF)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001176791961 1288115357 /nfs/dbraw/zinc/11/53/57/1288115357.db2.gz MPNYGJDRFYBFTN-LBPRGKRZSA-N 1 0 337.399 2.697 20 10 EFCDRO [O-]c1cc(F)c(Cl)cc1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000816484659 1288155178 /nfs/dbraw/zinc/15/51/78/1288155178.db2.gz KOKSKCVAZBMVGL-AWEZNQCLSA-N 1 0 342.842 2.871 20 10 EFCDRO CC(C)[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)N1CCOCC1 ZINC000816531335 1288190996 /nfs/dbraw/zinc/19/09/96/1288190996.db2.gz OHCDRTJMISTOST-LJQANCHMSA-N 1 0 328.456 2.992 20 10 EFCDRO CCN1CC[NH+](CCCC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816534966 1288195077 /nfs/dbraw/zinc/19/50/77/1288195077.db2.gz ALPKMUVWAGWDAK-UHFFFAOYSA-N 1 0 343.874 2.692 20 10 EFCDRO Oc1c(C[NH2+]Cc2ccc(-n3cncn3)nc2)ccc2ccccc21 ZINC000816535564 1288196382 /nfs/dbraw/zinc/19/63/82/1288196382.db2.gz SNWXTKNRGKVACL-UHFFFAOYSA-N 1 0 331.379 2.811 20 10 EFCDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCCSc2nccs2)C1 ZINC000816553460 1288210404 /nfs/dbraw/zinc/21/04/04/1288210404.db2.gz WEQSRARPPHSUTN-VXGBXAGGSA-N 1 0 334.532 2.571 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+][C@H](CC(N)=O)c2ccccc2)c1O ZINC000816652391 1288229337 /nfs/dbraw/zinc/22/93/37/1288229337.db2.gz JEJSMZDESZXHAS-CQSZACIVSA-N 1 0 334.803 2.761 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000816657100 1288230887 /nfs/dbraw/zinc/23/08/87/1288230887.db2.gz KGQXYRDRUPGHJT-FQEVSTJZSA-N 1 0 342.483 2.914 20 10 EFCDRO CC[C@H]1C[N@H+](C)CCN1Cc1cc(Br)cc(OC)c1O ZINC000816660350 1288232140 /nfs/dbraw/zinc/23/21/40/1288232140.db2.gz AICLXAPHJURMDX-ZDUSSCGKSA-N 1 0 343.265 2.689 20 10 EFCDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](O)CC2)ccc1N1CCCCC1 ZINC000816667086 1288235861 /nfs/dbraw/zinc/23/58/61/1288235861.db2.gz CIJNUWBTGGUDHZ-MRXNPFEDSA-N 1 0 333.432 2.932 20 10 EFCDRO CC(C)[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCCO1 ZINC000816676207 1288241386 /nfs/dbraw/zinc/24/13/86/1288241386.db2.gz VMJXCCIQKFHCMT-IBGZPJMESA-N 1 0 336.451 2.909 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2nc(C)c[nH]2)cc1C ZINC001135666780 1288246145 /nfs/dbraw/zinc/24/61/45/1288246145.db2.gz IKMDZTZIQQPOHB-UONOGXRCSA-N 1 0 344.459 2.722 20 10 EFCDRO CCOCc1cc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)ccc1OC ZINC000816667701 1288250373 /nfs/dbraw/zinc/25/03/73/1288250373.db2.gz UQTWZIPEWURRTJ-WOJBJXKFSA-N 1 0 349.471 2.641 20 10 EFCDRO O=C(NCc1ccc(O)cc1O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000822972716 1289171004 /nfs/dbraw/zinc/17/10/04/1289171004.db2.gz XOJGOQZLKAUHFV-UHFFFAOYSA-N 1 0 330.384 2.607 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000817178729 1288451619 /nfs/dbraw/zinc/45/16/19/1288451619.db2.gz INRQGFNSTOBJKX-UHFFFAOYSA-N 1 0 332.492 2.767 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2oncc2C)cc1C ZINC001135848749 1288481678 /nfs/dbraw/zinc/48/16/78/1288481678.db2.gz MQGAHIZMOXHOEU-CABCVRRESA-N 1 0 345.443 2.987 20 10 EFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C)C[C@H](CO)C3)cc2)CC1 ZINC000817281663 1288501166 /nfs/dbraw/zinc/50/11/66/1288501166.db2.gz NPYRXURZDYHRHV-AEFFLSMTSA-N 1 0 332.488 2.752 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2nocc2C)cc1C ZINC001135876059 1288533585 /nfs/dbraw/zinc/53/35/85/1288533585.db2.gz JMPQCVORGRNVLZ-CABCVRRESA-N 1 0 345.443 2.987 20 10 EFCDRO Cc1cc(Br)cc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c1O ZINC000817411979 1288590541 /nfs/dbraw/zinc/59/05/41/1288590541.db2.gz ALQVXVHUSGZNSA-CMPLNLGQSA-N 1 0 328.250 2.913 20 10 EFCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c1O ZINC000817411982 1288590569 /nfs/dbraw/zinc/59/05/69/1288590569.db2.gz ALQVXVHUSGZNSA-ZYHUDNBSSA-N 1 0 328.250 2.913 20 10 EFCDRO COc1cc(Br)cc(CN(C)C[C@@H]2CCC[N@@H+]2C)c1O ZINC000817417910 1288593578 /nfs/dbraw/zinc/59/35/78/1288593578.db2.gz WKZGONGDNFXYON-ZDUSSCGKSA-N 1 0 343.265 2.689 20 10 EFCDRO c1cnc2c(c1)CC[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000817573093 1288657793 /nfs/dbraw/zinc/65/77/93/1288657793.db2.gz AOYWRKUNOPXULL-LJQANCHMSA-N 1 0 337.467 2.955 20 10 EFCDRO CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001178182112 1288692665 /nfs/dbraw/zinc/69/26/65/1288692665.db2.gz GVSLDJGVQXBEJF-ZOBUZTSGSA-N 1 0 334.460 2.508 20 10 EFCDRO CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001178182111 1288693204 /nfs/dbraw/zinc/69/32/04/1288693204.db2.gz GVSLDJGVQXBEJF-UXLLHSPISA-N 1 0 334.460 2.508 20 10 EFCDRO COc1cc(NC(=O)C[NH2+]Cc2ccc(OC)c(C)c2)cc(OC)c1 ZINC000822489354 1288989698 /nfs/dbraw/zinc/98/96/98/1288989698.db2.gz BCDUTFHKFDFAOO-UHFFFAOYSA-N 1 0 344.411 2.749 20 10 EFCDRO C[N@H+](CC(=O)NCc1cccc(Br)c1O)CC(C)(C)C ZINC000822459022 1288998086 /nfs/dbraw/zinc/99/80/86/1288998086.db2.gz NKMDNPGNBAQCFS-UHFFFAOYSA-N 1 0 343.265 2.749 20 10 EFCDRO C[N@@H+]1C[C@@H]2CCCN(Cc3cc(Br)ccc3O)[C@@H]2C1 ZINC000822520942 1289007804 /nfs/dbraw/zinc/00/78/04/1289007804.db2.gz SPAHYRZBFUNKMD-SMDDNHRTSA-N 1 0 325.250 2.681 20 10 EFCDRO CC(C)(C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001277656443 1312689487 /nfs/dbraw/zinc/68/94/87/1312689487.db2.gz CHHQGIWYQDUTLU-HNNXBMFYSA-N 1 0 332.444 2.615 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001179684042 1289219015 /nfs/dbraw/zinc/21/90/15/1289219015.db2.gz JJEYOHDMFJRTBU-DYLHUKMJSA-N 1 0 330.428 2.588 20 10 EFCDRO Cc1ncncc1[C@@H](C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903447768 1312694064 /nfs/dbraw/zinc/69/40/64/1312694064.db2.gz CEWJQMADEKMNOR-KUHUBIRLSA-N 1 0 327.476 2.805 20 10 EFCDRO CC(C)n1cc([C@H](C)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1 ZINC000903447922 1312694168 /nfs/dbraw/zinc/69/41/68/1312694168.db2.gz GBRPBTPPZJQVOX-KXBFYZLASA-N 1 0 344.507 2.879 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@@](C)(CO)CC2)c2ccccc2n1C ZINC001232401647 1312694340 /nfs/dbraw/zinc/69/43/40/1312694340.db2.gz AJUMCACSOURQQQ-HXUWFJFHSA-N 1 0 344.455 2.949 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@](O)(CF)CC2)c2ccccc2n1C ZINC001232403374 1312694623 /nfs/dbraw/zinc/69/46/23/1312694623.db2.gz WUTBZZYTAABBIT-LJQANCHMSA-N 1 0 348.418 2.651 20 10 EFCDRO CC[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1nccn1C ZINC000903448585 1312694615 /nfs/dbraw/zinc/69/46/15/1312694615.db2.gz QHCIZRKLGMAEHU-MSOLQXFVSA-N 1 0 329.492 2.830 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CCCn3ccnc32)N(C)C)cc1 ZINC000903448378 1312694949 /nfs/dbraw/zinc/69/49/49/1312694949.db2.gz ODSYWFHKIFHMKQ-ZWKOTPCHSA-N 1 0 327.476 2.677 20 10 EFCDRO COC(=O)c1c(CN2CC[C@@H]([N@H+](C)C3CC3)C2)c2ccccc2n1C ZINC001232404058 1312695277 /nfs/dbraw/zinc/69/52/77/1312695277.db2.gz KSHBOLXBWHLREH-OAHLLOKOSA-N 1 0 341.455 2.633 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCCn3nccc32)N(C)C)cc1 ZINC000903449129 1312695266 /nfs/dbraw/zinc/69/52/66/1312695266.db2.gz VNNMKMATVDFWMS-HKUYNNGSSA-N 1 0 327.476 2.677 20 10 EFCDRO CCO[C@H]1CCC[N@H+](Cc2c3ccccc3n(C)c2C(=O)OC)C1 ZINC001232407821 1312695414 /nfs/dbraw/zinc/69/54/14/1312695414.db2.gz URVVUGNMRCYIBE-AWEZNQCLSA-N 1 0 330.428 2.966 20 10 EFCDRO Oc1ccc([C@@H](O)C[NH2+][C@H]2CCc3c(Cl)cccc3C2)cc1O ZINC001171013367 1289266988 /nfs/dbraw/zinc/26/69/88/1289266988.db2.gz UADFPMRQFRCFCE-UGSOOPFHSA-N 1 0 333.815 2.932 20 10 EFCDRO CCCC[NH+]1CCN(Cc2c3ccccc3n(C)c2C(=O)OC)CC1 ZINC001232407519 1312695835 /nfs/dbraw/zinc/69/58/35/1312695835.db2.gz QBPFVSYQMSDEIN-UHFFFAOYSA-N 1 0 343.471 2.883 20 10 EFCDRO COC(=O)c1c(C[NH+]2CCC(C(C)=O)CC2)c2ccccc2n1C ZINC001232408175 1312695951 /nfs/dbraw/zinc/69/59/51/1312695951.db2.gz XOXUQZMQCMKJFD-UHFFFAOYSA-N 1 0 328.412 2.766 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCCc3nn(C)cc32)N(C)C)cc1 ZINC000903448981 1312696029 /nfs/dbraw/zinc/69/60/29/1312696029.db2.gz UYGJEVCAKISKLU-QUCCMNQESA-N 1 0 341.503 2.756 20 10 EFCDRO COC(=O)c1c(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c2ccccc2n1C ZINC001232409600 1312696504 /nfs/dbraw/zinc/69/65/04/1312696504.db2.gz FTVMZFSXSQYVCU-UONOGXRCSA-N 1 0 330.428 2.964 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)[C@H]2CCNC2=O)cc1 ZINC000823489849 1289320343 /nfs/dbraw/zinc/32/03/43/1289320343.db2.gz OIOCDBMSNHAQGW-KRWDZBQOSA-N 1 0 329.469 2.705 20 10 EFCDRO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1cc3c(cc1O)OCO3)CC2 ZINC000872811553 1289398774 /nfs/dbraw/zinc/39/87/74/1289398774.db2.gz LALQEHHKOZBDQX-UHFFFAOYSA-N 1 0 340.379 2.638 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCC1 ZINC000823851673 1289470146 /nfs/dbraw/zinc/47/01/46/1289470146.db2.gz VNKPHDHXNINPAK-SFHVURJKSA-N 1 0 336.501 2.590 20 10 EFCDRO CC[NH+](CC)CC(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001180385358 1289502337 /nfs/dbraw/zinc/50/23/37/1289502337.db2.gz GGOVUDDBJZZTLJ-OYVOPSJISA-N 1 0 326.404 2.947 20 10 EFCDRO Cc1cc(CC[NH2+][C@H]2CCNC(=O)CC2)c(C)n1-c1ccccc1 ZINC000873009378 1289516682 /nfs/dbraw/zinc/51/66/82/1289516682.db2.gz KINNNTQFNAMTFU-GOSISDBHSA-N 1 0 325.456 2.895 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1Cn1cccn1 ZINC000873012464 1289519466 /nfs/dbraw/zinc/51/94/66/1289519466.db2.gz JCZBXJOSLZDCPW-QGZVFWFLSA-N 1 0 340.471 2.514 20 10 EFCDRO COc1ccc(C[NH2+]Cc2c(C)noc2C)cc1Cn1cccn1 ZINC000873022474 1289525946 /nfs/dbraw/zinc/52/59/46/1289525946.db2.gz NOZFAJXJOMOXPC-UHFFFAOYSA-N 1 0 326.400 2.835 20 10 EFCDRO COc1ccc(C[NH2+]CCOC2CCCC2)cc1Cn1cccn1 ZINC000873026961 1289528527 /nfs/dbraw/zinc/52/85/27/1289528527.db2.gz RUTSVCRKKXFYHC-UHFFFAOYSA-N 1 0 329.444 2.989 20 10 EFCDRO CCOCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001180475115 1289532003 /nfs/dbraw/zinc/53/20/03/1289532003.db2.gz OWHLPZNMDVDCME-OXQOHEQNSA-N 1 0 348.487 2.614 20 10 EFCDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873051310 1289540597 /nfs/dbraw/zinc/54/05/97/1289540597.db2.gz HUDBQJBOMRSVSM-HNAYVOBHSA-N 1 0 331.460 2.827 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)cc1C ZINC000873069174 1289551703 /nfs/dbraw/zinc/55/17/03/1289551703.db2.gz IDJYEAMLXKHRGI-GOSISDBHSA-N 1 0 346.471 2.653 20 10 EFCDRO CCCOc1ccc(C[NH2+]C2(CC(=O)OC)CCOCC2)cc1C ZINC000873073472 1289554065 /nfs/dbraw/zinc/55/40/65/1289554065.db2.gz VSEIAMLEXFDCFX-UHFFFAOYSA-N 1 0 335.444 2.986 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)Cc2cc(C)n[nH]2)cc1Cn1cccn1 ZINC000873079858 1289557726 /nfs/dbraw/zinc/55/77/26/1289557726.db2.gz ITXWPFNUWHHSHC-CQSZACIVSA-N 1 0 339.443 2.692 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCO[C@H](C)C2)cc1Cn1cccn1 ZINC000873099316 1289567606 /nfs/dbraw/zinc/56/76/06/1289567606.db2.gz WJDHYCPDABUVSU-WBVHZDCISA-N 1 0 329.444 2.845 20 10 EFCDRO COc1ccc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)cc1Cn1cccn1 ZINC000873103686 1289568445 /nfs/dbraw/zinc/56/84/45/1289568445.db2.gz GLSLATNWOOFXTH-VQTJNVASSA-N 1 0 341.455 2.987 20 10 EFCDRO COc1ccc(C[NH2+]CC2(CO)CCCC2)cc1Cn1cccn1 ZINC000873107121 1289569976 /nfs/dbraw/zinc/56/99/76/1289569976.db2.gz JJKHFNCVMNGALU-UHFFFAOYSA-N 1 0 329.444 2.582 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)cc1Cn1cccn1 ZINC000873107837 1289570219 /nfs/dbraw/zinc/57/02/19/1289570219.db2.gz RABXRXHHHQKQAO-ICSRJNTNSA-N 1 0 341.455 2.987 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cc1Cn1cccn1 ZINC000873107836 1289570302 /nfs/dbraw/zinc/57/03/02/1289570302.db2.gz RABXRXHHHQKQAO-AZUAARDMSA-N 1 0 341.455 2.987 20 10 EFCDRO COC(=O)C(C)(C)CC[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873126547 1289582563 /nfs/dbraw/zinc/58/25/63/1289582563.db2.gz UIYNILFURQPTIL-UHFFFAOYSA-N 1 0 345.443 2.619 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](OC)C23CCC3)cc1Cn1cccn1 ZINC000873130983 1289586564 /nfs/dbraw/zinc/58/65/64/1289586564.db2.gz NFUGSPYZWKLGTG-OALUTQOASA-N 1 0 341.455 2.987 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)cc1Cn1cccn1 ZINC000873132112 1289587502 /nfs/dbraw/zinc/58/75/02/1289587502.db2.gz HZLQMDCZHLFLNC-INMHGKMJSA-N 1 0 329.444 2.843 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)COCC2CC2)cc1Cn1cccn1 ZINC000873133278 1289589557 /nfs/dbraw/zinc/58/95/57/1289589557.db2.gz OVXLXVLIGOFKKR-OAHLLOKOSA-N 1 0 329.444 2.845 20 10 EFCDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873134876 1289589992 /nfs/dbraw/zinc/58/99/92/1289589992.db2.gz VPWYHPYAGDRPMG-CRAIPNDOSA-N 1 0 331.460 2.827 20 10 EFCDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873134880 1289590540 /nfs/dbraw/zinc/59/05/40/1289590540.db2.gz VPWYHPYAGDRPMG-QAPCUYQASA-N 1 0 331.460 2.827 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(O)c1 ZINC000824321196 1289606296 /nfs/dbraw/zinc/60/62/96/1289606296.db2.gz PUNJVTWMJOWFGL-ZDUSSCGKSA-N 1 0 349.452 2.698 20 10 EFCDRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000873193872 1289632266 /nfs/dbraw/zinc/63/22/66/1289632266.db2.gz DUCVAYQUTQJLKL-JLTOFOAXSA-N 1 0 344.455 2.982 20 10 EFCDRO COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2cccc(OC)c2O)c1 ZINC000873195606 1289633830 /nfs/dbraw/zinc/63/38/30/1289633830.db2.gz OISDKIWBNOITQX-SGTLLEGYSA-N 1 0 347.411 2.630 20 10 EFCDRO COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]Cc2cccc(OC)c2O)c1 ZINC000873195607 1289634714 /nfs/dbraw/zinc/63/47/14/1289634714.db2.gz OISDKIWBNOITQX-XIKOKIGWSA-N 1 0 347.411 2.630 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(F)ccc1N ZINC001232510937 1312722482 /nfs/dbraw/zinc/72/24/82/1312722482.db2.gz NKBGYUAFKWLQFJ-UHFFFAOYSA-N 1 0 329.419 2.877 20 10 EFCDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CCCSc2nccs2)C1 ZINC000816553457 1289680846 /nfs/dbraw/zinc/68/08/46/1289680846.db2.gz WEQSRARPPHSUTN-NEPJUHHUSA-N 1 0 334.532 2.571 20 10 EFCDRO CCCCOCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001181801852 1289944139 /nfs/dbraw/zinc/94/41/39/1289944139.db2.gz UWOVMPLIICXSHZ-QGZVFWFLSA-N 1 0 334.460 2.511 20 10 EFCDRO [NH3+]C1(CC2CCC2)CCN(C(=O)CCc2ccc(O)c(O)c2)CC1 ZINC001182157256 1290097041 /nfs/dbraw/zinc/09/70/41/1290097041.db2.gz MSZPVWDCWYZCPQ-UHFFFAOYSA-N 1 0 332.444 2.541 20 10 EFCDRO COc1cccc(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)c1O ZINC000825702625 1290111461 /nfs/dbraw/zinc/11/14/61/1290111461.db2.gz DFQOXVUMBRPVKC-MRXNPFEDSA-N 1 0 332.444 2.814 20 10 EFCDRO CN1C(=O)CCC12CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204329207 1290124852 /nfs/dbraw/zinc/12/48/52/1290124852.db2.gz HBQKHBLXRLFFBZ-UHFFFAOYSA-N 1 0 327.472 2.874 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c1O ZINC001204336378 1290174959 /nfs/dbraw/zinc/17/49/59/1290174959.db2.gz MCSXUHDHMWESIL-ZWNOBZJWSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](C)[C@H]2CO)c1O ZINC001204336376 1290175011 /nfs/dbraw/zinc/17/50/11/1290175011.db2.gz MCSXUHDHMWESIL-GXFFZTMASA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](O)C[C@H]2C)c1O ZINC001204339271 1290184594 /nfs/dbraw/zinc/18/45/94/1290184594.db2.gz FDQBBGDRSIJBHU-BXKDBHETSA-N 1 0 330.222 2.509 20 10 EFCDRO C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc(Br)c(F)cc1[O-] ZINC000774383611 1290193708 /nfs/dbraw/zinc/19/37/08/1290193708.db2.gz ZCYRZIOXECLZOL-SNVBAGLBSA-N 1 0 349.244 2.523 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)C(C)(C)C[NH+]2CCOCC2)cc1 ZINC000874085244 1290199959 /nfs/dbraw/zinc/19/99/59/1290199959.db2.gz CRTZIXGVNHIUEA-UHFFFAOYSA-N 1 0 347.503 2.507 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)cc(O)c1O ZINC001204342868 1290201511 /nfs/dbraw/zinc/20/15/11/1290201511.db2.gz NWENGVCENBGVNJ-BMIGLBTASA-N 1 0 349.349 2.632 20 10 EFCDRO C[C@@H]1OCC[C@@]12CN(Cc1ccc(Br)cc1O)CCO2 ZINC000825738653 1290263327 /nfs/dbraw/zinc/26/33/27/1290263327.db2.gz RDEFZAXHVNPFPN-XHDPSFHLSA-N 1 0 342.233 2.535 20 10 EFCDRO COCCC1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001183150591 1290298584 /nfs/dbraw/zinc/29/85/84/1290298584.db2.gz DYKXBYGMKDAJMP-QGZVFWFLSA-N 1 0 346.471 2.511 20 10 EFCDRO CC[NH2+]C[C@]1(C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001183546842 1290359333 /nfs/dbraw/zinc/35/93/33/1290359333.db2.gz OHVUROVHERAFCV-SJKOYZFVSA-N 1 0 331.420 2.557 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)CCC[C@@]1(O)C(F)(F)F ZINC001232833666 1312790258 /nfs/dbraw/zinc/79/02/58/1312790258.db2.gz CCYKCKHSWVESGA-WBMJQRKESA-N 1 0 346.393 2.984 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCCN(c3ccccn3)CC2)c(O)c1 ZINC001232834724 1312791270 /nfs/dbraw/zinc/79/12/70/1312791270.db2.gz KPDZIQBDHGPFDJ-UHFFFAOYSA-N 1 0 326.444 2.566 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CC3(CN(C(=O)OC(C)(C)C)C3)C2)c(O)c1 ZINC001232836379 1312791528 /nfs/dbraw/zinc/79/15/28/1312791528.db2.gz OWPRTCUUOBLQRH-UHFFFAOYSA-N 1 0 347.459 2.511 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c(O)c1 ZINC001232836955 1312791961 /nfs/dbraw/zinc/79/19/61/1312791961.db2.gz XLFLLIKONVPOLI-SJORKVTESA-N 1 0 337.423 2.626 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)C3CCCC3)CC2)c(O)c1 ZINC001232839428 1312792520 /nfs/dbraw/zinc/79/25/20/1312792520.db2.gz NZVNJVZMQLOHRV-UHFFFAOYSA-N 1 0 345.487 2.729 20 10 EFCDRO Cc1cnc(N2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)s1 ZINC001232840175 1312792555 /nfs/dbraw/zinc/79/25/55/1312792555.db2.gz OEUHPQUXSHZALE-UHFFFAOYSA-N 1 0 332.473 2.545 20 10 EFCDRO Cc1cc(O[C@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3O)C2)ncn1 ZINC001232841304 1312792855 /nfs/dbraw/zinc/79/28/55/1312792855.db2.gz BOHWIDPABREDLU-KRWDZBQOSA-N 1 0 342.443 2.600 20 10 EFCDRO CN(C)c1ccc(CN2CCC([NH+]3CCC(F)CC3)CC2)c(O)c1 ZINC001232840519 1312792969 /nfs/dbraw/zinc/79/29/69/1312792969.db2.gz YXKNDOSXNMXFKO-UHFFFAOYSA-N 1 0 335.467 2.857 20 10 EFCDRO Cc1nccnc1O[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232841544 1312793199 /nfs/dbraw/zinc/79/31/99/1312793199.db2.gz JEJPSCKRSXUPPF-KRWDZBQOSA-N 1 0 342.443 2.600 20 10 EFCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2O)C[C@@H]1C ZINC001232841471 1312793397 /nfs/dbraw/zinc/79/33/97/1312793397.db2.gz HWHBCAGDYNBUIG-GJZGRUSLSA-N 1 0 334.460 2.869 20 10 EFCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000092456099 1290755989 /nfs/dbraw/zinc/75/59/89/1290755989.db2.gz SNVJOZHONWEYKC-LLVKDONJSA-N 1 0 342.233 2.930 20 10 EFCDRO COCC[C@@H](C[N@H+](C)Cc1ccccc1O)NC(=O)OC(C)(C)C ZINC000876615817 1290957121 /nfs/dbraw/zinc/95/71/21/1290957121.db2.gz MBENEAWBKCHYPM-HNNXBMFYSA-N 1 0 338.448 2.754 20 10 EFCDRO Cc1occc1C(=O)NC1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876683746 1290979831 /nfs/dbraw/zinc/97/98/31/1290979831.db2.gz FULVMDDTTYZKHV-UHFFFAOYSA-N 1 0 328.412 2.996 20 10 EFCDRO Oc1cc(I)ccc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001232979430 1312824383 /nfs/dbraw/zinc/82/43/83/1312824383.db2.gz YEZHFJSRPUNWDE-ZMLRMANQSA-N 1 0 347.171 2.929 20 10 EFCDRO Cc1ncc(F)cc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001232989396 1312827136 /nfs/dbraw/zinc/82/71/36/1312827136.db2.gz CCBZOAWGLQOLJH-UHFFFAOYSA-N 1 0 329.419 2.998 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3Cc4ccccc4O3)cc2)CC1 ZINC000876916374 1291071468 /nfs/dbraw/zinc/07/14/68/1291071468.db2.gz RQEICXJNGPWBAS-FQEVSTJZSA-N 1 0 338.451 2.741 20 10 EFCDRO CO[C@@](C)(C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000876965600 1291089079 /nfs/dbraw/zinc/08/90/79/1291089079.db2.gz IUTBASBXXFKKBD-IBGZPJMESA-N 1 0 336.451 2.692 20 10 EFCDRO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1cc(O)c(O)c(O)c1)C2 ZINC001233015554 1312832438 /nfs/dbraw/zinc/83/24/38/1312832438.db2.gz SGGCEWNWXRLXJL-CYBMUJFWSA-N 1 0 345.395 2.592 20 10 EFCDRO Oc1ccc(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000876982843 1291097980 /nfs/dbraw/zinc/09/79/80/1291097980.db2.gz IEDNVHWZBFPZLL-UHFFFAOYSA-N 1 0 326.440 2.686 20 10 EFCDRO COC(=O)c1cccc([C@@H]2CCCN2Cc2cc(O)c(O)c(O)c2)c1 ZINC001233015248 1312832761 /nfs/dbraw/zinc/83/27/61/1312832761.db2.gz GORPAZXAFKYQIJ-HNNXBMFYSA-N 1 0 343.379 2.927 20 10 EFCDRO Cc1cccnc1O[C@@H]1CCCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233016299 1312832863 /nfs/dbraw/zinc/83/28/63/1312832863.db2.gz SGCCKHZWXWBKHQ-CQSZACIVSA-N 1 0 330.384 2.550 20 10 EFCDRO Cc1noc(C)c1C[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877056482 1291119482 /nfs/dbraw/zinc/11/94/82/1291119482.db2.gz SFPVINMVICCVSI-CQSZACIVSA-N 1 0 343.471 2.973 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]CCNc3ccccc3)cc2)CC1 ZINC000877075339 1291127148 /nfs/dbraw/zinc/12/71/48/1291127148.db2.gz MGWKLNUSWPIGHE-UHFFFAOYSA-N 1 0 325.456 2.849 20 10 EFCDRO OCC[N@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CCCc2ccccc21 ZINC000093388676 1291131567 /nfs/dbraw/zinc/13/15/67/1291131567.db2.gz XASYSFYTTSDQDF-KRWDZBQOSA-N 1 0 341.407 2.993 20 10 EFCDRO COC(=O)CC[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCCO1 ZINC000093460683 1291148402 /nfs/dbraw/zinc/14/84/02/1291148402.db2.gz YXGHQNBJFNQLAD-AWEZNQCLSA-N 1 0 327.808 2.590 20 10 EFCDRO C[N@H+](Cc1cc(Cl)ccc1O)CC(C)(C)CN1CCOCC1 ZINC000093769617 1291214100 /nfs/dbraw/zinc/21/41/00/1291214100.db2.gz ZYKNKTUPMIYSPR-UHFFFAOYSA-N 1 0 326.868 2.836 20 10 EFCDRO COC[C@H]1CCCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877395403 1291221380 /nfs/dbraw/zinc/22/13/80/1291221380.db2.gz JTXAKQAPJQDYBL-SFHVURJKSA-N 1 0 332.488 2.896 20 10 EFCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2c(C)cccc2O)s1 ZINC000877486074 1291245210 /nfs/dbraw/zinc/24/52/10/1291245210.db2.gz DGNSSZJDEKNHRJ-UHFFFAOYSA-N 1 0 325.455 2.846 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccccc2OCCCCO)c(O)c1 ZINC000877493141 1291248846 /nfs/dbraw/zinc/24/88/46/1291248846.db2.gz GYTUEYBFIBKBCG-UHFFFAOYSA-N 1 0 331.412 2.842 20 10 EFCDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2c(C)cccc2O)s1 ZINC000877522343 1291258989 /nfs/dbraw/zinc/25/89/89/1291258989.db2.gz CYAMXXVENUOFGR-VXGBXAGGSA-N 1 0 348.472 2.867 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](O)c1ccccc1 ZINC000877535164 1291264969 /nfs/dbraw/zinc/26/49/69/1291264969.db2.gz KBVMWZWUQBGFND-HRAATJIYSA-N 1 0 340.467 2.859 20 10 EFCDRO CCc1noc(C)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877551446 1291273028 /nfs/dbraw/zinc/27/30/28/1291273028.db2.gz ZWVPOKZAUNNHLE-UHFFFAOYSA-N 1 0 329.444 2.796 20 10 EFCDRO Cc1ccc(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)nc1 ZINC000877577523 1291279293 /nfs/dbraw/zinc/27/92/93/1291279293.db2.gz GQQMQXQWFAOIQQ-UHFFFAOYSA-N 1 0 325.456 2.683 20 10 EFCDRO CC(C)(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)OCC1CC1 ZINC000877589111 1291283336 /nfs/dbraw/zinc/28/33/36/1291283336.db2.gz GWKWHBRQRXMGHB-UHFFFAOYSA-N 1 0 332.488 2.943 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)cc1OC ZINC000877645520 1291305741 /nfs/dbraw/zinc/30/57/41/1291305741.db2.gz NXGHPFCQGNCDBI-MRXNPFEDSA-N 1 0 344.411 2.596 20 10 EFCDRO CCOc1ccc(C[NH+]2CCN(Cc3ccc(O)cc3)CC2)c(O)c1 ZINC000877706818 1291337930 /nfs/dbraw/zinc/33/79/30/1291337930.db2.gz JRQSLFDJVQOXDU-UHFFFAOYSA-N 1 0 342.439 2.814 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(Oc3ccc(Cl)nn3)CC2)c1 ZINC001203680194 1291361887 /nfs/dbraw/zinc/36/18/87/1291361887.db2.gz JWCGTOWLUVLYGW-UHFFFAOYSA-N 1 0 349.818 2.888 20 10 EFCDRO COc1cc(C[N@@H+]2CCSC[C@@H]2CO)c(O)c(C(C)(C)C)c1 ZINC000877779595 1291373633 /nfs/dbraw/zinc/37/36/33/1291373633.db2.gz CVRDZTGGGGAHOK-ZDUSSCGKSA-N 1 0 325.474 2.608 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3cccc(F)c3)cc2)CC1 ZINC000877907410 1291411071 /nfs/dbraw/zinc/41/10/71/1291411071.db2.gz ZNSRHMXOXHNTEQ-UHFFFAOYSA-N 1 0 342.418 2.899 20 10 EFCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c1O ZINC001233105969 1312855841 /nfs/dbraw/zinc/85/58/41/1312855841.db2.gz FSCBKJAZWWQZTH-OLZOCXBDSA-N 1 0 332.213 2.758 20 10 EFCDRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC001233111823 1312856688 /nfs/dbraw/zinc/85/66/88/1312856688.db2.gz ZQXSASVCZRRNFN-CQSZACIVSA-N 1 0 341.249 2.516 20 10 EFCDRO Cc1cc(Br)cc(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1O ZINC001233111187 1312856866 /nfs/dbraw/zinc/85/68/66/1312856866.db2.gz KJGOCRLBHQMWIX-CZUORRHYSA-N 1 0 339.277 2.847 20 10 EFCDRO Cc1cc(Br)cc(C[N@H+]2CCC3(CN(C)C3)C2)c1O ZINC001233111263 1312856954 /nfs/dbraw/zinc/85/69/54/1312856954.db2.gz MWYLPOXCXHYAOV-UHFFFAOYSA-N 1 0 325.250 2.601 20 10 EFCDRO CCCN(C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H]1CC[N@H+](C)C1 ZINC000826020414 1291482921 /nfs/dbraw/zinc/48/29/21/1291482921.db2.gz UKPHVGUABRXJLI-HNNXBMFYSA-N 1 0 336.455 2.517 20 10 EFCDRO C[C@H]([NH2+]CC(=O)NCC(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000795844464 1291529044 /nfs/dbraw/zinc/52/90/44/1291529044.db2.gz LJMGAQLEZMKXPZ-LBPRGKRZSA-N 1 0 343.393 2.848 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC3(COC3)CC2)cc1Br ZINC001233135057 1312863100 /nfs/dbraw/zinc/86/31/00/1312863100.db2.gz KOKWMDKOHJDBDB-UHFFFAOYSA-N 1 0 342.233 2.776 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(OC)CC2)cc1Br ZINC001233135041 1312863638 /nfs/dbraw/zinc/86/36/38/1312863638.db2.gz KFCIXUMMZCLXQO-UHFFFAOYSA-N 1 0 330.222 2.774 20 10 EFCDRO COc1cc(O)c(CN2CCC[C@@H](C(C)=O)C2)cc1Br ZINC001233140583 1312865414 /nfs/dbraw/zinc/86/54/14/1312865414.db2.gz NMXLVKSYWPNFRX-LLVKDONJSA-N 1 0 342.233 2.964 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H]1CCC[C@@H](C)C1)cc2=O ZINC000249734554 1291693680 /nfs/dbraw/zinc/69/36/80/1291693680.db2.gz VODRHZUSWQXCOA-OCCSQVGLSA-N 1 0 346.431 2.622 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)c2ccccc2n1C ZINC001233270097 1312889474 /nfs/dbraw/zinc/88/94/74/1312889474.db2.gz ACVOHGLZIAZCOL-VLIAUNLRSA-N 1 0 344.455 2.948 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@]3(CCOC3)C2)c2ccccc2n1C ZINC001233270509 1312889907 /nfs/dbraw/zinc/88/99/07/1312889907.db2.gz PYYAKPGGBDWEFL-FQEVSTJZSA-N 1 0 342.439 2.967 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCCC[C@H]2CO)c2ccccc2n1C ZINC001233270267 1312890438 /nfs/dbraw/zinc/89/04/38/1312890438.db2.gz HIUFQJKFHFDWLQ-AWEZNQCLSA-N 1 0 330.428 2.702 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2C[C@H](CO)CC[C@H]2C)c2ccccc2n1C ZINC001233270405 1312890629 /nfs/dbraw/zinc/89/06/29/1312890629.db2.gz MOUZPESULBVATD-HUUCEWRRSA-N 1 0 344.455 2.948 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@H](C(C)=O)C2)c2ccccc2n1C ZINC001233273161 1312890710 /nfs/dbraw/zinc/89/07/10/1312890710.db2.gz QEULIGBHVBQZDZ-AWEZNQCLSA-N 1 0 328.412 2.766 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c2ccccc2n1C ZINC001233272861 1312890739 /nfs/dbraw/zinc/89/07/39/1312890739.db2.gz FGNBJVRBJPVWHD-KBXCAEBGSA-N 1 0 342.439 2.966 20 10 EFCDRO CCOC(=O)c1c(CN2CCOC[C@@H]2CC)c2ccccc2n1C ZINC001233273119 1312890804 /nfs/dbraw/zinc/89/08/04/1312890804.db2.gz OPCTVZGZOLLMDG-AWEZNQCLSA-N 1 0 330.428 2.966 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c2ccccc2n1C ZINC001233272763 1312890888 /nfs/dbraw/zinc/89/08/88/1312890888.db2.gz ZRTPYGZHSQZQIF-GASCZTMLSA-N 1 0 343.471 2.879 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@@H](C(C)=O)C2)c2ccccc2n1C ZINC001233273162 1312891224 /nfs/dbraw/zinc/89/12/24/1312891224.db2.gz QEULIGBHVBQZDZ-CQSZACIVSA-N 1 0 328.412 2.766 20 10 EFCDRO CN(C)C(=O)NC1CC[NH+](Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233286947 1312895054 /nfs/dbraw/zinc/89/50/54/1312895054.db2.gz POMPCLLTSIHISU-UHFFFAOYSA-N 1 0 333.476 2.925 20 10 EFCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)cc1Cl ZINC000826099896 1292011378 /nfs/dbraw/zinc/01/13/78/1292011378.db2.gz JGSNFUFAFNHPJV-CYBMUJFWSA-N 1 0 325.840 2.590 20 10 EFCDRO COc1cc(Cl)cc(CN2CCN(c3cc[nH+]cc3)CC2)c1O ZINC001233287290 1312896455 /nfs/dbraw/zinc/89/64/55/1312896455.db2.gz GPPIHNFYQJSCQL-UHFFFAOYSA-N 1 0 333.819 2.771 20 10 EFCDRO CC1=NC2(CC[NH+](Cc3cc(C(C)(C)C)ccc3O)CC2)C(=O)N1C ZINC001233287513 1312896536 /nfs/dbraw/zinc/89/65/36/1312896536.db2.gz UDPRMHONJWQIOE-UHFFFAOYSA-N 1 0 343.471 2.915 20 10 EFCDRO C[C@@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1ccc(N(C)C)cc1 ZINC000775361930 1292033208 /nfs/dbraw/zinc/03/32/08/1292033208.db2.gz GTOKGRZLTUZDAH-OAHLLOKOSA-N 1 0 325.460 2.994 20 10 EFCDRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001233333686 1312905878 /nfs/dbraw/zinc/90/58/78/1312905878.db2.gz DVDCCWIYPLJMQQ-NVXWUHKLSA-N 1 0 327.371 2.688 20 10 EFCDRO [O-]c1ccc(F)c(F)c1C[N@@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001233333925 1312906130 /nfs/dbraw/zinc/90/61/30/1312906130.db2.gz MTWLLACWLQMSRG-UHFFFAOYSA-N 1 0 331.366 2.939 20 10 EFCDRO COCc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879648580 1292218219 /nfs/dbraw/zinc/21/82/19/1292218219.db2.gz UZRJXBZOLBKNAE-CQSZACIVSA-N 1 0 328.412 2.506 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)c1ccccc1O ZINC000879648219 1292218588 /nfs/dbraw/zinc/21/85/88/1292218588.db2.gz FISGCTKIWDESEI-KGLIPLIRSA-N 1 0 326.396 2.964 20 10 EFCDRO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879648159 1292219004 /nfs/dbraw/zinc/21/90/04/1292219004.db2.gz AKEDGLDZJWEJSD-GFCCVEGCSA-N 1 0 330.384 2.699 20 10 EFCDRO COCC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C1CCOCC1 ZINC000879707817 1292238052 /nfs/dbraw/zinc/23/80/52/1292238052.db2.gz FUDAONSITRCZFI-UHFFFAOYSA-N 1 0 341.835 2.876 20 10 EFCDRO CC[NH+](CC)C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2O)CCO1 ZINC001233419781 1312928407 /nfs/dbraw/zinc/92/84/07/1312928407.db2.gz MCOQSOTYYAOVDY-CQSZACIVSA-N 1 0 346.393 2.954 20 10 EFCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC001233455064 1312934846 /nfs/dbraw/zinc/93/48/46/1312934846.db2.gz UTJMAZDPOLTOOU-LBPRGKRZSA-N 1 0 336.304 2.936 20 10 EFCDRO CC(=O)N(C)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233454907 1312935491 /nfs/dbraw/zinc/93/54/91/1312935491.db2.gz OERUFIZDMICACC-UHFFFAOYSA-N 1 0 330.350 2.854 20 10 EFCDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3O)C[C@H]21 ZINC001233453320 1312935502 /nfs/dbraw/zinc/93/55/02/1312935502.db2.gz DCEAEIPZVOXOBZ-NHAGDIPZSA-N 1 0 342.361 2.613 20 10 EFCDRO COCCCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000128553136 1292584322 /nfs/dbraw/zinc/58/43/22/1292584322.db2.gz ZVFLNMREPOZDLT-KRWDZBQOSA-N 1 0 347.503 2.650 20 10 EFCDRO CC(C)CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000128556296 1292586414 /nfs/dbraw/zinc/58/64/14/1292586414.db2.gz ADHNXSPIHFXPCY-QGZVFWFLSA-N 1 0 347.503 2.506 20 10 EFCDRO COC1(c2ccccc2)CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233486162 1312940154 /nfs/dbraw/zinc/94/01/54/1312940154.db2.gz AZOBUCFOMOOREY-UHFFFAOYSA-N 1 0 329.396 2.941 20 10 EFCDRO Oc1cc(O)c(CN2CC[NH+](C3(c4ccccc4)CC3)CC2)cc1O ZINC001233486951 1312940276 /nfs/dbraw/zinc/94/02/76/1312940276.db2.gz JHSVWSIMNUXXCN-UHFFFAOYSA-N 1 0 340.423 2.610 20 10 EFCDRO Oc1cc(O)c(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1O ZINC001233487193 1312940532 /nfs/dbraw/zinc/94/05/32/1312940532.db2.gz UEDABFAPYJOJRH-RDJZCZTQSA-N 1 0 340.423 2.510 20 10 EFCDRO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000128702038 1292685630 /nfs/dbraw/zinc/68/56/30/1292685630.db2.gz QJIAVEHNRYJLAO-QGZVFWFLSA-N 1 0 328.412 2.655 20 10 EFCDRO CC(=O)c1cc(F)cc(Cn2cc(C[NH2+]C3CCCCC3)nn2)c1O ZINC000880994443 1292712680 /nfs/dbraw/zinc/71/26/80/1292712680.db2.gz AVMYQCIKDLVKSI-UHFFFAOYSA-N 1 0 346.406 2.796 20 10 EFCDRO Cn1c2ccccc2n(C2CC[NH+](Cc3ccccc3O)CC2)c1=O ZINC001203555701 1312955136 /nfs/dbraw/zinc/95/51/36/1312955136.db2.gz CMUDUPZUVWGQLF-UHFFFAOYSA-N 1 0 337.423 2.883 20 10 EFCDRO CNC(=O)CCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796283159 1292755154 /nfs/dbraw/zinc/75/51/54/1292755154.db2.gz PZAYLEJZMDZKNE-UHFFFAOYSA-N 1 0 337.467 2.865 20 10 EFCDRO CN1CC[C@@]2(C[N@H+](Cc3ccccc3O)C[C@@H]2c2ccccc2)C1=O ZINC001203552168 1312954025 /nfs/dbraw/zinc/95/40/25/1312954025.db2.gz CRUGQAGYCIUNMN-NQIIRXRSSA-N 1 0 336.435 2.840 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001203551310 1312954175 /nfs/dbraw/zinc/95/41/75/1312954175.db2.gz BRUAWZBGCKCBQY-DFQSSKMNSA-N 1 0 340.423 2.736 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001203551759 1312954334 /nfs/dbraw/zinc/95/43/34/1312954334.db2.gz MRMZHBSFEOALMO-HKUYNNGSSA-N 1 0 326.396 2.600 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001203552241 1312954573 /nfs/dbraw/zinc/95/45/73/1312954573.db2.gz GADMBYIATGWHEB-GOEBONIOSA-N 1 0 329.469 2.945 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001203552592 1312954632 /nfs/dbraw/zinc/95/46/32/1312954632.db2.gz OOUWLCOPJGGPTI-KVSKMBFKSA-N 1 0 340.423 2.846 20 10 EFCDRO CCOC(=O)c1coc(C2CC[NH+](Cc3ccccc3O)CC2)n1 ZINC001203560871 1312956164 /nfs/dbraw/zinc/95/61/64/1312956164.db2.gz IMYBIGKJDFBDKE-UHFFFAOYSA-N 1 0 330.384 2.937 20 10 EFCDRO CCN(C)c1ccc(Cn2cc(CC[NH+]3CCCCC3)nn2)cc1 ZINC000881316559 1292831721 /nfs/dbraw/zinc/83/17/21/1292831721.db2.gz VVHORTAAIJIWMA-UHFFFAOYSA-N 1 0 327.476 2.811 20 10 EFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1)c1ccc(F)cc1 ZINC001203561731 1312956855 /nfs/dbraw/zinc/95/68/55/1312956855.db2.gz YKYIXHKWJDXSCP-QGZVFWFLSA-N 1 0 328.387 2.926 20 10 EFCDRO Cc1cc(Cn2cc(CC[NH+](C)C)nn2)ccc1N1CCCCC1 ZINC000881379257 1292863305 /nfs/dbraw/zinc/86/33/05/1292863305.db2.gz MSCVWUYHXCUQQU-UHFFFAOYSA-N 1 0 327.476 2.729 20 10 EFCDRO Cc1cc(Cn2cc(Cn3ccnc3)nn2)ccc1N1CCCCC1 ZINC000881379298 1292864439 /nfs/dbraw/zinc/86/44/39/1292864439.db2.gz NXAGZTTYPKUDLZ-UHFFFAOYSA-N 1 0 336.443 2.870 20 10 EFCDRO CN1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1=O ZINC000796314433 1292866330 /nfs/dbraw/zinc/86/63/30/1292866330.db2.gz DPCZUZKLDZZLRK-FQEVSTJZSA-N 1 0 349.478 2.960 20 10 EFCDRO COc1cccc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c1O ZINC001203584461 1312963301 /nfs/dbraw/zinc/96/33/01/1312963301.db2.gz BGWAGNSCQTZCKE-OAHLLOKOSA-N 1 0 348.443 2.890 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(CC4CC4)C3=O)C2)c1O ZINC001203591085 1312964941 /nfs/dbraw/zinc/96/49/41/1312964941.db2.gz BKAVWQXZBUPYSU-FQEVSTJZSA-N 1 0 344.455 2.625 20 10 EFCDRO COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccc(OC)c1O)C2 ZINC001203591295 1312965243 /nfs/dbraw/zinc/96/52/43/1312965243.db2.gz GMCURBGPHQOYCH-BEFAXECRSA-N 1 0 335.444 2.808 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1O ZINC001203592945 1312965409 /nfs/dbraw/zinc/96/54/09/1312965409.db2.gz XOOOXGFJGIZMGL-ZWKOTPCHSA-N 1 0 339.439 2.645 20 10 EFCDRO COc1cccc(C[N@@H+]2CCc3ncnc(OC(C)C)c3CC2)c1O ZINC001203591988 1312965430 /nfs/dbraw/zinc/96/54/30/1312965430.db2.gz OUDBKRBEHZWOSE-UHFFFAOYSA-N 1 0 343.427 2.579 20 10 EFCDRO COc1cccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c1O ZINC001203591172 1312965450 /nfs/dbraw/zinc/96/54/50/1312965450.db2.gz CZEPOJRIEJRXBO-KVSKMBFKSA-N 1 0 333.428 2.559 20 10 EFCDRO COc1cccc(C[N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)c1O ZINC001203594380 1312965611 /nfs/dbraw/zinc/96/56/11/1312965611.db2.gz XRKNZZLVOGVJMA-ZFWWWQNUSA-N 1 0 344.436 2.557 20 10 EFCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c1O ZINC001203604009 1312968266 /nfs/dbraw/zinc/96/82/66/1312968266.db2.gz YQZAQCYTLTZTFK-LIRRHRJNSA-N 1 0 348.443 2.890 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCCN(Cc3ccncc3)CC2)c1O ZINC001203602127 1312968293 /nfs/dbraw/zinc/96/82/93/1312968293.db2.gz BJHCSVOAAVCYFN-UHFFFAOYSA-N 1 0 341.455 2.894 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COC)C2)c1O ZINC001203608220 1312969518 /nfs/dbraw/zinc/96/95/18/1312969518.db2.gz LQWJVNBPYGAQJJ-IEBWSBKVSA-N 1 0 335.444 2.808 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3)[C@@H]2CC)c1O ZINC001203608089 1312969587 /nfs/dbraw/zinc/96/95/87/1312969587.db2.gz HVHCBIMPSOEBEW-LPHOPBHVSA-N 1 0 332.444 2.814 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c1O ZINC001203608425 1312970078 /nfs/dbraw/zinc/97/00/78/1312970078.db2.gz OZSZRRBVKIMPSW-ILZDJORESA-N 1 0 347.455 2.949 20 10 EFCDRO C[C@H]1CCC[C@H]1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852050 1293028115 /nfs/dbraw/zinc/02/81/15/1293028115.db2.gz GRUMAQVDHZPZRC-WMZOPIPTSA-N 1 0 329.488 2.881 20 10 EFCDRO C[C@@H]1CCC[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881851596 1293028137 /nfs/dbraw/zinc/02/81/37/1293028137.db2.gz XJGDEDSGDOGMND-AEFFLSMTSA-N 1 0 329.488 2.881 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc4[nH]ccc4c3)cc2)CC1 ZINC000881851669 1293028244 /nfs/dbraw/zinc/02/82/44/1293028244.db2.gz OHLSHSWRATZQDT-UHFFFAOYSA-N 1 0 348.450 2.850 20 10 EFCDRO C[C@@H]1CCC[C@@H]1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852048 1293028416 /nfs/dbraw/zinc/02/84/16/1293028416.db2.gz GRUMAQVDHZPZRC-SJLPKXTDSA-N 1 0 329.488 2.881 20 10 EFCDRO C[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC000881851530 1293028467 /nfs/dbraw/zinc/02/84/67/1293028467.db2.gz VWPRWUARQNHHKA-MRXNPFEDSA-N 1 0 329.488 2.881 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C=C3CCCCC3)cc2)CC1 ZINC000881850924 1293028573 /nfs/dbraw/zinc/02/85/73/1293028573.db2.gz KOELPODHCSDEOV-UHFFFAOYSA-N 1 0 327.472 2.945 20 10 EFCDRO CC(C)CCO[C@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851418 1293028755 /nfs/dbraw/zinc/02/87/55/1293028755.db2.gz JVISXAIZBIDTDY-QGZVFWFLSA-N 1 0 347.503 2.506 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cccc4[nH]ccc43)cc2)CC1 ZINC000881850604 1293028895 /nfs/dbraw/zinc/02/88/95/1293028895.db2.gz ZLFPMHDCXCTGQQ-UHFFFAOYSA-N 1 0 348.450 2.850 20 10 EFCDRO CCO[C@@H](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000881851540 1293029341 /nfs/dbraw/zinc/02/93/41/1293029341.db2.gz WINDKMTWWUCNDW-IBGZPJMESA-N 1 0 347.503 2.506 20 10 EFCDRO C[C@@H]1CCC[C@H]1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852044 1293029706 /nfs/dbraw/zinc/02/97/06/1293029706.db2.gz GRUMAQVDHZPZRC-AEFFLSMTSA-N 1 0 329.488 2.881 20 10 EFCDRO CCOc1cccc(CN2CCC([N@H+](C)C3CCOCC3)CC2)c1O ZINC001203614124 1312971137 /nfs/dbraw/zinc/97/11/37/1312971137.db2.gz POGLFVZULCDPPG-UHFFFAOYSA-N 1 0 348.487 2.866 20 10 EFCDRO C[C@@H](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccco1 ZINC000881854769 1293030424 /nfs/dbraw/zinc/03/04/24/1293030424.db2.gz KDECDSNTWVPYJS-INIZCTEOSA-N 1 0 341.455 2.841 20 10 EFCDRO CCOc1cccc(C[NH+]2CCN(c3nccc(Cl)n3)CC2)c1O ZINC001203614151 1312971377 /nfs/dbraw/zinc/97/13/77/1312971377.db2.gz QYYPVQQXFVUMMW-UHFFFAOYSA-N 1 0 348.834 2.557 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c(O)c1 ZINC001203621382 1312973018 /nfs/dbraw/zinc/97/30/18/1312973018.db2.gz CFDCHOKAXMEYQA-JKSUJKDBSA-N 1 0 348.443 2.985 20 10 EFCDRO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c(O)c1 ZINC001203622356 1312973147 /nfs/dbraw/zinc/97/31/47/1312973147.db2.gz YYRZTEQGSTWUOQ-DZKIICNBSA-N 1 0 348.443 2.888 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001203622308 1312973280 /nfs/dbraw/zinc/97/32/80/1312973280.db2.gz XSCVJFPORQBUQO-AZUAARDMSA-N 1 0 347.455 2.951 20 10 EFCDRO COc1ccc(C[NH+]2CCN(c3cc(Cl)ccn3)CC2)c(O)c1 ZINC001203627732 1312975095 /nfs/dbraw/zinc/97/50/95/1312975095.db2.gz MDVUGBIMWTUUKL-UHFFFAOYSA-N 1 0 333.819 2.771 20 10 EFCDRO COc1ccc(CN2CC[NH+](CCc3cccs3)CC2)c(O)c1 ZINC001203627797 1312975407 /nfs/dbraw/zinc/97/54/07/1312975407.db2.gz PRHHOYJVETUMAU-UHFFFAOYSA-N 1 0 332.469 2.823 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@@H](Oc3nccc(C)n3)C2)c(O)c1 ZINC001203635325 1312977471 /nfs/dbraw/zinc/97/74/71/1312977471.db2.gz PRGJBWZGDPDDDP-MRXNPFEDSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c(O)c1 ZINC001203635073 1312977780 /nfs/dbraw/zinc/97/77/80/1312977780.db2.gz JMICYNVGNKFSSA-OCCSQVGLSA-N 1 0 336.432 2.888 20 10 EFCDRO Oc1c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cccc1OC(F)(F)F ZINC001233727691 1312978600 /nfs/dbraw/zinc/97/86/00/1312978600.db2.gz OGUCIHDKRSHHKW-NSHDSACASA-N 1 0 345.239 2.790 20 10 EFCDRO Oc1c(C[N@@H+]2CCCC[C@@](O)(CF)C2)cccc1OC(F)(F)F ZINC001233727143 1312978743 /nfs/dbraw/zinc/97/87/43/1312978743.db2.gz JCYDTQQGNYGAAB-CQSZACIVSA-N 1 0 337.313 2.977 20 10 EFCDRO Oc1c(C[N@@H+]2CCC[C@@](O)(CF)CC2)cccc1OC(F)(F)F ZINC001233726257 1312978836 /nfs/dbraw/zinc/97/88/36/1312978836.db2.gz BJDMZTJJNIOTEI-AWEZNQCLSA-N 1 0 337.313 2.977 20 10 EFCDRO Oc1ccc(Br)cc1CN1CC([NH+]2CCCCC2)C1 ZINC001203645859 1312979994 /nfs/dbraw/zinc/97/99/94/1312979994.db2.gz UQPZMQNSMFLZJX-UHFFFAOYSA-N 1 0 325.250 2.825 20 10 EFCDRO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(Br)ccc2O)C1 ZINC001203649850 1312980183 /nfs/dbraw/zinc/98/01/83/1312980183.db2.gz IEZLSRIBWJLZLR-CQSZACIVSA-N 1 0 341.249 2.597 20 10 EFCDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc(Br)ccc3O)C[C@H]21 ZINC001203650209 1312980294 /nfs/dbraw/zinc/98/02/94/1312980294.db2.gz NEERPQHRASBWQE-SMDDNHRTSA-N 1 0 325.250 2.681 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CC12CC2 ZINC001203648615 1312980450 /nfs/dbraw/zinc/98/04/50/1312980450.db2.gz OBTHMQCBIQDFCM-LBPRGKRZSA-N 1 0 340.217 2.540 20 10 EFCDRO CC(=O)N1CCC[C@H]([N@H+](C)Cc2cc(Br)ccc2O)C1 ZINC001203649849 1312980595 /nfs/dbraw/zinc/98/05/95/1312980595.db2.gz IEZLSRIBWJLZLR-AWEZNQCLSA-N 1 0 341.249 2.597 20 10 EFCDRO CCC1=NC2(CC[NH+](Cc3cc(Cl)ccc3O)CC2)C(=O)N1C ZINC001203665840 1312984210 /nfs/dbraw/zinc/98/42/10/1312984210.db2.gz XPUOKHOVHLXQNA-UHFFFAOYSA-N 1 0 335.835 2.661 20 10 EFCDRO O=C(NC1CC[NH+](Cc2cc(Cl)ccc2O)CC1)c1ccccn1 ZINC001203664540 1312984402 /nfs/dbraw/zinc/98/44/02/1312984402.db2.gz JRQZNMGTPBJTPS-UHFFFAOYSA-N 1 0 345.830 2.835 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CC(CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC001203670314 1312985105 /nfs/dbraw/zinc/98/51/05/1312985105.db2.gz NOJRVFLEOOHLFD-UHFFFAOYSA-N 1 0 336.432 2.700 20 10 EFCDRO C[C@H]([NH2+]CCC(C)(C)O)c1ccc(N2CCOCC2)cc1Cl ZINC000775584987 1293220907 /nfs/dbraw/zinc/22/09/07/1293220907.db2.gz ACZPEAYUBRXYLZ-ZDUSSCGKSA-N 1 0 326.868 2.988 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c2c1c(F)ccc2O ZINC000775585764 1293224244 /nfs/dbraw/zinc/22/42/44/1293224244.db2.gz IUFCWDJZBWFJSY-DGCLKSJQSA-N 1 0 329.437 2.884 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c1 ZINC001203670430 1312985865 /nfs/dbraw/zinc/98/58/65/1312985865.db2.gz QOXYBKLLSFEOQS-LJQANCHMSA-N 1 0 348.443 2.986 20 10 EFCDRO COc1ccc(O)c(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC001203670632 1312985954 /nfs/dbraw/zinc/98/59/54/1312985954.db2.gz VSAZJUZJBOXURA-PHZGNYQRSA-N 1 0 348.443 2.603 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)[C@H](C)C2)c1 ZINC001203670708 1312986067 /nfs/dbraw/zinc/98/60/67/1312986067.db2.gz XMDMXNWQUQAWNN-IAQYHMDHSA-N 1 0 333.350 2.926 20 10 EFCDRO Oc1c(C[NH+]2CCC(N3CC(F)C3)CC2)cccc1OC(F)(F)F ZINC001233761517 1312986494 /nfs/dbraw/zinc/98/64/94/1312986494.db2.gz VBBJSVYDEXRRBT-UHFFFAOYSA-N 1 0 348.340 2.909 20 10 EFCDRO O=C1CC[C@@]2(CCC[N@@H+](Cc3cccc(OC(F)(F)F)c3O)C2)O1 ZINC001233768526 1312987497 /nfs/dbraw/zinc/98/74/97/1312987497.db2.gz SVRGHAZADAPTEC-OAHLLOKOSA-N 1 0 345.317 2.962 20 10 EFCDRO CN1CCC[C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3O)C[C@H]21 ZINC001233768384 1312987646 /nfs/dbraw/zinc/98/76/46/1312987646.db2.gz QDFDYKHQKUIVPV-DGCLKSJQSA-N 1 0 330.350 2.817 20 10 EFCDRO CN1CCC[C@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3O)C[C@H]21 ZINC001233768389 1312987961 /nfs/dbraw/zinc/98/79/61/1312987961.db2.gz QDFDYKHQKUIVPV-WCQYABFASA-N 1 0 330.350 2.817 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(Oc3cc(C)ncn3)CC2)c1 ZINC001203680655 1312989077 /nfs/dbraw/zinc/98/90/77/1312989077.db2.gz BCPITBIDOKBFNC-UHFFFAOYSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](Oc3nccnc3C)C2)c1 ZINC001203681371 1312989110 /nfs/dbraw/zinc/98/91/10/1312989110.db2.gz VIBCOIYITSXBGZ-INIZCTEOSA-N 1 0 329.400 2.543 20 10 EFCDRO CC[N@H+]1C[C@H]2CN(Cc3cccc(OC(F)(F)F)c3O)C[C@H]2C1 ZINC001233775728 1312989486 /nfs/dbraw/zinc/98/94/86/1312989486.db2.gz BIWUXTWCTWYMJP-BETUJISGSA-N 1 0 330.350 2.674 20 10 EFCDRO COc1ccc(O[C@H]2CCC[N@H+](Cc3cc(OC)ccc3O)C2)nc1 ZINC001203683852 1312989575 /nfs/dbraw/zinc/98/95/75/1312989575.db2.gz GBLZBOBGSMXVMM-KRWDZBQOSA-N 1 0 344.411 2.848 20 10 EFCDRO Fc1cc(C[N@H+](C[C@H]2CCOC2)C2CC2)ccc1N1CCOCC1 ZINC000129973802 1293301792 /nfs/dbraw/zinc/30/17/92/1293301792.db2.gz AMQJAJWGFASALH-MRXNPFEDSA-N 1 0 334.435 2.663 20 10 EFCDRO CC(C)c1nccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000882880157 1293366089 /nfs/dbraw/zinc/36/60/89/1293366089.db2.gz DTDANEQIOMBCIL-UHFFFAOYSA-N 1 0 325.460 2.964 20 10 EFCDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882880422 1293367312 /nfs/dbraw/zinc/36/73/12/1293367312.db2.gz REKGCADROWWJNI-UHFFFAOYSA-N 1 0 341.415 2.662 20 10 EFCDRO [O-]c1c(F)cc(Br)cc1C[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000882989741 1293419769 /nfs/dbraw/zinc/41/97/69/1293419769.db2.gz GSBJCYFEXBGOJL-ZDUSSCGKSA-N 1 0 343.240 2.868 20 10 EFCDRO Cc1cc(O)c(C[NH+]2CCN(c3cnccn3)CC2)cc1C(C)C ZINC000026662040 1293449233 /nfs/dbraw/zinc/44/92/33/1293449233.db2.gz WFUUVQOGBQOVEN-UHFFFAOYSA-N 1 0 326.444 2.936 20 10 EFCDRO CC(C)[C@@H](O)C1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000883083507 1293453692 /nfs/dbraw/zinc/45/36/92/1293453692.db2.gz OLLVZQPPEZZYTC-LJQANCHMSA-N 1 0 332.488 2.534 20 10 EFCDRO C[N@H+](C/C=C\Cl)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194374047 1293602720 /nfs/dbraw/zinc/60/27/20/1293602720.db2.gz BKPJNSXHTMVMOZ-QPIOPKGTSA-N 1 0 349.822 2.748 20 10 EFCDRO COc1ccc(CC[N@@H+](Cc2ccc(O)c(O)c2)C[C@@H](C)O)cc1 ZINC001203875912 1313038383 /nfs/dbraw/zinc/03/83/83/1313038383.db2.gz YWFYHOWXNHVTED-CQSZACIVSA-N 1 0 331.412 2.532 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001203875897 1313038582 /nfs/dbraw/zinc/03/85/82/1313038582.db2.gz YDTQZDIVVMOXKU-LJQANCHMSA-N 1 0 348.443 2.931 20 10 EFCDRO CC(C)(C)OC(=O)N[C@@H]1CCCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203875108 1313038636 /nfs/dbraw/zinc/03/86/36/1313038636.db2.gz HLRNYEYKHPVOSW-CQSZACIVSA-N 1 0 336.432 2.977 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@@]12CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203874888 1313038655 /nfs/dbraw/zinc/03/86/55/1313038655.db2.gz DWUZBEYYORMQNV-GOSISDBHSA-N 1 0 334.416 2.683 20 10 EFCDRO Oc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)cc1O ZINC001203876663 1313039397 /nfs/dbraw/zinc/03/93/97/1313039397.db2.gz HBMCRYNVINRPNV-HUUCEWRRSA-N 1 0 345.468 2.651 20 10 EFCDRO Oc1ccc(C[NH+]2CCC3(CCCN3c3ncccn3)CC2)cc1O ZINC001203877959 1313039515 /nfs/dbraw/zinc/03/95/15/1313039515.db2.gz MAIPIRJCNKFARR-UHFFFAOYSA-N 1 0 340.427 2.523 20 10 EFCDRO NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203879279 1313040199 /nfs/dbraw/zinc/04/01/99/1313040199.db2.gz HUJWBDFGMUMDQA-APWZRJJASA-N 1 0 340.423 2.721 20 10 EFCDRO CC[N@H+](Cc1ccc(O)c(O)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203880466 1313039611 /nfs/dbraw/zinc/03/96/11/1313039611.db2.gz SRZCFHGQVOFASS-AWEZNQCLSA-N 1 0 336.432 2.929 20 10 EFCDRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203881705 1313040556 /nfs/dbraw/zinc/04/05/56/1313040556.db2.gz TVMRINOFMWAQFG-UHFFFAOYSA-N 1 0 341.411 2.884 20 10 EFCDRO COc1cccc(OC2CC[NH+](Cc3ccc(O)c(O)c3)CC2)n1 ZINC001203883394 1313040960 /nfs/dbraw/zinc/04/09/60/1313040960.db2.gz JWNDDZXOWUCKMR-UHFFFAOYSA-N 1 0 330.384 2.545 20 10 EFCDRO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000884202933 1294045234 /nfs/dbraw/zinc/04/52/34/1294045234.db2.gz LOXFVWZSYMSSNA-MAUKXSAKSA-N 1 0 347.503 2.710 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)cc1 ZINC001203931924 1313049367 /nfs/dbraw/zinc/04/93/67/1313049367.db2.gz YQLIEVGOEJOGSJ-GJZGRUSLSA-N 1 0 334.357 2.980 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)cc1 ZINC001203931928 1313049596 /nfs/dbraw/zinc/04/95/96/1313049596.db2.gz YQLIEVGOEJOGSJ-LSDHHAIUSA-N 1 0 334.357 2.980 20 10 EFCDRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccc(N(C)C)cc3)O2)n1 ZINC001203931080 1313049630 /nfs/dbraw/zinc/04/96/30/1313049630.db2.gz AZPBUIIACCHEBA-KZNAEPCWSA-N 1 0 342.443 2.939 20 10 EFCDRO Cc1noc([C@@H]2C[C@@H]3CC[N@@H+](Cc4ccc(N(C)C)cc4)C[C@H]3O2)n1 ZINC001203931699 1313049678 /nfs/dbraw/zinc/04/96/78/1313049678.db2.gz TZVUBCLQZCAWOF-RYQLBKOJSA-N 1 0 342.443 2.796 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCCN(c3ccc(F)cn3)CC2)cc1 ZINC001203930536 1313049962 /nfs/dbraw/zinc/04/99/62/1313049962.db2.gz XZHJIIDPCYSNGH-UHFFFAOYSA-N 1 0 328.435 2.999 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)cc1 ZINC001203933139 1313050802 /nfs/dbraw/zinc/05/08/02/1313050802.db2.gz HWJFEVXDMIHIBL-UXHICEINSA-N 1 0 330.472 2.913 20 10 EFCDRO C[NH2+]CCOc1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000884305636 1294089662 /nfs/dbraw/zinc/08/96/62/1294089662.db2.gz BIZNUKQOJSBKLY-UHFFFAOYSA-N 1 0 341.455 2.623 20 10 EFCDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1ccc(N(C)C)cc1)C2 ZINC001203933753 1313050511 /nfs/dbraw/zinc/05/05/11/1313050511.db2.gz PMPAYLHYRBOLRR-UHFFFAOYSA-N 1 0 341.503 2.805 20 10 EFCDRO CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(N(C)C)cc3)CC[C@H]21 ZINC001203932988 1313050557 /nfs/dbraw/zinc/05/05/57/1313050557.db2.gz FNQKEGQIFRBUOB-IEBWSBKVSA-N 1 0 329.488 2.831 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)cc1 ZINC001203933137 1313050563 /nfs/dbraw/zinc/05/05/63/1313050563.db2.gz HWJFEVXDMIHIBL-PMACEKPBSA-N 1 0 330.472 2.913 20 10 EFCDRO Cc1nccnc1O[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203937601 1313051915 /nfs/dbraw/zinc/05/19/15/1313051915.db2.gz ZGMDDBCOJMOIMB-SFHVURJKSA-N 1 0 326.444 2.894 20 10 EFCDRO CCNC(=O)CO[C@H]1CCC[N@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC001203942889 1313052359 /nfs/dbraw/zinc/05/23/59/1313052359.db2.gz XHKQDHMKWXQPQJ-IBGZPJMESA-N 1 0 347.503 2.650 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)cc1 ZINC001203946812 1313052663 /nfs/dbraw/zinc/05/26/63/1313052663.db2.gz XLMXJJSFISSNMB-SFHVURJKSA-N 1 0 326.444 2.976 20 10 EFCDRO CC(C)[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001016991192 1313074897 /nfs/dbraw/zinc/07/48/97/1313074897.db2.gz ADZVQRKKBVMGIA-HNNXBMFYSA-N 1 0 343.431 2.842 20 10 EFCDRO COc1cc(Br)cc(CN2C[C@@H](C)CC[C@@H]2C[NH3+])c1O ZINC001205803271 1294514662 /nfs/dbraw/zinc/51/46/62/1294514662.db2.gz FKHFGBICUCFAQJ-GXFFZTMASA-N 1 0 343.265 2.723 20 10 EFCDRO COCCOCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc(C(C)(C)C)ccc1O ZINC001276446593 1313097478 /nfs/dbraw/zinc/09/74/78/1313097478.db2.gz XBJQXWGVCOEKDY-HDICACEKSA-N 1 0 348.487 2.569 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(NC(N)=O)CC2)c2ccccc21 ZINC001204232449 1313105472 /nfs/dbraw/zinc/10/54/72/1313105472.db2.gz DKIRQKLCWUOQGW-UHFFFAOYSA-N 1 0 326.444 2.539 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c2ccccc21 ZINC001204242924 1313106561 /nfs/dbraw/zinc/10/65/61/1313106561.db2.gz UFIJGTIACDCTGA-GOSISDBHSA-N 1 0 339.483 2.812 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCN(C(=O)C3CC3)CC2)c2ccccc21 ZINC001204242205 1313106756 /nfs/dbraw/zinc/10/67/56/1313106756.db2.gz MSUOYELBWRZEHX-UHFFFAOYSA-N 1 0 337.467 2.960 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c2ccccc21 ZINC001204240502 1313106814 /nfs/dbraw/zinc/10/68/14/1313106814.db2.gz VPOPTWDZYUCQNA-HXUWFJFHSA-N 1 0 339.439 2.980 20 10 EFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccc(Cl)o3)cc2)CC1 ZINC000886325637 1294856070 /nfs/dbraw/zinc/85/60/70/1294856070.db2.gz MKKORKGRISNIIY-UHFFFAOYSA-N 1 0 347.846 2.925 20 10 EFCDRO COc1ccc(Br)c(CN2C[C@@H](C)CC[C@H]2C[NH3+])c1O ZINC001205827635 1294911517 /nfs/dbraw/zinc/91/15/17/1294911517.db2.gz HTMNBFNAHGSJMM-QWRGUYRKSA-N 1 0 343.265 2.723 20 10 EFCDRO O=C1CC2(CC[NH+](Cc3ccc(O)cc3O)CC2)c2ccccc2N1 ZINC001204274495 1313113221 /nfs/dbraw/zinc/11/32/21/1313113221.db2.gz CGEDEHHFZGZIRB-UHFFFAOYSA-N 1 0 338.407 2.974 20 10 EFCDRO COc1ccc(CC[N@@H+](Cc2ccc(O)cc2O)C[C@@H](C)O)cc1 ZINC001204272798 1313113380 /nfs/dbraw/zinc/11/33/80/1313113380.db2.gz SHJMVYNUFLBPOB-CQSZACIVSA-N 1 0 331.412 2.532 20 10 EFCDRO Oc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)c(O)c1 ZINC001204274565 1313113542 /nfs/dbraw/zinc/11/35/42/1313113542.db2.gz PBNTUHZFEWENEF-BBRMVZONSA-N 1 0 345.468 2.651 20 10 EFCDRO Oc1ccc(C[NH+]2CCN(c3noc4ccccc43)CC2)c(O)c1 ZINC001204273003 1313113582 /nfs/dbraw/zinc/11/35/82/1313113582.db2.gz WBFSSKXTRWUFAP-UHFFFAOYSA-N 1 0 325.368 2.561 20 10 EFCDRO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204273110 1313113657 /nfs/dbraw/zinc/11/36/57/1313113657.db2.gz YSMRAVIGPJENMM-GOSISDBHSA-N 1 0 336.432 2.977 20 10 EFCDRO COc1ccc(CC[N@@H+](Cc2ccc(O)cc2O)C[C@H](C)O)cc1 ZINC001204272795 1313113666 /nfs/dbraw/zinc/11/36/66/1313113666.db2.gz SHJMVYNUFLBPOB-AWEZNQCLSA-N 1 0 331.412 2.532 20 10 EFCDRO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204273111 1313113707 /nfs/dbraw/zinc/11/37/07/1313113707.db2.gz YSMRAVIGPJENMM-SFHVURJKSA-N 1 0 336.432 2.977 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@@]12CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204276048 1313114117 /nfs/dbraw/zinc/11/41/17/1313114117.db2.gz FCVGHIXEOOZPLV-GOSISDBHSA-N 1 0 334.416 2.683 20 10 EFCDRO Oc1ccc(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)c(O)c1 ZINC001204275749 1313114238 /nfs/dbraw/zinc/11/42/38/1313114238.db2.gz YUYNLAKUCMRPPQ-UHFFFAOYSA-N 1 0 348.406 2.551 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(O)cc3O)CC[C@@H]21 ZINC001204276582 1313114297 /nfs/dbraw/zinc/11/42/97/1313114297.db2.gz NRLUFMQSCCJUGB-CJNGLKHVSA-N 1 0 348.443 2.929 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(O)cc3O)CC[C@H]21 ZINC001204276583 1313114312 /nfs/dbraw/zinc/11/43/12/1313114312.db2.gz NRLUFMQSCCJUGB-CZUORRHYSA-N 1 0 348.443 2.929 20 10 EFCDRO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3ccc(O)cc3O)C2)CC1 ZINC001204277008 1313114378 /nfs/dbraw/zinc/11/43/78/1313114378.db2.gz VRCVNMJEIVJYPM-UHFFFAOYSA-N 1 0 348.443 2.931 20 10 EFCDRO CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(O)cc3O)C[C@@H]2C1 ZINC001204276376 1313114405 /nfs/dbraw/zinc/11/44/05/1313114405.db2.gz LBOSNRQHPZQDJP-UKRRQHHQSA-N 1 0 348.443 2.787 20 10 EFCDRO Cc1cccn2c(=O)cc(C[NH2+][C@@H](C)c3ccc(N(C)C)cc3)nc12 ZINC000775833249 1294951844 /nfs/dbraw/zinc/95/18/44/1294951844.db2.gz AFMKAYXEGRTTJQ-HNNXBMFYSA-N 1 0 336.439 2.920 20 10 EFCDRO O=c1oc2ccccc2n1C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204279272 1313114961 /nfs/dbraw/zinc/11/49/61/1313114961.db2.gz VFZRTBWNBDFGBW-UHFFFAOYSA-N 1 0 340.379 2.843 20 10 EFCDRO COc1cccnc1O[C@@H]1CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204278092 1313115123 /nfs/dbraw/zinc/11/51/23/1313115123.db2.gz SPTSUATYYIRRGU-OAHLLOKOSA-N 1 0 330.384 2.545 20 10 EFCDRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204278247 1313115314 /nfs/dbraw/zinc/11/53/14/1313115314.db2.gz ZLEOYCAILGCYAO-WFASDCNBSA-N 1 0 336.432 2.975 20 10 EFCDRO COc1cc(OC2CC[NH+](Cc3ccc(O)cc3O)CC2)ccn1 ZINC001204278173 1313115396 /nfs/dbraw/zinc/11/53/96/1313115396.db2.gz WMMSUTAZDSYMAN-UHFFFAOYSA-N 1 0 330.384 2.545 20 10 EFCDRO CCOC(=O)Cc1ccc2c(c1)C[N@@H+](Cc1ccc(O)cc1O)CC2 ZINC001204277303 1313115483 /nfs/dbraw/zinc/11/54/83/1313115483.db2.gz YKIVDOGWOXLOKO-UHFFFAOYSA-N 1 0 341.407 2.762 20 10 EFCDRO CC(C)(C)OC(=O)NC1(C)CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204278568 1313115560 /nfs/dbraw/zinc/11/55/60/1313115560.db2.gz FVUVDQUSCYYIDA-UHFFFAOYSA-N 1 0 336.432 2.977 20 10 EFCDRO Oc1ccc(C[NH+]2CCC(Oc3ccc(Cl)nn3)CC2)c(O)c1 ZINC001204281048 1313115821 /nfs/dbraw/zinc/11/58/21/1313115821.db2.gz ODBVCDCEMAIUAL-UHFFFAOYSA-N 1 0 335.791 2.585 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)NC(=O)Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000775835586 1294966052 /nfs/dbraw/zinc/96/60/52/1294966052.db2.gz VGLMRZGPHVAWHL-CQSZACIVSA-N 1 0 340.427 2.752 20 10 EFCDRO CN(C[C@H]1CC[N@H+](Cc2ccc(O)cc2O)C1)C(=O)OC(C)(C)C ZINC001204280026 1313116092 /nfs/dbraw/zinc/11/60/92/1313116092.db2.gz JQSMJIJCUFQODS-CYBMUJFWSA-N 1 0 336.432 2.787 20 10 EFCDRO CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1ccc(O)cc1O ZINC001204281863 1313116209 /nfs/dbraw/zinc/11/62/09/1313116209.db2.gz YAKPQMQRRHZXBS-OAHLLOKOSA-N 1 0 339.432 2.668 20 10 EFCDRO COc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775834378 1294977502 /nfs/dbraw/zinc/97/75/02/1294977502.db2.gz NECPTWRDEKJABV-OAHLLOKOSA-N 1 0 341.455 2.728 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)NCCOc1ccccc1)c1ccc(N(C)C)cc1 ZINC000775834120 1294979561 /nfs/dbraw/zinc/97/95/61/1294979561.db2.gz KMBDWTFPOJIFEE-MRXNPFEDSA-N 1 0 341.455 2.598 20 10 EFCDRO C[C@H]([NH2+]CC(=O)NCCOc1ccccc1)c1ccc(N(C)C)cc1 ZINC000775834119 1294979670 /nfs/dbraw/zinc/97/96/70/1294979670.db2.gz KMBDWTFPOJIFEE-INIZCTEOSA-N 1 0 341.455 2.598 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1c([O-])cccc1F ZINC000886587661 1295035730 /nfs/dbraw/zinc/03/57/30/1295035730.db2.gz CKYSSJCNTBTWJR-PBHICJAKSA-N 1 0 344.430 2.949 20 10 EFCDRO CN(C)C(=O)[C@@H]1CC12CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204321210 1313121963 /nfs/dbraw/zinc/12/19/63/1313121963.db2.gz AIODASQFPMRDQL-IBGZPJMESA-N 1 0 341.499 2.977 20 10 EFCDRO COC[C@H]1Cn2nccc2C[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204321265 1313122097 /nfs/dbraw/zinc/12/20/97/1313122097.db2.gz BBCGEDMHTRDVEA-GOSISDBHSA-N 1 0 340.471 2.762 20 10 EFCDRO O=C1NCCCC12CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204320866 1313122159 /nfs/dbraw/zinc/12/21/59/1313122159.db2.gz BPVDDYZZQBLUSY-UHFFFAOYSA-N 1 0 327.472 2.779 20 10 EFCDRO CC(C)(O)CC[NH+]1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204328788 1313123100 /nfs/dbraw/zinc/12/31/00/1313123100.db2.gz NHMGYFPOVSYOEZ-UHFFFAOYSA-N 1 0 331.504 2.565 20 10 EFCDRO c1cc(N2CCCC2)ccc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001204327550 1313123238 /nfs/dbraw/zinc/12/32/38/1313123238.db2.gz YLAYUGHQPSBOAK-HXUWFJFHSA-N 1 0 329.488 2.583 20 10 EFCDRO c1cc(N2CCCC2)ccc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001204327549 1313123308 /nfs/dbraw/zinc/12/33/08/1313123308.db2.gz YLAYUGHQPSBOAK-FQEVSTJZSA-N 1 0 329.488 2.583 20 10 EFCDRO O=C1[C@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)C[C@H]2CN1CC1CC1 ZINC001204327848 1313123463 /nfs/dbraw/zinc/12/34/63/1313123463.db2.gz KEUGDWVTLDXUDB-ICSRJNTNSA-N 1 0 339.483 2.587 20 10 EFCDRO c1cc(N2CCCC2)ccc1C[N@H+]1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001204326362 1313123618 /nfs/dbraw/zinc/12/36/18/1313123618.db2.gz GNWIAMMAZLNMEY-PWRODBHTSA-N 1 0 342.483 2.913 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H](OCc3ccccc3)C2)cc(O)c1O ZINC001204341866 1313125797 /nfs/dbraw/zinc/12/57/97/1313125797.db2.gz GZFPYRUACPAJDZ-INIZCTEOSA-N 1 0 329.396 2.898 20 10 EFCDRO COc1cc(C[N@H+](C2CCCC2)C2CCN(C)CC2)cc(O)c1O ZINC001204350349 1313127140 /nfs/dbraw/zinc/12/71/40/1313127140.db2.gz GLGNPOLRYPGVRA-UHFFFAOYSA-N 1 0 334.460 2.945 20 10 EFCDRO COc1cc(CN2CC[N@@H+]3CCc4ccccc4[C@H]3C2)cc(O)c1O ZINC001204346700 1313127340 /nfs/dbraw/zinc/12/73/40/1313127340.db2.gz WHQDTWJHAZXTOS-QGZVFWFLSA-N 1 0 340.423 2.521 20 10 EFCDRO COc1cc(CN2CCC[C@@H](Oc3ncccc3C)C2)cc(O)c1O ZINC001204351197 1313127929 /nfs/dbraw/zinc/12/79/29/1313127929.db2.gz OKUYILXAIGBWFE-OAHLLOKOSA-N 1 0 344.411 2.853 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@H]1C[C@H]1C ZINC000886751541 1295133655 /nfs/dbraw/zinc/13/36/55/1295133655.db2.gz TZTQRSJCBAIMIA-CCKFTAQKSA-N 1 0 329.488 2.913 20 10 EFCDRO COCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(C)c1O ZINC001273770489 1295198921 /nfs/dbraw/zinc/19/89/21/1295198921.db2.gz RWOUZPDMAQVNJY-HXUWFJFHSA-N 1 0 346.471 2.694 20 10 EFCDRO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(C)c1O ZINC001273770472 1295199220 /nfs/dbraw/zinc/19/92/20/1295199220.db2.gz RSUSBBJXUZJHTR-YWZLYKJASA-N 1 0 344.455 2.635 20 10 EFCDRO COc1ccc2ccc(O)c(C[NH+]3CCC4(CC(=O)CO4)CC3)c2c1 ZINC001234525432 1313145218 /nfs/dbraw/zinc/14/52/18/1313145218.db2.gz HMGHFTSRQPPCET-UHFFFAOYSA-N 1 0 341.407 2.878 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(CCN(CC(F)F)C3=O)C2)c1O ZINC001274100064 1295452466 /nfs/dbraw/zinc/45/24/66/1295452466.db2.gz UKJNGULSMSOOGC-QGZVFWFLSA-N 1 0 342.361 2.529 20 10 EFCDRO CC[C@@H]([NH2+][C@@H]1COC[C@H]1OC)c1cc(Br)ccc1O ZINC000842909573 1295474909 /nfs/dbraw/zinc/47/49/09/1295474909.db2.gz JJOKFVUEQQMUDZ-YRGRVCCFSA-N 1 0 330.222 2.609 20 10 EFCDRO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC001234569378 1313160271 /nfs/dbraw/zinc/16/02/71/1313160271.db2.gz MAIOXULELFUYDZ-KRWDZBQOSA-N 1 0 328.412 2.655 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC(=O)N4CCC[C@H]4C3)c2c1 ZINC001234569667 1313160484 /nfs/dbraw/zinc/16/04/84/1313160484.db2.gz QFUGESRJEJEQBD-HNNXBMFYSA-N 1 0 340.423 2.751 20 10 EFCDRO COCCCC(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001199490837 1295541969 /nfs/dbraw/zinc/54/19/69/1295541969.db2.gz KLIYGGCBOGFGBW-UHFFFAOYSA-N 1 0 334.460 2.511 20 10 EFCDRO CCO[C@@H](CC)C(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001199594462 1295608759 /nfs/dbraw/zinc/60/87/59/1295608759.db2.gz HKOAGNBUQPUWCK-SFHVURJKSA-N 1 0 348.487 2.899 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)C[C@@H](C)OC)CC2)cc1C ZINC001199715558 1295702060 /nfs/dbraw/zinc/70/20/60/1295702060.db2.gz FBGDDVDKJCHFFT-OAHLLOKOSA-N 1 0 334.460 2.509 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000105272884 1295735172 /nfs/dbraw/zinc/73/51/72/1295735172.db2.gz WTBKJKWRLMQMRY-GJZGRUSLSA-N 1 0 349.475 2.881 20 10 EFCDRO CC[NH+]1CCN(c2ccc(O[C@@H]3CCC[C@@H](C(=O)OC)C3)cc2)CC1 ZINC001234660379 1313179375 /nfs/dbraw/zinc/17/93/75/1313179375.db2.gz HFVZMJVVSDEQML-VQIMIIECSA-N 1 0 346.471 2.939 20 10 EFCDRO CCC[C@@H](Oc1ccc(N2CC[NH+](CC)CC2)cc1)C(=O)OCC ZINC001234658129 1313179385 /nfs/dbraw/zinc/17/93/85/1313179385.db2.gz VAUJRFSBYGAWHI-GOSISDBHSA-N 1 0 334.460 2.939 20 10 EFCDRO CN(C[C@@H]1CC1(C)C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889660710 1295793059 /nfs/dbraw/zinc/79/30/59/1295793059.db2.gz GLDHXSFTCJBGQG-KRWDZBQOSA-N 1 0 344.503 2.626 20 10 EFCDRO C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889661019 1295793087 /nfs/dbraw/zinc/79/30/87/1295793087.db2.gz OQCPGLMVMPHCEP-IXDOHACOSA-N 1 0 344.503 2.624 20 10 EFCDRO CC(C)CC1(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000889660893 1295793293 /nfs/dbraw/zinc/79/32/93/1295793293.db2.gz LLUFOQQGNYMFEI-UHFFFAOYSA-N 1 0 344.503 2.816 20 10 EFCDRO CC[C@H]1C[C@H](C)CN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889669326 1295794044 /nfs/dbraw/zinc/79/40/44/1295794044.db2.gz GPJOYTJRCWANGZ-WMZOPIPTSA-N 1 0 344.503 2.768 20 10 EFCDRO C[C@H]1CCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000889669855 1295794210 /nfs/dbraw/zinc/79/42/10/1295794210.db2.gz UIWUUCHFJBTJRB-IRXDYDNUSA-N 1 0 344.503 2.768 20 10 EFCDRO CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCOCC1 ZINC000776028454 1295795945 /nfs/dbraw/zinc/79/59/45/1295795945.db2.gz BYDAHKFZBRUJBA-LJQANCHMSA-N 1 0 347.503 2.506 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(N2CCOCC2)c(F)c1 ZINC000305075524 1295876221 /nfs/dbraw/zinc/87/62/21/1295876221.db2.gz NPEUEAWSAXLFOZ-CXAGYDPISA-N 1 0 334.391 2.640 20 10 EFCDRO CC[C@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3c(C)cccc3O)C2)C1=O ZINC001274302161 1296056504 /nfs/dbraw/zinc/05/65/04/1296056504.db2.gz WRKAQXXILLQFFX-YWZLYKJASA-N 1 0 344.455 2.840 20 10 EFCDRO CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3c(C)cccc3O)C2)C1=O ZINC001274302155 1296056628 /nfs/dbraw/zinc/05/66/28/1296056628.db2.gz WRKAQXXILLQFFX-FOIQADDNSA-N 1 0 344.455 2.840 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[C@](C)([NH3+])C2)c2ccccc2n1C ZINC001204946297 1313214215 /nfs/dbraw/zinc/21/42/15/1313214215.db2.gz MZSTVILWAUYAHQ-IBGZPJMESA-N 1 0 329.444 2.668 20 10 EFCDRO C[N@H+](CCN1CCOCC1)Cc1cccc(-c2ccccc2)c1O ZINC001234993168 1313218781 /nfs/dbraw/zinc/21/87/81/1313218781.db2.gz UYSSFWKCZRHCBB-UHFFFAOYSA-N 1 0 326.440 2.823 20 10 EFCDRO CCCCN1C[C@]2(CC[N@H+](Cc3ccc(CC)cc3O)C2)OCC1=O ZINC001274652664 1296130029 /nfs/dbraw/zinc/13/00/29/1296130029.db2.gz BZVQMSDMQGGCHV-HXUWFJFHSA-N 1 0 346.471 2.558 20 10 EFCDRO C[C@@]1(CO)CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C[C@H]1O ZINC001234997791 1313219450 /nfs/dbraw/zinc/21/94/50/1313219450.db2.gz DZNRGUNWWMFVOJ-QUCCMNQESA-N 1 0 327.424 2.624 20 10 EFCDRO C[NH+](C)C[C@@H]1COCCN1Cc1cccc(-c2ccccc2)c1O ZINC001234999266 1313219469 /nfs/dbraw/zinc/21/94/69/1313219469.db2.gz QWWAJTMPPZMHOD-GOSISDBHSA-N 1 0 326.440 2.822 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2O)CCCO1 ZINC001234998900 1313219754 /nfs/dbraw/zinc/21/97/54/1313219754.db2.gz PIBQBDLEOQSSEH-SFHVURJKSA-N 1 0 341.407 2.823 20 10 EFCDRO C[C@]1(CO)CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C[C@@H]1O ZINC001234997778 1313220081 /nfs/dbraw/zinc/22/00/81/1313220081.db2.gz DZNRGUNWWMFVOJ-AZUAARDMSA-N 1 0 327.424 2.624 20 10 EFCDRO CC(C)NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC001275266923 1296246476 /nfs/dbraw/zinc/24/64/76/1296246476.db2.gz GHTWVMOJZDYDEP-UHFFFAOYSA-N 1 0 331.460 2.798 20 10 EFCDRO Cc1ncsc1CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1O)C2 ZINC001275267630 1296247011 /nfs/dbraw/zinc/24/70/11/1296247011.db2.gz UOZFPSIDTLFZIE-ZBFHGGJFSA-N 1 0 329.469 2.863 20 10 EFCDRO CCn1ccnc1CN1CC2(C1)CCC[N@H+](Cc1ccccc1O)C2 ZINC001275267611 1296247265 /nfs/dbraw/zinc/24/72/65/1296247265.db2.gz SXVZNQHPIUQFGE-UHFFFAOYSA-N 1 0 340.471 2.707 20 10 EFCDRO Oc1cc(Cl)c(Cl)cc1CN1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235023640 1313226707 /nfs/dbraw/zinc/22/67/07/1313226707.db2.gz VLFPRPYSTNLKEG-INIZCTEOSA-N 1 0 345.270 2.901 20 10 EFCDRO Oc1ccc(Br)cc1CN1CCCC[C@@]12CC[NH2+]C2 ZINC001235124226 1313248284 /nfs/dbraw/zinc/24/82/84/1313248284.db2.gz LAGIBPWFWSBRFA-HNNXBMFYSA-N 1 0 325.250 2.873 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN1CCCC[C@]12CC[NH2+]C2 ZINC001235130694 1313249655 /nfs/dbraw/zinc/24/96/55/1313249655.db2.gz VPSMAROSINEBOS-LJQANCHMSA-N 1 0 349.906 2.895 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)c2cnco2)cc1C ZINC000960079223 1296433869 /nfs/dbraw/zinc/43/38/69/1296433869.db2.gz OETNZQIHCMGIES-INIZCTEOSA-N 1 0 343.427 2.776 20 10 EFCDRO Oc1ccc(F)cc1C[N@@H+]1CCCC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001275908423 1296446000 /nfs/dbraw/zinc/44/60/00/1296446000.db2.gz DCIOAUMOPKZBKE-UHFFFAOYSA-N 1 0 329.419 2.957 20 10 EFCDRO Cc1cc(CN2CCC23C[NH+](Cc2c(C)ccc(C)c2O)C3)n(C)n1 ZINC001275969066 1296464225 /nfs/dbraw/zinc/46/42/25/1296464225.db2.gz YSCXZYPOOATVER-UHFFFAOYSA-N 1 0 340.471 2.511 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)cc1 ZINC001235206287 1313263367 /nfs/dbraw/zinc/26/33/67/1313263367.db2.gz LYDRHDFCPABMPZ-PMACEKPBSA-N 1 0 325.456 2.657 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2C[C@H]3CCC[NH2+][C@H]3C2)c1 ZINC001235219101 1313266976 /nfs/dbraw/zinc/26/69/76/1313266976.db2.gz RAWSFPJLQJGAOX-RISCZKNCSA-N 1 0 325.250 2.647 20 10 EFCDRO COc1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)c(O)cc1O ZINC001276092849 1296604808 /nfs/dbraw/zinc/60/48/08/1296604808.db2.gz RQDISBCGKDGEFN-HOTGVXAUSA-N 1 0 332.444 2.698 20 10 EFCDRO CCOC(=O)c1c(CN(C)[C@@H]2CCC[NH2+]C2)c2ccccc2n1C ZINC001235346541 1313297178 /nfs/dbraw/zinc/29/71/78/1313297178.db2.gz HONSRRQCKLQSPP-CQSZACIVSA-N 1 0 329.444 2.539 20 10 EFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776161044 1296778776 /nfs/dbraw/zinc/77/87/76/1296778776.db2.gz JJZYYMUJDCBMMH-RDJZCZTQSA-N 1 0 332.492 2.987 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCc3ccc(CO)cc3)CC2)cc1 ZINC000776166487 1296799251 /nfs/dbraw/zinc/79/92/51/1296799251.db2.gz ASMPPFBCBHQPSJ-UHFFFAOYSA-N 1 0 340.467 2.989 20 10 EFCDRO CC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001017267240 1313311337 /nfs/dbraw/zinc/31/13/37/1313311337.db2.gz PSJVEQBDXLEADE-CYBMUJFWSA-N 1 0 331.420 2.653 20 10 EFCDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)cc1Cl ZINC001235457190 1313327669 /nfs/dbraw/zinc/32/76/69/1313327669.db2.gz ANGOOFDEHDVNFQ-SFHVURJKSA-N 1 0 337.895 2.606 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccccc2S(C)(=O)=O)c1 ZINC000926908833 1296974451 /nfs/dbraw/zinc/97/44/51/1296974451.db2.gz VAMGMPWDHCBMJY-ZDUSSCGKSA-N 1 0 349.452 2.698 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001205673405 1313335216 /nfs/dbraw/zinc/33/52/16/1313335216.db2.gz QJDQNQSWWZVEQB-FQEVSTJZSA-N 1 0 327.472 2.770 20 10 EFCDRO Cc1cc(CN2CC[NH2+]C[C@H]2C(C)C)c(O)cc1Br ZINC001235459087 1313327444 /nfs/dbraw/zinc/32/74/44/1313327444.db2.gz MNDFIIOFYNGJMG-AWEZNQCLSA-N 1 0 327.266 2.893 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)[C@H]2CCOC2)c1O ZINC000776219382 1297130661 /nfs/dbraw/zinc/13/06/61/1297130661.db2.gz OLJHMLICCNTEEU-UWVGGRQHSA-N 1 0 330.222 2.678 20 10 EFCDRO Cc1cc(Br)cc(CN2CCC(F)(F)[C@H](C[NH3+])C2)c1O ZINC001205787105 1313355222 /nfs/dbraw/zinc/35/52/22/1313355222.db2.gz FPQYTWGPWXURCO-LLVKDONJSA-N 1 0 349.219 2.879 20 10 EFCDRO Cc1c(C)n(C)c2ccc(OS(=O)(=O)CC3([NH+](C)C)CC3)cc12 ZINC000867422885 1297208804 /nfs/dbraw/zinc/20/88/04/1297208804.db2.gz VPQLGJHCZZFCGC-UHFFFAOYSA-N 1 0 336.457 2.598 20 10 EFCDRO Oc1ccccc1CN(Cc1noc2c1COCC2)C[C@H]1CCCO1 ZINC000929969741 1297219193 /nfs/dbraw/zinc/21/91/93/1297219193.db2.gz CNHOVXWAZUDVEQ-OAHLLOKOSA-N 1 0 344.411 2.634 20 10 EFCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000776239197 1297225180 /nfs/dbraw/zinc/22/51/80/1297225180.db2.gz RRXDBBWRKCRNJM-JKSUJKDBSA-N 1 0 332.492 2.797 20 10 EFCDRO COC(=O)c1c(CN2C[C@@H](C)CC[C@@H]2C[NH3+])c2ccccc2n1C ZINC001205838522 1313363830 /nfs/dbraw/zinc/36/38/30/1313363830.db2.gz CKYNOYZXOCZPED-UONOGXRCSA-N 1 0 329.444 2.524 20 10 EFCDRO COc1cc(O)c(CN2C[C@H](C)CC[C@@H]2C[NH3+])c(Br)c1 ZINC001205855801 1313366595 /nfs/dbraw/zinc/36/65/95/1313366595.db2.gz PIPPGQXOQBIFCK-GHMZBOCLSA-N 1 0 343.265 2.723 20 10 EFCDRO COCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C12CCC2 ZINC001202281868 1297321527 /nfs/dbraw/zinc/32/15/27/1297321527.db2.gz VITWUEWCVBYBEL-MSOLQXFVSA-N 1 0 346.471 2.557 20 10 EFCDRO COCCC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C12CCC2 ZINC001202281871 1297322111 /nfs/dbraw/zinc/32/21/11/1297322111.db2.gz VITWUEWCVBYBEL-ZWKOTPCHSA-N 1 0 346.471 2.557 20 10 EFCDRO CC(C)(C)c1ccc(CN2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c(O)c1 ZINC001235678822 1313373531 /nfs/dbraw/zinc/37/35/31/1313373531.db2.gz LSKMHGNLIDTYDL-KDURUIRLSA-N 1 0 344.499 2.985 20 10 EFCDRO Cc1cc(Br)cc(CN2CCCC3(C[NH2+]C3)C2)c1O ZINC001235712807 1313381942 /nfs/dbraw/zinc/38/19/42/1313381942.db2.gz FYWOUEPHXUJXPT-UHFFFAOYSA-N 1 0 325.250 2.649 20 10 EFCDRO CN(C)c1ccc(CN2CC[NH2+]C[C@@H]2c2ccccc2F)c(O)c1 ZINC001235754594 1313387996 /nfs/dbraw/zinc/38/79/96/1313387996.db2.gz VPLZCBXBDXPYEW-GOSISDBHSA-N 1 0 329.419 2.744 20 10 EFCDRO COCCCN(Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCC[NH2+]C1 ZINC001235806216 1313400686 /nfs/dbraw/zinc/40/06/86/1313400686.db2.gz MFYQEYRKAKLMHU-OAHLLOKOSA-N 1 0 342.867 2.645 20 10 EFCDRO CCOC(=O)c1c(CN2CC[NH2+]C(C)(C)C2)c2ccccc2n1C ZINC001235838530 1313406456 /nfs/dbraw/zinc/40/64/56/1313406456.db2.gz WORVGZWVLDXGBZ-UHFFFAOYSA-N 1 0 329.444 2.539 20 10 EFCDRO CCOc1ccc(CN2CC[NH2+]C[C@@H]2Cc2ccccc2)c(O)c1 ZINC001235858303 1313410876 /nfs/dbraw/zinc/41/08/76/1313410876.db2.gz ZDBPKBWEZYYQCZ-SFHVURJKSA-N 1 0 326.440 2.807 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[C@@H]([NH3+])C(F)(F)C2)c(OC)c1 ZINC001235912125 1313416223 /nfs/dbraw/zinc/41/62/23/1313416223.db2.gz PZGKXHXLPQIQOO-MRXNPFEDSA-N 1 0 327.419 2.710 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@H]([NH3+])CC[C@@H]2C)c2ccccc2n1C ZINC001235909170 1313416263 /nfs/dbraw/zinc/41/62/63/1313416263.db2.gz ZVCVVTVKOPPWEZ-UONOGXRCSA-N 1 0 329.444 2.667 20 10 EFCDRO CCOC(=O)c1c(CN2CC[C@H]([NH3+])[C@@H](F)CC2)c2ccccc2n1C ZINC001206197893 1313419600 /nfs/dbraw/zinc/41/96/00/1313419600.db2.gz KCCVLSYCBUAMTF-HOTGVXAUSA-N 1 0 347.434 2.616 20 10 EFCDRO CCOC(=O)c1c(CN2CC[C@@H]([NH3+])[C@H](F)CC2)c2ccccc2n1C ZINC001206197894 1313419926 /nfs/dbraw/zinc/41/99/26/1313419926.db2.gz KCCVLSYCBUAMTF-HZPDHXFCSA-N 1 0 347.434 2.616 20 10 EFCDRO Cc1cc(C)c(C[NH+]2CC3(CCN3Cc3cccc(=O)[nH]3)C2)c(O)c1 ZINC001276364834 1297752302 /nfs/dbraw/zinc/75/23/02/1297752302.db2.gz GGWWAOGQHXPEOQ-UHFFFAOYSA-N 1 0 339.439 2.570 20 10 EFCDRO CCN(Cc1cc(Br)cc(OC)c1O)[C@@H]1CCC[NH2+]C1 ZINC001236005771 1313430261 /nfs/dbraw/zinc/43/02/61/1313430261.db2.gz PCOOJISELXJKFX-CYBMUJFWSA-N 1 0 343.265 2.737 20 10 EFCDRO CCN(Cc1c(Br)ccc(OC)c1O)[C@@H]1CCC[NH2+]C1 ZINC001236007592 1313430528 /nfs/dbraw/zinc/43/05/28/1313430528.db2.gz OKNBOPNABFJZRA-LLVKDONJSA-N 1 0 343.265 2.737 20 10 EFCDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000187995795 1297808082 /nfs/dbraw/zinc/80/80/82/1297808082.db2.gz UILVBQDDZORDKX-INIZCTEOSA-N 1 0 329.396 2.810 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@H]([NH3+])C[C@H](C)C2)c2ccccc2n1C ZINC001236050784 1313434279 /nfs/dbraw/zinc/43/42/79/1313434279.db2.gz IYMUQQOKOMDATD-UONOGXRCSA-N 1 0 329.444 2.524 20 10 EFCDRO CCC[C@@H]1C[NH2+]CCN1Cc1c2ccccc2n(C)c1C(=O)OC ZINC001236133396 1313445287 /nfs/dbraw/zinc/44/52/87/1313445287.db2.gz VOOJNXWKPKDDPV-CQSZACIVSA-N 1 0 329.444 2.539 20 10 EFCDRO COC(=O)C[C@@]1([NH2+]Cc2cc(Cl)c(C)cc2O)CCCOC1 ZINC000825535675 1298018823 /nfs/dbraw/zinc/01/88/23/1298018823.db2.gz BFPYXZVNKJFUDR-INIZCTEOSA-N 1 0 327.808 2.556 20 10 EFCDRO COC(=O)c1c(CN(C)[C@@]2(C)CCC[NH2+]C2)c2ccccc2n1C ZINC001236208668 1313455762 /nfs/dbraw/zinc/45/57/62/1313455762.db2.gz VRXSPGDTPZYOCB-IBGZPJMESA-N 1 0 329.444 2.539 20 10 EFCDRO Oc1ccc(Br)cc1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000779206966 1298056679 /nfs/dbraw/zinc/05/66/79/1298056679.db2.gz HKRYTZLEMNYBOK-UHFFFAOYSA-N 1 0 336.176 2.747 20 10 EFCDRO COc1cnccc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC001206473231 1313460206 /nfs/dbraw/zinc/46/02/06/1313460206.db2.gz FQBDGFLNSLKIJX-UHFFFAOYSA-N 1 0 327.428 2.559 20 10 EFCDRO CCCN(Cc1ccc(OCC(F)(F)F)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236324889 1313469639 /nfs/dbraw/zinc/46/96/39/1313469639.db2.gz WHNOVWMTGBPDOS-CYBMUJFWSA-N 1 0 332.366 2.907 20 10 EFCDRO COCCN(Cc1cc(C(F)(F)F)ccc1O)[C@H]1CCC[NH2+]C1 ZINC001236328000 1313470492 /nfs/dbraw/zinc/47/04/92/1313470492.db2.gz HJSFYWNKGGFAHF-AWEZNQCLSA-N 1 0 332.366 2.611 20 10 EFCDRO COCCN(Cc1ccc(C(F)(F)F)cc1O)[C@H]1CCC[NH2+]C1 ZINC001236331665 1313471175 /nfs/dbraw/zinc/47/11/75/1313471175.db2.gz PJEDNLWLQVMJRJ-AWEZNQCLSA-N 1 0 332.366 2.611 20 10 EFCDRO COCCN(Cc1ccc(-n2c(C)ccc2C)cc1)[C@@H]1CC[NH2+]C1 ZINC001236332691 1313471296 /nfs/dbraw/zinc/47/12/96/1313471296.db2.gz HQTTYBMNBGDXMB-HXUWFJFHSA-N 1 0 327.472 2.904 20 10 EFCDRO CCN(CC)c1ccc(CN(CCOC)[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC001236332583 1313471343 /nfs/dbraw/zinc/47/13/43/1313471343.db2.gz UNCUBGUUGOKZQV-IBGZPJMESA-N 1 0 349.519 2.742 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[C@@H]([NH3+])[C@H]2C)c2ccccc2n1C ZINC001236419882 1313478455 /nfs/dbraw/zinc/47/84/55/1313478455.db2.gz MEEJXDDSWARGJR-CZUORRHYSA-N 1 0 329.444 2.667 20 10 EFCDRO OCC[N@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000305720148 1298290429 /nfs/dbraw/zinc/29/04/29/1298290429.db2.gz AJAUZSGWDOQORY-UHFFFAOYSA-N 1 0 326.440 2.518 20 10 EFCDRO COC(=O)c1c(CN2C[C@@H](C[NH3+])CC[C@@H]2C)c2ccccc2n1C ZINC001206770127 1313504138 /nfs/dbraw/zinc/50/41/38/1313504138.db2.gz RGNMWKIHZAOTPL-UONOGXRCSA-N 1 0 329.444 2.524 20 10 EFCDRO Cc1cc(Br)c([O-])c(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1 ZINC001236668415 1313506891 /nfs/dbraw/zinc/50/68/91/1313506891.db2.gz DFLKWGWNLASNMX-UHFFFAOYSA-N 1 0 339.277 2.991 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)c(O)cc1Br ZINC001236744696 1313520517 /nfs/dbraw/zinc/52/05/17/1313520517.db2.gz BQOCLZFTFNGSQN-BMIGLBTASA-N 1 0 344.249 2.756 20 10 EFCDRO C[N@@H+](Cc1cc(O)c(Br)cc1O)CC1CCOCC1 ZINC001236764544 1313524774 /nfs/dbraw/zinc/52/47/74/1313524774.db2.gz FVMYQUMOSFAPJL-UHFFFAOYSA-N 1 0 330.222 2.719 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@H](CO)CC2)c(O)cc1Br ZINC001236748049 1313521039 /nfs/dbraw/zinc/52/10/39/1313521039.db2.gz KHNYLHKSGWHRJX-LLVKDONJSA-N 1 0 344.249 2.758 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@H](O)[C@H](C)C2)c(O)cc1Br ZINC001236744707 1313521347 /nfs/dbraw/zinc/52/13/47/1313521347.db2.gz BVXCVOZGGQVSLO-MFKMUULPSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(O)c(C[N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)cc1OC ZINC001236750632 1313521593 /nfs/dbraw/zinc/52/15/93/1313521593.db2.gz VCUXDXNDWGMCDT-HOTGVXAUSA-N 1 0 339.391 2.821 20 10 EFCDRO COc1cc(C[N@@H+]2CCCC[C@@H](O)C2)c(O)cc1Br ZINC001236748982 1313521789 /nfs/dbraw/zinc/52/17/89/1313521789.db2.gz XQMNCCXCVZWTRB-LLVKDONJSA-N 1 0 330.222 2.510 20 10 EFCDRO COc1cc(CN2CCC[C@H]2C[NH+](C)C)c(O)cc1Br ZINC001236749287 1313521888 /nfs/dbraw/zinc/52/18/88/1313521888.db2.gz AXDGVNSMWORBIL-LBPRGKRZSA-N 1 0 343.265 2.689 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)cc1OC ZINC001236748996 1313521987 /nfs/dbraw/zinc/52/19/87/1313521987.db2.gz DGVHDPOOJKCXGW-BMIGLBTASA-N 1 0 349.349 2.545 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@H](CCO)C2)c(O)cc1Br ZINC001236753545 1313522447 /nfs/dbraw/zinc/52/24/47/1313522447.db2.gz PNEWECMQZFROIY-LLVKDONJSA-N 1 0 344.249 2.758 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC3(C[C@@H](F)CO3)CC2)cc1OC ZINC001236755438 1313522911 /nfs/dbraw/zinc/52/29/11/1313522911.db2.gz DMPMMORVRDWGEE-CYBMUJFWSA-N 1 0 325.380 2.502 20 10 EFCDRO COC(=O)CC[N@H+](Cc1ccco1)Cc1cc(OC)c(OC)cc1O ZINC001236756305 1313523007 /nfs/dbraw/zinc/52/30/07/1313523007.db2.gz MPBCUEVBANPZCL-UHFFFAOYSA-N 1 0 349.383 2.568 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCN(C)[C@H](c3ccccc3)C2)cc1OC ZINC001236757091 1313523071 /nfs/dbraw/zinc/52/30/71/1313523071.db2.gz YUSLUCJEYWFBHS-KRWDZBQOSA-N 1 0 342.439 2.898 20 10 EFCDRO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001236757923 1313523128 /nfs/dbraw/zinc/52/31/28/1313523128.db2.gz QUJHKPREWKYNQY-CYBMUJFWSA-N 1 0 337.416 2.575 20 10 EFCDRO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC001236757490 1313523195 /nfs/dbraw/zinc/52/31/95/1313523195.db2.gz MAHLPVMRFVJSDY-YEWDVWPNSA-N 1 0 349.427 2.573 20 10 EFCDRO C[C@H]1CC[N@H+](Cc2cc(O)c(Br)cc2O)CC[C@]1(C)O ZINC001236764403 1313524421 /nfs/dbraw/zinc/52/44/21/1313524421.db2.gz FJUQWEDDMNGIDB-BONVTDFDSA-N 1 0 344.249 2.843 20 10 EFCDRO Oc1cc(C[N@@H+]2CCC[C@@](O)(CF)CC2)c(O)cc1Br ZINC001236766990 1313525375 /nfs/dbraw/zinc/52/53/75/1313525375.db2.gz KHFGLICWLZWJFZ-AWEZNQCLSA-N 1 0 348.212 2.547 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC3(CCC(=O)N3C)CC2)c(Cl)c1 ZINC001236806144 1313533466 /nfs/dbraw/zinc/53/34/66/1313533466.db2.gz NRLXASZVYRXOQJ-UHFFFAOYSA-N 1 0 338.835 2.641 20 10 EFCDRO CC[NH+](CC)CCN(C)Cc1cc(O)c(Br)cc1O ZINC001236772990 1313525831 /nfs/dbraw/zinc/52/58/31/1313525831.db2.gz MHHHRHNZGUNSGY-UHFFFAOYSA-N 1 0 331.254 2.634 20 10 EFCDRO Oc1cc(CN2CC([NH+]3CCCCC3)C2)c(O)cc1Br ZINC001236771377 1313526230 /nfs/dbraw/zinc/52/62/30/1313526230.db2.gz PYMCCSOOTUYYBS-UHFFFAOYSA-N 1 0 341.249 2.530 20 10 EFCDRO CC[N@H+](CCn1cccn1)Cc1cc(O)c(Br)cc1O ZINC001236772376 1313526257 /nfs/dbraw/zinc/52/62/57/1313526257.db2.gz ZPUBGSGLZHSNEC-UHFFFAOYSA-N 1 0 340.221 2.579 20 10 EFCDRO C[N@@H+](Cc1cc(O)c(Br)cc1O)C[C@H]1CCCCO1 ZINC001236774618 1313526931 /nfs/dbraw/zinc/52/69/31/1313526931.db2.gz FYCTZYDZXUUNGW-LLVKDONJSA-N 1 0 330.222 2.861 20 10 EFCDRO Oc1ccc(OCc2ccccc2)cc1C[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001236778700 1313528010 /nfs/dbraw/zinc/52/80/10/1313528010.db2.gz LXASQCHHOLEHFM-IEBWSBKVSA-N 1 0 331.387 2.876 20 10 EFCDRO CCc1ccc(C[N@@H+]2CCc3ncnc(N(C)CC)c3CC2)c(O)c1 ZINC001236785147 1313528463 /nfs/dbraw/zinc/52/84/63/1313528463.db2.gz GBCMLRAOWDNZJJ-UHFFFAOYSA-N 1 0 340.471 2.802 20 10 EFCDRO CCc1ccc(C[NH+]2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)c(O)c1 ZINC001236787184 1313528855 /nfs/dbraw/zinc/52/88/55/1313528855.db2.gz JQXLJALQZNQKAC-IRXDYDNUSA-N 1 0 343.496 2.975 20 10 EFCDRO CCc1ccc(C[NH+]2CCC(Oc3nccc(OC)n3)CC2)c(O)c1 ZINC001236788776 1313529007 /nfs/dbraw/zinc/52/90/07/1313529007.db2.gz QHQSKKILRQODNT-UHFFFAOYSA-N 1 0 343.427 2.797 20 10 EFCDRO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001236787446 1313529558 /nfs/dbraw/zinc/52/95/58/1313529558.db2.gz YEQBJZDOPHSXBC-GOSISDBHSA-N 1 0 340.423 2.811 20 10 EFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2Cl)[C@@H]1C ZINC001236801133 1313530919 /nfs/dbraw/zinc/53/09/19/1313530919.db2.gz DFYPKSFMYZWSIL-PWSUYJOCSA-N 1 0 327.808 2.828 20 10 EFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2Cl)[C@@H]1C ZINC001236801138 1313531158 /nfs/dbraw/zinc/53/11/58/1313531158.db2.gz DFYPKSFMYZWSIL-ZYHUDNBSSA-N 1 0 327.808 2.828 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c(Cl)c1 ZINC001236804826 1313531210 /nfs/dbraw/zinc/53/12/10/1313531210.db2.gz BCEGQKXEVMROHN-MRXNPFEDSA-N 1 0 325.792 2.726 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(NC(=O)C(C)C)CC2)c(Cl)c1 ZINC001236799297 1313531579 /nfs/dbraw/zinc/53/15/79/1313531579.db2.gz MGGHCDDGYNRUSI-UHFFFAOYSA-N 1 0 340.851 2.791 20 10 EFCDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236803592 1313532382 /nfs/dbraw/zinc/53/23/82/1313532382.db2.gz PEDFUSHWHALKIE-QWRGUYRKSA-N 1 0 327.808 2.685 20 10 EFCDRO CCN(C(C)=O)C1CC[NH+](Cc2c(O)cc(OC)cc2Cl)CC1 ZINC001236805413 1313532534 /nfs/dbraw/zinc/53/25/34/1313532534.db2.gz FXKIMCUYDVMVRU-UHFFFAOYSA-N 1 0 340.851 2.887 20 10 EFCDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236804328 1313532599 /nfs/dbraw/zinc/53/25/99/1313532599.db2.gz TXURUIVHFWELLA-MNOVXSKESA-N 1 0 327.808 2.828 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)c(O)c1 ZINC001236808027 1313532936 /nfs/dbraw/zinc/53/29/36/1313532936.db2.gz KQNHTZGZBZLPFC-ABAIWWIYSA-N 1 0 333.350 2.844 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001236807721 1313533331 /nfs/dbraw/zinc/53/33/31/1313533331.db2.gz KEPNIJDMMQGUDT-OAHLLOKOSA-N 1 0 333.350 2.989 20 10 EFCDRO CCC[N@H+](Cc1c(C)cc(OC)cc1O)C1CCN(C(C)=O)CC1 ZINC001236810012 1313533970 /nfs/dbraw/zinc/53/39/70/1313533970.db2.gz AWYCPYPMCVUORE-UHFFFAOYSA-N 1 0 334.460 2.932 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c(O)c1 ZINC001236808676 1313534091 /nfs/dbraw/zinc/53/40/91/1313534091.db2.gz QWHVWKQPTODIPW-SJORKVTESA-N 1 0 338.407 2.877 20 10 EFCDRO CCOCc1ncn2c1C[N@H+](Cc1c(C)cc(OC)cc1O)CCC2 ZINC001236809186 1313534338 /nfs/dbraw/zinc/53/43/38/1313534338.db2.gz FMPWUEUSPXWPTO-UHFFFAOYSA-N 1 0 345.443 2.848 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)c(O)c1 ZINC001236809641 1313534500 /nfs/dbraw/zinc/53/45/00/1313534500.db2.gz ZDYKOWSGPNTXNH-ZIAGYGMSSA-N 1 0 333.350 2.844 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCC3(CCN(C(C)C)C3=O)CC2)c(O)c1 ZINC001236813002 1313534896 /nfs/dbraw/zinc/53/48/96/1313534896.db2.gz DPNLJPGNGNDVHY-UHFFFAOYSA-N 1 0 346.471 2.932 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c(O)c1 ZINC001236814025 1313535170 /nfs/dbraw/zinc/53/51/70/1313535170.db2.gz OCXIUFLLBRMKIM-UHFFFAOYSA-N 1 0 332.444 2.544 20 10 EFCDRO COC[C@@H]1COCCC12CC[NH+](Cc1c(C)cc(OC)cc1O)CC2 ZINC001236812156 1313535264 /nfs/dbraw/zinc/53/52/64/1313535264.db2.gz WUWOQUWGRDKTOE-MRXNPFEDSA-N 1 0 349.471 2.974 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCc3cnc(C4CC4)nc3C2)c(O)c1 ZINC001236812567 1313535278 /nfs/dbraw/zinc/53/52/78/1313535278.db2.gz BLRSPNMLYKSKQH-UHFFFAOYSA-N 1 0 325.412 2.935 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCC(N3CCCCC3=O)CC2)c(O)c1 ZINC001236817669 1313535651 /nfs/dbraw/zinc/53/56/51/1313535651.db2.gz FSNAIHSPEADZFH-UHFFFAOYSA-N 1 0 332.444 2.686 20 10 EFCDRO COC(=O)CC[N@H+](Cc1ccco1)Cc1c(C)cc(OC)cc1O ZINC001236814937 1313535669 /nfs/dbraw/zinc/53/56/69/1313535669.db2.gz XRQWFNKOMBNKDF-UHFFFAOYSA-N 1 0 333.384 2.868 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](Oc3cccc(OC)n3)C2)c(O)c1 ZINC001236815775 1313535679 /nfs/dbraw/zinc/53/56/79/1313535679.db2.gz ORVBJVOJFVAUFY-AWEZNQCLSA-N 1 0 344.411 2.766 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001236814530 1313535898 /nfs/dbraw/zinc/53/58/98/1313535898.db2.gz UBJVEUREJZZVEC-XLIONFOSSA-N 1 0 347.455 2.869 20 10 EFCDRO CCN1CC2(CC1=O)CC[NH+](Cc1c(C)cc(OC)cc1O)CC2 ZINC001236815048 1313536191 /nfs/dbraw/zinc/53/61/91/1313536191.db2.gz HDRIGIBSHMVCPG-UHFFFAOYSA-N 1 0 332.444 2.544 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCN(c3cccc(C)n3)CC2)c(O)c1 ZINC001236818641 1313536866 /nfs/dbraw/zinc/53/68/66/1313536866.db2.gz PXTXMGTZJRNBJP-UHFFFAOYSA-N 1 0 327.428 2.735 20 10 EFCDRO Oc1cc2ccccc2cc1C[NH+]1CCC(N2CCOCC2)CC1 ZINC001236841220 1313540415 /nfs/dbraw/zinc/54/04/15/1313540415.db2.gz WPZSYGQFPOXVBN-UHFFFAOYSA-N 1 0 326.440 2.842 20 10 EFCDRO Oc1cc2c(cc1C[N@H+](CCc1ccccc1)[C@@H]1CCOC1)OCO2 ZINC000084481747 1298791163 /nfs/dbraw/zinc/79/11/63/1298791163.db2.gz WXIJVVSVRIVXAP-QGZVFWFLSA-N 1 0 341.407 2.955 20 10 EFCDRO CC[N@H+](Cc1ccc(N2CCOCC2)cc1Cl)CC(C)(C)O ZINC001236918314 1313552286 /nfs/dbraw/zinc/55/22/86/1313552286.db2.gz FJXKPWUKNSDZGG-UHFFFAOYSA-N 1 0 326.868 2.769 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001236917843 1313552738 /nfs/dbraw/zinc/55/27/38/1313552738.db2.gz BMSRGBFNXHRISK-SFHVURJKSA-N 1 0 336.863 2.932 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CCC[C@@H]1O ZINC001236924002 1313554384 /nfs/dbraw/zinc/55/43/84/1313554384.db2.gz JHVOURLYHTWPBQ-KDOFPFPSSA-N 1 0 338.879 2.769 20 10 EFCDRO CN(Cc1cncnc1)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236930039 1313555556 /nfs/dbraw/zinc/55/55/56/1313555556.db2.gz LFMFHEQSGVTTAQ-UHFFFAOYSA-N 1 0 332.835 2.599 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN3CC4(C3)CC(F)(F)C4)c(F)c2)CC1 ZINC001236931211 1313556277 /nfs/dbraw/zinc/55/62/77/1313556277.db2.gz HJZGWYTYHHSTMR-UHFFFAOYSA-N 1 0 339.405 2.809 20 10 EFCDRO C[N@H+](CCc1ccncc1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236934167 1313556849 /nfs/dbraw/zinc/55/68/49/1313556849.db2.gz CIYFMHFOYSFRBU-UHFFFAOYSA-N 1 0 342.462 2.647 20 10 EFCDRO COC(=O)CC[N@H+](Cc1ccncc1)Cc1cc(C)c(C)cc1O ZINC000084925986 1298878049 /nfs/dbraw/zinc/87/80/49/1298878049.db2.gz ADDXRLPEKLRAPM-UHFFFAOYSA-N 1 0 328.412 2.969 20 10 EFCDRO CC1(C)C=Cc2c(O)c(CN3CC[NH2+]C[C@H]3C(F)(F)F)ccc2O1 ZINC001236982327 1313565732 /nfs/dbraw/zinc/56/57/32/1313565732.db2.gz QFEFSXQOIBDGFO-AWEZNQCLSA-N 1 0 342.361 2.913 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c(O)c1 ZINC001237039633 1313573086 /nfs/dbraw/zinc/57/30/86/1313573086.db2.gz BCDUSGWKFRNYHG-DFQSSKMNSA-N 1 0 347.455 2.949 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](Oc3cnccn3)C2)c(O)c1 ZINC001237046807 1313574855 /nfs/dbraw/zinc/57/48/55/1313574855.db2.gz GGEKWXZBAMCJDQ-INIZCTEOSA-N 1 0 329.400 2.624 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@H](Oc3ncc(C)cn3)C2)c(O)c1 ZINC001237047696 1313575078 /nfs/dbraw/zinc/57/50/78/1313575078.db2.gz NWDRWPVXIHJRPW-INIZCTEOSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3ocnc3C)C2)cc1C ZINC000961682507 1299011431 /nfs/dbraw/zinc/01/14/31/1299011431.db2.gz RKFGCHRCDXUTIG-UHFFFAOYSA-N 1 0 343.427 2.598 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(OC)cn3)C2)c(O)c1 ZINC001237048892 1313575750 /nfs/dbraw/zinc/57/57/50/1313575750.db2.gz ZNDVRYAKULGSJO-KRWDZBQOSA-N 1 0 344.411 2.848 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC(Oc3cc(C)ncn3)CC2)c(O)c1 ZINC001237048911 1313575898 /nfs/dbraw/zinc/57/58/98/1313575898.db2.gz ZUSYDQKCSASTEL-UHFFFAOYSA-N 1 0 343.427 2.933 20 10 EFCDRO CC(C)c1ccc(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)c(O)c1 ZINC001237048747 1313575971 /nfs/dbraw/zinc/57/59/71/1313575971.db2.gz OUFRFWRKKSNWNX-QZTJIDSGSA-N 1 0 338.455 2.874 20 10 EFCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237063809 1313580421 /nfs/dbraw/zinc/58/04/21/1313580421.db2.gz UVKSIRYYWRSSQF-OAHLLOKOSA-N 1 0 347.333 2.718 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC3(CCO3)CC2)c(Br)c1 ZINC001237073148 1313582048 /nfs/dbraw/zinc/58/20/48/1313582048.db2.gz OSNINJNNXWYBAP-UHFFFAOYSA-N 1 0 342.233 2.918 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3CCCCO3)C2)cc1C ZINC000961718042 1299051586 /nfs/dbraw/zinc/05/15/86/1299051586.db2.gz AXYFFGZQWYEMMS-TVPLGVNVSA-N 1 0 346.471 2.557 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3nccnc3C)C2)c(O)c1 ZINC001237048868 1313576360 /nfs/dbraw/zinc/57/63/60/1313576360.db2.gz YQWFIJZBTRATEL-MRXNPFEDSA-N 1 0 329.400 2.543 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC3(CCN(C(C)=O)C3)CC2)c(O)c1 ZINC001237050728 1313576445 /nfs/dbraw/zinc/57/64/45/1313576445.db2.gz WFFAFQAIFIVMSV-UHFFFAOYSA-N 1 0 332.444 2.625 20 10 EFCDRO CC(C)c1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c(O)c1 ZINC001237053527 1313576564 /nfs/dbraw/zinc/57/65/64/1313576564.db2.gz MDMBGCHVVJAJLF-UHFFFAOYSA-N 1 0 346.471 2.586 20 10 EFCDRO Cc1ccnc(N2CC[NH+](Cc3ccc(C(C)C)cc3O)CC2)n1 ZINC001237051183 1313576571 /nfs/dbraw/zinc/57/65/71/1313576571.db2.gz IGTNRVZTKRIYPO-UHFFFAOYSA-N 1 0 326.444 2.936 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001237052710 1313577051 /nfs/dbraw/zinc/57/70/51/1313577051.db2.gz BVQNLZYNOAOETK-STQMWFEESA-N 1 0 337.313 2.628 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[NH+]1CCC2(COC2)CC1 ZINC001237051529 1313577083 /nfs/dbraw/zinc/57/70/83/1313577083.db2.gz MREUEMYTOHZMQV-UHFFFAOYSA-N 1 0 331.334 2.946 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001237057257 1313577872 /nfs/dbraw/zinc/57/78/72/1313577872.db2.gz ALMKEAQUBPPWTQ-UPUJQMMVSA-N 1 0 343.345 2.943 20 10 EFCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237056787 1313578240 /nfs/dbraw/zinc/57/82/40/1313578240.db2.gz OLUJGHKCJOKFNT-LBPRGKRZSA-N 1 0 347.333 2.718 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1CN1CC([NH+]2CCCC2)C1 ZINC001237058343 1313578958 /nfs/dbraw/zinc/57/89/58/1313578958.db2.gz YJJFYGJGVXTXGZ-UHFFFAOYSA-N 1 0 330.350 2.613 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC001237061798 1313579093 /nfs/dbraw/zinc/57/90/93/1313579093.db2.gz KNDNLGUAMMNUDU-AWEZNQCLSA-N 1 0 331.334 2.944 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c(Br)c1 ZINC001237061392 1313579340 /nfs/dbraw/zinc/57/93/40/1313579340.db2.gz FVYBHHUBDRGOQG-YGRLFVJLSA-N 1 0 344.249 2.756 20 10 EFCDRO CN1CCC[C@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@H]21 ZINC001237062435 1313579410 /nfs/dbraw/zinc/57/94/10/1313579410.db2.gz NTZCJCNVEMGUFU-SWLSCSKDSA-N 1 0 344.377 2.859 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C)[C@H]2CO)c(Br)c1 ZINC001237061384 1313579514 /nfs/dbraw/zinc/57/95/14/1313579514.db2.gz FVYBHHUBDRGOQG-IINYFYTJSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@](C)(O)C2)c(Br)c1 ZINC001237062318 1313579566 /nfs/dbraw/zinc/57/95/66/1313579566.db2.gz LWZKLAQWOWWZEJ-HNNXBMFYSA-N 1 0 344.249 2.900 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)Cc3ccoc3)C2)cc1C ZINC000961754041 1299088796 /nfs/dbraw/zinc/08/87/96/1299088796.db2.gz FLANDZCCCVZEAQ-UHFFFAOYSA-N 1 0 342.439 2.824 20 10 EFCDRO Cc1cc(Br)cc(CN2CC(F)(F)C[C@H]2C[NH3+])c1O ZINC001237116886 1313589158 /nfs/dbraw/zinc/58/91/58/1313589158.db2.gz DUMFQDUJBLWZCP-NSHDSACASA-N 1 0 335.192 2.631 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCCC[C@@](O)(CF)C1 ZINC001237119342 1313589650 /nfs/dbraw/zinc/58/96/50/1313589650.db2.gz FLFOFYZXTBUDQK-CQSZACIVSA-N 1 0 337.313 2.977 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1CN1CC([NH+]2CCCCC2)C1 ZINC001237122676 1313590052 /nfs/dbraw/zinc/59/00/52/1313590052.db2.gz KEWCPWQPDXYYHP-UHFFFAOYSA-N 1 0 330.350 2.961 20 10 EFCDRO CC(=O)N1CCC([N@H+](C)Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237123883 1313590109 /nfs/dbraw/zinc/59/01/09/1313590109.db2.gz UJACUTCMDWEMLW-UHFFFAOYSA-N 1 0 346.349 2.734 20 10 EFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237121001 1313590720 /nfs/dbraw/zinc/59/07/20/1313590720.db2.gz SXFZCFKPPHGEBU-SNVBAGLBSA-N 1 0 333.306 2.676 20 10 EFCDRO O=C1CCCC2(CC[NH+](Cc3c(O)ccc(F)c3Cl)CC2)N1 ZINC001237121764 1313590923 /nfs/dbraw/zinc/59/09/23/1313590923.db2.gz PEBBBHQJQRAGMA-UHFFFAOYSA-N 1 0 326.799 2.819 20 10 EFCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3c(O)ccc(F)c3Cl)CC[C@H]21 ZINC001237129044 1313591921 /nfs/dbraw/zinc/59/19/21/1313591921.db2.gz UDZMPDRMLCBTAQ-GXFFZTMASA-N 1 0 326.799 2.627 20 10 EFCDRO COc1ccc(N2CC[NH+](CC3OC=CC3=S)CC2)c(OC)c1 ZINC001237187237 1313601636 /nfs/dbraw/zinc/60/16/36/1313601636.db2.gz ZESAUDBNBJUZEN-UHFFFAOYSA-N 1 0 334.441 2.908 20 10 EFCDRO Fc1cc2c(cc1F)CN(Cc1ccc(N3CC[NH2+]CC3)cc1)CC2 ZINC001237191652 1313602551 /nfs/dbraw/zinc/60/25/51/1313602551.db2.gz POZCXZZVCAZZER-UHFFFAOYSA-N 1 0 343.421 2.933 20 10 EFCDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237204486 1313604928 /nfs/dbraw/zinc/60/49/28/1313604928.db2.gz CDEYPHSWXUGUFI-MRXNPFEDSA-N 1 0 336.501 2.686 20 10 EFCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H]1C ZINC001237208057 1313605981 /nfs/dbraw/zinc/60/59/81/1313605981.db2.gz XWIMQVSMDYQOKL-HZPDHXFCSA-N 1 0 336.501 2.542 20 10 EFCDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1O ZINC000109769843 1299338198 /nfs/dbraw/zinc/33/81/98/1299338198.db2.gz QJJHEVAPAFQQLE-UHFFFAOYSA-N 1 0 329.356 2.761 20 10 EFCDRO C[NH2+]CCN1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001237248358 1313611743 /nfs/dbraw/zinc/61/17/43/1313611743.db2.gz LBQWEHMSSYIEMW-UHFFFAOYSA-N 1 0 325.456 2.607 20 10 EFCDRO OCCC[NH+]1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001237250297 1313612683 /nfs/dbraw/zinc/61/26/83/1313612683.db2.gz USKXNXYEBHLNFF-UHFFFAOYSA-N 1 0 326.440 2.770 20 10 EFCDRO Oc1ccccc1C[N@H+](C[C@H](O)c1ccccn1)C[C@@H]1CCCO1 ZINC000851840627 1299427735 /nfs/dbraw/zinc/42/77/35/1299427735.db2.gz JABWRYFVICGVJH-LPHOPBHVSA-N 1 0 328.412 2.502 20 10 EFCDRO CC(C)[N@H+](C)C[C@@H](O)CN(Cc1ccco1)Cc1ccccc1O ZINC000851841517 1299429514 /nfs/dbraw/zinc/42/95/14/1299429514.db2.gz UZIFQINUBIKFGO-QGZVFWFLSA-N 1 0 332.444 2.689 20 10 EFCDRO C[C@@H]([NH2+]CC[C@H]1COC(C)(C)O1)c1ccc(N2CCOCC2)cc1 ZINC000851897860 1299455618 /nfs/dbraw/zinc/45/56/18/1299455618.db2.gz RSQOSOGRKLPZNZ-QAPCUYQASA-N 1 0 334.460 2.715 20 10 EFCDRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000851988457 1299493704 /nfs/dbraw/zinc/49/37/04/1299493704.db2.gz YQNUYLYLYULPJY-KRWDZBQOSA-N 1 0 330.476 2.570 20 10 EFCDRO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2cccc(C)c2O)c1 ZINC001237450370 1313646822 /nfs/dbraw/zinc/64/68/22/1313646822.db2.gz CTNREZKQEUHUKE-SFHVURJKSA-N 1 0 340.423 2.634 20 10 EFCDRO COC(=O)c1c(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)c2ccccc2n1C ZINC001237418130 1313642283 /nfs/dbraw/zinc/64/22/83/1313642283.db2.gz VXJLRTFBAWQORS-YOEHRIQHSA-N 1 0 341.455 2.539 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC[C@H]2CC2(Cl)Cl)cc1 ZINC000852791214 1299888669 /nfs/dbraw/zinc/88/86/69/1299888669.db2.gz DSALLECWUNDZGR-JSGCOSHPSA-N 1 0 344.286 2.843 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCc2cccnc2Cl)cc1 ZINC000852792448 1299889848 /nfs/dbraw/zinc/88/98/48/1299889848.db2.gz WKRSXTIQWXKABI-MRXNPFEDSA-N 1 0 346.862 2.550 20 10 EFCDRO CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000852794797 1299890442 /nfs/dbraw/zinc/89/04/42/1299890442.db2.gz BXXMEJCPQHRDMG-IRXDYDNUSA-N 1 0 347.503 2.712 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001237486847 1313654771 /nfs/dbraw/zinc/65/47/71/1313654771.db2.gz UYJQHOQUNOBKIC-PXNSSMCTSA-N 1 0 340.423 2.908 20 10 EFCDRO Cc1cccc(O)c1C[N@H+]1CCc2c(c(COCC3CC3)nn2C)C1 ZINC001237488566 1313654816 /nfs/dbraw/zinc/65/48/16/1313654816.db2.gz OAFQGNLBBMRIPF-UHFFFAOYSA-N 1 0 341.455 2.919 20 10 EFCDRO Cc1cccc(O)c1C[NH+]1C[C@H]2CN(C(=O)c3ccccc3)C[C@@H]2C1 ZINC001237486853 1313655240 /nfs/dbraw/zinc/65/52/40/1313655240.db2.gz UYKHHFRHXVUPHF-ROUUACIJSA-N 1 0 336.435 2.905 20 10 EFCDRO Cc1cccc(O)c1CN1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001237486794 1313655300 /nfs/dbraw/zinc/65/53/00/1313655300.db2.gz UKWUXDXAODTQOF-UHFFFAOYSA-N 1 0 326.444 2.509 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1 ZINC001237488928 1313655333 /nfs/dbraw/zinc/65/53/33/1313655333.db2.gz SJXWUNBQWCWILL-GHTZIAJQSA-N 1 0 336.435 2.806 20 10 EFCDRO COc1cc(C)nc(OC2CC[NH+](Cc3c(C)cccc3O)CC2)n1 ZINC001237495547 1313655845 /nfs/dbraw/zinc/65/58/45/1313655845.db2.gz RVRJUBAELSPHDZ-UHFFFAOYSA-N 1 0 343.427 2.851 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](Oc2ccc(C(N)=O)cc2)C1 ZINC001237494932 1313655981 /nfs/dbraw/zinc/65/59/81/1313655981.db2.gz NCFARMVBLVYYCI-KRWDZBQOSA-N 1 0 340.423 2.843 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001237489489 1313656010 /nfs/dbraw/zinc/65/60/10/1313656010.db2.gz YMFZNPCOUHYUEM-JXFKEZNVSA-N 1 0 340.423 2.908 20 10 EFCDRO CN(CCCOc1ccccc1)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235401 1300079238 /nfs/dbraw/zinc/07/92/38/1300079238.db2.gz YUJYZUQZKXWIPN-UHFFFAOYSA-N 1 0 342.439 2.752 20 10 EFCDRO C[N@H+](CC(=O)NCCCOC1CCCCC1)Cc1ccccc1O ZINC000111235048 1300079788 /nfs/dbraw/zinc/07/97/88/1300079788.db2.gz LPZRFSHJRWANSN-UHFFFAOYSA-N 1 0 334.460 2.680 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000853540238 1300155409 /nfs/dbraw/zinc/15/54/09/1300155409.db2.gz GMVKBKRHRDQCJZ-AWEZNQCLSA-N 1 0 348.443 2.725 20 10 EFCDRO Cc1cc(C[NH+]2CCN([C@H]3CCOC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000853551089 1300161910 /nfs/dbraw/zinc/16/19/10/1300161910.db2.gz SLFYKADXNNTHMM-KRWDZBQOSA-N 1 0 332.488 2.905 20 10 EFCDRO Cc1cc(C[NH+]2CCN([C@@H]3CCOC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000853551090 1300162139 /nfs/dbraw/zinc/16/21/39/1300162139.db2.gz SLFYKADXNNTHMM-QGZVFWFLSA-N 1 0 332.488 2.905 20 10 EFCDRO Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001237617365 1313678118 /nfs/dbraw/zinc/67/81/18/1313678118.db2.gz ZLPITGHONCAEGS-UHFFFAOYSA-N 1 0 326.462 2.565 20 10 EFCDRO COc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000853736718 1300251494 /nfs/dbraw/zinc/25/14/94/1300251494.db2.gz LJRNIOQUQWOGOW-OAHLLOKOSA-N 1 0 347.459 2.607 20 10 EFCDRO C[C@]1(CO)C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC[C@H]1O ZINC001237640695 1313682856 /nfs/dbraw/zinc/68/28/56/1313682856.db2.gz DYUIQRWWSSPFEJ-WOJBJXKFSA-N 1 0 345.414 2.764 20 10 EFCDRO CC(=O)N[C@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237645232 1313683905 /nfs/dbraw/zinc/68/39/05/1313683905.db2.gz AGJYUZSAWGUAPZ-SFHVURJKSA-N 1 0 328.387 2.909 20 10 EFCDRO COCCN1CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 ZINC001237644686 1313683987 /nfs/dbraw/zinc/68/39/87/1313683987.db2.gz HUAZEUGZWKISRF-UHFFFAOYSA-N 1 0 344.430 2.962 20 10 EFCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)cc(OC)c2O)[C@@H]1C ZINC001237677647 1313689791 /nfs/dbraw/zinc/68/97/91/1313689791.db2.gz GMGDVTYZRCRILX-DOMZBBRYSA-N 1 0 337.416 2.573 20 10 EFCDRO CCc1noc([C@@H]2CCC[N@H+](Cc3cc(OC)cc(OC)c3O)C2)n1 ZINC001237679416 1313689806 /nfs/dbraw/zinc/68/98/06/1313689806.db2.gz UXYULWKYGCVXQQ-GFCCVEGCSA-N 1 0 347.415 2.734 20 10 EFCDRO COc1cc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c(O)c(OC)c1 ZINC001237678987 1313689826 /nfs/dbraw/zinc/68/98/26/1313689826.db2.gz RZPBERGKUABIJN-UHFFFAOYSA-N 1 0 331.368 2.770 20 10 EFCDRO Cc1cc(O)c(CN2CCC[C@H]2C[NH+](C)C)cc1Br ZINC001237679526 1313690345 /nfs/dbraw/zinc/69/03/45/1313690345.db2.gz QHYOTBFQINJPIC-ZDUSSCGKSA-N 1 0 327.266 2.989 20 10 EFCDRO CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237681915 1313690466 /nfs/dbraw/zinc/69/04/66/1313690466.db2.gz UPUDDVOLNITUSQ-SFHVURJKSA-N 1 0 337.416 2.575 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H](Oc3cccc(C)n3)C2)c(O)c(OC)c1 ZINC001237686395 1313691438 /nfs/dbraw/zinc/69/14/38/1313691438.db2.gz YSCSPPKOAUEKKQ-HNNXBMFYSA-N 1 0 344.411 2.766 20 10 EFCDRO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c1O ZINC001237685423 1313691539 /nfs/dbraw/zinc/69/15/39/1313691539.db2.gz COHXVBUJUZVUHW-GVDBMIGSSA-N 1 0 337.847 2.980 20 10 EFCDRO CC[NH+]1C[C@@H]2CN(Cc3cc(Br)c(C)cc3O)C[C@H]2C1 ZINC001237684430 1313691932 /nfs/dbraw/zinc/69/19/32/1313691932.db2.gz KMEXQMYIFFSVTP-ZIAGYGMSSA-N 1 0 339.277 2.847 20 10 EFCDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3cc(Cl)cc(C)c3O)C2)n1 ZINC001237690666 1313692195 /nfs/dbraw/zinc/69/21/95/1313692195.db2.gz RDFHQKMXBYVUIK-AWEZNQCLSA-N 1 0 349.818 2.806 20 10 EFCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)c1O ZINC001237687479 1313692426 /nfs/dbraw/zinc/69/24/26/1313692426.db2.gz DHPVSWFYUKQYBM-CQSZACIVSA-N 1 0 337.782 2.936 20 10 EFCDRO COc1cc(C[N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)c(O)c(OC)c1 ZINC001237668380 1313688441 /nfs/dbraw/zinc/68/84/41/1313688441.db2.gz DFJUJFXVZLVBAD-HNNXBMFYSA-N 1 0 349.349 2.689 20 10 EFCDRO COc1cc(C[NH+]2CCC(Oc3cccnc3)CC2)c(O)c(OC)c1 ZINC001237676982 1313688912 /nfs/dbraw/zinc/68/89/12/1313688912.db2.gz VMTRCCMBFPJQMC-UHFFFAOYSA-N 1 0 344.411 2.848 20 10 EFCDRO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237670695 1313689061 /nfs/dbraw/zinc/68/90/61/1313689061.db2.gz VXXTYFNVCSWJJS-ZDUSSCGKSA-N 1 0 337.416 2.575 20 10 EFCDRO C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3cccc(F)c3[O-])(C1)CCC2 ZINC001276538062 1313706007 /nfs/dbraw/zinc/70/60/07/1313706007.db2.gz RRZGGCQBOFNRKR-RBUKOAKNSA-N 1 0 335.467 2.618 20 10 EFCDRO CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3cccc(F)c3[O-])CC2)C1 ZINC001276538586 1313706861 /nfs/dbraw/zinc/70/68/61/1313706861.db2.gz WOSKADJBIIJYKT-UHFFFAOYSA-N 1 0 349.494 2.771 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@@H]([C@@H]4CCCO4)C3)c2c1 ZINC000089125581 1300704860 /nfs/dbraw/zinc/70/48/60/1300704860.db2.gz KQWNCARJHMPOEV-VQTJNVASSA-N 1 0 343.423 2.934 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000089592567 1300836534 /nfs/dbraw/zinc/83/65/34/1300836534.db2.gz AMQDASATXYAURZ-SJORKVTESA-N 1 0 345.487 2.575 20 10 EFCDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000776806849 1300914050 /nfs/dbraw/zinc/91/40/50/1300914050.db2.gz GGSLGMXMIUAKPN-PBHICJAKSA-N 1 0 332.444 2.968 20 10 EFCDRO O=C(NCC[NH2+]Cc1ccccc1O)c1cccc(Br)c1 ZINC000113354596 1300962464 /nfs/dbraw/zinc/96/24/64/1300962464.db2.gz YYGVBXDJXGGVCG-UHFFFAOYSA-N 1 0 349.228 2.674 20 10 EFCDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000776813041 1300969325 /nfs/dbraw/zinc/96/93/25/1300969325.db2.gz RMQPHSJDYIGNMG-WOJBJXKFSA-N 1 0 348.487 2.587 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C[C@H](C)OC)C2)cc1C ZINC001207652265 1313741676 /nfs/dbraw/zinc/74/16/76/1313741676.db2.gz ZDBIFYKVKXNBPV-RDJZCZTQSA-N 1 0 334.460 2.509 20 10 EFCDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000776866762 1301203906 /nfs/dbraw/zinc/20/39/06/1301203906.db2.gz IVBWBNVSDXQTQY-SGIREYDYSA-N 1 0 329.824 2.517 20 10 EFCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000776869660 1301204648 /nfs/dbraw/zinc/20/46/48/1301204648.db2.gz XPEJSOUYKFNXIO-ADLFWFRXSA-N 1 0 349.471 2.742 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)c1O ZINC001238060572 1313753361 /nfs/dbraw/zinc/75/33/61/1313753361.db2.gz JIIUSSWALPHNBT-HKUYNNGSSA-N 1 0 335.419 3.000 20 10 EFCDRO Cc1cc(F)cc(C[NH+]2C[C@@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c1O ZINC001238061691 1313753394 /nfs/dbraw/zinc/75/33/94/1313753394.db2.gz QPSJYSHGFZZIID-HUUCEWRRSA-N 1 0 344.386 2.637 20 10 EFCDRO CCN(C)c1ncnc2c1CC[N@H+](Cc1cc(F)cc(C)c1O)CC2 ZINC001238060887 1313753586 /nfs/dbraw/zinc/75/35/86/1313753586.db2.gz KELWRNFFTFUTQR-UHFFFAOYSA-N 1 0 344.434 2.687 20 10 EFCDRO COc1ccnc(N2CC[NH+](Cc3cc(F)cc(C)c3O)CC2)c1 ZINC001238065778 1313754223 /nfs/dbraw/zinc/75/42/23/1313754223.db2.gz FGCMDAJIPJORNU-UHFFFAOYSA-N 1 0 331.391 2.566 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c1O ZINC001238065692 1313754546 /nfs/dbraw/zinc/75/45/46/1313754546.db2.gz YQPJLJXITZLZIV-FICVDOATSA-N 1 0 336.407 2.795 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)c1O ZINC001238070064 1313755596 /nfs/dbraw/zinc/75/55/96/1313755596.db2.gz MLBZAIFWOXIAPK-UHFFFAOYSA-N 1 0 332.375 2.781 20 10 EFCDRO CCCCOCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207734858 1313761324 /nfs/dbraw/zinc/76/13/24/1313761324.db2.gz PPUFBZNHCSYCEJ-SFHVURJKSA-N 1 0 348.487 2.901 20 10 EFCDRO CNC(=O)C1([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CCCC1 ZINC000825555921 1301625737 /nfs/dbraw/zinc/62/57/37/1301625737.db2.gz LZJIFZDTEAEGKS-UHFFFAOYSA-N 1 0 334.460 2.847 20 10 EFCDRO CN1CCO[C@@]2(CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC001276551076 1313808437 /nfs/dbraw/zinc/80/84/37/1313808437.db2.gz AGWSIYNZKQMBKO-NRFANRHFSA-N 1 0 343.515 2.974 20 10 EFCDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(OC)ccc2O)C1 ZINC000777223097 1302252392 /nfs/dbraw/zinc/25/23/92/1302252392.db2.gz RRPBJMQKQFHBSO-KGLIPLIRSA-N 1 0 336.432 2.747 20 10 EFCDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(OC)ccc2O)C1 ZINC000777223099 1302252581 /nfs/dbraw/zinc/25/25/81/1302252581.db2.gz RRPBJMQKQFHBSO-UONOGXRCSA-N 1 0 336.432 2.747 20 10 EFCDRO CCOCCOCC[N@H+](C)Cc1c(O)cccc1Br ZINC000862338480 1302336424 /nfs/dbraw/zinc/33/64/24/1302336424.db2.gz QGOPLYCTPFVDJR-UHFFFAOYSA-N 1 0 332.238 2.640 20 10 EFCDRO CN(C)c1cc(F)c(C[N@H+](C)C(C)(C)CN2CCOCC2)cc1F ZINC000862395254 1302368788 /nfs/dbraw/zinc/36/87/88/1302368788.db2.gz YEYBBFMDOWQOQG-UHFFFAOYSA-N 1 0 341.446 2.573 20 10 EFCDRO COC(=O)[C@H]1C[N@H+](Cc2cccc(OC)c2O)Cc2ccccc21 ZINC000862536540 1302407567 /nfs/dbraw/zinc/40/75/67/1302407567.db2.gz JQIVZUZYWZUKKJ-INIZCTEOSA-N 1 0 327.380 2.673 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)Cc2ccccc21 ZINC000863334335 1302589014 /nfs/dbraw/zinc/58/90/14/1302589014.db2.gz ZRKYNWIAXBBUJO-QGZVFWFLSA-N 1 0 341.407 2.982 20 10 EFCDRO COCCOc1ccc(N2CC[NH+](CC[C@@H](C)SC)CC2)cc1 ZINC001208154283 1313857519 /nfs/dbraw/zinc/85/75/19/1313857519.db2.gz MDNHIIZMMKQQII-MRXNPFEDSA-N 1 0 338.517 2.975 20 10 EFCDRO CCn1cc(CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000794561072 1302735839 /nfs/dbraw/zinc/73/58/39/1302735839.db2.gz DPSSVPBISVRQCS-INIZCTEOSA-N 1 0 328.460 2.633 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@]4(CCO[C@H]4C)C3)c2c1 ZINC000794661420 1302883755 /nfs/dbraw/zinc/88/37/55/1302883755.db2.gz HLIYIRWIEFIXCC-VBKZILBWSA-N 1 0 343.423 2.934 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@H](C)O[C@]4(CCOC4)C3)c2c1 ZINC000794707373 1303016777 /nfs/dbraw/zinc/01/67/77/1303016777.db2.gz RNTVDFLFBVPERI-VBKZILBWSA-N 1 0 343.423 2.934 20 10 EFCDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000794798912 1303079266 /nfs/dbraw/zinc/07/92/66/1303079266.db2.gz ZJGDPYMJDKCGDN-KRWDZBQOSA-N 1 0 344.434 2.563 20 10 EFCDRO C[C@H]1CN(c2ccc(C[NH2+]Cc3ccc(=O)[nH]c3)cc2F)C[C@H](C)O1 ZINC000865418363 1303246799 /nfs/dbraw/zinc/24/67/99/1303246799.db2.gz ILIKIENEYUBYIF-KBPBESRZSA-N 1 0 345.418 2.830 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@H](O)C(F)(F)F)CC2)cc1 ZINC000865712449 1303374581 /nfs/dbraw/zinc/37/45/81/1303374581.db2.gz YAIHNDJFHGZFKX-ABAIWWIYSA-N 1 0 332.366 2.565 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)c(O)c(C(C)(C)C)c1 ZINC000825568124 1303400404 /nfs/dbraw/zinc/40/04/04/1303400404.db2.gz SAUYXWDEXOXONY-MLGOLLRUSA-N 1 0 334.460 2.784 20 10 EFCDRO C[C@@H](NC(=O)NCc1ccc(N2CC[NH2+]CC2)cc1)C1CCCCC1 ZINC001239223244 1313915780 /nfs/dbraw/zinc/91/57/80/1313915780.db2.gz NQRMRGBKMGSGMQ-MRXNPFEDSA-N 1 0 344.503 2.864 20 10 EFCDRO Cc1ccc(NC(=O)NCc2ccc(N3CC[NH2+]CC3)cc2)cc1F ZINC001239222333 1313915997 /nfs/dbraw/zinc/91/59/97/1313915997.db2.gz DXPRJESXLBOFCQ-UHFFFAOYSA-N 1 0 342.418 2.865 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3scnc3C)C2)cc1C ZINC001018561139 1313943274 /nfs/dbraw/zinc/94/32/74/1313943274.db2.gz WQFUNEAEXSPJRW-HNNXBMFYSA-N 1 0 345.468 2.773 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)c1O ZINC000796496610 1304002040 /nfs/dbraw/zinc/00/20/40/1304002040.db2.gz BLKFQRBFFJZEQS-QWRGUYRKSA-N 1 0 344.249 2.926 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+](CC2CC2)CC2CC2)cc1 ZINC000121947867 1304045372 /nfs/dbraw/zinc/04/53/72/1304045372.db2.gz SBCPHYRNEHWVFF-UHFFFAOYSA-N 1 0 329.488 2.833 20 10 EFCDRO COC(=O)Nc1cccc(C[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000796499018 1304102442 /nfs/dbraw/zinc/10/24/42/1304102442.db2.gz JBIWWHDQYYPMGZ-UHFFFAOYSA-N 1 0 330.340 2.589 20 10 EFCDRO C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccccc1O ZINC000868166870 1304166396 /nfs/dbraw/zinc/16/63/96/1304166396.db2.gz IBSMCGKZXCOMQS-LBPRGKRZSA-N 1 0 327.384 2.757 20 10 EFCDRO O=C1c2ccccc2C(=O)N1CCC[NH2+]Cc1c(O)cccc1Cl ZINC000796499350 1304256657 /nfs/dbraw/zinc/25/66/57/1304256657.db2.gz LBRJUGSARIRMNE-UHFFFAOYSA-N 1 0 344.798 2.822 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[C@@H]3CCCCO3)C2)cc1C ZINC001018703346 1314009580 /nfs/dbraw/zinc/00/95/80/1314009580.db2.gz TZODIPQYHPPDIG-ROUUACIJSA-N 1 0 346.471 2.653 20 10 EFCDRO COc1ccc(N2CC[NH+](Cc3ccc(OC(C)=O)cc3)CC2)cc1 ZINC000122604747 1304809658 /nfs/dbraw/zinc/80/96/58/1304809658.db2.gz ZUEWGAKKZLNQKM-UHFFFAOYSA-N 1 0 340.423 2.943 20 10 EFCDRO CCOc1ccc(C[NH2+]CCn2cc(Br)cn2)c(O)c1 ZINC000796514263 1304898641 /nfs/dbraw/zinc/89/86/41/1304898641.db2.gz XFGNRLFTKAPYOB-UHFFFAOYSA-N 1 0 340.221 2.540 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1=CC(=O)CS1 ZINC000869801336 1304976701 /nfs/dbraw/zinc/97/67/01/1304976701.db2.gz HKSJYCZHYAUFGS-UKRRQHHQSA-N 1 0 330.453 2.952 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cnc(C)s3)C2)cc1C ZINC000967582179 1305198488 /nfs/dbraw/zinc/19/84/88/1305198488.db2.gz IGVZBERKQLIUDA-OAHLLOKOSA-N 1 0 345.468 2.773 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3coc(C)c3)C2)cc1C ZINC001018765221 1314038735 /nfs/dbraw/zinc/03/87/35/1314038735.db2.gz NNSBWIVFNCVCRT-KRWDZBQOSA-N 1 0 328.412 2.909 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccncc3C)C2)cc1C ZINC001018819217 1314059655 /nfs/dbraw/zinc/05/96/55/1314059655.db2.gz QFMRVHINCHMKKH-KRWDZBQOSA-N 1 0 339.439 2.711 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3(C(F)F)CC3)C2)cc1C ZINC001018843524 1314067247 /nfs/dbraw/zinc/06/72/47/1314067247.db2.gz OOFLNOBJOUXCFL-AWEZNQCLSA-N 1 0 338.398 2.739 20 10 EFCDRO Oc1cc(O)c(CN2CC3(C2)CC[N@H+](Cc2ccc[nH]2)C3)cc1Cl ZINC001276616651 1314092363 /nfs/dbraw/zinc/09/23/63/1314092363.db2.gz GWRSTKFQMCXPLY-UHFFFAOYSA-N 1 0 347.846 2.787 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CC(F)(F)C3)C2)cc1C ZINC000968374687 1306212292 /nfs/dbraw/zinc/21/22/92/1306212292.db2.gz ZROJWCBOYFVZCV-OAHLLOKOSA-N 1 0 338.398 2.739 20 10 EFCDRO CC[C@H](SC)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000968416324 1306286906 /nfs/dbraw/zinc/28/69/06/1306286906.db2.gz XOJREIZTJZBAJI-WBVHZDCISA-N 1 0 336.501 2.836 20 10 EFCDRO CCC[N@H+](C)Cc1cc(I)c(OC)cc1O ZINC001248459456 1314937306 /nfs/dbraw/zinc/93/73/06/1314937306.db2.gz VJLWBRVTUABQTD-UHFFFAOYSA-N 1 0 335.185 2.847 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cn[nH]c3)[C@@H](C)C2)cc1C ZINC001044468919 1306537496 /nfs/dbraw/zinc/53/74/96/1306537496.db2.gz AFDKJMZEQKSCTN-WMLDXEAASA-N 1 0 342.443 2.510 20 10 EFCDRO C[C@H]1CC[N@H+](CC2CC2)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000968684317 1306565410 /nfs/dbraw/zinc/56/54/10/1306565410.db2.gz AAILLIHUACAPGF-LRDDRELGSA-N 1 0 343.431 2.699 20 10 EFCDRO CC(C)[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968685128 1306567090 /nfs/dbraw/zinc/56/70/90/1306567090.db2.gz NMHMOSMMLQWERX-DOMZBBRYSA-N 1 0 331.420 2.698 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cocn3)[C@H](C)C2)cc1C ZINC001044508786 1306571991 /nfs/dbraw/zinc/57/19/91/1306571991.db2.gz ODNYZZPLINGFGU-ZBFHGGJFSA-N 1 0 343.427 2.775 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC(C)(C)O)[C@H](C)C2)cc1C ZINC001044580902 1306632222 /nfs/dbraw/zinc/63/22/22/1306632222.db2.gz QSMDNMRYYWFYHJ-WBVHZDCISA-N 1 0 348.487 2.634 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ncc[nH]3)[C@H](C)C2)cc1C ZINC001044589987 1306641220 /nfs/dbraw/zinc/64/12/20/1306641220.db2.gz UUFOZXLOBJMYLO-ZBFHGGJFSA-N 1 0 342.443 2.510 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cnco3)[C@H](C)C2)cc1C ZINC001044697902 1306727401 /nfs/dbraw/zinc/72/74/01/1306727401.db2.gz OIVZKTRVXVRTGV-GDBMZVCRSA-N 1 0 343.427 2.775 20 10 EFCDRO Cc1cc(C[N@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c(O)cc1Br ZINC001250134311 1315177499 /nfs/dbraw/zinc/17/74/99/1315177499.db2.gz ZFMVIUCNYNFJKU-IXPVHAAZSA-N 1 0 326.234 2.930 20 10 EFCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(C)c(Br)cc2O)C1 ZINC001250135440 1315177683 /nfs/dbraw/zinc/17/76/83/1315177683.db2.gz AFRQKYBYBUCZNH-HNNXBMFYSA-N 1 0 342.233 2.848 20 10 EFCDRO O=c1cc(-c2cnn(C3CC[NH2+]CC3)c2)ccn1Cc1ccccc1 ZINC001241777286 1314148981 /nfs/dbraw/zinc/14/89/81/1314148981.db2.gz CMOUAIAFNCHOBW-UHFFFAOYSA-N 1 0 334.423 2.685 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3[nH]c(C)cc3C)C2)cc1C ZINC001019047732 1314150176 /nfs/dbraw/zinc/15/01/76/1314150176.db2.gz MFCORQMLXWGUIT-KRWDZBQOSA-N 1 0 341.455 2.953 20 10 EFCDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c(C)n1-c1ccccn1 ZINC000748843792 1314152554 /nfs/dbraw/zinc/15/25/54/1314152554.db2.gz HOSRDDYOICRFPV-QGZVFWFLSA-N 1 0 340.471 2.949 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C2CCOCC2)cc1C ZINC001044895918 1306904360 /nfs/dbraw/zinc/90/43/60/1306904360.db2.gz PVXJZSWZVYUNFZ-SFHVURJKSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2ccncc2)cc1C ZINC001044900144 1306908999 /nfs/dbraw/zinc/90/89/99/1306908999.db2.gz DNSXCACUOKGCOC-SFHVURJKSA-N 1 0 339.439 2.793 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C(=O)C(C)(C)C)cc1C ZINC001044960240 1306956026 /nfs/dbraw/zinc/95/60/26/1306956026.db2.gz BCZVSGNSCCWECV-INIZCTEOSA-N 1 0 346.471 2.699 20 10 EFCDRO COCCOc1ccc(N2CC[NH+](CCC(C)(C)OC)CC2)cc1 ZINC001209410966 1314158221 /nfs/dbraw/zinc/15/82/21/1314158221.db2.gz YNUPNKQKDZRCNX-UHFFFAOYSA-N 1 0 336.476 2.649 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCCCO2)cc1C ZINC001044996461 1306984421 /nfs/dbraw/zinc/98/44/21/1306984421.db2.gz GNAVOCPARHEKDV-HKUYNNGSSA-N 1 0 346.471 2.653 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](OC)C2CC2)cc1C ZINC001045019085 1306998051 /nfs/dbraw/zinc/99/80/51/1306998051.db2.gz FVJGVNWRONSUCP-PKOBYXMFSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cc(F)c[nH]2)cc1C ZINC001045122862 1307069404 /nfs/dbraw/zinc/06/94/04/1307069404.db2.gz JGWQFFIAJBLGAH-INIZCTEOSA-N 1 0 345.418 2.865 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)cc1 ZINC001209516820 1314178844 /nfs/dbraw/zinc/17/88/44/1314178844.db2.gz PRKWZUZFUPTNKL-VQTJNVASSA-N 1 0 328.456 2.659 20 10 EFCDRO CC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CC[NH+](CCCF)CC1 ZINC001045650826 1307502990 /nfs/dbraw/zinc/50/29/90/1307502990.db2.gz PFPDAKALSXRMBR-UHFFFAOYSA-N 1 0 349.410 2.793 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)C(C)(F)F)C2)cc1C ZINC001019397223 1314313110 /nfs/dbraw/zinc/31/31/10/1314313110.db2.gz OYRFKHKAMQWZKS-HIFRSBDPSA-N 1 0 340.414 2.985 20 10 EFCDRO C[C@]1(NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@H+](CCC2CC2)C1 ZINC001046862140 1309551657 /nfs/dbraw/zinc/55/16/57/1309551657.db2.gz GGRZELGNZHIHRG-SFHVURJKSA-N 1 0 343.431 2.843 20 10 EFCDRO CC[C@@H](F)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046868948 1309573499 /nfs/dbraw/zinc/57/34/99/1309573499.db2.gz JITCXHLTRQGJHP-CXAGYDPISA-N 1 0 349.410 2.791 20 10 EFCDRO Oc1ccc(OCc2ccccc2)cc1CN1CC[NH2+]C[C@H](F)C1 ZINC001210610251 1314359700 /nfs/dbraw/zinc/35/97/00/1314359700.db2.gz LJOVZIJIQNPYNB-KRWDZBQOSA-N 1 0 330.403 2.715 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ncccc3F)C2)cc1C ZINC001019562233 1314384944 /nfs/dbraw/zinc/38/49/44/1314384944.db2.gz RKZYSCNKBNWMMK-HNNXBMFYSA-N 1 0 343.402 2.542 20 10 EFCDRO CCCC[N@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cc1ccccc1O ZINC000801597079 1310575545 /nfs/dbraw/zinc/57/55/45/1310575545.db2.gz AEJILUWVSKHQPF-HZPDHXFCSA-N 1 0 334.460 2.630 20 10 EFCDRO CCCCNC(=O)NC(=O)C[N@H+](CCCC)Cc1ccccc1O ZINC000801597085 1310576254 /nfs/dbraw/zinc/57/62/54/1310576254.db2.gz AHHVIXJBGLZQCZ-UHFFFAOYSA-N 1 0 335.448 2.620 20 10 EFCDRO Cc1ccc(O)c(C[NH2+][C@H](C)CCNS(=O)(=O)c2ccccc2)c1 ZINC000801735702 1310825589 /nfs/dbraw/zinc/82/55/89/1310825589.db2.gz XUZALBJEVJLMIV-OAHLLOKOSA-N 1 0 348.468 2.547 20 10 EFCDRO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2cnc(OC)c(O)c2)n1C ZINC001244844368 1314418607 /nfs/dbraw/zinc/41/86/07/1314418607.db2.gz SYNYYHCHUWXQOD-UHFFFAOYSA-N 1 0 341.367 2.835 20 10 EFCDRO [O-]c1cc(Br)cc(F)c1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222148986 1311092086 /nfs/dbraw/zinc/09/20/86/1311092086.db2.gz TUJXLHSPNVCUJF-OAHLLOKOSA-N 1 0 343.240 2.869 20 10 EFCDRO CCOC(=O)c1c(CN2CC[C@]23CCC[NH2+]C3)c2ccccc2n1C ZINC001222197985 1311097944 /nfs/dbraw/zinc/09/79/44/1311097944.db2.gz ROEYHXJAFUPYJB-FQEVSTJZSA-N 1 0 341.455 2.683 20 10 EFCDRO COC(=O)c1c(CN2CCC[C@@]23CCC[NH2+]C3)c2ccccc2n1C ZINC001222247683 1311104844 /nfs/dbraw/zinc/10/48/44/1311104844.db2.gz IAYLDGGNQUOCSL-HXUWFJFHSA-N 1 0 341.455 2.683 20 10 EFCDRO Oc1ccc(Br)cc1CN1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222346729 1311117344 /nfs/dbraw/zinc/11/73/44/1311117344.db2.gz RXUFHQJBRKNFKJ-OAHLLOKOSA-N 1 0 325.250 2.873 20 10 EFCDRO C[NH+]1CC2(C1)CCCN(Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001276830064 1311129801 /nfs/dbraw/zinc/12/98/01/1311129801.db2.gz FNKVQCSEYYKJBM-UHFFFAOYSA-N 1 0 330.350 2.818 20 10 EFCDRO Cc1cc(CN2CC[C@@]3(CCC[NH2+]3)C2)c(O)cc1Br ZINC001222477616 1311138806 /nfs/dbraw/zinc/13/88/06/1311138806.db2.gz OCXFFHTZEBLJDY-HNNXBMFYSA-N 1 0 325.250 2.791 20 10 EFCDRO [O-]c1c(F)ccc(F)c1C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222601947 1311158235 /nfs/dbraw/zinc/15/82/35/1311158235.db2.gz DVVXKEFZVKBZTE-HNNXBMFYSA-N 1 0 330.378 2.859 20 10 EFCDRO [O-]c1c(F)ccc(F)c1C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222601948 1311158457 /nfs/dbraw/zinc/15/84/57/1311158457.db2.gz DVVXKEFZVKBZTE-OAHLLOKOSA-N 1 0 330.378 2.859 20 10 EFCDRO Oc1cc(F)c(F)cc1CN1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222608780 1311160029 /nfs/dbraw/zinc/16/00/29/1311160029.db2.gz FARPXNIBJGOUKK-OAHLLOKOSA-N 1 0 330.378 2.859 20 10 EFCDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)[C@H]1c1ccccc1 ZINC001276914082 1311294916 /nfs/dbraw/zinc/29/49/16/1311294916.db2.gz MBSJGRSNUJUVNF-APWZRJJASA-N 1 0 340.423 2.749 20 10 EFCDRO CCOc1ccc(N2CC3(C2)CC[N@H+](Cc2cccc(=O)[nH]2)C3)cc1 ZINC001276925815 1311311321 /nfs/dbraw/zinc/31/13/21/1311311321.db2.gz JTNMKLZRRHCJSB-UHFFFAOYSA-N 1 0 339.439 2.898 20 10 EFCDRO COc1ccc(N2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)cc1 ZINC001276926936 1311312601 /nfs/dbraw/zinc/31/26/01/1311312601.db2.gz IKNSUPBGCLMMPX-HDICACEKSA-N 1 0 340.471 2.740 20 10 EFCDRO CCn1ccnc1C[N@@H+]1C[C@@H]2CCN(c3ccc(OC)cc3)[C@@H]2C1 ZINC001276927423 1311313404 /nfs/dbraw/zinc/31/34/04/1311313404.db2.gz RDBCTMQKAZLSNM-MAUKXSAKSA-N 1 0 326.444 2.622 20 10 EFCDRO CCN(C(=O)[C@@H]1CC12C[NH+](Cc1ccc(N(C)C)cc1)C2)C(C)C ZINC001276959005 1311367184 /nfs/dbraw/zinc/36/71/84/1311367184.db2.gz YECHBTSAWMCBSJ-SFHVURJKSA-N 1 0 329.488 2.831 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccnn2C(C)C)cc1C ZINC001158869525 1311406195 /nfs/dbraw/zinc/40/61/95/1311406195.db2.gz KEDOFGZCLYBTSE-UHFFFAOYSA-N 1 0 344.459 2.691 20 10 EFCDRO CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001224620919 1311414889 /nfs/dbraw/zinc/41/48/89/1311414889.db2.gz MDMBNCAQZPQRAO-IAGOWNOFSA-N 1 0 334.460 2.557 20 10 EFCDRO Nc1ccc(CC(=O)N2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1 ZINC001158977061 1311428381 /nfs/dbraw/zinc/42/83/81/1311428381.db2.gz RJXQOSBTLNWPBR-UHFFFAOYSA-N 1 0 327.472 2.678 20 10 EFCDRO CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001224994117 1311461060 /nfs/dbraw/zinc/46/10/60/1311461060.db2.gz OCKMBGPZDIUJGG-KBAYOESNSA-N 1 0 348.487 2.946 20 10 EFCDRO COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1ccc(OC)cc1C ZINC001277018125 1311473784 /nfs/dbraw/zinc/47/37/84/1311473784.db2.gz CXOQOJWOKYQVNI-ALOPSCKCSA-N 1 0 334.460 2.714 20 10 EFCDRO COc1ccc(N2C[C@H]3CC[C@@H](C2)N3Cc2cc(C)nn2C)c(C)c1 ZINC001277022880 1311487242 /nfs/dbraw/zinc/48/72/42/1311487242.db2.gz VCIPNULMBBTJRJ-CALCHBBNSA-N 1 0 340.471 2.899 20 10 EFCDRO CC(C)c1ncc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000902247556 1311574848 /nfs/dbraw/zinc/57/48/48/1311574848.db2.gz BKVMORKRSDSVRN-UHFFFAOYSA-N 1 0 325.460 2.964 20 10 EFCDRO Nc1ccc2c(c1NC=CC1CC[NH2+]CC1)C(=O)c1ccccc1C2=O ZINC001159783530 1311583860 /nfs/dbraw/zinc/58/38/60/1311583860.db2.gz SOUDYDQGHMDABO-FMIVXFBMSA-N 1 0 347.418 2.969 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)c3cc[nH]c3)C[C@H]2C)cc1C ZINC001048257514 1311609054 /nfs/dbraw/zinc/60/90/54/1311609054.db2.gz BHTNNLXTBFYLRE-QAPCUYQASA-N 1 0 341.455 2.830 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C3(C)CC3)C[C@H]2C)cc1C ZINC001048266640 1311619414 /nfs/dbraw/zinc/61/94/14/1311619414.db2.gz OUYQXUCQQGYRNB-WBVHZDCISA-N 1 0 330.472 2.988 20 10 EFCDRO Oc1ccc(Br)cc1CNc1ccc2c(n1)CC[NH2+]C2 ZINC001160012722 1311628360 /nfs/dbraw/zinc/62/83/60/1311628360.db2.gz SMWRVELRGLVJCP-UHFFFAOYSA-N 1 0 334.217 2.808 20 10 EFCDRO Cc1cnc(NCc2cc(Br)ccc2O)nc1C1C[NH2+]C1 ZINC001160019111 1311629571 /nfs/dbraw/zinc/62/95/71/1311629571.db2.gz WMXLITKLMLDTGF-UHFFFAOYSA-N 1 0 349.232 2.552 20 10 EFCDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2c1C(=O)c1c(O)cccc1C2=O ZINC001226380780 1311658522 /nfs/dbraw/zinc/65/85/22/1311658522.db2.gz ALWYGFRLZBQXQO-LBPRGKRZSA-O 1 0 340.399 2.641 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C3(CF)CC3)C[C@@H]2C)cc1C ZINC001048378023 1311724747 /nfs/dbraw/zinc/72/47/47/1311724747.db2.gz GLSPDTUIUSRHOO-RDJZCZTQSA-N 1 0 348.462 2.937 20 10 EFCDRO CN(C)C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccc(N(C)C)c2ccccc12 ZINC001277174166 1311752216 /nfs/dbraw/zinc/75/22/16/1311752216.db2.gz XHNPRWOORYLVSU-IERDGZPVSA-N 1 0 337.467 2.958 20 10 EFCDRO CN(C)C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc(N(C)C)c2ccccc12 ZINC001277174165 1311752404 /nfs/dbraw/zinc/75/24/04/1311752404.db2.gz XHNPRWOORYLVSU-HRAATJIYSA-N 1 0 337.467 2.958 20 10 EFCDRO CCN(C(=O)[C@H]1CC12CC[NH+](Cc1ccc(O)cc1O)CC2)C(C)C ZINC001277192009 1311781292 /nfs/dbraw/zinc/78/12/92/1311781292.db2.gz JFQHVZNBFHXMKZ-QGZVFWFLSA-N 1 0 346.471 2.957 20 10 EFCDRO [NH3+][C@H](CC(=O)N1CCc2cccc(O)c2C1)Cc1c[nH]c2ccccc12 ZINC001160871972 1311799809 /nfs/dbraw/zinc/79/98/09/1311799809.db2.gz DGVWUYMQGAIRHF-INIZCTEOSA-N 1 0 349.434 2.718 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2C[C@H]([NH3+])CC(F)(F)C2)c1 ZINC001160971635 1311824439 /nfs/dbraw/zinc/82/44/39/1311824439.db2.gz KWIUZWBVGHPWCO-CYBMUJFWSA-N 1 0 349.381 2.608 20 10 EFCDRO C[C@H](C[N+](C)(C)C)Oc1c(O)ccc2c1C(=O)c1ccccc1C2=O ZINC001227578060 1311824647 /nfs/dbraw/zinc/82/46/47/1311824647.db2.gz PKJCVYXAXREZHS-GFCCVEGCSA-O 1 0 340.399 2.641 20 10 EFCDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cnccc1N ZINC000902518964 1311828296 /nfs/dbraw/zinc/82/82/96/1311828296.db2.gz VGLLOFVQTSTLNN-IFXJQAMLSA-N 1 0 327.476 2.514 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]([NH3+])COC(C)(C)C ZINC001161134632 1311866793 /nfs/dbraw/zinc/86/67/93/1311866793.db2.gz GTPOVOMNARGCTG-MRXNPFEDSA-N 1 0 335.492 2.634 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]([NH3+])[C@@H](C)OC(C)(C)C ZINC001161135100 1311867262 /nfs/dbraw/zinc/86/72/62/1311867262.db2.gz RTNASJRXYVLYHT-RHSMWYFYSA-N 1 0 335.492 2.632 20 10 EFCDRO CN(C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC001277257036 1311881198 /nfs/dbraw/zinc/88/11/98/1311881198.db2.gz XTCDCUHKKJOAOJ-LCLWPZTBSA-N 1 0 341.499 2.662 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2c(C)cncc2C)cc1C ZINC001162484021 1312112237 /nfs/dbraw/zinc/11/22/37/1312112237.db2.gz HYUSWZXYPASNMU-UHFFFAOYSA-N 1 0 341.455 2.925 20 10 EFCDRO Cc1c(O)cc2c(c1O[C@H](C)C[NH+](C)C)C(=O)c1ccccc1C2=O ZINC001229828775 1312146196 /nfs/dbraw/zinc/14/61/96/1312146196.db2.gz GNOKFKGJTBEKDI-LLVKDONJSA-N 1 0 339.391 2.805 20 10 EFCDRO CC(C)(C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2O)C[C@H]2CCCO[C@H]21 ZINC001277441493 1312176331 /nfs/dbraw/zinc/17/63/31/1312176331.db2.gz MAENQKIBKMUHCI-SOLBZPMBSA-N 1 0 346.471 2.534 20 10 EFCDRO O=C([C@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1O)C2)N1CC=CC1 ZINC001277446337 1312192026 /nfs/dbraw/zinc/19/20/26/1312192026.db2.gz OECWULUONYTHNN-XLIONFOSSA-N 1 0 326.440 2.783 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)NC(C)(C)C)c1O ZINC001277454284 1312229863 /nfs/dbraw/zinc/22/98/63/1312229863.db2.gz PUEKNFBGSASTIW-KUHUBIRLSA-N 1 0 332.444 2.670 20 10 EFCDRO O=C([C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cc(Cl)ccc1O)N1CC=CC1 ZINC001277456966 1312246891 /nfs/dbraw/zinc/24/68/91/1312246891.db2.gz FCHLYCWHMJALKD-XLQHLMKVSA-N 1 0 346.858 2.948 20 10 EFCDRO C[C@@H]([NH2+]CCN1Cc2ccccc2OCC1=O)c1cc(F)ccc1O ZINC000903180470 1312436830 /nfs/dbraw/zinc/43/68/30/1312436830.db2.gz COXCAOJLXDJGAM-CYBMUJFWSA-N 1 0 344.386 2.603 20 10 EFCDRO CC[C@@H]([NH2+]CCN1Cc2ccccc2OCC1=O)c1ccccc1O ZINC000903181752 1312437957 /nfs/dbraw/zinc/43/79/57/1312437957.db2.gz UVMLZBADSDSAOV-QGZVFWFLSA-N 1 0 340.423 2.854 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]CCN2Cc3ccccc3OCC2=O)c(O)c1 ZINC000903181647 1312438399 /nfs/dbraw/zinc/43/83/99/1312438399.db2.gz SZJXAIUSHREDPY-OAHLLOKOSA-N 1 0 340.423 2.772 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3cc(N(C)C)ccn3)CC2)cc1 ZINC000903201620 1312457893 /nfs/dbraw/zinc/45/78/93/1312457893.db2.gz KZVCVMCWAXXZBK-UHFFFAOYSA-N 1 0 340.471 2.915 20 10 EFCDRO Cc1cc(F)cc(C[NH+]2CCC3(CN(Cc4cn[nH]c4)C3)CC2)c1O ZINC001277518876 1312498126 /nfs/dbraw/zinc/49/81/26/1312498126.db2.gz DGYRQZGUIMJHFQ-UHFFFAOYSA-N 1 0 344.434 2.661 20 10 EFCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H](F)[C@H](O)C1 ZINC001231465563 1312504374 /nfs/dbraw/zinc/50/43/74/1312504374.db2.gz FFZKGFFBYJKPDM-PKOBYXMFSA-N 1 0 331.387 2.876 20 10 EFCDRO COc1ccc(Br)c(C[NH+]2CCC3(CCO3)CC2)c1O ZINC001231554171 1312524013 /nfs/dbraw/zinc/52/40/13/1312524013.db2.gz LPWUJWULQRIWSA-UHFFFAOYSA-N 1 0 342.233 2.918 20 10 EFCDRO COc1cc(C[NH+]2CCC(O)(Cc3ccccc3)CC2)c(O)cc1O ZINC001231633917 1312535987 /nfs/dbraw/zinc/53/59/87/1312535987.db2.gz DGEULZMKSQIOJL-UHFFFAOYSA-N 1 0 343.423 2.676 20 10 EFCDRO COc1cc(C[NH+]2CCN(c3cccc(C)c3)CC2)c(O)cc1O ZINC001231633846 1312536178 /nfs/dbraw/zinc/53/61/78/1312536178.db2.gz AGEFKSDKAAAKIA-UHFFFAOYSA-N 1 0 328.412 2.737 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231635448 1312536304 /nfs/dbraw/zinc/53/63/04/1312536304.db2.gz ZFLMFCHNFQGYAH-GFCCVEGCSA-N 1 0 339.388 2.632 20 10 EFCDRO COc1cc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c(O)cc1O ZINC001231635447 1312536392 /nfs/dbraw/zinc/53/63/92/1312536392.db2.gz ZFJYBDUKBDXRCA-UHFFFAOYSA-N 1 0 331.368 2.510 20 10 EFCDRO CCOC(=O)CCC1CC[NH+](Cc2cc(OC)c(O)cc2O)CC1 ZINC001231636346 1312536794 /nfs/dbraw/zinc/53/67/94/1312536794.db2.gz SVBPKQBPFLTIEX-UHFFFAOYSA-N 1 0 337.416 2.662 20 10 EFCDRO COc1cc(C[N@@H+]2CCCN(c3cccc(C)n3)CC2)c(O)cc1O ZINC001231636962 1312536805 /nfs/dbraw/zinc/53/68/05/1312536805.db2.gz BTAPZGQQNZQWHW-UHFFFAOYSA-N 1 0 343.427 2.522 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)no3)C2)c(O)cc1O ZINC001231637660 1312536948 /nfs/dbraw/zinc/53/69/48/1312536948.db2.gz PTRDAWLDPCNRSX-GFCCVEGCSA-N 1 0 347.415 2.992 20 10 EFCDRO COc1cc(CN2CCC[N@H+](Cc3ccccc3)CC2)c(O)cc1O ZINC001231636136 1312537180 /nfs/dbraw/zinc/53/71/80/1312537180.db2.gz KJKXNKIZZHBMLP-UHFFFAOYSA-N 1 0 342.439 2.814 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231639280 1312537537 /nfs/dbraw/zinc/53/75/37/1312537537.db2.gz NTUDCUZDOFDCTF-LBPRGKRZSA-N 1 0 337.416 2.660 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)c(O)cc1O ZINC001231639853 1312537809 /nfs/dbraw/zinc/53/78/09/1312537809.db2.gz MBNZOGNWVWKJFJ-OAHLLOKOSA-N 1 0 344.411 2.853 20 10 EFCDRO COc1cc(C[N@H+](C2CCCC2)C2CCN(C)CC2)c(O)cc1O ZINC001231640767 1312538791 /nfs/dbraw/zinc/53/87/91/1312538791.db2.gz USGVFZWEPKGSOG-UHFFFAOYSA-N 1 0 334.460 2.945 20 10 EFCDRO N[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CCC1(F)F ZINC001206682601 1312543655 /nfs/dbraw/zinc/54/36/55/1312543655.db2.gz CAODYQGPHGSKMA-GFCCVEGCSA-N 1 0 340.292 2.502 20 10 EFCDRO Cc1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)Nc2cn[nH]c2)c(O)c1 ZINC001277560359 1312558869 /nfs/dbraw/zinc/55/88/69/1312558869.db2.gz WNOULHWAGXJXAH-XLQHLMKVSA-N 1 0 340.427 2.567 20 10 EFCDRO Cc1noc(C[C@@H]2C[C@H]3C[N@H+](Cc4c(C)cc(C)cc4O)C[C@H]3O2)n1 ZINC001231844487 1312573493 /nfs/dbraw/zinc/57/34/93/1312573493.db2.gz JVPLOHSJCVCNQM-RLFYNMQTSA-N 1 0 343.427 2.532 20 10 EFCDRO Cc1cc(C)c(C[NH+]2C[C@@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c(O)c1 ZINC001231844905 1312573566 /nfs/dbraw/zinc/57/35/66/1312573566.db2.gz QMNBSCXPQCPCJY-HZPDHXFCSA-N 1 0 340.423 2.806 20 10 EFCDRO Cc1cc(C)c(C[N@@H+]2CCc3onc(Cn4cccn4)c3C2)c(O)c1 ZINC001231845914 1312573655 /nfs/dbraw/zinc/57/36/55/1312573655.db2.gz UKYLIJNJMFIASF-UHFFFAOYSA-N 1 0 338.411 2.800 20 10 EFCDRO Cc1cc(C)c(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)c(O)c1 ZINC001231846049 1312573674 /nfs/dbraw/zinc/57/36/74/1312573674.db2.gz ZOJMDSCFUGJQTO-DOTOQJQBSA-N 1 0 340.423 2.949 20 10 EFCDRO CCn1ncc2c1[C@@H](COC)C[N@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001231844805 1312573713 /nfs/dbraw/zinc/57/37/13/1312573713.db2.gz RHMRCAGHRPTMTF-MRXNPFEDSA-N 1 0 329.444 2.971 20 10 EFCDRO CCOC(=O)C1(C)CC[NH+](Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231853609 1312574920 /nfs/dbraw/zinc/57/49/20/1312574920.db2.gz MPJHIBDPLPYTSZ-UHFFFAOYSA-N 1 0 334.460 2.926 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](Oc2ncncc2C)C1 ZINC001231854290 1312575113 /nfs/dbraw/zinc/57/51/13/1312575113.db2.gz BXGCWVDXCOFBEG-KRWDZBQOSA-N 1 0 342.443 2.513 20 10 EFCDRO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231854754 1312575208 /nfs/dbraw/zinc/57/52/08/1312575208.db2.gz LOPJATDPFQERCF-MRXNPFEDSA-N 1 0 334.460 2.926 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](c2nnc(C)o2)C1 ZINC001231855017 1312575343 /nfs/dbraw/zinc/57/53/43/1312575343.db2.gz OKRQINITJULBOG-HNNXBMFYSA-N 1 0 330.432 2.832 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](Oc2ncccn2)C1 ZINC001231857873 1312575576 /nfs/dbraw/zinc/57/55/76/1312575576.db2.gz OQEAHRZEKGBMAP-QGZVFWFLSA-N 1 0 342.443 2.595 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCCN(c2cccnc2)CC1 ZINC001231857396 1312575666 /nfs/dbraw/zinc/57/56/66/1312575666.db2.gz IOKJUAWNEIGCOE-UHFFFAOYSA-N 1 0 340.471 2.869 20 10 EFCDRO CC1=NC2(CC[NH+](Cc3ccc4ccccc4c3O)CC2)C(=O)N1C ZINC001231882331 1312579610 /nfs/dbraw/zinc/57/96/10/1312579610.db2.gz HAWUGWSBASTRQC-UHFFFAOYSA-N 1 0 337.423 2.770 20 10 EFCDRO O=C(N1CCN(Cc2ccc3ccccc3c2O)CC1)C(F)(F)F ZINC001231879690 1312579789 /nfs/dbraw/zinc/57/97/89/1312579789.db2.gz NWJNCBSJJANHOA-UHFFFAOYSA-N 1 0 338.329 2.752 20 10 EFCDRO CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231880609 1312579917 /nfs/dbraw/zinc/57/99/17/1312579917.db2.gz KJDYKMYNOSDTHG-QGZVFWFLSA-N 1 0 342.439 2.663 20 10 EFCDRO O=S1(=O)CC[C@H](CF)C12CN(Cc1ccc3ccccc3c1O)C2 ZINC001231880249 1312579966 /nfs/dbraw/zinc/57/99/66/1312579966.db2.gz AJWDDHRGZNWWAU-OAHLLOKOSA-N 1 0 349.427 2.504 20 10 EFCDRO C[C@@H]1CN(C2C[NH+](Cc3ccc4ccccc4c3O)C2)C[C@@H](C)O1 ZINC001231884050 1312580722 /nfs/dbraw/zinc/58/07/22/1312580722.db2.gz UYNXVPOLEQASPY-HUUCEWRRSA-N 1 0 326.440 2.839 20 10 EFCDRO C[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ccc(Cl)cc1O ZINC000903373468 1312608973 /nfs/dbraw/zinc/60/89/73/1312608973.db2.gz WIYJKJRYEUAADY-GFCCVEGCSA-N 1 0 341.835 2.744 20 10 EFCDRO CCN1CCC[C@@H]([NH2+][C@H](C)c2cc(Br)ccc2O)C1=O ZINC000903392349 1312627838 /nfs/dbraw/zinc/62/78/38/1312627838.db2.gz QVGNUUPDTHQWPX-ZWNOBZJWSA-N 1 0 341.249 2.816 20 10 EFCDRO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2O)C1=O ZINC000903392561 1312627887 /nfs/dbraw/zinc/62/78/87/1312627887.db2.gz UOXFFGZVMBFBDD-ZWNOBZJWSA-N 1 0 341.249 2.816 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)C2CCC(OC)CC2)cc1C ZINC001165434893 1312630805 /nfs/dbraw/zinc/63/08/05/1312630805.db2.gz XDAGNRLNNUFPSI-UHFFFAOYSA-N 1 0 348.487 2.805 20 10 EFCDRO Clc1cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)ccc1N1CCOCC1 ZINC001232193961 1312646053 /nfs/dbraw/zinc/64/60/53/1312646053.db2.gz CXPRBFNUFORYLK-CVEARBPZSA-N 1 0 336.863 2.645 20 10 EFCDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232194252 1312646678 /nfs/dbraw/zinc/64/66/78/1312646678.db2.gz GPZHUDBIYIUAOA-ZBFHGGJFSA-N 1 0 338.879 2.769 20 10 EFCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@@H]21 ZINC001232199556 1312647031 /nfs/dbraw/zinc/64/70/31/1312647031.db2.gz CKGWZZJYCICFMF-APWZRJJASA-N 1 0 349.906 2.703 20 10 EFCDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232199094 1312647114 /nfs/dbraw/zinc/64/71/14/1312647114.db2.gz CGCXXVSRBCEEQQ-KRWDZBQOSA-N 1 0 338.879 2.912 20 10 EFCDRO Clc1cc(CN2CC[C@H]([NH+]3CCCC3)C2)ccc1N1CCOCC1 ZINC001232199943 1312647121 /nfs/dbraw/zinc/64/71/21/1312647121.db2.gz LHRONWOAQBVJDH-KRWDZBQOSA-N 1 0 349.906 2.847 20 10 EFCDRO Clc1cc(CN2CC([NH+]3CCCCC3)C2)ccc1N1CCOCC1 ZINC001232200340 1312647405 /nfs/dbraw/zinc/64/74/05/1312647405.db2.gz UACUHEXXDNAYFF-UHFFFAOYSA-N 1 0 349.906 2.847 20 10 EFCDRO C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1ccc(N3CCOCC3)c(Cl)c1)C2 ZINC001232201746 1312648133 /nfs/dbraw/zinc/64/81/33/1312648133.db2.gz MJSGNGIDEKYOFT-VQIMIIECSA-N 1 0 349.906 2.560 20 10 EFCDRO CCOC(=O)CC1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232258361 1312660108 /nfs/dbraw/zinc/66/01/08/1312660108.db2.gz VSJWNMNSUXJSEX-UHFFFAOYSA-N 1 0 327.808 2.916 20 10 EFCDRO O=C([C@@H]1CCC[N@@H+](Cc2cc(Cl)c(O)cc2O)C1)N1CCCC1 ZINC001232261483 1312660899 /nfs/dbraw/zinc/66/08/99/1312660899.db2.gz ISADMEBBXXQRMU-GFCCVEGCSA-N 1 0 338.835 2.586 20 10 EFCDRO CCC(=O)NC1CC[NH+](Cc2cc(Cl)c(OC)cc2O)CC1 ZINC001232264014 1312661816 /nfs/dbraw/zinc/66/18/16/1312661816.db2.gz DGFSMBRJSGZFOP-UHFFFAOYSA-N 1 0 326.824 2.545 20 10 EFCDRO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)n1 ZINC001232265034 1312661946 /nfs/dbraw/zinc/66/19/46/1312661946.db2.gz NQCKJHRLSMFZAK-CYBMUJFWSA-N 1 0 349.818 2.893 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)cc1Cl ZINC001232265068 1312662033 /nfs/dbraw/zinc/66/20/33/1312662033.db2.gz GRLKQYGZOPLFNG-KRWDZBQOSA-N 1 0 338.835 2.689 20 10 EFCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)[C@@H]1C ZINC001232268355 1312662727 /nfs/dbraw/zinc/66/27/27/1312662727.db2.gz ORURRTJMCUIZEP-PWSUYJOCSA-N 1 0 327.808 2.915 20 10 EFCDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232269448 1312662813 /nfs/dbraw/zinc/66/28/13/1312662813.db2.gz AVTLSMSAVPZDEG-JQWIXIFHSA-N 1 0 327.808 2.685 20 10 EFCDRO CCNC(=O)OC1CC[NH+](Cc2cc(Cl)c(OC)cc2O)CC1 ZINC001232267910 1312662876 /nfs/dbraw/zinc/66/28/76/1312662876.db2.gz JRNZUXNENHFAOR-UHFFFAOYSA-N 1 0 342.823 2.765 20 10 EFCDRO CC[NH+](CC)C[C@H]1CN(Cc2cc(Cl)c(OC)cc2O)CCO1 ZINC001232270943 1312663488 /nfs/dbraw/zinc/66/34/88/1312663488.db2.gz MZDPJBROLNFCOJ-AWEZNQCLSA-N 1 0 342.867 2.597 20 10 EFCDRO COc1cc(Br)c(O)c(Nc2cc[nH+]cc2OC)c1 ZINC001211259515 1314464783 /nfs/dbraw/zinc/46/47/83/1314464783.db2.gz BCSIVTGCUFBZMJ-UHFFFAOYSA-N 1 0 325.162 2.732 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[C@@H]3CCCOC3)C2)cc1C ZINC001019784124 1314499187 /nfs/dbraw/zinc/49/91/87/1314499187.db2.gz AKAQLYJPKHFYNA-ROUUACIJSA-N 1 0 346.471 2.511 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3C[N@H+](C)CCN3)n2)cc1 ZINC001211457173 1314504861 /nfs/dbraw/zinc/50/48/61/1314504861.db2.gz GWVKBPCYHKEXSD-QGZVFWFLSA-N 1 0 337.427 2.720 20 10 EFCDRO O=C(c1ccccc1)c1cc(Cl)ccc1NC[C@]1(O)CC[NH2+]C1 ZINC001245964448 1314556457 /nfs/dbraw/zinc/55/64/57/1314556457.db2.gz TZACRCBSHVZKOH-SFHVURJKSA-N 1 0 330.815 2.707 20 10 EFCDRO O=C(c1ccccc1)c1cc(Cl)ccc1NC[C@@]1(O)CC[NH2+]C1 ZINC001245964430 1314556672 /nfs/dbraw/zinc/55/66/72/1314556672.db2.gz TZACRCBSHVZKOH-GOSISDBHSA-N 1 0 330.815 2.707 20 10 EFCDRO CC(C)NC(=O)N1CC2(C1)C[NH+](Cc1ccc3ccccc3c1O)C2 ZINC001276373809 1314574016 /nfs/dbraw/zinc/57/40/16/1314574016.db2.gz JTOKEIAFNWLOPT-UHFFFAOYSA-N 1 0 339.439 2.781 20 10 EFCDRO COc1ccc(N2CCN([C@H]3CC[NH2+][C@@H](C(C)(C)C)C3)CC2)cc1 ZINC001246521761 1314641150 /nfs/dbraw/zinc/64/11/50/1314641150.db2.gz QREIVDICJNHATB-PKOBYXMFSA-N 1 0 331.504 2.984 20 10 EFCDRO CN(C)c1ccc(C[N@H+](CC(=O)N(C)CC(F)(F)F)C2CC2)cc1 ZINC000749115755 1314679110 /nfs/dbraw/zinc/67/91/10/1314679110.db2.gz KGOIYKOOVRQMCU-UHFFFAOYSA-N 1 0 343.393 2.738 20 10 EFCDRO O=C(OCc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000401898950 1314831051 /nfs/dbraw/zinc/83/10/51/1314831051.db2.gz BZLJSYMUXZXFDH-QGZVFWFLSA-N 1 0 326.396 2.893 20 10 EFCDRO C[NH+]1CCN(c2ccc(-c3noc(Cc4ccc(N)cc4)n3)cc2)CC1 ZINC001248184137 1314901792 /nfs/dbraw/zinc/90/17/92/1314901792.db2.gz OBPCVKMGBZPSGW-UHFFFAOYSA-N 1 0 349.438 2.661 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(CN3CC[NH2+]CC3)n2)cc1 ZINC001248216074 1314906633 /nfs/dbraw/zinc/90/66/33/1314906633.db2.gz GULSKQOEDMAOFX-UHFFFAOYSA-N 1 0 337.427 2.549 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(C[C@H]3C[NH2+]CCO3)n2)cc1 ZINC001248352751 1314928066 /nfs/dbraw/zinc/92/80/66/1314928066.db2.gz QAPIFXQEFJYRAR-KRWDZBQOSA-N 1 0 338.411 2.675 20 10 EFCDRO COc1cc(I)cc(C[N@H+](C)CC2CC2)c1O ZINC001248387020 1314930494 /nfs/dbraw/zinc/93/04/94/1314930494.db2.gz SZMCKMQTGLOIFO-UHFFFAOYSA-N 1 0 347.196 2.847 20 10 EFCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cc1Cl ZINC001248881072 1314990935 /nfs/dbraw/zinc/99/09/35/1314990935.db2.gz PRXWOCVBRJQUPE-BDJLRTHQSA-N 1 0 327.852 2.518 20 10 EFCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)cc1Cl ZINC001248883907 1314991961 /nfs/dbraw/zinc/99/19/61/1314991961.db2.gz RSVCDBDQANTJHQ-AAEUAGOBSA-N 1 0 336.863 2.911 20 10 EFCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)cc1Cl ZINC001248885141 1314992159 /nfs/dbraw/zinc/99/21/59/1314992159.db2.gz KYMLYNFXRVHKGI-WCQYABFASA-N 1 0 336.863 2.911 20 10 EFCDRO CC(C)=CC[NH2+][C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001216898810 1315020801 /nfs/dbraw/zinc/02/08/01/1315020801.db2.gz LGMPXWWZHMKELU-CZUORRHYSA-N 1 0 343.431 2.865 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)c(O)c1 ZINC001249171598 1315028670 /nfs/dbraw/zinc/02/86/70/1315028670.db2.gz DDAMLJBBQPYHOW-AWEZNQCLSA-N 1 0 331.334 2.677 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](C)C(F)(F)CC2)c(O)c1 ZINC001249171871 1315028768 /nfs/dbraw/zinc/02/87/68/1315028768.db2.gz GVQCACGVDGHWQG-LBPRGKRZSA-N 1 0 327.371 2.975 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c(O)c1 ZINC001249201157 1315033183 /nfs/dbraw/zinc/03/31/83/1315033183.db2.gz HVSDRFPMLBNOIH-QGZVFWFLSA-N 1 0 326.396 2.840 20 10 EFCDRO CC(=O)NC1CC[NH+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249223408 1315034353 /nfs/dbraw/zinc/03/43/53/1315034353.db2.gz FCYAVYZENFBPLG-UHFFFAOYSA-N 1 0 330.428 2.677 20 10 EFCDRO COC(=O)Cc1ccc(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c(O)c1 ZINC001249223632 1315034511 /nfs/dbraw/zinc/03/45/11/1315034511.db2.gz KIJWCMUOWKCODR-QGZVFWFLSA-N 1 0 341.407 2.543 20 10 EFCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCO[C@@H]4C[C@@H](CO)C[C@@H]43)ccc2O1 ZINC001249231023 1315036441 /nfs/dbraw/zinc/03/64/41/1315036441.db2.gz ZQXQJHPKNAFYQS-QANKJYHBSA-N 1 0 345.439 2.548 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000038635169 1315039497 /nfs/dbraw/zinc/03/94/97/1315039497.db2.gz KAHBZXYSCBQCQS-IBGZPJMESA-N 1 0 336.439 2.657 20 10 EFCDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252140 1315039746 /nfs/dbraw/zinc/03/97/46/1315039746.db2.gz GWPGOCCQWXSVCU-HNNXBMFYSA-N 1 0 330.428 2.629 20 10 EFCDRO CC(=O)N1CC[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C[C@H]1C ZINC001249258974 1315040537 /nfs/dbraw/zinc/04/05/37/1315040537.db2.gz PCLMHCYLQPMIKV-CYBMUJFWSA-N 1 0 330.428 2.629 20 10 EFCDRO Cc1nnn(-c2ccc(F)cc2)c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001249450231 1315075803 /nfs/dbraw/zinc/07/58/03/1315075803.db2.gz IWHFZKXXQAXWDG-UHFFFAOYSA-N 1 0 338.386 2.979 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3CCC[NH2+]C[C@H]3F)ccc21 ZINC001217952255 1315124479 /nfs/dbraw/zinc/12/44/79/1315124479.db2.gz VVUSHTPTUDFNEH-QZTJIDSGSA-N 1 0 339.366 2.931 20 10 EFCDRO C[NH2+][C@H]1C[C@@H](Oc2c(OC)ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001217957898 1315125339 /nfs/dbraw/zinc/12/53/39/1315125339.db2.gz WDEBVXTULKJCPD-TXEJJXNPSA-N 1 0 337.375 2.600 20 10 EFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@H]3CCCC[NH2+]C3)cccc21 ZINC001217972531 1315127430 /nfs/dbraw/zinc/12/74/30/1315127430.db2.gz SJOHRYTVNBWBRD-LBPRGKRZSA-N 1 0 337.375 2.689 20 10 EFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@H]2C(C)=O)c(O)c1 ZINC001249743980 1315130101 /nfs/dbraw/zinc/13/01/01/1315130101.db2.gz RRGBQLYQTZNTFT-KRWDZBQOSA-N 1 0 349.427 2.668 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@@H]1CCC[NH2+]CC1 ZINC001217993673 1315130286 /nfs/dbraw/zinc/13/02/86/1315130286.db2.gz BGLSJPLACCZSGU-GFCCVEGCSA-N 1 0 337.375 2.689 20 10 EFCDRO C[C@@H]1C[C@H](Oc2cccc3c2C(=O)c2c(O)cccc2C3=O)CC[NH2+]1 ZINC001218050233 1315139339 /nfs/dbraw/zinc/13/93/39/1315139339.db2.gz PVRLNZMADHQXGB-VXGBXAGGSA-N 1 0 337.375 2.687 20 10 EFCDRO C[C@H]1C[C@@H](Oc2cccc3c2C(=O)c2cccc(O)c2C3=O)CC[NH2+]1 ZINC001218062387 1315140660 /nfs/dbraw/zinc/14/06/60/1315140660.db2.gz SWFMDSJCPFPJFQ-RYUDHWBXSA-N 1 0 337.375 2.687 20 10 EFCDRO C[C@@H]1C[C@@H](Oc2cccc3c2C(=O)c2cccc(O)c2C3=O)CC[NH2+]1 ZINC001218062385 1315140794 /nfs/dbraw/zinc/14/07/94/1315140794.db2.gz SWFMDSJCPFPJFQ-NEPJUHHUSA-N 1 0 337.375 2.687 20 10 EFCDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)nc1C ZINC001249908685 1315153441 /nfs/dbraw/zinc/15/34/41/1315153441.db2.gz CEKNOHWIPPDCHV-UHFFFAOYSA-N 1 0 341.455 2.867 20 10 EFCDRO CCOc1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC001250009022 1315166361 /nfs/dbraw/zinc/16/63/61/1315166361.db2.gz ABEKCAFZARVSMD-UHFFFAOYSA-N 1 0 341.455 2.949 20 10 EFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3C[C@H]4CC[NH2+][C@H]4C3)cccc21 ZINC001218247181 1315170485 /nfs/dbraw/zinc/17/04/85/1315170485.db2.gz PKWOQTZAQLYPPA-JMSVASOKSA-N 1 0 349.386 2.687 20 10 EFCDRO O=C1c2cccc(O[C@H]3C[C@H]4[NH2+]CC[C@H]4C3)c2C(=O)c2cccc(O)c21 ZINC001218248480 1315171325 /nfs/dbraw/zinc/17/13/25/1315171325.db2.gz HDQPWTNRDSEJSI-YWPYICTPSA-N 1 0 349.386 2.687 20 10 EFCDRO O=C1c2cccc(O[C@@H]3C[C@H]4CC[NH2+][C@@H]4C3)c2C(=O)c2cccc(O)c21 ZINC001218248474 1315171446 /nfs/dbraw/zinc/17/14/46/1315171446.db2.gz HDQPWTNRDSEJSI-LALPHHSUSA-N 1 0 349.386 2.687 20 10 EFCDRO COC(=O)C1CC[NH+](Cc2cc(C)c(Br)cc2O)CC1 ZINC001250123417 1315175125 /nfs/dbraw/zinc/17/51/25/1315175125.db2.gz PBDHIEHGUHQLJR-UHFFFAOYSA-N 1 0 342.233 2.848 20 10 EFCDRO CC/C=C\CCOC(=O)[C@H](C)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218293384 1315175374 /nfs/dbraw/zinc/17/53/74/1315175374.db2.gz YJWWPFZSQLYTCB-AWFCHZOYSA-N 1 0 332.444 2.763 20 10 EFCDRO CC(=O)N1CCN(Cc2cc(C)c(Br)cc2O)C[C@H]1C ZINC001250133997 1315177237 /nfs/dbraw/zinc/17/72/37/1315177237.db2.gz UPJJNYYSTIDTTQ-LLVKDONJSA-N 1 0 341.249 2.516 20 10 EFCDRO Cc1cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c(O)cc1Br ZINC001250133981 1315177297 /nfs/dbraw/zinc/17/72/97/1315177297.db2.gz SVDDPDKWVHSAKP-MRXNPFEDSA-N 1 0 339.277 2.991 20 10 EFCDRO COc1cccc(OC[C@H](C)Oc2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC001218356667 1315183648 /nfs/dbraw/zinc/18/36/48/1315183648.db2.gz RCKNJJFODHPEIC-INIZCTEOSA-N 1 0 342.439 2.951 20 10 EFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3CC[C@@H]4C[NH2+]C[C@H]34)cccc21 ZINC001218473850 1315201342 /nfs/dbraw/zinc/20/13/42/1315201342.db2.gz SBCXFJXYBLTMHP-DIOULYMOSA-N 1 0 349.386 2.544 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CC[C@H]4C[NH2+]C[C@@H]43)cccc21 ZINC001218472405 1315201558 /nfs/dbraw/zinc/20/15/58/1315201558.db2.gz LHXYBKUFDCKTEY-AFAVFJNCSA-N 1 0 333.387 2.839 20 10 EFCDRO CC(C)c1ccc(OC[C@@H](O)C[NH2+]CCc2ccc(O)c(O)c2)cc1 ZINC001250772457 1315262589 /nfs/dbraw/zinc/26/25/89/1315262589.db2.gz QQPRLLZTZXYIFN-KRWDZBQOSA-N 1 0 345.439 2.793 20 10 EFCDRO CC(C)c1ccc(OC[C@@H](O)C[NH2+]Cc2cccc(O)c2O)cc1 ZINC001250782802 1315263820 /nfs/dbraw/zinc/26/38/20/1315263820.db2.gz LQDCZWMNAGDMCR-INIZCTEOSA-N 1 0 331.412 2.751 20 10 EFCDRO CC[N@@H+](Cc1ccccc1O)C[C@H](O)COc1ccc(F)cc1F ZINC001250861547 1315281920 /nfs/dbraw/zinc/28/19/20/1315281920.db2.gz UPKCGQVVNLPFGN-HNNXBMFYSA-N 1 0 337.366 2.932 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](O)COc2ccc(F)cc2F)cc1C ZINC001250884911 1315288565 /nfs/dbraw/zinc/28/85/65/1315288565.db2.gz GYIKIRPNNAVNCI-HNNXBMFYSA-N 1 0 337.366 2.811 20 10 EFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)C[C@@H](O)C[NH3+])cc2)cc1 ZINC001219203766 1315289998 /nfs/dbraw/zinc/28/99/98/1315289998.db2.gz NIWCAXBSBVTUPJ-GNAXCBTBSA-N 1 0 339.439 2.571 20 10 EFCDRO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001251700518 1315368058 /nfs/dbraw/zinc/36/80/58/1315368058.db2.gz JHSJKGBBWQGMPH-KRWDZBQOSA-N 1 0 343.423 2.594 20 10 EFCDRO [NH3+][C@H](C(=O)NCc1cc(Cl)c2cccnc2c1O)c1ccccc1 ZINC001220212662 1315385437 /nfs/dbraw/zinc/38/54/37/1315385437.db2.gz RLDORSBYXAMJGF-HNNXBMFYSA-N 1 0 341.798 2.910 20 10 EFCDRO C[C@H]1CC[NH2+][C@H](C(=O)NCc2cc(Cl)c3cccnc3c2O)C1 ZINC001220212725 1315385455 /nfs/dbraw/zinc/38/54/55/1315385455.db2.gz UGBHUJUHOJPYCK-HZMBPMFUSA-N 1 0 333.819 2.598 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+]CCc3ccc(O)cc3)cc2F)CC1 ZINC001318419028 1328583034 /nfs/dbraw/zinc/58/30/34/1328583034.db2.gz DGZUWDYYCCNOAT-UHFFFAOYSA-N 1 0 343.446 2.615 20 10 EFCDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001252062559 1315408431 /nfs/dbraw/zinc/40/84/31/1315408431.db2.gz CIURLVYRZSFDLR-RBUKOAKNSA-N 1 0 342.487 2.735 20 10 EFCDRO COCCOCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(C(C)C)cc1O)C2 ZINC001276814276 1315424857 /nfs/dbraw/zinc/42/48/57/1315424857.db2.gz FXEDIKNGSSBFRJ-APWZRJJASA-N 1 0 348.487 2.642 20 10 EFCDRO CC(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061697 1315435179 /nfs/dbraw/zinc/43/51/79/1315435179.db2.gz SMHOTRGYGGNTMH-OAHLLOKOSA-N 1 0 331.420 2.699 20 10 EFCDRO CC(C)c1ccc(C[NH+]2CC3(CCN3Cc3cn[nH]c3)C2)c(O)c1 ZINC001276815378 1315439880 /nfs/dbraw/zinc/43/98/80/1315439880.db2.gz SQVYELWWPFFXGD-UHFFFAOYSA-N 1 0 326.444 2.699 20 10 EFCDRO Cc1cc(C)c(CNC(=O)[C@@H]2CC[C@H](C(F)(F)F)C[NH2+]2)c(O)c1 ZINC001220826030 1315454248 /nfs/dbraw/zinc/45/42/48/1315454248.db2.gz YIHJZYLJDWXCNO-AAEUAGOBSA-N 1 0 330.350 2.556 20 10 EFCDRO CN(C)c1ccc(/C=C/C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC001221397220 1315520549 /nfs/dbraw/zinc/52/05/49/1315520549.db2.gz HVDJCCQOYYVEFW-DLENHJPASA-N 1 0 335.451 2.597 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2OC)cc1C ZINC001252913103 1315530425 /nfs/dbraw/zinc/53/04/25/1315530425.db2.gz VTFOVBHPFCDZHV-MRXNPFEDSA-N 1 0 331.412 2.542 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccncc3)C[C@@H]2C)cc1C ZINC001054332975 1315537895 /nfs/dbraw/zinc/53/78/95/1315537895.db2.gz KBBNDINGXATBCX-MAUKXSAKSA-N 1 0 339.439 2.649 20 10 EFCDRO Cc1cc(C)c(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)c(O)c1 ZINC001252949891 1315541786 /nfs/dbraw/zinc/54/17/86/1315541786.db2.gz XIVSBBXBBUHLQU-NRFANRHFSA-N 1 0 340.467 2.736 20 10 EFCDRO CCc1cccc(C[NH2+][C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)c1O ZINC000826981526 1315549766 /nfs/dbraw/zinc/54/97/66/1315549766.db2.gz ZKNYAMVQOAIDON-MRXNPFEDSA-N 1 0 340.423 2.858 20 10 EFCDRO CCCC[C@@H](CC)COC[C@H](O)C[NH2+]Cc1ccc(O)cc1O ZINC001253023536 1315555536 /nfs/dbraw/zinc/55/55/36/1315555536.db2.gz WMYMIHLDHQFIMG-RHSMWYFYSA-N 1 0 325.449 2.781 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cscn3)C[C@H]2C)cc1C ZINC001054481475 1315561134 /nfs/dbraw/zinc/56/11/34/1315561134.db2.gz JULOSCKJNAUWBI-UKRRQHHQSA-N 1 0 345.468 2.710 20 10 EFCDRO CC[N@H+](Cc1ccccc1O)C[C@@](C)(O)C(=O)OCc1ccccc1 ZINC001253637306 1315621248 /nfs/dbraw/zinc/62/12/48/1315621248.db2.gz ZTQOWWCWIAZWCJ-HXUWFJFHSA-N 1 0 343.423 2.709 20 10 EFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C[C@H](O)C(=O)OC(C)(C)C ZINC001253713830 1315630812 /nfs/dbraw/zinc/63/08/12/1315630812.db2.gz KNQNXFWJGYBYGD-YOEHRIQHSA-N 1 0 349.471 2.925 20 10 EFCDRO NC(=O)COC1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC001254018280 1315666165 /nfs/dbraw/zinc/66/61/65/1315666165.db2.gz GXWVHTXOQZVDEK-UHFFFAOYSA-N 1 0 340.423 2.526 20 10 EFCDRO FC(F)(F)Oc1ccc(N2CC[NH+]([C@H]3CCCOC3)CC2)cc1 ZINC001254388216 1315700532 /nfs/dbraw/zinc/70/05/32/1315700532.db2.gz RKEYDTLHHITGEU-AWEZNQCLSA-N 1 0 330.350 2.886 20 10 EFCDRO Cc1cccnc1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC001254453594 1315705902 /nfs/dbraw/zinc/70/59/02/1315705902.db2.gz KCCVWNBMQPWPLI-UHFFFAOYSA-N 1 0 325.456 2.889 20 10 EFCDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+]Cc3cccc(O)c3O)C[C@@H]2C1 ZINC001254896290 1315756799 /nfs/dbraw/zinc/75/67/99/1315756799.db2.gz SNZVAWIOJNLTHU-FICVDOATSA-N 1 0 348.443 2.833 20 10 EFCDRO CCOC(=O)[C@@H]1CCC[C@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001255356170 1315808517 /nfs/dbraw/zinc/80/85/17/1315808517.db2.gz HSIWMJXEZADLSC-AEFFLSMTSA-N 1 0 346.471 2.939 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@H]3CCOC(C)(C)C3)CC2)c(OC)c1 ZINC001255551887 1315840098 /nfs/dbraw/zinc/84/00/98/1315840098.db2.gz QPDPTLKYHDWHMI-HNNXBMFYSA-N 1 0 334.460 2.783 20 10 EFCDRO COc1ccc(N2CC[NH+](C3CCC4(CC3)OCCO4)CC2)cc1 ZINC001255620483 1315848824 /nfs/dbraw/zinc/84/88/24/1315848824.db2.gz FDQHPVQGZIZTAS-UHFFFAOYSA-N 1 0 332.444 2.503 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCN(C2CC2)CC1 ZINC001256076696 1315901315 /nfs/dbraw/zinc/90/13/15/1315901315.db2.gz IITIRUQRVHKDSG-UHFFFAOYSA-N 1 0 329.488 2.582 20 10 EFCDRO Oc1cc(O)c(CC[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)cc1O ZINC001256790428 1315991885 /nfs/dbraw/zinc/99/18/85/1315991885.db2.gz SBVYIIAJNJGFAM-DNVCBOLYSA-N 1 0 329.396 2.856 20 10 EFCDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3O)CC2)C1 ZINC001257042156 1316024208 /nfs/dbraw/zinc/02/42/08/1316024208.db2.gz ZDTRQGJMKKWSQZ-MAUKXSAKSA-N 1 0 346.471 2.678 20 10 EFCDRO COc1ccc(N2CC[NH+](C3C[C@@H](C)O[C@H](C)C3)CC2)c(OC)c1 ZINC001257106327 1316034972 /nfs/dbraw/zinc/03/49/72/1316034972.db2.gz OUNDNOAVLZZCTI-HUUCEWRRSA-N 1 0 334.460 2.782 20 10 EFCDRO COC(=O)C1CCC([NH2+]C2CCN(Cc3ccccc3O)CC2)CC1 ZINC001257858116 1316098040 /nfs/dbraw/zinc/09/80/40/1316098040.db2.gz IHUYJEIAEZKVBW-UHFFFAOYSA-N 1 0 346.471 2.678 20 10 EFCDRO COc1ccc(CC[C@H](C)[NH2+]C[C@@H](O)c2ccc(O)c(O)c2)cc1 ZINC001258389269 1316147437 /nfs/dbraw/zinc/14/74/37/1316147437.db2.gz RMBBIRDQWPYBEV-ORAYPTAESA-N 1 0 331.412 2.751 20 10 EFCDRO COc1ccc(CC[C@H](C)[NH2+]CCc2cc(O)c(O)cc2O)cc1 ZINC001258390537 1316147646 /nfs/dbraw/zinc/14/76/46/1316147646.db2.gz NSIVEBDNAMGYJD-ZDUSSCGKSA-N 1 0 331.412 2.965 20 10 EFCDRO O=C1CC[C@H]([NH2+]Cc2ccc(O)c(O)c2)CCN1Cc1ccccc1 ZINC001258574189 1316164059 /nfs/dbraw/zinc/16/40/59/1316164059.db2.gz OOOUMDYUHGBBPJ-KRWDZBQOSA-N 1 0 340.423 2.769 20 10 EFCDRO O=C(c1ccccc1)N1CCC([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001258637253 1316169105 /nfs/dbraw/zinc/16/91/05/1316169105.db2.gz NQOIDSRKLADGSW-UHFFFAOYSA-N 1 0 340.423 2.535 20 10 EFCDRO CCC[N@@H+]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1C ZINC001072102648 1316357958 /nfs/dbraw/zinc/35/79/58/1316357958.db2.gz QCHVQIPGZVAAGJ-IUODEOHRSA-N 1 0 331.420 2.842 20 10 EFCDRO CC(C)[C@]1(CO)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001261206693 1316396334 /nfs/dbraw/zinc/39/63/34/1316396334.db2.gz XJKOHNKITFRORY-LJQANCHMSA-N 1 0 336.451 2.503 20 10 EFCDRO CCCN(C(=O)NCc1ccc(N(C)C)cc1C)[C@H]1CC[N@H+](C)C1 ZINC001261453411 1316412936 /nfs/dbraw/zinc/41/29/36/1316412936.db2.gz FIACTUMVUSKVHD-SFHVURJKSA-N 1 0 332.492 2.687 20 10 EFCDRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC001261814131 1316432213 /nfs/dbraw/zinc/43/22/13/1316432213.db2.gz QTIZEMDOIHALHC-HZMBPMFUSA-N 1 0 325.250 2.727 20 10 EFCDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001262362228 1316464008 /nfs/dbraw/zinc/46/40/08/1316464008.db2.gz KBKYBEYLLBOJQF-UHFFFAOYSA-N 1 0 325.405 2.621 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001263799379 1316562115 /nfs/dbraw/zinc/56/21/15/1316562115.db2.gz ONPWCVDLWGGNSU-UHFFFAOYSA-N 1 0 340.427 2.598 20 10 EFCDRO CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]21 ZINC001042371671 1317230258 /nfs/dbraw/zinc/23/02/58/1317230258.db2.gz UJJKEQDRUGJTRQ-CJNGLKHVSA-N 1 0 343.431 2.795 20 10 EFCDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1(C)C ZINC001318802836 1328705128 /nfs/dbraw/zinc/70/51/28/1328705128.db2.gz AGSVJBBYACIYLF-QUCCMNQESA-N 1 0 349.494 2.871 20 10 EFCDRO CSC[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319717104 1328962471 /nfs/dbraw/zinc/96/24/71/1328962471.db2.gz LAMCANOFMGXJGO-INIZCTEOSA-N 1 0 337.508 2.905 20 10 EFCDRO C[N@H+](CCCO)C1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319823633 1329005082 /nfs/dbraw/zinc/00/50/82/1329005082.db2.gz RWMIROUOKBZEQK-UHFFFAOYSA-N 1 0 331.504 2.565 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+]CCCn2ccnc2)ccc1N1CCCCC1 ZINC000743503659 1322989925 /nfs/dbraw/zinc/98/99/25/1322989925.db2.gz PMYQKJYSIZEOKC-UHFFFAOYSA-N 1 0 343.431 2.962 20 10 EFCDRO O=C(NC1CC1)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC001320481016 1329141236 /nfs/dbraw/zinc/14/12/36/1329141236.db2.gz YMWRRIWAXVDJSU-MRXNPFEDSA-N 1 0 328.456 2.762 20 10 EFCDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001320487828 1329143386 /nfs/dbraw/zinc/14/33/86/1329143386.db2.gz WEKKUORPQMUILZ-HXUWFJFHSA-N 1 0 349.494 2.562 20 10 EFCDRO CC[N@@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)C[C@@H]1CCCO1 ZINC001320487031 1329143538 /nfs/dbraw/zinc/14/35/38/1329143538.db2.gz KXFLQHUPKQREBS-KRWDZBQOSA-N 1 0 335.467 2.578 20 10 EFCDRO CC(C)C[C@](C)(C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000900051345 1324676587 /nfs/dbraw/zinc/67/65/87/1324676587.db2.gz BNTIANDKYQBQEZ-HXUWFJFHSA-N 1 0 347.503 2.665 20 10 EFCDRO C[C@H](C[S@](C)=O)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000753765244 1324795977 /nfs/dbraw/zinc/79/59/77/1324795977.db2.gz XWKSVGVBHOWCFB-VJBOLBCHSA-N 1 0 344.908 2.594 20 10 EFCDRO CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000904400722 1324875696 /nfs/dbraw/zinc/87/56/96/1324875696.db2.gz MEUGMQLTUHCRIG-FQEVSTJZSA-N 1 0 345.487 2.515 20 10 EFCDRO C[C@@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)c1ccc(N(C)C)cc1 ZINC001320805187 1329304555 /nfs/dbraw/zinc/30/45/55/1329304555.db2.gz RENKNIHGDJODGZ-CQSZACIVSA-N 1 0 335.411 2.824 20 10 EFCDRO CS(=O)(=O)[C@@H]1CCCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001320868601 1329312279 /nfs/dbraw/zinc/31/22/79/1329312279.db2.gz BOZVQDHKGXBKIC-GOSISDBHSA-N 1 0 336.501 2.686 20 10 EFCDRO CS[C@@H]1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC001322156271 1329433779 /nfs/dbraw/zinc/43/37/79/1329433779.db2.gz BXYHRDDOPLNOOS-ZWKOTPCHSA-N 1 0 349.544 2.927 20 10 EFCDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001322338440 1329449032 /nfs/dbraw/zinc/44/90/32/1329449032.db2.gz KHYPVVCSJTZLMQ-SJLPKXTDSA-N 1 0 349.494 2.703 20 10 EFCDRO Cc1c(C(=O)NCc2ccc(N(C)C)c(F)c2)ccc2c[nH+]cn21 ZINC001323656063 1329559063 /nfs/dbraw/zinc/55/90/63/1329559063.db2.gz MYWDPQIFRPSLRC-UHFFFAOYSA-N 1 0 326.375 2.778 20 10 EFCDRO C[C@H](CO)[N@@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)CC1CCC1 ZINC001323764872 1329569224 /nfs/dbraw/zinc/56/92/24/1329569224.db2.gz WXHRAIDHZDTFNP-MRXNPFEDSA-N 1 0 349.494 2.560 20 10 EFCDRO OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001324395091 1329623233 /nfs/dbraw/zinc/62/32/33/1329623233.db2.gz QMLHLSSJLCLZGY-CTNGQTDRSA-N 1 0 340.467 2.861 20 10 EFCDRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001324395092 1329623429 /nfs/dbraw/zinc/62/34/29/1329623429.db2.gz QMLHLSSJLCLZGY-FPOVZHCZSA-N 1 0 340.467 2.861 20 10 EFCDRO O=C1CC[C@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)CCN1 ZINC001324722834 1329653927 /nfs/dbraw/zinc/65/39/27/1329653927.db2.gz ZEBMCFQRIBPWQJ-HNNXBMFYSA-N 1 0 328.412 2.904 20 10 EFCDRO Cc1c(C(=O)NCc2ccc3c(c2)CCCN3C)ccc2c[nH+]cn21 ZINC001324976232 1329664660 /nfs/dbraw/zinc/66/46/60/1329664660.db2.gz IBCKJHANAMQAQP-UHFFFAOYSA-N 1 0 334.423 2.955 20 10 EFCDRO CN1CCN(c2ccc(CNCC[N@@H+]3CCCC3(C)C)cc2F)CC1 ZINC001325133388 1329672767 /nfs/dbraw/zinc/67/27/67/1329672767.db2.gz RTQCZEBXNIWWNE-UHFFFAOYSA-N 1 0 348.510 2.542 20 10 EFCDRO CC(C)(C[NH2+]Cc1ccc(N2CCCC2)cc1)C1(O)CCOCC1 ZINC001325383440 1329684370 /nfs/dbraw/zinc/68/43/70/1329684370.db2.gz QDXXUGVNPHCHJW-UHFFFAOYSA-N 1 0 332.488 2.944 20 10 EFCDRO CCC[C@]1([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCOC1 ZINC001325660352 1329704454 /nfs/dbraw/zinc/70/44/54/1329704454.db2.gz PCXNSPNFTRGXLT-IBGZPJMESA-N 1 0 335.467 2.626 20 10 EFCDRO C[NH+](C)CCN(Cc1ccc(N2CCCC2)cc1)C[C@H]1CCCO1 ZINC001325713631 1329708345 /nfs/dbraw/zinc/70/83/45/1329708345.db2.gz LXLIQTVDSBUDTM-HXUWFJFHSA-N 1 0 331.504 2.829 20 10 EFCDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)OC ZINC001326446325 1329757509 /nfs/dbraw/zinc/75/75/09/1329757509.db2.gz LILOGTMLUQSUHY-DNVCBOLYSA-N 1 0 337.483 2.728 20 10 EFCDRO CS[C@H]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC001327314118 1330458530 /nfs/dbraw/zinc/45/85/30/1330458530.db2.gz WAIDHZXICHHFAZ-IRXDYDNUSA-N 1 0 335.517 2.585 20 10 EFCDRO CS[C@@H]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC001327314110 1330458641 /nfs/dbraw/zinc/45/86/41/1330458641.db2.gz WAIDHZXICHHFAZ-DLBZAZTESA-N 1 0 335.517 2.585 20 10 EFCDRO CSCC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C(=O)N(C)C ZINC001327433433 1330477475 /nfs/dbraw/zinc/47/74/75/1330477475.db2.gz IFYYMQPUBDEOEB-KRWDZBQOSA-N 1 0 335.517 2.586 20 10 EFCDRO C[NH2+]C[C@@H](C)CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC001327839646 1330520746 /nfs/dbraw/zinc/52/07/46/1330520746.db2.gz JRXYOUBCVOCUCD-ZIAGYGMSSA-N 1 0 325.884 2.683 20 10 EFCDRO COCC1(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCCC1 ZINC001327970644 1330536624 /nfs/dbraw/zinc/53/66/24/1330536624.db2.gz GXJXHFGXLZVLEI-UHFFFAOYSA-N 1 0 349.494 2.874 20 10 EFCDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC001328579095 1330604926 /nfs/dbraw/zinc/60/49/26/1330604926.db2.gz XNJYQGGKWOWPFY-HNNXBMFYSA-N 1 0 344.484 2.530 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccnc3N(C)C)C2)cc1 ZINC001329039828 1330660177 /nfs/dbraw/zinc/66/01/77/1330660177.db2.gz RSQKCGHKWUBSFX-INIZCTEOSA-N 1 0 340.471 2.772 20 10 EFCDRO C[NH+](C)CCn1ccc(NCc2c(O)cccc2Br)n1 ZINC001329710907 1330730239 /nfs/dbraw/zinc/73/02/39/1330730239.db2.gz RHJYDSOJRMOWRC-UHFFFAOYSA-N 1 0 339.237 2.525 20 10 EFCDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C12CCC2 ZINC001331469288 1330840893 /nfs/dbraw/zinc/84/08/93/1330840893.db2.gz GUDIAUQXUUACRU-MOPGFXCFSA-N 1 0 347.478 2.625 20 10 EFCDRO CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001333337068 1331119954 /nfs/dbraw/zinc/11/99/54/1331119954.db2.gz SLNSKTZJPDRULI-SFHVURJKSA-N 1 0 346.471 2.565 20 10 EFCDRO COc1ccc(CNc2ccc(OCC[NH+](C)C)cc2)c(O)c1OC ZINC001333655657 1331188323 /nfs/dbraw/zinc/18/83/23/1331188323.db2.gz WQQYMOYPYIEDQU-UHFFFAOYSA-N 1 0 346.427 2.962 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c(O)c1OC ZINC001333824347 1331220337 /nfs/dbraw/zinc/22/03/37/1331220337.db2.gz XETCANIHPRSIJI-INIZCTEOSA-N 1 0 348.418 2.941 20 10 EFCDRO C[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H]1CC[NH3+] ZINC001335497914 1331361084 /nfs/dbraw/zinc/36/10/84/1331361084.db2.gz MHBBRIMTVCTLNT-LPHOPBHVSA-N 1 0 342.487 2.722 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001335724037 1331394897 /nfs/dbraw/zinc/39/48/97/1331394897.db2.gz DTEKKTASVOHCBD-UHFFFAOYSA-N 1 0 330.476 2.554 20 10 EFCDRO CN1CCN(c2ccc(CNc3ccccc3C[NH3+])cc2F)CC1 ZINC001336284749 1331455228 /nfs/dbraw/zinc/45/52/28/1331455228.db2.gz CNLSLKLEEBTUPS-UHFFFAOYSA-N 1 0 328.435 2.648 20 10 EFCDRO CCOc1ccc(N2CC[NH+](CCC(=O)N3CCC[C@@H]3C)CC2)cc1 ZINC001336435551 1331472943 /nfs/dbraw/zinc/47/29/43/1331472943.db2.gz OPSDSMDUJDNBRF-KRWDZBQOSA-N 1 0 345.487 2.608 20 10 EFCDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCc2ccc(N)cc2)C1 ZINC001336752872 1331499782 /nfs/dbraw/zinc/49/97/82/1331499782.db2.gz BFFPTPPZMBYYOB-GASCZTMLSA-N 1 0 332.492 2.825 20 10 EFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)cc1 ZINC001337294678 1331558568 /nfs/dbraw/zinc/55/85/68/1331558568.db2.gz ROJIBSUGJAFIDH-NWDGAFQWSA-N 1 0 331.382 2.860 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCOC(C)(C)C2)[NH+](C)C)cc1 ZINC001337459715 1331577097 /nfs/dbraw/zinc/57/70/97/1331577097.db2.gz RPOVJKDWOYJERX-SJLPKXTDSA-N 1 0 347.503 2.677 20 10 EFCDRO C[C@H](NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC001338359868 1331697827 /nfs/dbraw/zinc/69/78/27/1331697827.db2.gz XZUGVLUXWMZEBX-MAUKXSAKSA-N 1 0 330.476 2.693 20 10 EFCDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001338734684 1331731259 /nfs/dbraw/zinc/73/12/59/1331731259.db2.gz FDCFWCYZCZDPGM-QINHECLXSA-N 1 0 349.494 2.559 20 10 EFCDRO CC(C)(C)[C@H]([NH3+])CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001340183813 1332149925 /nfs/dbraw/zinc/14/99/25/1332149925.db2.gz NUGWNBHVJIVKNM-NVXWUHKLSA-N 1 0 334.460 2.663 20 10 EFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CC(C)(C)C[NH3+])cc1 ZINC001340185270 1332150397 /nfs/dbraw/zinc/15/03/97/1332150397.db2.gz SXNXGNAVVXFGDI-GOSISDBHSA-N 1 0 347.503 2.635 20 10 EFCDRO COc1ccc(N2CCC(NC(=O)[C@](C)(C[NH3+])CC(C)C)CC2)cc1 ZINC001340203818 1332153125 /nfs/dbraw/zinc/15/31/25/1332153125.db2.gz AXDZEBBGAZEMOM-FQEVSTJZSA-N 1 0 347.503 2.791 20 10 EFCDRO Cn1cc(-c2ncccc2C(=O)N2C[C@@H](CC[NH3+])c3ccccc32)cn1 ZINC001341523725 1332265484 /nfs/dbraw/zinc/26/54/84/1332265484.db2.gz AIUDVRLLNORLDA-CQSZACIVSA-N 1 0 347.422 2.575 20 10 EFCDRO CC[C@@H](C)C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001341571220 1332268580 /nfs/dbraw/zinc/26/85/80/1332268580.db2.gz MPXGRLNOLMFICU-RHSMWYFYSA-N 1 0 335.517 2.620 20 10 EFCDRO CC(C)c1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)[nH]1 ZINC001342710549 1332335593 /nfs/dbraw/zinc/33/55/93/1332335593.db2.gz YWXDEJUNZZTKLU-QGZVFWFLSA-N 1 0 343.475 2.632 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)c(N)c2)[NH+](C)C)cc1 ZINC001345646376 1332555153 /nfs/dbraw/zinc/55/51/53/1332555153.db2.gz LOXQXKGDYSPAOM-SFHVURJKSA-N 1 0 344.434 2.507 20 10 EFCDRO C[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1F ZINC001345811383 1332575249 /nfs/dbraw/zinc/57/52/49/1332575249.db2.gz HOQVMYTXHAFFCZ-KZULUSFZSA-N 1 0 347.409 2.951 20 10 EFCDRO C[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@H]1CC[NH3+] ZINC001346252409 1332618112 /nfs/dbraw/zinc/61/81/12/1332618112.db2.gz UQLBKRHURLODMA-CJNGLKHVSA-N 1 0 336.455 2.551 20 10 EFCDRO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCc3ccc(N(C)C)c(F)c3)C[N@@H+]2C1 ZINC001346375500 1332631806 /nfs/dbraw/zinc/63/18/06/1332631806.db2.gz RMKCHDWVLLQJDO-VNQPRFMTSA-N 1 0 333.451 2.628 20 10 EFCDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001347236596 1332726232 /nfs/dbraw/zinc/72/62/32/1332726232.db2.gz AEUXOXDJNOEPJQ-HXUWFJFHSA-N 1 0 349.494 2.562 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)[nH]2)[NH+](C)C)cc1 ZINC001348013680 1332793407 /nfs/dbraw/zinc/79/34/07/1332793407.db2.gz ZNHSPTTZISHNRX-OAHLLOKOSA-N 1 0 334.851 2.767 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+]CC[C@H](O)C3CCCC3)cc2F)CC1 ZINC001348547594 1332846982 /nfs/dbraw/zinc/84/69/82/1332846982.db2.gz FOEGEPCMJRDYFD-FQEVSTJZSA-N 1 0 349.494 2.608 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001349332708 1332939312 /nfs/dbraw/zinc/93/93/12/1332939312.db2.gz ZTFWMKWQCZXMLE-GOSISDBHSA-N 1 0 332.492 2.768 20 10 EFCDRO CCOC(=O)c1cc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)[nH]n1 ZINC001349410182 1332949177 /nfs/dbraw/zinc/94/91/77/1332949177.db2.gz PSFDLTJUKSHMBX-AWEZNQCLSA-N 1 0 344.459 2.682 20 10 EFCDRO CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001349448362 1332954497 /nfs/dbraw/zinc/95/44/97/1332954497.db2.gz ZDVUDLUDILJCPY-KRWDZBQOSA-N 1 0 331.460 2.743 20 10 EFCDRO C[C@H](Cc1ccccn1)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001349838231 1333003674 /nfs/dbraw/zinc/00/36/74/1333003674.db2.gz HMXPENOGWPODOR-MRXNPFEDSA-N 1 0 342.462 2.693 20 10 EFCDRO COc1cc(C)cc(C[N@H+](C)C[C@@H](O)COCc2ccccc2)c1O ZINC001350308950 1333062451 /nfs/dbraw/zinc/06/24/51/1333062451.db2.gz CAPNSOLOQNCIIG-GOSISDBHSA-N 1 0 345.439 2.719 20 10 EFCDRO CCOC(=O)CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)C(C)C ZINC000847082174 1333314699 /nfs/dbraw/zinc/31/46/99/1333314699.db2.gz ADNWCDNDDWLIJQ-UHFFFAOYSA-N 1 0 325.380 2.898 20 10 EFCDRO COc1ccc(C[NH2+]CCn2cnc3ccccc32)c(O)c1OC ZINC001351975642 1333339504 /nfs/dbraw/zinc/33/95/04/1333339504.db2.gz USUFFIRJJWKEEC-UHFFFAOYSA-N 1 0 327.384 2.549 20 10 EFCDRO C[C@H](Cc1cccnc1)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001352098440 1333385377 /nfs/dbraw/zinc/38/53/77/1333385377.db2.gz HKSJOIGDYXYWFP-MRXNPFEDSA-N 1 0 342.462 2.693 20 10 EFCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000847296130 1333497492 /nfs/dbraw/zinc/49/74/92/1333497492.db2.gz BEJAYMUMQRJOSC-LJQANCHMSA-N 1 0 337.467 2.891 20 10 EFCDRO CN(C)c1ccc(CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000847296129 1333497628 /nfs/dbraw/zinc/49/76/28/1333497628.db2.gz BEJAYMUMQRJOSC-IBGZPJMESA-N 1 0 337.467 2.891 20 10 EFCDRO CC[C@H](C)OCC(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001200131358 1333722643 /nfs/dbraw/zinc/72/26/43/1333722643.db2.gz WXELYDOOSZCHDO-INIZCTEOSA-N 1 0 348.487 2.899 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000847443679 1333725500 /nfs/dbraw/zinc/72/55/00/1333725500.db2.gz URPCLJZGRQWJNF-RBUKOAKNSA-N 1 0 344.503 2.911 20 10 EFCDRO O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847446624 1333731088 /nfs/dbraw/zinc/73/10/88/1333731088.db2.gz IHMNMDDEBPSOEU-HUUCEWRRSA-N 1 0 337.851 2.862 20 10 EFCDRO COc1cccc(CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1O ZINC000847589406 1333957969 /nfs/dbraw/zinc/95/79/69/1333957969.db2.gz IZVUIWVWBIHAMB-KRWDZBQOSA-N 1 0 340.423 2.539 20 10 EFCDRO COc1ccc(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000848022659 1334167585 /nfs/dbraw/zinc/16/75/85/1334167585.db2.gz GJHSLTLQHHFGKR-QGZVFWFLSA-N 1 0 340.423 2.539 20 10 EFCDRO CCC[C@@H](OC)C(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001100562541 1334293980 /nfs/dbraw/zinc/29/39/80/1334293980.db2.gz QQFAMUFAYVZOJJ-FAFZWHIHSA-N 1 0 348.487 2.803 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H](F)C(C)C)C2)cc1C ZINC001100588890 1334352323 /nfs/dbraw/zinc/35/23/23/1334352323.db2.gz IHLRYDVMIJBULB-HTWSVDAQSA-N 1 0 336.451 2.982 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@H](F)C(C)C)C2)cc1C ZINC001100588891 1334352604 /nfs/dbraw/zinc/35/26/04/1334352604.db2.gz IHLRYDVMIJBULB-LEOMRAHMSA-N 1 0 336.451 2.982 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@H](OC)C(C)C)C2)cc1C ZINC001100642565 1334471174 /nfs/dbraw/zinc/47/11/74/1334471174.db2.gz DCBMPDOZXFQYHH-FAFZWHIHSA-N 1 0 348.487 2.659 20 10 EFCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000848407515 1334710740 /nfs/dbraw/zinc/71/07/40/1334710740.db2.gz QORMQILSERFXRJ-ICSRJNTNSA-N 1 0 329.488 2.881 20 10 EFCDRO CCOC(=O)CC[N@H+](Cc1cc(OC)c(OC)cc1O)C(C)C ZINC000848502192 1334758973 /nfs/dbraw/zinc/75/89/73/1334758973.db2.gz PJTZNXKFGYJBSZ-UHFFFAOYSA-N 1 0 325.405 2.573 20 10 EFCDRO Cc1ncncc1[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000848520163 1334770830 /nfs/dbraw/zinc/77/08/30/1334770830.db2.gz GZGGYEJFYZYDNO-CYBMUJFWSA-N 1 0 330.407 2.612 20 10 EFCDRO c1csc(SCCC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)n1 ZINC000848529330 1334775783 /nfs/dbraw/zinc/77/57/83/1334775783.db2.gz SIZKTVQEDRRODJ-HNNXBMFYSA-N 1 0 341.546 2.858 20 10 EFCDRO Cc1ncncc1[C@@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000848553851 1334792235 /nfs/dbraw/zinc/79/22/35/1334792235.db2.gz YTVWPEMMZAHZOW-GFCCVEGCSA-N 1 0 348.397 2.751 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3ccccc3NC2=O)cc1F ZINC000848561255 1334795655 /nfs/dbraw/zinc/79/56/55/1334795655.db2.gz SSCLHHVDWUMRQW-KRWDZBQOSA-N 1 0 327.403 2.935 20 10 EFCDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000848567320 1334797956 /nfs/dbraw/zinc/79/79/56/1334797956.db2.gz SMFKQIDOXYNHQE-HNNXBMFYSA-N 1 0 329.419 2.778 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000848574408 1334801809 /nfs/dbraw/zinc/80/18/09/1334801809.db2.gz DWBLVLWRPGRPRP-WOJBJXKFSA-N 1 0 329.488 2.630 20 10 EFCDRO COc1ccc(F)cc1CN1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001356082662 1334950127 /nfs/dbraw/zinc/95/01/27/1334950127.db2.gz BGRVZADOYVHBHK-UHFFFAOYSA-N 1 0 329.419 2.734 20 10 EFCDRO CCCC[N@H+](Cc1cccc(CC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000848880260 1334957565 /nfs/dbraw/zinc/95/75/65/1334957565.db2.gz MROOEOSITBACAW-INIZCTEOSA-N 1 0 325.474 2.744 20 10 EFCDRO CCc1cccc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)c1O ZINC000848881990 1334959265 /nfs/dbraw/zinc/95/92/65/1334959265.db2.gz WDSQXCMNKOFBRA-UHFFFAOYSA-N 1 0 338.451 2.842 20 10 EFCDRO CCc1cccc(C[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)c1O ZINC000848894710 1334967045 /nfs/dbraw/zinc/96/70/45/1334967045.db2.gz HKXGPLVJWABDQY-CQSZACIVSA-N 1 0 337.366 2.762 20 10 EFCDRO CCc1cccc(C[NH2+]CCCNC(=O)c2cccc(O)c2)c1O ZINC000848895045 1334968446 /nfs/dbraw/zinc/96/84/46/1334968446.db2.gz OKTINEOLNNKUJR-UHFFFAOYSA-N 1 0 328.412 2.570 20 10 EFCDRO CCc1cccc(C[NH2+][C@H]2CCN(c3ccccc3OC)C2=O)c1O ZINC000848897782 1334969112 /nfs/dbraw/zinc/96/91/12/1334969112.db2.gz LTMRTDVONXACSO-INIZCTEOSA-N 1 0 340.423 2.858 20 10 EFCDRO CCc1cccc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1O ZINC000848906361 1334977011 /nfs/dbraw/zinc/97/70/11/1334977011.db2.gz VDPPDLXUWUIGJM-UHFFFAOYSA-N 1 0 325.455 2.709 20 10 EFCDRO CCc1cccc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)c1O ZINC000848907082 1334977084 /nfs/dbraw/zinc/97/70/84/1334977084.db2.gz IDHDQAFPZUZICB-QGZVFWFLSA-N 1 0 331.460 2.532 20 10 EFCDRO CCc1cccc(C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)c1O ZINC000848912732 1334980903 /nfs/dbraw/zinc/98/09/03/1334980903.db2.gz JUNWGGVQTJPCEL-HNNXBMFYSA-N 1 0 328.387 2.989 20 10 EFCDRO CCc1cccc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)c1O ZINC000848916165 1334983931 /nfs/dbraw/zinc/98/39/31/1334983931.db2.gz DSIPSLNAJKWHGD-QGZVFWFLSA-N 1 0 328.387 2.989 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000848920456 1334986722 /nfs/dbraw/zinc/98/67/22/1334986722.db2.gz GRTGKMCDRWUJAA-SFHVURJKSA-N 1 0 329.488 2.798 20 10 EFCDRO COCCN(Cc1c([O-])ccc(Cl)c1F)C[C@H](O)C(F)(F)F ZINC000848922476 1334988279 /nfs/dbraw/zinc/98/82/79/1334988279.db2.gz UAVWBUTZWAEWET-NSHDSACASA-N 1 0 345.720 2.556 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](OC4CCC4)C3)cc2)CC1 ZINC000848925020 1334990926 /nfs/dbraw/zinc/99/09/26/1334990926.db2.gz LDNPQAYBNOPIOT-NRFANRHFSA-N 1 0 343.515 2.972 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC(Oc3ncc(C)cn3)CC2)c1O ZINC000848925035 1334991180 /nfs/dbraw/zinc/99/11/80/1334991180.db2.gz LLPAVLRNKYSLBS-UHFFFAOYSA-N 1 0 343.427 2.933 20 10 EFCDRO CCC(C)(C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000848925344 1334991283 /nfs/dbraw/zinc/99/12/83/1334991283.db2.gz TVHBKQSILBNBTR-UHFFFAOYSA-N 1 0 337.420 2.615 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C)cc1OC ZINC000848926900 1334992320 /nfs/dbraw/zinc/99/23/20/1334992320.db2.gz HNZKGHUTAJDKDK-AWEZNQCLSA-N 1 0 339.432 2.865 20 10 EFCDRO COc1ccc(CNC(=O)NCCCCCC2CC[NH2+]CC2)c(O)c1 ZINC001357560347 1335315405 /nfs/dbraw/zinc/31/54/05/1335315405.db2.gz LIRZOBVPHPLIRO-UHFFFAOYSA-N 1 0 349.475 2.760 20 10 EFCDRO CCc1nc(C(=O)NCC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001713407133 1418512086 /nfs/dbraw/zinc/51/20/86/1418512086.db2.gz VGITWAHAKUUWIW-AWEZNQCLSA-N 1 0 345.443 2.852 20 10 EFCDRO CCc1nocc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001020557676 713176631 /nfs/dbraw/zinc/17/66/31/713176631.db2.gz VGXMUIHJAVNRHO-SHTZXODSSA-N 1 0 343.427 2.605 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCc3cccs3)cc2)CC1 ZINC000049740679 713446742 /nfs/dbraw/zinc/44/67/42/713446742.db2.gz DZFYREACTUBGFW-UHFFFAOYSA-N 1 0 343.496 2.749 20 10 EFCDRO CC[C@@H]1CC[C@@H]1[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000806127440 713448883 /nfs/dbraw/zinc/44/88/83/713448883.db2.gz FALSQAXXLXIOAX-XLIONFOSSA-N 1 0 331.504 2.986 20 10 EFCDRO CSCC[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C(=O)N(C)C ZINC000806663012 713470302 /nfs/dbraw/zinc/47/03/02/713470302.db2.gz RKJKBTUFTSITCG-WXHSDQCUSA-N 1 0 340.464 2.879 20 10 EFCDRO Cc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c(O)c1O ZINC000177659942 713891613 /nfs/dbraw/zinc/89/16/13/713891613.db2.gz QQYZJUOKIALULH-HNNXBMFYSA-N 1 0 332.375 2.578 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]cc3C)C2)cc1C ZINC000970708476 713922301 /nfs/dbraw/zinc/92/23/01/713922301.db2.gz SBULMYZSCSIABE-MRXNPFEDSA-N 1 0 327.428 2.644 20 10 EFCDRO CCn1cccc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000970726989 713936960 /nfs/dbraw/zinc/93/69/60/713936960.db2.gz CKJNVFAEPKZIRU-QGZVFWFLSA-N 1 0 341.455 2.829 20 10 EFCDRO Cc1cnc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)c1 ZINC000891243659 714127143 /nfs/dbraw/zinc/12/71/43/714127143.db2.gz RSHAHXJPTWMRCQ-GOSISDBHSA-N 1 0 340.471 2.797 20 10 EFCDRO CCCc1nc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)co1 ZINC000891246769 714133156 /nfs/dbraw/zinc/13/31/56/714133156.db2.gz DDYRZOQLZSJVFU-QGZVFWFLSA-N 1 0 344.459 2.726 20 10 EFCDRO CCCc1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)co1 ZINC000891246768 714133236 /nfs/dbraw/zinc/13/32/36/714133236.db2.gz DDYRZOQLZSJVFU-KRWDZBQOSA-N 1 0 344.459 2.726 20 10 EFCDRO CC(=O)CC(C)(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246370 714133483 /nfs/dbraw/zinc/13/34/83/714133483.db2.gz BPVUKUZPKPUKQD-SFHVURJKSA-N 1 0 347.503 2.867 20 10 EFCDRO CC(=O)CC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCC1 ZINC000891247178 714134848 /nfs/dbraw/zinc/13/48/48/714134848.db2.gz GPYHKFYEPLGLEA-GOSISDBHSA-N 1 0 345.487 2.621 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cnc(C3CC3)o2)[NH+](C)C)cc1 ZINC000891248244 714137469 /nfs/dbraw/zinc/13/74/69/714137469.db2.gz XEHKLGIWDQYRAR-INIZCTEOSA-N 1 0 342.443 2.651 20 10 EFCDRO CCC[C@@H](OCC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248254 714137493 /nfs/dbraw/zinc/13/74/93/714137493.db2.gz XFULUQMRSQUZRE-QZTJIDSGSA-N 1 0 335.492 2.677 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)CCc2ccoc2)[NH+](C)C)cc1 ZINC000891250479 714140618 /nfs/dbraw/zinc/14/06/18/714140618.db2.gz ABNHGKWJFFLVMN-SFHVURJKSA-N 1 0 329.444 2.697 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)CCc2ccoc2)[NH+](C)C)cc1 ZINC000891250478 714140746 /nfs/dbraw/zinc/14/07/46/714140746.db2.gz ABNHGKWJFFLVMN-GOSISDBHSA-N 1 0 329.444 2.697 20 10 EFCDRO C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(F)(F)F ZINC000891250483 714140816 /nfs/dbraw/zinc/14/08/16/714140816.db2.gz AGQZMPHWMVFSSH-FZMZJTMJSA-N 1 0 331.382 2.670 20 10 EFCDRO Cc1nscc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250039 714141545 /nfs/dbraw/zinc/14/15/45/714141545.db2.gz YDQJFGPHNXGABD-MRXNPFEDSA-N 1 0 332.473 2.550 20 10 EFCDRO C[C@@H]1CC[C@@H](CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)O1 ZINC000891251990 714142961 /nfs/dbraw/zinc/14/29/61/714142961.db2.gz JFABHMIGMTXOAU-MNEFBYGVSA-N 1 0 347.503 2.819 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)C(C2CC2)C2CC2)[NH+](C)C)cc1 ZINC000891251026 714143840 /nfs/dbraw/zinc/14/38/40/714143840.db2.gz BWKHZLZFECRVIJ-GOSISDBHSA-N 1 0 329.488 2.908 20 10 EFCDRO Cc1cc(C)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000891252821 714146270 /nfs/dbraw/zinc/14/62/70/714146270.db2.gz NYIRYTIMXXDNHM-QGZVFWFLSA-N 1 0 329.444 2.995 20 10 EFCDRO CC(C)n1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891253123 714146565 /nfs/dbraw/zinc/14/65/65/714146565.db2.gz QWBQVVNTFWDXOI-SFHVURJKSA-N 1 0 343.475 2.563 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[NH+](C)C)cc1 ZINC000891252379 714146833 /nfs/dbraw/zinc/14/68/33/714146833.db2.gz KGDMDKFPUUEPDX-ZSYWTGECSA-N 1 0 329.488 2.908 20 10 EFCDRO Cc1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000891255955 714150602 /nfs/dbraw/zinc/15/06/02/714150602.db2.gz UAHSNZTWTNSABV-OAHLLOKOSA-N 1 0 332.473 2.550 20 10 EFCDRO Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)n1C ZINC000891255502 714151749 /nfs/dbraw/zinc/15/17/49/714151749.db2.gz QMCNNYXJUFMDHS-IBGZPJMESA-N 1 0 342.487 2.741 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2ccccc2F)[NH+](C)C)cc1 ZINC000891258424 714153407 /nfs/dbraw/zinc/15/34/07/714153407.db2.gz SMQYARFLEQKOCU-IBGZPJMESA-N 1 0 343.446 2.853 20 10 EFCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(N(C)C)cc1 ZINC000177247689 717956448 /nfs/dbraw/zinc/95/64/48/717956448.db2.gz MSUQXVDJCVBCMC-MSOLQXFVSA-N 1 0 330.476 2.521 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)c3ccn[nH]3)C2)cc1C ZINC000980936723 717974689 /nfs/dbraw/zinc/97/46/89/717974689.db2.gz YRWLVIHQJNFMRO-HZPDHXFCSA-N 1 0 342.443 2.558 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(C)n3C)C2)cc1C ZINC001021837328 714551914 /nfs/dbraw/zinc/55/19/14/714551914.db2.gz MKSCLWNWQPPJTO-CALCHBBNSA-N 1 0 341.455 2.701 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cnc(C)s3)C2)cc1C ZINC001021884417 714580888 /nfs/dbraw/zinc/58/08/88/714580888.db2.gz FGSNJMUKFLXGGE-GASCZTMLSA-N 1 0 345.468 2.819 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000891389660 714596269 /nfs/dbraw/zinc/59/62/69/714596269.db2.gz BNKXNXQBUJUMNX-BCDXTJNWSA-N 1 0 344.503 2.863 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC3CCOCC3)C2)cc1C ZINC001021914397 714596751 /nfs/dbraw/zinc/59/67/51/714596751.db2.gz VGZNYVJSDKQFDA-HDICACEKSA-N 1 0 346.471 2.557 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)cc1C ZINC001021940760 714606546 /nfs/dbraw/zinc/60/65/46/714606546.db2.gz DIUWWSZBHUBZFX-BDJZZAGISA-N 1 0 328.456 2.787 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3ccc(C)o3)C2)cc1C ZINC001021982703 714628274 /nfs/dbraw/zinc/62/82/74/714628274.db2.gz CFYAANDRBDZXNR-CALCHBBNSA-N 1 0 342.439 2.885 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCO[C@H]3C)C2)cc1C ZINC001022018448 714653230 /nfs/dbraw/zinc/65/32/30/714653230.db2.gz WBFGCMWRNOMUMH-OWLYRPNTSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCO[C@H]3C)C2)cc1C ZINC001022018446 714653260 /nfs/dbraw/zinc/65/32/60/714653260.db2.gz WBFGCMWRNOMUMH-DZJNRPSUSA-N 1 0 346.471 2.556 20 10 EFCDRO CCc1[nH]ccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001022040592 714682952 /nfs/dbraw/zinc/68/29/52/714682952.db2.gz ARRXHCASGZPDOW-IYBDPMFKSA-N 1 0 341.455 2.945 20 10 EFCDRO CN(c1ccc(CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1)C1CCCCC1 ZINC000891444369 714701101 /nfs/dbraw/zinc/70/11/01/714701101.db2.gz CMDWYINQIPDRDK-QAQDUYKDSA-N 1 0 344.503 2.992 20 10 EFCDRO Cc1cc(F)ncc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000891526104 714800544 /nfs/dbraw/zinc/80/05/44/714800544.db2.gz IRMGHTLBNZIHRW-UHFFFAOYSA-N 1 0 329.419 2.998 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)CC[NH2+]C(C)C ZINC000121494877 714858699 /nfs/dbraw/zinc/85/86/99/714858699.db2.gz QLNDKESOLAHSSF-UHFFFAOYSA-N 1 0 343.265 2.891 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000326417687 714898228 /nfs/dbraw/zinc/89/82/28/714898228.db2.gz ROZNRNRJCKUIFQ-FQEVSTJZSA-N 1 0 337.467 2.988 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)C(F)F)C2)cc1C ZINC000980281335 718016193 /nfs/dbraw/zinc/01/61/93/718016193.db2.gz YYYNUBXCWFMFOS-JSGCOSHPSA-N 1 0 326.387 2.595 20 10 EFCDRO CC(C)(CN1CCOCC1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000308638362 714953706 /nfs/dbraw/zinc/95/37/06/714953706.db2.gz GIVMBSCDDSLAMJ-UHFFFAOYSA-N 1 0 331.504 2.877 20 10 EFCDRO COc1ccccc1OCC[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000891704841 714964133 /nfs/dbraw/zinc/96/41/33/714964133.db2.gz LAIOMJKJISYOLO-UHFFFAOYSA-N 1 0 347.411 2.929 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)NC(C2CC2)C2CC2)[NH+](C)C)cc1 ZINC000891723910 714977892 /nfs/dbraw/zinc/97/78/92/714977892.db2.gz SRZKXEXCLKPPHI-SFHVURJKSA-N 1 0 344.503 2.843 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c(O)c1OC ZINC000891755009 714998860 /nfs/dbraw/zinc/99/88/60/714998860.db2.gz SGQFNDZABGAWAY-ZDUSSCGKSA-N 1 0 331.416 2.523 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[C@@H](OC)C3)C2)cc1C ZINC001022328603 715013237 /nfs/dbraw/zinc/01/32/37/715013237.db2.gz RXBVPIMLWLVHEH-ZJPYXAASSA-N 1 0 346.471 2.556 20 10 EFCDRO C[C@H](NC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)c1ccc(N(C)C)cc1 ZINC000891814727 715036988 /nfs/dbraw/zinc/03/69/88/715036988.db2.gz UDBDTUPLIGZTGD-JXFKEZNVSA-N 1 0 344.503 2.989 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@]3(C)CCO[C@H]3C)C2)cc1C ZINC001022481758 715177337 /nfs/dbraw/zinc/17/73/37/715177337.db2.gz CVHDPXXLNQJFTN-UJAMICLKSA-N 1 0 346.471 2.556 20 10 EFCDRO COC(=O)C[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)C(C)(C)C ZINC000934033196 715181869 /nfs/dbraw/zinc/18/18/69/715181869.db2.gz WXRFJZGZNNMPFD-CQSZACIVSA-N 1 0 325.380 2.801 20 10 EFCDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000326738626 715220533 /nfs/dbraw/zinc/22/05/33/715220533.db2.gz ULGCDFMRMUMFJY-INIZCTEOSA-N 1 0 328.412 2.911 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)cc1C ZINC001022577548 715225769 /nfs/dbraw/zinc/22/57/69/715225769.db2.gz NSKULTUFDVGQEQ-ZCXOYBSLSA-N 1 0 328.456 2.787 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c(O)c1OC ZINC000892223235 715373027 /nfs/dbraw/zinc/37/30/27/715373027.db2.gz HBNJZTHBTGOVAQ-ZFWWWQNUSA-N 1 0 331.416 2.689 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC34CC4)C2)cc1C ZINC001027088269 715520554 /nfs/dbraw/zinc/52/05/54/715520554.db2.gz JFOUUPKLMWQNGV-IRXDYDNUSA-N 1 0 328.456 2.742 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)cc1C ZINC001027078800 715522269 /nfs/dbraw/zinc/52/22/69/715522269.db2.gz NUSSODYJNRZZKG-HHXXYDBFSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ncccc3F)C2)cc1C ZINC001022888274 715882633 /nfs/dbraw/zinc/88/26/33/715882633.db2.gz GBJOVVQFKLHIIR-GASCZTMLSA-N 1 0 343.402 2.588 20 10 EFCDRO [O-]c1c(F)cc(Br)cc1C[NH2+]CCO[C@@H]1CCCCO1 ZINC000894795197 722848883 /nfs/dbraw/zinc/84/88/83/722848883.db2.gz SYLUNICULHCLJK-CYBMUJFWSA-N 1 0 348.212 2.927 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+]CCO[C@@H]1CCCCO1 ZINC000894793260 722852146 /nfs/dbraw/zinc/85/21/46/722852146.db2.gz HXTZTBDTIMRIKW-CQSZACIVSA-N 1 0 330.222 2.788 20 10 EFCDRO CC[C@@H]([NH2+][C@@H]1COCC[C@H]1OC)c1cc(Br)ccc1O ZINC000724886518 716318112 /nfs/dbraw/zinc/31/81/12/716318112.db2.gz HXEHDJDHBBPROQ-UMVBOHGHSA-N 1 0 344.249 2.999 20 10 EFCDRO Cc1cc(Br)cc(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1O ZINC000141913939 723475332 /nfs/dbraw/zinc/47/53/32/723475332.db2.gz WQYHBHIFAIQADU-TXEJJXNPSA-N 1 0 327.266 2.988 20 10 EFCDRO CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C(C)(C)C1 ZINC000977660518 716452894 /nfs/dbraw/zinc/45/28/94/716452894.db2.gz LXNFMPIQBWUYHZ-CQSZACIVSA-N 1 0 331.420 2.699 20 10 EFCDRO CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001027698922 716561527 /nfs/dbraw/zinc/56/15/27/716561527.db2.gz UPJJYWUQXYSBFY-OAHLLOKOSA-N 1 0 331.420 2.795 20 10 EFCDRO CCCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000979142727 716748043 /nfs/dbraw/zinc/74/80/43/716748043.db2.gz LKQXKPMELBFEAQ-CRAIPNDOSA-N 1 0 334.460 2.509 20 10 EFCDRO C[C@H]1C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c2c1c(F)ccc2O ZINC000840875326 716795617 /nfs/dbraw/zinc/79/56/17/716795617.db2.gz CUFMGAKZRWJSAD-CMPLNLGQSA-N 1 0 329.437 2.883 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)C3(C)CC3)CCO2)cc1C ZINC000979296153 716901286 /nfs/dbraw/zinc/90/12/86/716901286.db2.gz LSDIRUNHESNEJT-YJBOKZPZSA-N 1 0 346.471 2.509 20 10 EFCDRO CC[C@H]([NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000162833407 716908211 /nfs/dbraw/zinc/90/82/11/716908211.db2.gz BJIHPPIRVFEXMF-FQEVSTJZSA-N 1 0 331.504 2.986 20 10 EFCDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001023770464 716991529 /nfs/dbraw/zinc/99/15/29/716991529.db2.gz ZWWHEXWXXINBSR-AWEZNQCLSA-N 1 0 345.447 2.947 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)C(F)F)C2)cc1C ZINC001023790546 717028378 /nfs/dbraw/zinc/02/83/78/717028378.db2.gz GDXDVWNCVOYMKO-CQSZACIVSA-N 1 0 326.387 2.597 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)C(C)(F)F)C2)cc1C ZINC001023800293 717044490 /nfs/dbraw/zinc/04/44/90/717044490.db2.gz CAQWCJPHIUFLSK-HNNXBMFYSA-N 1 0 340.414 2.987 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)CSC)C2)cc1C ZINC001023825548 717072267 /nfs/dbraw/zinc/07/22/67/717072267.db2.gz BSTNCVHCPKNUMD-INIZCTEOSA-N 1 0 336.501 2.695 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)c3ccon3)C2)cc1C ZINC000980410208 717227009 /nfs/dbraw/zinc/22/70/09/717227009.db2.gz MUBNYTKMGLOUFD-GDBMZVCRSA-N 1 0 343.427 2.632 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCn2ccc(C(F)(F)F)n2)c1O ZINC000895474176 724152278 /nfs/dbraw/zinc/15/22/78/724152278.db2.gz MXHBNUONAJZQPO-UHFFFAOYSA-N 1 0 329.322 2.714 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)c3cnco3)C2)cc1C ZINC001024085837 717308914 /nfs/dbraw/zinc/30/89/14/717308914.db2.gz ZHNKEZKWOLNTNR-MRXNPFEDSA-N 1 0 343.427 2.634 20 10 EFCDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000162892244 717345441 /nfs/dbraw/zinc/34/54/41/717345441.db2.gz VSDKWEYVEDRLCH-GOSISDBHSA-N 1 0 346.519 2.920 20 10 EFCDRO C/C(=C\c1ccco1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893608246 717375982 /nfs/dbraw/zinc/37/59/82/717375982.db2.gz UFUUHNRYIWFXGF-JQIJEIRASA-N 1 0 339.439 2.751 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)c(O)c1OC ZINC000892438217 717459626 /nfs/dbraw/zinc/45/96/26/717459626.db2.gz GJBUZMAFTLUPCR-KRWDZBQOSA-N 1 0 342.439 2.774 20 10 EFCDRO COc1ccc(CC[NH2+]Cc2ccc(OC)c(OC)c2O)cc1OC ZINC000892441958 717473781 /nfs/dbraw/zinc/47/37/81/717473781.db2.gz VNAHWHJLLUPGHL-UHFFFAOYSA-N 1 0 347.411 2.759 20 10 EFCDRO C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000105476348 717488313 /nfs/dbraw/zinc/48/83/13/717488313.db2.gz RNZOEFAUHWRLQN-UHFFFAOYSA-N 1 0 346.302 2.816 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)c3cnco3)C2)cc1C ZINC000980665051 717566021 /nfs/dbraw/zinc/56/60/21/717566021.db2.gz IUAGRPOACKXLTA-GDBMZVCRSA-N 1 0 343.427 2.632 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H](C[NH2+]CC3CC3)C2)cc1 ZINC001024282490 717568600 /nfs/dbraw/zinc/56/86/00/717568600.db2.gz OUSKHCKHWKJXOU-AWEZNQCLSA-N 1 0 343.431 2.701 20 10 EFCDRO O=C(Cc1ccccc1Cl)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179563798 717788839 /nfs/dbraw/zinc/78/88/39/717788839.db2.gz XXTGSCFLTUXDST-UHFFFAOYSA-N 1 0 344.842 2.933 20 10 EFCDRO C[C@@H]1C[C@@H](C[NH2+]CC2CC2)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000980816481 717796671 /nfs/dbraw/zinc/79/66/71/717796671.db2.gz DZWJVDGWZZJPOG-OCCSQVGLSA-N 1 0 343.431 2.699 20 10 EFCDRO COc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000005097761 718057570 /nfs/dbraw/zinc/05/75/70/718057570.db2.gz HGAURWNLLGWOST-SFHVURJKSA-N 1 0 341.455 2.794 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)c3ncc[nH]3)C2)cc1C ZINC000981075040 718110361 /nfs/dbraw/zinc/11/03/61/718110361.db2.gz HHXIWKMDENQMJP-CVEARBPZSA-N 1 0 342.443 2.558 20 10 EFCDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000066191449 718144670 /nfs/dbraw/zinc/14/46/70/718144670.db2.gz AKKSKRDVNPXDEJ-HNNXBMFYSA-N 1 0 332.492 2.599 20 10 EFCDRO COc1cccc(CC[NH2+]Cc2ccc(OC)c(OC)c2O)c1OC ZINC000892622417 718350464 /nfs/dbraw/zinc/35/04/64/718350464.db2.gz LBUTUVDYKIJLBS-UHFFFAOYSA-N 1 0 347.411 2.759 20 10 EFCDRO Cc1cc(O)c(CNc2ccc(N3CC[NH+](C)CC3)nc2)cc1C ZINC000162908537 718367116 /nfs/dbraw/zinc/36/71/16/718367116.db2.gz RJQXKEAFAHFEHO-UHFFFAOYSA-N 1 0 326.444 2.768 20 10 EFCDRO CC(C)[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001025171906 718398130 /nfs/dbraw/zinc/39/81/30/718398130.db2.gz VAEPCDBKIXXEFA-OAHLLOKOSA-N 1 0 331.420 2.842 20 10 EFCDRO COc1cc(C(=O)N[C@H]2CCC[C@H]([NH2+]CC3CCC3)C2)cc(OC)n1 ZINC000981198899 718492994 /nfs/dbraw/zinc/49/29/94/718492994.db2.gz LMJWFCLCWARDJK-HOTGVXAUSA-N 1 0 347.459 2.530 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)c3cnco3)C2)cc1C ZINC000981255661 718571422 /nfs/dbraw/zinc/57/14/22/718571422.db2.gz ZLFIBHRESYYGLE-JKSUJKDBSA-N 1 0 343.427 2.822 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC3CC3)C2)cc1 ZINC000981542981 718801210 /nfs/dbraw/zinc/80/12/10/718801210.db2.gz YPOSRLCBDUDHKK-CVEARBPZSA-N 1 0 343.431 2.890 20 10 EFCDRO COc1ccc(C[NH2+]CCN2c3ccccc3C[C@H]2C)c(O)c1OC ZINC000892706886 718873236 /nfs/dbraw/zinc/87/32/36/718873236.db2.gz XWURVQUBCZRTEQ-CQSZACIVSA-N 1 0 342.439 2.950 20 10 EFCDRO C[N@@H+]1CCCC[C@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000893645082 719066040 /nfs/dbraw/zinc/06/60/40/719066040.db2.gz GQRSIHGRQDHHSH-CYBMUJFWSA-N 1 0 342.534 2.656 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3ccoc3)[C@@H]2C)cc1C ZINC000986181394 724563508 /nfs/dbraw/zinc/56/35/08/724563508.db2.gz RSXQAVKFRHTLQP-CRAIPNDOSA-N 1 0 342.439 2.918 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cccc(C)n3)C2)cc1C ZINC001019995900 719419810 /nfs/dbraw/zinc/41/98/10/719419810.db2.gz NSHOHRQKYFCXBI-QAQDUYKDSA-N 1 0 339.439 2.758 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccccc3O)C2)cc1C ZINC001019997784 719421067 /nfs/dbraw/zinc/42/10/67/719421067.db2.gz WDIFBULXDUPNSW-WKILWMFISA-N 1 0 340.423 2.760 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)C(F)F)C[C@@H]23)cc1C ZINC001026160911 719826049 /nfs/dbraw/zinc/82/60/49/719826049.db2.gz ITTHIQUXBXAVEG-RBSFLKMASA-N 1 0 338.398 2.595 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)CSC)C[C@H]23)cc1C ZINC001026189709 719882951 /nfs/dbraw/zinc/88/29/51/719882951.db2.gz WVSMTNRDAVHWOJ-IXDOHACOSA-N 1 0 348.512 2.693 20 10 EFCDRO CCS(=O)(=O)CCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000840973008 719898151 /nfs/dbraw/zinc/89/81/51/719898151.db2.gz AUGIKHMKHJXNNQ-UHFFFAOYSA-N 1 0 333.453 2.974 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc[nH]c3)[C@@H]2C)cc1C ZINC000986294397 724631139 /nfs/dbraw/zinc/63/11/39/724631139.db2.gz LXEKLQFSAUKGCA-PBHICJAKSA-N 1 0 327.428 2.725 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc[nH]c3)[C@H]2C)cc1C ZINC000986294403 724631162 /nfs/dbraw/zinc/63/11/62/724631162.db2.gz LXEKLQFSAUKGCA-YOEHRIQHSA-N 1 0 327.428 2.725 20 10 EFCDRO C[C@@H](CN1CCCCC1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000237498313 720005835 /nfs/dbraw/zinc/00/58/35/720005835.db2.gz IYPDAXVNNHOJAP-INIZCTEOSA-N 1 0 335.467 2.626 20 10 EFCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000183469636 720252596 /nfs/dbraw/zinc/25/25/96/720252596.db2.gz LSIFIPKPPWKSPY-ZDUSSCGKSA-N 1 0 328.412 2.520 20 10 EFCDRO COc1cc(C)cc(C[NH+]2CCC(N(C)CC(F)F)CC2)c1O ZINC000894070884 720266469 /nfs/dbraw/zinc/26/64/69/720266469.db2.gz IOEKDWHEQNUGEK-UHFFFAOYSA-N 1 0 328.403 2.871 20 10 EFCDRO COc1cc(C)cc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1O ZINC000894072561 720267337 /nfs/dbraw/zinc/26/73/37/720267337.db2.gz KZAXMEHTYKETCC-OAHLLOKOSA-N 1 0 333.350 2.844 20 10 EFCDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000186030222 720442577 /nfs/dbraw/zinc/44/25/77/720442577.db2.gz DCYYLXXRQQTTIK-QWHCGFSZSA-N 1 0 325.474 2.745 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccsn3)[C@@H]2C)cc1C ZINC000986413976 724678006 /nfs/dbraw/zinc/67/80/06/724678006.db2.gz OEFYRGMZKOZTLJ-HIFRSBDPSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](c2cccs2)N(C)C)c(O)c1OC ZINC000893322220 720614889 /nfs/dbraw/zinc/61/48/89/720614889.db2.gz OUKSTZUOUSREFB-CYBMUJFWSA-N 1 0 336.457 2.863 20 10 EFCDRO CCOc1ccc(C[C@H](C[NH2+]Cc2ccccc2O)C(=O)OC)cc1 ZINC000894141949 720890856 /nfs/dbraw/zinc/89/08/56/720890856.db2.gz XAZZJDVCVXQOFS-QGZVFWFLSA-N 1 0 343.423 2.912 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C)SC)C2)cc1C ZINC001026701709 720940539 /nfs/dbraw/zinc/94/05/39/720940539.db2.gz YMWUWVVFVWPUNY-GOEBONIOSA-N 1 0 336.501 2.693 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCN(c2ncccc2F)CC1 ZINC000840916223 720947440 /nfs/dbraw/zinc/94/74/40/720947440.db2.gz IHYNMAQPTUVUAS-UHFFFAOYSA-N 1 0 328.435 2.917 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C3=COCCC3)C2)cc1C ZINC001026726585 720989746 /nfs/dbraw/zinc/98/97/46/720989746.db2.gz BEMUYLFZLPSHNU-QGZVFWFLSA-N 1 0 344.455 2.636 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C)C3CC3)C2)cc1C ZINC001026758992 721048155 /nfs/dbraw/zinc/04/81/55/721048155.db2.gz XDGXKVMIEDCCBF-DOTOQJQBSA-N 1 0 330.472 2.988 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C3CC(C)C3)C2)cc1C ZINC001026771266 721075507 /nfs/dbraw/zinc/07/55/07/721075507.db2.gz SPLXMPIWUWEVJC-GMXGEUMGSA-N 1 0 330.472 2.988 20 10 EFCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC000067247885 721084125 /nfs/dbraw/zinc/08/41/25/721084125.db2.gz VRFYENLJINGMGP-AWEZNQCLSA-N 1 0 348.468 2.763 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCCO3)C2)cc1C ZINC001026786219 721106788 /nfs/dbraw/zinc/10/67/88/721106788.db2.gz WLGANYKAGPQZSR-MJGOQNOKSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCCO3)C2)cc1C ZINC001026786217 721106995 /nfs/dbraw/zinc/10/69/95/721106995.db2.gz WLGANYKAGPQZSR-HKUYNNGSSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC3(C)C)C2)cc1C ZINC001026788179 721115907 /nfs/dbraw/zinc/11/59/07/721115907.db2.gz CQMIIUPTXULHQK-SJORKVTESA-N 1 0 330.472 2.988 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C2CCN(Cc3ccncc3)CC2)c1O ZINC000894193788 721187752 /nfs/dbraw/zinc/18/77/52/721187752.db2.gz KUXTWRVDMYDKRU-UHFFFAOYSA-N 1 0 341.455 2.858 20 10 EFCDRO COc1cc(C)cc(C[NH2+]Cc2cccc(N3CCOC3=O)c2)c1O ZINC000894198520 721192941 /nfs/dbraw/zinc/19/29/41/721192941.db2.gz CXRNSWIAYAXAQS-UHFFFAOYSA-N 1 0 342.395 2.956 20 10 EFCDRO COc1cc(C)cc(C[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c1O ZINC000894216876 721281008 /nfs/dbraw/zinc/28/10/08/721281008.db2.gz USVDCJQPGUERCR-UHFFFAOYSA-N 1 0 349.452 2.544 20 10 EFCDRO COc1ccc(N2CCC[N@H+](CCC(=O)OC(C)(C)C)CC2)cc1 ZINC000053775249 721314417 /nfs/dbraw/zinc/31/44/17/721314417.db2.gz WNSXGPHSVLPZHB-UHFFFAOYSA-N 1 0 334.460 2.939 20 10 EFCDRO CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@]2(C)C1 ZINC000982842459 721338242 /nfs/dbraw/zinc/33/82/42/721338242.db2.gz DIXGRLXJIXLEFX-HDICACEKSA-N 1 0 343.431 2.653 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCc2ccc(NC(C)=O)cc2)c1O ZINC000894233634 721354936 /nfs/dbraw/zinc/35/49/36/721354936.db2.gz KIXMIWVEKQQBON-UHFFFAOYSA-N 1 0 328.412 3.000 20 10 EFCDRO COc1ccc(CN2CCOc3cccc(F)c3C2)c(O)c1OC ZINC000894270178 721832419 /nfs/dbraw/zinc/83/24/19/721832419.db2.gz YTHFXUMEKTWTCO-UHFFFAOYSA-N 1 0 333.359 2.943 20 10 EFCDRO COc1ccc([C@H](CCO)[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894369112 722627693 /nfs/dbraw/zinc/62/76/93/722627693.db2.gz XXAHICBHQBJZGB-KRWDZBQOSA-N 1 0 331.412 2.931 20 10 EFCDRO COc1ccc([C@@H](CCO)[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894369113 722627744 /nfs/dbraw/zinc/62/77/44/722627744.db2.gz XXAHICBHQBJZGB-QGZVFWFLSA-N 1 0 331.412 2.931 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029014439 722640565 /nfs/dbraw/zinc/64/05/65/722640565.db2.gz ZKBJVZIEWIWNAB-ZDUSSCGKSA-N 1 0 331.420 2.557 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3ccn(C)c3)C2)cc1C ZINC000983465970 722650281 /nfs/dbraw/zinc/65/02/81/722650281.db2.gz UBNPUKZEOASRPH-SAABIXHNSA-N 1 0 341.455 2.640 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c(O)c1OC ZINC000894435690 722736921 /nfs/dbraw/zinc/73/69/21/722736921.db2.gz FNJNNHGXQQZPFS-XMMPIXPASA-N 1 0 349.452 2.578 20 10 EFCDRO CN(Cc1ccc2oc(=O)oc2c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000894461965 722745986 /nfs/dbraw/zinc/74/59/86/722745986.db2.gz OFAXZSTUNJTVLI-UHFFFAOYSA-N 1 0 342.395 2.963 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@H]2COC(=O)N(C)C)c1O ZINC000894753690 722836704 /nfs/dbraw/zinc/83/67/04/722836704.db2.gz XJIMEPSRKKDXAD-HNNXBMFYSA-N 1 0 336.432 2.762 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)c(O)c1OC ZINC000894809273 722854066 /nfs/dbraw/zinc/85/40/66/722854066.db2.gz HRAYTUUHMNGAPU-QGZVFWFLSA-N 1 0 345.439 2.719 20 10 EFCDRO [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@@H](CCCO)C1 ZINC000894960185 723035439 /nfs/dbraw/zinc/03/54/39/723035439.db2.gz WDJHZVGFGTXNTG-SNVBAGLBSA-N 1 0 332.213 2.888 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)c1O ZINC000895001713 723045749 /nfs/dbraw/zinc/04/57/49/723045749.db2.gz UGFFBDCYEAPVKP-MRXNPFEDSA-N 1 0 332.444 2.686 20 10 EFCDRO COc1ccc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)c(O)c1OC ZINC000895012393 723049674 /nfs/dbraw/zinc/04/96/74/723049674.db2.gz NGNCVFKNSTZNFI-LJQANCHMSA-N 1 0 331.412 2.749 20 10 EFCDRO COc1ccc(C[N@H+](C)C[C@](C)(O)c2ccccc2)c(O)c1OC ZINC000895012392 723049737 /nfs/dbraw/zinc/04/97/37/723049737.db2.gz NGNCVFKNSTZNFI-IBGZPJMESA-N 1 0 331.412 2.749 20 10 EFCDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000895940337 723065312 /nfs/dbraw/zinc/06/53/12/723065312.db2.gz ZOPDFNSMKBBSFY-CYBMUJFWSA-N 1 0 337.416 2.575 20 10 EFCDRO CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@H+](Cc3ccccc3O)C2)C1 ZINC000896168195 723177469 /nfs/dbraw/zinc/17/74/69/723177469.db2.gz ODTRXFBLBULMQO-LJQANCHMSA-N 1 0 348.443 2.604 20 10 EFCDRO C=C/C=C/CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896437230 723301862 /nfs/dbraw/zinc/30/18/62/723301862.db2.gz MQEKURMAHZGKHU-DVBCCOPCSA-N 1 0 330.476 2.787 20 10 EFCDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000154580104 728809661 /nfs/dbraw/zinc/80/96/61/728809661.db2.gz ZUVPPSKPNMXRSQ-ZDUSSCGKSA-N 1 0 342.534 2.609 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](CCO)c2ccccc2F)c(O)c1OC ZINC000895116587 723328124 /nfs/dbraw/zinc/32/81/24/723328124.db2.gz UAVOIJYKFVPMEF-HNNXBMFYSA-N 1 0 335.375 2.762 20 10 EFCDRO COc1ccc(C[NH2+]C[C@](C)(O)c2cccc(F)c2)c(O)c1OC ZINC000896562295 723375344 /nfs/dbraw/zinc/37/53/44/723375344.db2.gz SMOXDJAHVYZCNF-SFHVURJKSA-N 1 0 335.375 2.546 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1ccccc1S(C)(=O)=O ZINC000896814457 723492274 /nfs/dbraw/zinc/49/22/74/723492274.db2.gz OZSBPNCBRYRIAP-UHFFFAOYSA-N 1 0 346.496 2.797 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CC[C@@H](C)O3)C2)cc1C ZINC000984836196 723515380 /nfs/dbraw/zinc/51/53/80/723515380.db2.gz RNHLNEGYPUXZNF-KLICCBINSA-N 1 0 346.471 2.556 20 10 EFCDRO CN1CCCc2cc(CNC(=S)NCC(C)(C)C[NH+](C)C)ccc21 ZINC000727084899 723797822 /nfs/dbraw/zinc/79/78/22/723797822.db2.gz YOKOIYASRBGDNX-UHFFFAOYSA-N 1 0 348.560 2.621 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1 ZINC000918197559 728848900 /nfs/dbraw/zinc/84/89/00/728848900.db2.gz JQUIOKKZXKJXFM-LJQANCHMSA-N 1 0 346.858 3.000 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@H]2CCc3ccccc3NC2=O)c1O ZINC000895182825 723840717 /nfs/dbraw/zinc/84/07/17/723840717.db2.gz GLTKKVPVBREQHD-INIZCTEOSA-N 1 0 326.396 2.752 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000918227844 728855686 /nfs/dbraw/zinc/85/56/86/728855686.db2.gz AETNJMZHBOOGQR-UHFFFAOYSA-N 1 0 344.503 2.770 20 10 EFCDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000154670361 728858824 /nfs/dbraw/zinc/85/88/24/728858824.db2.gz BDOLIUGOWROTRR-ZDUSSCGKSA-N 1 0 342.534 2.751 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000895251548 723943008 /nfs/dbraw/zinc/94/30/08/723943008.db2.gz SLVIAPMKLMMFJU-AWEZNQCLSA-N 1 0 336.432 2.808 20 10 EFCDRO COc1ccc(N2CCC(NC(=O)CCC3CC[NH2+]CC3)CC2)cc1 ZINC000237257392 724030821 /nfs/dbraw/zinc/03/08/21/724030821.db2.gz ZRVFMDUZXACDOQ-UHFFFAOYSA-N 1 0 345.487 2.560 20 10 EFCDRO Cn1cncc1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000727470522 724061947 /nfs/dbraw/zinc/06/19/47/724061947.db2.gz YNCWKRDYGYGSTL-UHFFFAOYSA-N 1 0 336.386 2.780 20 10 EFCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cnc1F ZINC000895451227 724140200 /nfs/dbraw/zinc/14/02/00/724140200.db2.gz KXRZUNKVKZKEKL-UHFFFAOYSA-N 1 0 329.419 2.780 20 10 EFCDRO COc1ccc(C[NH2+][C@H](CO)c2ccc(F)cc2F)c(O)c1OC ZINC000895459337 724143227 /nfs/dbraw/zinc/14/32/27/724143227.db2.gz QKKDBQUITBITMG-CQSZACIVSA-N 1 0 339.338 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)c(O)c1OC ZINC000895461382 724144260 /nfs/dbraw/zinc/14/42/60/724144260.db2.gz XYIFMSXUYHEILF-CZUORRHYSA-N 1 0 331.412 2.664 20 10 EFCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000895495703 724167185 /nfs/dbraw/zinc/16/71/85/724167185.db2.gz WWAAGGWXDVUMIN-OAHLLOKOSA-N 1 0 346.814 2.949 20 10 EFCDRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3cc(OC)ccc3O)C2)cc1 ZINC000895496905 724168000 /nfs/dbraw/zinc/16/80/00/724168000.db2.gz WFBNEIOKWQTZLM-KRWDZBQOSA-N 1 0 342.395 2.692 20 10 EFCDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1ccc2c(c1)CCO2)C(F)(F)F ZINC000895709304 724279799 /nfs/dbraw/zinc/27/97/99/724279799.db2.gz ZDRVXLQDZIBNSJ-PMGBHYCQSA-N 1 0 331.334 2.555 20 10 EFCDRO COc1cc2c(cc1O)CC[N@H+](Cc1cc(C)cc(OC)c1O)C2 ZINC000895886930 724372638 /nfs/dbraw/zinc/37/26/38/724372638.db2.gz HVDDNLAGUHNWCV-UHFFFAOYSA-N 1 0 329.396 2.982 20 10 EFCDRO Cc1cc(C(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccccc1C ZINC000728913603 724883334 /nfs/dbraw/zinc/88/33/34/724883334.db2.gz NSOJJZVPDAYFNH-ROUUACIJSA-N 1 0 337.467 2.736 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CCOCC3)[C@@H]2C)cc1C ZINC000985879207 724941673 /nfs/dbraw/zinc/94/16/73/724941673.db2.gz QVXAIACRNSOWNN-CRAIPNDOSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccccn3)[C@@H]2C)cc1C ZINC000985883528 724944985 /nfs/dbraw/zinc/94/49/85/724944985.db2.gz HGMZQZLZUQUTEK-WBVHZDCISA-N 1 0 339.439 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccncc3)[C@@H]2C)cc1C ZINC000985881054 724945232 /nfs/dbraw/zinc/94/52/32/724945232.db2.gz YVZRQWCYRNYXSB-QAPCUYQASA-N 1 0 339.439 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3=COCCC3)[C@H]2C)cc1C ZINC000986052787 725026270 /nfs/dbraw/zinc/02/62/70/725026270.db2.gz IDFIDRCFZJZMSI-YJBOKZPZSA-N 1 0 344.455 2.777 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3oncc3C)[C@@H]2C)cc1C ZINC000987296884 725634223 /nfs/dbraw/zinc/63/42/23/725634223.db2.gz DESZVTHYKLVMDY-ZBFHGGJFSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C3CCOCC3)C2)cc1C ZINC000987757135 725840628 /nfs/dbraw/zinc/84/06/28/725840628.db2.gz NUJFPUGSFJFZFW-QAPCUYQASA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C3CCOCC3)C2)cc1C ZINC000987757137 725840634 /nfs/dbraw/zinc/84/06/34/725840634.db2.gz NUJFPUGSFJFZFW-YJBOKZPZSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3ccncc3)C2)cc1C ZINC000987804424 725858047 /nfs/dbraw/zinc/85/80/47/725858047.db2.gz VNSTUNMSOMXTEF-YJBOKZPZSA-N 1 0 339.439 2.791 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@]23CCC[C@H]2[N@H+](CCF)CC3)cc1 ZINC000992547850 725956374 /nfs/dbraw/zinc/95/63/74/725956374.db2.gz LYEYWTXNIVUYQL-RHSMWYFYSA-N 1 0 347.394 2.545 20 10 EFCDRO CC[N@@H+]1CC[C@]2(NC(=O)c3ccc(N=NC(N)=O)cc3)CCC[C@H]12 ZINC000992547793 725959176 /nfs/dbraw/zinc/95/91/76/725959176.db2.gz LUEHLGIIJRHUHP-WMLDXEAASA-N 1 0 329.404 2.596 20 10 EFCDRO C[C@H]1CCC[N@H+](CCNC(=O)NCCCSc2nccs2)C1 ZINC000152173430 725968010 /nfs/dbraw/zinc/96/80/10/725968010.db2.gz DIJUTNDZHSLXDU-ZDUSSCGKSA-N 1 0 342.534 2.656 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000152176201 725968199 /nfs/dbraw/zinc/96/81/99/725968199.db2.gz IGJLDBAXUVJIFP-UHFFFAOYSA-N 1 0 344.503 2.913 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3ncoc3C)C2)cc1C ZINC000988299656 726163257 /nfs/dbraw/zinc/16/32/57/726163257.db2.gz YPPRNKKDCJNHPY-BBRMVZONSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000324186400 726167807 /nfs/dbraw/zinc/16/78/07/726167807.db2.gz IXVPVJWXPUDFPC-GHMZBOCLSA-N 1 0 327.384 2.982 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000897473649 726251487 /nfs/dbraw/zinc/25/14/87/726251487.db2.gz BAJIVBPGXHMCQK-MRXNPFEDSA-N 1 0 332.492 2.768 20 10 EFCDRO CCCCCNC(=O)C1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000153017287 726371367 /nfs/dbraw/zinc/37/13/67/726371367.db2.gz CUENLDUJQXCKAB-UHFFFAOYSA-N 1 0 334.460 2.919 20 10 EFCDRO CN(C)c1ccc([C@H](CNc2nccc3nccnc32)[NH+](C)C)cc1 ZINC000897522310 726401662 /nfs/dbraw/zinc/40/16/62/726401662.db2.gz LOEWHSQJAKKGAE-KRWDZBQOSA-N 1 0 336.443 2.806 20 10 EFCDRO CC(C)CNC(=O)NC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000731847021 726941974 /nfs/dbraw/zinc/94/19/74/726941974.db2.gz AXOGYNHENZXMDG-UHFFFAOYSA-N 1 0 347.459 2.619 20 10 EFCDRO CCCN(CC(=O)NCC(=O)c1cccs1)Cc1ccccc1O ZINC000731849906 726942513 /nfs/dbraw/zinc/94/25/13/726942513.db2.gz KUPNYTJCRSZSIS-UHFFFAOYSA-N 1 0 346.452 2.665 20 10 EFCDRO CN(C(=O)/C=C\c1cccnc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732003736 726974953 /nfs/dbraw/zinc/97/49/53/726974953.db2.gz DITFGZMKTVRMMW-WDZFZDKYSA-N 1 0 325.412 2.698 20 10 EFCDRO C[N@H+](CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1ccccc1O ZINC000732203312 727004400 /nfs/dbraw/zinc/00/44/00/727004400.db2.gz WSIMIENSXCNGTH-UHFFFAOYSA-N 1 0 328.456 2.765 20 10 EFCDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1C ZINC000732797034 727232217 /nfs/dbraw/zinc/23/22/17/727232217.db2.gz FNJOBEVBNXCWFK-ZDUSSCGKSA-N 1 0 330.350 2.604 20 10 EFCDRO CCCC[N@H+](C)CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000732884382 727269549 /nfs/dbraw/zinc/26/95/49/727269549.db2.gz AUPKANJLURGSDS-UHFFFAOYSA-N 1 0 332.492 2.818 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccnc1 ZINC000732917482 727307925 /nfs/dbraw/zinc/30/79/25/727307925.db2.gz VCLODLUIAYSGST-MAUKXSAKSA-N 1 0 338.455 2.634 20 10 EFCDRO O=C(NCc1ccc(O)cc1O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000910951530 727472680 /nfs/dbraw/zinc/47/26/80/727472680.db2.gz SCGLZJDBHKFPOL-GOSISDBHSA-N 1 0 340.423 2.769 20 10 EFCDRO O=C(NCc1ccc(O)cc1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000910955633 727472932 /nfs/dbraw/zinc/47/29/32/727472932.db2.gz RGSVEYUNIHFQLD-UHFFFAOYSA-N 1 0 340.423 2.626 20 10 EFCDRO Cc1cc(C)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)n1 ZINC000911667290 727576490 /nfs/dbraw/zinc/57/64/90/727576490.db2.gz PQGQSOHCAPDZFY-KRWDZBQOSA-N 1 0 326.444 2.503 20 10 EFCDRO Cc1ccccc1[C@@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911666291 727576510 /nfs/dbraw/zinc/57/65/10/727576510.db2.gz IAPAARMACICVPF-DNVCBOLYSA-N 1 0 325.456 2.981 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000916681359 727718386 /nfs/dbraw/zinc/71/83/86/727718386.db2.gz TZZRHWAGJQTBDX-UHFFFAOYSA-N 1 0 343.427 2.997 20 10 EFCDRO CC[NH+]1CCC(C[NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000044517925 727871425 /nfs/dbraw/zinc/87/14/25/727871425.db2.gz AUXLUNJHZZXSTL-UHFFFAOYSA-N 1 0 327.266 2.976 20 10 EFCDRO CCOCCCNC(=O)C1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000164169033 727918775 /nfs/dbraw/zinc/91/87/75/727918775.db2.gz GZOKPGZCAMGDAV-UHFFFAOYSA-N 1 0 348.487 2.764 20 10 EFCDRO CC[C@@H](CNC(=O)Cc1ccc(N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000164947385 728000661 /nfs/dbraw/zinc/00/06/61/728000661.db2.gz GTMKSCRUKZWJPY-FQEVSTJZSA-N 1 0 337.467 2.764 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3csc(N(C)C)n3)CC2)cc1 ZINC000157089896 728038582 /nfs/dbraw/zinc/03/85/82/728038582.db2.gz NNNJRPOOACZAEL-UHFFFAOYSA-N 1 0 346.500 2.976 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2F)c1 ZINC000182316009 728078063 /nfs/dbraw/zinc/07/80/63/728078063.db2.gz VJCFTILGWIDFGY-QWHCGFSZSA-N 1 0 335.375 2.630 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)c1 ZINC000182326942 728083942 /nfs/dbraw/zinc/08/39/42/728083942.db2.gz ZIKAYVKQGUFVMG-GFCCVEGCSA-N 1 0 325.368 2.562 20 10 EFCDRO CC(C)[NH+](CCNC(=O)NCc1ccc(N(C)C)c(F)c1)C(C)C ZINC000057646535 728100055 /nfs/dbraw/zinc/10/00/55/728100055.db2.gz TZZFMTOVRNCSQC-UHFFFAOYSA-N 1 0 338.471 2.810 20 10 EFCDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000182349653 728110954 /nfs/dbraw/zinc/11/09/54/728110954.db2.gz HTDHPIAKKNGMGQ-LBPRGKRZSA-N 1 0 330.384 2.699 20 10 EFCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000183469658 728111538 /nfs/dbraw/zinc/11/15/38/728111538.db2.gz LSIFIPKPPWKSPY-CYBMUJFWSA-N 1 0 328.412 2.520 20 10 EFCDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(C)c(O)c2O)c1 ZINC000182370090 728120880 /nfs/dbraw/zinc/12/08/80/728120880.db2.gz AQXKNRXUQDJWMJ-UHFFFAOYSA-N 1 0 342.439 2.919 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000182398731 728134931 /nfs/dbraw/zinc/13/49/31/728134931.db2.gz MVYYDWFZKNAOOX-CYBMUJFWSA-N 1 0 339.395 2.952 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)Cc3ccoc3)CC2)cc1C ZINC000991603699 728140243 /nfs/dbraw/zinc/14/02/43/728140243.db2.gz GLFRIWWAPIGBAF-UHFFFAOYSA-N 1 0 342.439 2.920 20 10 EFCDRO Cc1ccc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c(O)c1O ZINC000182421079 728154525 /nfs/dbraw/zinc/15/45/25/728154525.db2.gz CYTMPFWXILBFOT-CQSZACIVSA-N 1 0 328.412 2.657 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2cccs2)c1 ZINC000182443407 728162809 /nfs/dbraw/zinc/16/28/09/728162809.db2.gz MXNPHUFCPYXLHX-NEPJUHHUSA-N 1 0 334.441 2.990 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COCc2ccccc2F)c1 ZINC000182444878 728162904 /nfs/dbraw/zinc/16/29/04/728162904.db2.gz WBQJMRAOMZXPIA-DZGCQCFKSA-N 1 0 349.402 2.768 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3cccc(F)c3)C1)OCO2 ZINC000182778470 728365872 /nfs/dbraw/zinc/36/58/72/728365872.db2.gz ITBGJLLILIGJCQ-OAHLLOKOSA-N 1 0 331.343 2.913 20 10 EFCDRO CC(C)[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000995228087 728405476 /nfs/dbraw/zinc/40/54/76/728405476.db2.gz HCFNAAYLCCICIS-DOMZBBRYSA-N 1 0 331.420 2.746 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000171755783 728551035 /nfs/dbraw/zinc/55/10/35/728551035.db2.gz GRJAKOQGRLELQM-QGZVFWFLSA-N 1 0 332.492 2.674 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NCCCCn2ccnc2C)c1 ZINC000173436440 728626455 /nfs/dbraw/zinc/62/64/55/728626455.db2.gz LCWCCRMGJKOVCB-ZDUSSCGKSA-N 1 0 346.431 2.746 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@](C)(CC)C1)cc2=O ZINC000173778882 728635265 /nfs/dbraw/zinc/63/52/65/728635265.db2.gz VTQFWBOIBZKONU-SFHVURJKSA-N 1 0 346.431 2.624 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000173805595 728636777 /nfs/dbraw/zinc/63/67/77/728636777.db2.gz GJHKYBCBUIYFAD-MJGOQNOKSA-N 1 0 329.488 2.976 20 10 EFCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000154991833 729035247 /nfs/dbraw/zinc/03/52/47/729035247.db2.gz FSXRVKUFGBPEIL-CQSZACIVSA-N 1 0 344.459 2.899 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]cc3C)C[C@H]2C)cc1C ZINC000939742097 729108512 /nfs/dbraw/zinc/10/85/12/729108512.db2.gz ACELXVBVLRSAJF-CRAIPNDOSA-N 1 0 341.455 2.890 20 10 EFCDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000921077446 729257653 /nfs/dbraw/zinc/25/76/53/729257653.db2.gz JOGSAVGOHVBEOC-CQSZACIVSA-N 1 0 328.460 2.949 20 10 EFCDRO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000921496186 729462290 /nfs/dbraw/zinc/46/22/90/729462290.db2.gz PPDVZRDYRAYVSM-OAHLLOKOSA-N 1 0 342.439 2.983 20 10 EFCDRO COC(=O)COc1ccccc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000921496648 729494158 /nfs/dbraw/zinc/49/41/58/729494158.db2.gz XYTDCYHQCWLTTE-UHFFFAOYSA-N 1 0 328.412 2.594 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3(CF)CC3)C[C@H]2C)cc1C ZINC000939119529 729788939 /nfs/dbraw/zinc/78/89/39/729788939.db2.gz MWPJEVPGMJLSCS-GDBMZVCRSA-N 1 0 334.435 2.690 20 10 EFCDRO OC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)cc1O ZINC000691431975 1126106404 /nfs/dbraw/zinc/10/64/04/1126106404.db2.gz XXBVDLFJBOYCJI-OAHLLOKOSA-N 1 0 336.229 2.848 20 10 EFCDRO CN(C)c1cc(F)c(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1F ZINC000858154455 1126112860 /nfs/dbraw/zinc/11/28/60/1126112860.db2.gz ILPNWFPUZHQCQZ-OAHLLOKOSA-N 1 0 338.373 2.863 20 10 EFCDRO CC(C)c1ccc(O)c(C[NH2+][C@H](c2cnn[nH]2)C2CCOCC2)c1 ZINC001575454300 1088480471 /nfs/dbraw/zinc/48/04/71/1088480471.db2.gz NCMNQZOCIQDWRI-SFHVURJKSA-N 1 0 330.432 2.891 20 10 EFCDRO C[C@@H]([NH3+])[C@H]1CN(Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC001576138576 1088953543 /nfs/dbraw/zinc/95/35/43/1088953543.db2.gz IVFIVAWPGJRNGW-DNVCBOLYSA-N 1 0 345.512 2.933 20 10 EFCDRO C[C@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccc(N(C)C)cc1 ZINC001576224050 1089025583 /nfs/dbraw/zinc/02/55/83/1089025583.db2.gz DEZIITLAPSJXNS-HNNXBMFYSA-N 1 0 337.467 2.932 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@H]2CCCN(Cc3cn[nH]n3)C2)cc1C ZINC001576490336 1089294578 /nfs/dbraw/zinc/29/45/78/1089294578.db2.gz UGBUKJPYZQCENH-KRWDZBQOSA-N 1 0 343.475 2.656 20 10 EFCDRO CCc1nnc(N(C)Cc2ccccc2O)n1CC([NH3+])(CC)CC ZINC001578305149 1090336325 /nfs/dbraw/zinc/33/63/25/1090336325.db2.gz KHKLCDGFZDZVON-UHFFFAOYSA-N 1 0 331.464 2.700 20 10 EFCDRO CN(C)c1ccc(CN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)C2CC2)cc1 ZINC001578425450 1090369032 /nfs/dbraw/zinc/36/90/32/1090369032.db2.gz DKWNLFMNOJZLEJ-UYAOXDASSA-N 1 0 327.472 2.633 20 10 EFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12 ZINC001578427271 1090369341 /nfs/dbraw/zinc/36/93/41/1090369341.db2.gz OLAHYVANESLHOF-URLQWDBASA-N 1 0 343.471 2.646 20 10 EFCDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001578489793 1090384328 /nfs/dbraw/zinc/38/43/28/1090384328.db2.gz MHFJGHMTSHXRAJ-FQEVSTJZSA-N 1 0 337.467 2.815 20 10 EFCDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1csc(CC[NH3+])n1 ZINC001578489920 1090385815 /nfs/dbraw/zinc/38/58/15/1090385815.db2.gz VVUIBCFHZOBDHS-UHFFFAOYSA-N 1 0 344.484 2.517 20 10 EFCDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC1([NH3+])CCCC1 ZINC001578489987 1090386116 /nfs/dbraw/zinc/38/61/16/1090386116.db2.gz ZRHJKMAWFRFDED-UHFFFAOYSA-N 1 0 330.476 2.700 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@]2(C)CNCCO2)cc1 ZINC001578498357 1090387945 /nfs/dbraw/zinc/38/79/45/1090387945.db2.gz GQMOPNRTBVFVCD-LJQANCHMSA-N 1 0 345.512 2.853 20 10 EFCDRO C[NH2+]Cc1ccc(NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC001578740246 1090431258 /nfs/dbraw/zinc/43/12/58/1090431258.db2.gz IYIKWTMPTIZKAH-UHFFFAOYSA-N 1 0 325.456 2.979 20 10 EFCDRO C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)C1CC[NH2+]CC1 ZINC001579410711 1090608289 /nfs/dbraw/zinc/60/82/89/1090608289.db2.gz DLDOAFGSPDYPBC-MRXNPFEDSA-N 1 0 344.503 2.816 20 10 EFCDRO Cc1cc(C(=O)N(C)C[C@@H](O)C[NH3+])c(C)n1-c1cccc(C(C)C)c1 ZINC001579556835 1090633104 /nfs/dbraw/zinc/63/31/04/1090633104.db2.gz OPRVSARMOGSRES-SFHVURJKSA-N 1 0 343.471 2.609 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)CC(C)(C)[NH3+])c1 ZINC001579589345 1090637415 /nfs/dbraw/zinc/63/74/15/1090637415.db2.gz GAMSIDQSMCUYGK-UHFFFAOYSA-N 1 0 327.428 2.716 20 10 EFCDRO Cc1cc(CCNC(=O)[C@]2(C)CC[NH2+]C2)c(C)n1-c1ccccc1 ZINC001579592602 1090638462 /nfs/dbraw/zinc/63/84/62/1090638462.db2.gz HNWPXNWQLJOFFZ-HXUWFJFHSA-N 1 0 325.456 2.752 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC001579589895 1090638488 /nfs/dbraw/zinc/63/84/88/1090638488.db2.gz QHTGEKVAOHABQS-FQEVSTJZSA-N 1 0 339.439 2.718 20 10 EFCDRO Cc1cc(CCNC(=O)[C@H]2CC[NH2+][C@H]2C)c(C)n1-c1ccccc1 ZINC001579593001 1090638735 /nfs/dbraw/zinc/63/87/35/1090638735.db2.gz PYDFGEAIAOZOAP-KXBFYZLASA-N 1 0 325.456 2.751 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001579589702 1090638798 /nfs/dbraw/zinc/63/87/98/1090638798.db2.gz NBEOSBXKTOGOPE-GUYCJALGSA-N 1 0 339.439 2.777 20 10 EFCDRO Cc1cc(CNC(=O)N2CC[NH2+]C[C@H]2C)c(C)n1-c1ccccc1 ZINC001579601818 1090640457 /nfs/dbraw/zinc/64/04/57/1090640457.db2.gz GDWYCRKKTNIBAW-OAHLLOKOSA-N 1 0 326.444 2.597 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cccc(C[NH3+])c1 ZINC001579616854 1090643964 /nfs/dbraw/zinc/64/39/64/1090643964.db2.gz GZFSAWZYQJCNRB-OAHLLOKOSA-N 1 0 325.456 2.881 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCC[NH2+]C(C)C ZINC001579617621 1090644622 /nfs/dbraw/zinc/64/46/22/1090644622.db2.gz QKSDDNNTVZBYHL-MRXNPFEDSA-N 1 0 334.508 2.679 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCCC[C@H]1C[NH3+] ZINC001579617919 1090644791 /nfs/dbraw/zinc/64/47/91/1090644791.db2.gz WNQHGPKZWNMTPE-YJBOKZPZSA-N 1 0 332.492 2.515 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC1([NH3+])CCCC1 ZINC001579617649 1090644976 /nfs/dbraw/zinc/64/49/76/1090644976.db2.gz SCZWJHPCORUOIA-HNNXBMFYSA-N 1 0 332.492 2.563 20 10 EFCDRO Cc1ccc(O)c(CNC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1 ZINC001579723246 1090672066 /nfs/dbraw/zinc/67/20/66/1090672066.db2.gz GJJHSZWRKGWYPL-SFHVURJKSA-N 1 0 341.411 2.683 20 10 EFCDRO Cc1cc(CNC(=O)NC[C@@H]2CC[NH2+]2)c(C)n1-c1cccc(C)c1 ZINC001579748284 1090677443 /nfs/dbraw/zinc/67/74/43/1090677443.db2.gz XNLAZNUBNXIHKM-KRWDZBQOSA-N 1 0 326.444 2.564 20 10 EFCDRO Cc1cc(CNC(=O)N[C@H]2CCC[NH2+]C2)c(C)n1-c1cccc(C)c1 ZINC001579747462 1090677518 /nfs/dbraw/zinc/67/75/18/1090677518.db2.gz MCYJCCDRTFJSCS-SFHVURJKSA-N 1 0 340.471 2.954 20 10 EFCDRO Cc1nn2c(c1Cl)N(C(=O)c1cccc3c1CC[NH2+]C3)CCC2 ZINC001579895003 1090716232 /nfs/dbraw/zinc/71/62/32/1090716232.db2.gz RHGKTXYWEMLNTH-UHFFFAOYSA-N 1 0 330.819 2.541 20 10 EFCDRO [NH3+][C@@H](Cc1cc2ccccc2o1)C(=O)NCc1cccc(Cl)c1O ZINC001580134079 1090785272 /nfs/dbraw/zinc/78/52/72/1090785272.db2.gz HNMNGXNXPKDLPO-HNNXBMFYSA-N 1 0 344.798 2.978 20 10 EFCDRO Nc1ccc(C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC001580445744 1090902576 /nfs/dbraw/zinc/90/25/76/1090902576.db2.gz TUEQDCBWVBKMRP-UHFFFAOYSA-N 1 0 349.434 2.966 20 10 EFCDRO O=C(NC[C@]1(O)CC[NH2+]C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001580635647 1090973348 /nfs/dbraw/zinc/97/33/48/1090973348.db2.gz RZKMTSVGKXOEPW-SFHVURJKSA-N 1 0 339.399 2.948 20 10 EFCDRO O=C(NCc1cccc(O)c1O)c1ccccc1CC1CC[NH2+]CC1 ZINC001580718717 1090992203 /nfs/dbraw/zinc/99/22/03/1090992203.db2.gz MROUXDNYXWMYHJ-UHFFFAOYSA-N 1 0 340.423 2.570 20 10 EFCDRO C/C=C\C[C@@H](CO)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000588489557 1092479321 /nfs/dbraw/zinc/47/93/21/1092479321.db2.gz GLWSMOJKVOLTRY-MVZIDQBPSA-N 1 0 330.222 2.580 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cn1 ZINC000780509195 1093409439 /nfs/dbraw/zinc/40/94/39/1093409439.db2.gz PLLFUOPFUOVGHL-UHFFFAOYSA-N 1 0 329.469 2.933 20 10 EFCDRO CC[C@@H]([NH2+][C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1ccccc1O ZINC001590464982 1093435124 /nfs/dbraw/zinc/43/51/24/1093435124.db2.gz RXTIBIUPCQFOGM-NVXWUHKLSA-N 1 0 335.411 2.780 20 10 EFCDRO CCCN(Cc1cc(-c2nn[nH]n2)cs1)c1ccc(C[NH3+])cc1 ZINC001590627527 1093523656 /nfs/dbraw/zinc/52/36/56/1093523656.db2.gz FMGXEKCSNBDIIG-UHFFFAOYSA-N 1 0 328.445 2.804 20 10 EFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC001590679066 1093544519 /nfs/dbraw/zinc/54/45/19/1093544519.db2.gz QHHDICOQNXMLNW-CYBMUJFWSA-N 1 0 337.431 2.569 20 10 EFCDRO CCOc1cccc(C[N@H+](C)Cc2cc(-c3nn[nH]n3)cs2)c1O ZINC001590843552 1093594058 /nfs/dbraw/zinc/59/40/58/1093594058.db2.gz ZSZQBBKWWQHZQZ-UHFFFAOYSA-N 1 0 345.428 2.665 20 10 EFCDRO C[N@H+](Cc1ccccc1O)Cc1ccc(Cl)cc1-c1nn[nH]n1 ZINC001591147633 1093674730 /nfs/dbraw/zinc/67/47/30/1093674730.db2.gz REDAPCODHNQDKE-UHFFFAOYSA-N 1 0 329.791 2.858 20 10 EFCDRO COc1cc(C[N@H+](C)Cc2cc(-c3nn[nH]n3)cs2)c(O)cc1C ZINC001591526144 1093751881 /nfs/dbraw/zinc/75/18/81/1093751881.db2.gz NCBACMQZUTWBQQ-UHFFFAOYSA-N 1 0 345.428 2.583 20 10 EFCDRO Cc1cc(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)ccc1N(C)C ZINC001591960822 1093934752 /nfs/dbraw/zinc/93/47/52/1093934752.db2.gz AHLXBHNNKHPEIV-UHFFFAOYSA-N 1 0 336.443 2.873 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)c(O)c1 ZINC001592135563 1093993215 /nfs/dbraw/zinc/99/32/15/1093993215.db2.gz LLPANWYEAGOKJI-BLLLJJGKSA-N 1 0 335.411 2.699 20 10 EFCDRO c1cc(-c2nn[nH]n2)cc2c1CC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC001593564212 1094369605 /nfs/dbraw/zinc/36/96/05/1094369605.db2.gz FVMMPZHGBPQEEL-KRWDZBQOSA-N 1 0 333.395 2.579 20 10 EFCDRO COC(=O)C[C@@](C)([NH2+]Cc1ccc2c(c1)CCCO2)c1ccncc1 ZINC000893686480 1095911523 /nfs/dbraw/zinc/91/15/23/1095911523.db2.gz FTVSEWJZZJHHGT-HXUWFJFHSA-N 1 0 340.423 2.975 20 10 EFCDRO CN(C)c1cc(F)c(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1F ZINC001604696547 1096932989 /nfs/dbraw/zinc/93/29/89/1096932989.db2.gz FYHZQCPBKLVPFW-UHFFFAOYSA-N 1 0 344.369 2.501 20 10 EFCDRO COc1cc(C)cc(C[N@H+](C)Cc2cc(-c3nn[nH]n3)cs2)c1O ZINC001605203521 1097050478 /nfs/dbraw/zinc/05/04/78/1097050478.db2.gz RKQADNJRJBMYPF-UHFFFAOYSA-N 1 0 345.428 2.583 20 10 EFCDRO CCCN(c1ccc(C[NH3+])cc1)C1CC[NH+](CCCC(=O)[O-])CC1 ZINC001605320840 1097094041 /nfs/dbraw/zinc/09/40/41/1097094041.db2.gz QXOJHBXZHOSQRC-UHFFFAOYSA-N 1 0 333.476 2.691 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c(O)c1 ZINC001605828437 1097240641 /nfs/dbraw/zinc/24/06/41/1097240641.db2.gz SFJKWSJODVTAMD-CYBMUJFWSA-N 1 0 339.399 2.610 20 10 EFCDRO CCOC(=O)c1c(CN2CCCC[C@@H]2C[NH3+])c2ccccc2n1C ZINC001204932243 1097296107 /nfs/dbraw/zinc/29/61/07/1097296107.db2.gz ILQQHRDQRSUYJR-CQSZACIVSA-N 1 0 329.444 2.668 20 10 EFCDRO O=C(c1ccc(O)c(O)c1)N1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001270038175 1098623366 /nfs/dbraw/zinc/62/33/66/1098623366.db2.gz SVEFYSYXLMTTSK-FQEVSTJZSA-N 1 0 344.455 2.969 20 10 EFCDRO O=C(c1ccc(O)c(O)c1)N1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001270038016 1098623494 /nfs/dbraw/zinc/62/34/94/1098623494.db2.gz QTTZAJNPIJQLNF-IYBDPMFKSA-N 1 0 344.455 2.824 20 10 EFCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(OC)c2O)C1 ZINC000839147321 1099587897 /nfs/dbraw/zinc/58/78/97/1099587897.db2.gz HRCZSZIQWGICQI-TXEJJXNPSA-N 1 0 330.222 2.820 20 10 EFCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1CC[NH2+]CCF ZINC001105083788 1099608695 /nfs/dbraw/zinc/60/86/95/1099608695.db2.gz DLAQJSZUCJKUFF-TZMCWYRMSA-N 1 0 349.410 2.506 20 10 EFCDRO CN(C)c1ccc(/C=C/C(=O)N2CCC3(CC[N@H+](C)C3)CC2)cc1 ZINC001270930946 1100277563 /nfs/dbraw/zinc/27/75/63/1100277563.db2.gz DDVHIRSAUDOQBV-RMKNXTFCSA-N 1 0 327.472 2.710 20 10 EFCDRO C[C@H]([NH2+]CCN1CCN(c2ccccc2)CC1)c1ccccc1O ZINC000783499119 1100278718 /nfs/dbraw/zinc/27/87/18/1100278718.db2.gz LIKLFBHJFYOPMZ-KRWDZBQOSA-N 1 0 325.456 2.865 20 10 EFCDRO CN(C)c1ccc(/C=C/C(=O)N2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1 ZINC001270933375 1100281840 /nfs/dbraw/zinc/28/18/40/1100281840.db2.gz VCOKMKCYUPCJON-ULJNDFNZSA-N 1 0 327.472 2.566 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](OC(=O)N(C)C)C3)c2c1 ZINC000840107138 1100828004 /nfs/dbraw/zinc/82/80/04/1100828004.db2.gz WSPLFVAYPGZOOL-OAHLLOKOSA-N 1 0 344.411 2.827 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000840479030 1101090427 /nfs/dbraw/zinc/09/04/27/1101090427.db2.gz LGVPKHMENNJNJB-APWZRJJASA-N 1 0 346.519 2.728 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000840479044 1101090619 /nfs/dbraw/zinc/09/06/19/1101090619.db2.gz FGULYUATBBEEEG-MRXNPFEDSA-N 1 0 346.519 2.728 20 10 EFCDRO CC(C)Oc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncn1 ZINC001167422852 1101574690 /nfs/dbraw/zinc/57/46/90/1101574690.db2.gz DQMASPDFOLCTPC-UHFFFAOYSA-N 1 0 341.459 2.628 20 10 EFCDRO CCOc1cc(C)nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001167422788 1101574715 /nfs/dbraw/zinc/57/47/15/1101574715.db2.gz BPNIGCIEDSGZBH-UHFFFAOYSA-N 1 0 341.459 2.548 20 10 EFCDRO CC(C)Nc1ccnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001167423018 1101574875 /nfs/dbraw/zinc/57/48/75/1101574875.db2.gz KANBVPLWIQTNID-UHFFFAOYSA-N 1 0 340.475 2.661 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ccc4c(c3)NCCO4)cc2)CC1 ZINC001167431134 1101612852 /nfs/dbraw/zinc/61/28/52/1101612852.db2.gz IQEPOXIWCNZELZ-UHFFFAOYSA-N 1 0 338.455 2.855 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(-n4ccnn4)cc3)cc2)CC1 ZINC001167431380 1101616101 /nfs/dbraw/zinc/61/61/01/1101616101.db2.gz WPTWRAKODHSFJQ-UHFFFAOYSA-N 1 0 348.454 2.631 20 10 EFCDRO COc1ncc(C)cc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167434183 1101660683 /nfs/dbraw/zinc/66/06/83/1101660683.db2.gz DZRRWMUCFSYYRT-UHFFFAOYSA-N 1 0 326.444 2.763 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ccc4cnccc4n3)cc2)CC1 ZINC001167437191 1101718004 /nfs/dbraw/zinc/71/80/04/1101718004.db2.gz OPTYNSKJINIDIC-UHFFFAOYSA-N 1 0 333.439 2.994 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(C(N)=S)cc3)cc2)CC1 ZINC001167436987 1101718618 /nfs/dbraw/zinc/71/86/18/1101718618.db2.gz JYQWVNCQLSWWCT-UHFFFAOYSA-N 1 0 340.496 2.685 20 10 EFCDRO CC[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1cc(Br)ccc1O ZINC000840825813 1101754399 /nfs/dbraw/zinc/75/43/99/1101754399.db2.gz MUUROIBIVNHHEA-GXFFZTMASA-N 1 0 341.249 2.722 20 10 EFCDRO C[NH+](C)[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000588403531 1101902310 /nfs/dbraw/zinc/90/23/10/1101902310.db2.gz OJCSDLVXKQRPST-HGPCXVNDSA-N 1 0 326.396 2.530 20 10 EFCDRO C[NH+](C)[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000588405795 1101925115 /nfs/dbraw/zinc/92/51/15/1101925115.db2.gz XJFHIAPRLVULDT-FIRRRZPPSA-N 1 0 344.386 2.669 20 10 EFCDRO CC[NH+](CC)[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)CC(C)C ZINC000588406530 1101927531 /nfs/dbraw/zinc/92/75/31/1101927531.db2.gz SBMMUDZGFXIXDY-SIJIIQCFSA-N 1 0 334.460 2.984 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)c1 ZINC000840867122 1101945702 /nfs/dbraw/zinc/94/57/02/1101945702.db2.gz NXNWBCBFLHEUNK-LBPRGKRZSA-N 1 0 335.425 2.655 20 10 EFCDRO CCC(=O)N1CCC([NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840892960 1102384630 /nfs/dbraw/zinc/38/46/30/1102384630.db2.gz FOIARBRTKLXHBG-MRXNPFEDSA-N 1 0 331.504 2.983 20 10 EFCDRO COCC[N@H+](Cc1ccc(Cl)cc1O)C1CCN(C(C)=O)CC1 ZINC001140467555 1102532128 /nfs/dbraw/zinc/53/21/28/1102532128.db2.gz XFLZQCYCJNLKCV-UHFFFAOYSA-N 1 0 340.851 2.505 20 10 EFCDRO COc1ccc(N(Cc2ccccc2)C2(C[NH3+])COC2)c(C)c1OC ZINC001167374648 1102915836 /nfs/dbraw/zinc/91/58/36/1102915836.db2.gz PNWPPZZRKIKZSI-UHFFFAOYSA-N 1 0 342.439 2.747 20 10 EFCDRO [NH3+]CC1(N(Cc2ccccc2)c2ccc(Cn3ccnc3)cc2)COC1 ZINC001167374689 1102916426 /nfs/dbraw/zinc/91/64/26/1102916426.db2.gz RVBPPCSSCQXLFV-UHFFFAOYSA-N 1 0 348.450 2.666 20 10 EFCDRO Cc1ccc([C@@H](O)C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000905704772 1103515409 /nfs/dbraw/zinc/51/54/09/1103515409.db2.gz OPYOPDMOEDDOCY-RTWAWAEBSA-N 1 0 341.499 2.987 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(Cc3noc(C)n3)CC2)cc1OC ZINC000905734783 1103570704 /nfs/dbraw/zinc/57/07/04/1103570704.db2.gz UQYREKBTHYIHEI-UHFFFAOYSA-N 1 0 347.415 2.556 20 10 EFCDRO CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001088432090 1103592268 /nfs/dbraw/zinc/59/22/68/1103592268.db2.gz MLJOQSMROSFSMD-OAHLLOKOSA-N 1 0 331.420 2.843 20 10 EFCDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000729593763 1103716286 /nfs/dbraw/zinc/71/62/86/1103716286.db2.gz MHALOHRYTRNAPW-GOSISDBHSA-N 1 0 344.503 2.818 20 10 EFCDRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC001168228657 1104558975 /nfs/dbraw/zinc/55/89/75/1104558975.db2.gz HJQHUKVBMHQXFZ-LJQANCHMSA-N 1 0 338.451 2.789 20 10 EFCDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3ccc(N4CCCC4)cc3)C[C@H]21 ZINC000841710327 1104665237 /nfs/dbraw/zinc/66/52/37/1104665237.db2.gz VYVWUBYTLCCTAW-QXAKKESOSA-N 1 0 342.487 2.556 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000841719244 1104744026 /nfs/dbraw/zinc/74/40/26/1104744026.db2.gz HBFOANCWCNTLNO-WBVHZDCISA-N 1 0 332.492 2.720 20 10 EFCDRO COCCc1nsc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000897524830 1104925517 /nfs/dbraw/zinc/92/55/17/1104925517.db2.gz FHZWIGKIQSBHQV-OAHLLOKOSA-N 1 0 349.504 2.508 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)Cc3ccoc3)C2)cc1C ZINC000988695730 1105028956 /nfs/dbraw/zinc/02/89/56/1105028956.db2.gz YAYXATHUZIISSK-YJBOKZPZSA-N 1 0 342.439 2.918 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3cc[nH]c3)C2)cc1C ZINC000988853672 1105336783 /nfs/dbraw/zinc/33/67/83/1105336783.db2.gz GVGGYJQNHNSTQF-YOEHRIQHSA-N 1 0 327.428 2.725 20 10 EFCDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1cccc(Br)c1O ZINC000897577335 1105779787 /nfs/dbraw/zinc/77/97/87/1105779787.db2.gz VVNAGCWMHGRHSA-LBPRGKRZSA-N 1 0 341.249 2.644 20 10 EFCDRO [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001142508788 1106029727 /nfs/dbraw/zinc/02/97/27/1106029727.db2.gz LKJPNQPBZDYERV-CYBMUJFWSA-N 1 0 325.277 2.950 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000841978719 1106071492 /nfs/dbraw/zinc/07/14/92/1106071492.db2.gz PFEKFPUBCLIOEU-QGZVFWFLSA-N 1 0 332.492 2.815 20 10 EFCDRO CN(C)c1ccc(CN(C(=O)N[C@H]2CCC[NH2+]CC2)C2CC2)cc1 ZINC000841978672 1106072027 /nfs/dbraw/zinc/07/20/27/1106072027.db2.gz OBBPJNUFZWNVGR-INIZCTEOSA-N 1 0 330.476 2.569 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000841980366 1106078685 /nfs/dbraw/zinc/07/86/85/1106078685.db2.gz NYRVRYRZZYAICM-GFCCVEGCSA-N 1 0 341.411 2.564 20 10 EFCDRO [NH3+]C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C1CCCC1 ZINC000841985386 1106095473 /nfs/dbraw/zinc/09/54/73/1106095473.db2.gz IROSFSSRSZJAHT-QGZVFWFLSA-N 1 0 331.460 2.588 20 10 EFCDRO C[C@H]1C[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC[NH2+]1 ZINC000841983923 1106097835 /nfs/dbraw/zinc/09/78/35/1106097835.db2.gz GIPMXMOGIZVELC-GOEBONIOSA-N 1 0 330.476 2.567 20 10 EFCDRO COC(=O)C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)(C)C ZINC000897886621 1106131255 /nfs/dbraw/zinc/13/12/55/1106131255.db2.gz HNHDJPZQKSTEAH-SFHVURJKSA-N 1 0 348.487 2.715 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(CCO)cc3)CC2)cc1 ZINC000898171151 1106258581 /nfs/dbraw/zinc/25/85/81/1106258581.db2.gz SUGRBZVTIQVXKE-UHFFFAOYSA-N 1 0 340.467 2.989 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)Cc3ccco3)C2)cc1C ZINC000989582308 1106455436 /nfs/dbraw/zinc/45/54/36/1106455436.db2.gz HUKNHFXWFIANDD-RDJZCZTQSA-N 1 0 342.439 2.918 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3oncc3C)C2)cc1C ZINC000989635818 1106499263 /nfs/dbraw/zinc/49/92/63/1106499263.db2.gz QIUXEXUBFGEDLA-HOCLYGCPSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)C[C@@H]3CCCO3)CC2)cc1C ZINC000990008566 1107176019 /nfs/dbraw/zinc/17/60/19/1107176019.db2.gz QRFFUDKKGZEBOB-SFHVURJKSA-N 1 0 346.471 2.653 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cncc(Cl)c2)cc1C ZINC001168342347 1107331136 /nfs/dbraw/zinc/33/11/36/1107331136.db2.gz CYZMGWSTFFUXQJ-UHFFFAOYSA-N 1 0 347.846 2.962 20 10 EFCDRO CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001089068336 1107404792 /nfs/dbraw/zinc/40/47/92/1107404792.db2.gz YWYWWCMMAJJHMS-DOMZBBRYSA-N 1 0 331.420 2.842 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3cscn3)CC2)cc1C ZINC000990252543 1107544241 /nfs/dbraw/zinc/54/42/41/1107544241.db2.gz GXVMHOQBLGUVSS-UHFFFAOYSA-N 1 0 345.468 2.855 20 10 EFCDRO CC(C)(C)CC[C@H]([NH3+])CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000904359566 1107841160 /nfs/dbraw/zinc/84/11/60/1107841160.db2.gz BTYQVUFQCOPTIK-INIZCTEOSA-N 1 0 337.483 2.906 20 10 EFCDRO CN1CC[C@@]2(CCC[N@@H+]2Cc2cc3c4c(c2)CCCN4CCC3)C1=O ZINC001272364986 1108078717 /nfs/dbraw/zinc/07/87/17/1108078717.db2.gz WBXLUQQJUFVEEO-NRFANRHFSA-N 1 0 339.483 2.582 20 10 EFCDRO CC[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001272385612 1108146844 /nfs/dbraw/zinc/14/68/44/1108146844.db2.gz DAEKAQGLYIKYHU-BBRMVZONSA-N 1 0 332.444 2.615 20 10 EFCDRO O=C1N(CC2CCCC2)CC[C@@]12CCC[N@H+]2Cc1cc(O)ccc1O ZINC001272386201 1108149099 /nfs/dbraw/zinc/14/90/99/1108149099.db2.gz BXZZOLBJPBOAAZ-FQEVSTJZSA-N 1 0 344.455 2.855 20 10 EFCDRO CCCC[N@@H+]1CC[C@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001272469465 1108419824 /nfs/dbraw/zinc/41/98/24/1108419824.db2.gz BABMWABJJYFPFA-FQEVSTJZSA-N 1 0 329.488 2.977 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)CC1(O)CCCCC1 ZINC000905131833 1108443500 /nfs/dbraw/zinc/44/35/00/1108443500.db2.gz CMKLTRVRHVDLLM-IBGZPJMESA-N 1 0 330.472 2.599 20 10 EFCDRO CCON1CCC([NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000924709578 1108803613 /nfs/dbraw/zinc/80/36/13/1108803613.db2.gz YEKWXZDAJDLNNE-UHFFFAOYSA-N 1 0 335.517 2.745 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cc[nH]c(=O)c1 ZINC000924713359 1108830690 /nfs/dbraw/zinc/83/06/90/1108830690.db2.gz DDNWRQZLFQKRDL-ZDUSSCGKSA-N 1 0 331.391 2.614 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccc(CO)cc2)N(C)C)cc1 ZINC000898448442 1108942010 /nfs/dbraw/zinc/94/20/10/1108942010.db2.gz SGZWCYZDNOVKHX-HXUWFJFHSA-N 1 0 327.472 2.637 20 10 EFCDRO COC(=O)c1coc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000898449401 1108942672 /nfs/dbraw/zinc/94/26/72/1108942672.db2.gz DQWZTYSFWQEHPA-GOSISDBHSA-N 1 0 345.443 2.525 20 10 EFCDRO CC(C)Cn1nccc1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898448747 1108942800 /nfs/dbraw/zinc/94/28/00/1108942800.db2.gz WDCYSKRIZOGBPX-FQEVSTJZSA-N 1 0 343.519 2.998 20 10 EFCDRO Cc1nn(C)c(CNC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1Cl ZINC000898448756 1108942824 /nfs/dbraw/zinc/94/28/24/1108942824.db2.gz WHCOJSKMDQKTIU-INIZCTEOSA-N 1 0 349.910 2.840 20 10 EFCDRO CCn1cc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c(C)n1 ZINC000898448711 1108942889 /nfs/dbraw/zinc/94/28/89/1108942889.db2.gz VHTIJGYOMROEKH-LJQANCHMSA-N 1 0 329.492 2.670 20 10 EFCDRO CCn1nc(C)c(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC000898450342 1108943835 /nfs/dbraw/zinc/94/38/35/1108943835.db2.gz ARUWVXXAVDUEHZ-FQEVSTJZSA-N 1 0 343.519 2.978 20 10 EFCDRO COC(=O)c1occc1CNC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898449874 1108943991 /nfs/dbraw/zinc/94/39/91/1108943991.db2.gz KUGTUMVHNAGZEZ-QGZVFWFLSA-N 1 0 345.443 2.525 20 10 EFCDRO C[C@@H](O)c1ncc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000898449929 1108944145 /nfs/dbraw/zinc/94/41/45/1108944145.db2.gz LWHHWGPXIPCJJW-DYVFJYSZSA-N 1 0 348.516 2.655 20 10 EFCDRO CC(C)[NH+]1CCC(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000898450875 1108944148 /nfs/dbraw/zinc/94/41/48/1108944148.db2.gz UPJSHLAKZAALGR-HXUWFJFHSA-N 1 0 332.536 2.818 20 10 EFCDRO COC(=O)c1ccc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000898450231 1108944186 /nfs/dbraw/zinc/94/41/86/1108944186.db2.gz PCBLQAFIJQQXAC-KRWDZBQOSA-N 1 0 345.443 2.525 20 10 EFCDRO COC(=O)C1CCC([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000898450060 1108944533 /nfs/dbraw/zinc/94/45/33/1108944533.db2.gz MLVYCRBAUUCBNO-TVPLGVNVSA-N 1 0 347.503 2.677 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CCOC1CCSCC1 ZINC000898442531 1108945995 /nfs/dbraw/zinc/94/59/95/1108945995.db2.gz OZSNJTNUNMCWRM-UHFFFAOYSA-N 1 0 336.501 2.525 20 10 EFCDRO Cc1cc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)cnc1F ZINC000898446801 1108948334 /nfs/dbraw/zinc/94/83/34/1108948334.db2.gz BOHICECHCDGPPS-GOSISDBHSA-N 1 0 330.451 2.988 20 10 EFCDRO COc1cccc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c1O ZINC000898452043 1108949260 /nfs/dbraw/zinc/94/92/60/1108949260.db2.gz SOAQMYHEWGITRR-GOSISDBHSA-N 1 0 343.471 2.859 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cn(C)nc2C2CC2)N(C)C)cc1 ZINC000898447746 1108949621 /nfs/dbraw/zinc/94/96/21/1108949621.db2.gz LBMFFNLWPZOCSZ-IBGZPJMESA-N 1 0 341.503 2.756 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cnc(N(C)C)n1C ZINC000842222899 1109196451 /nfs/dbraw/zinc/19/64/51/1109196451.db2.gz VTTOHFDREYOKEK-OAHLLOKOSA-N 1 0 329.492 2.581 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2ccoc2)[NH+](C)C)cc1 ZINC000899101333 1109201944 /nfs/dbraw/zinc/20/19/44/1109201944.db2.gz IYVZBARNUKXWEN-SFHVURJKSA-N 1 0 344.459 2.790 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@H]2C2CC2)[NH+](C)C)cc1 ZINC000899102543 1109203031 /nfs/dbraw/zinc/20/30/31/1109203031.db2.gz QKSYGFKATYJMGJ-OALUTQOASA-N 1 0 344.503 2.939 20 10 EFCDRO CCC1(C)CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899105821 1109204796 /nfs/dbraw/zinc/20/47/96/1109204796.db2.gz ZIPTWTWKZPZRFN-QGZVFWFLSA-N 1 0 332.492 2.797 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)NC2(C)CC=CC2)[NH+](C)C)cc1 ZINC000899099167 1109206644 /nfs/dbraw/zinc/20/66/44/1109206644.db2.gz WGNCLTWWSUWAQX-KRWDZBQOSA-N 1 0 330.476 2.763 20 10 EFCDRO CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC001076619421 1109957272 /nfs/dbraw/zinc/95/72/72/1109957272.db2.gz DZVGHJWEMWXMFX-GOEBONIOSA-N 1 0 343.431 2.651 20 10 EFCDRO [O-]c1c(Br)cc(F)cc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC001235303156 1111731979 /nfs/dbraw/zinc/73/19/79/1111731979.db2.gz LPAAPHDELUZUSW-JTQLQIEISA-N 1 0 332.213 2.888 20 10 EFCDRO O=C1C[C@]2(CN1CC(F)(F)F)CCCC[N@H+]2Cc1ccccc1O ZINC001272618286 1111752167 /nfs/dbraw/zinc/75/21/67/1111752167.db2.gz FFCWHRWBMBXLKO-INIZCTEOSA-N 1 0 342.361 2.912 20 10 EFCDRO O=C1C[C@]2(CN1Cc1cnoc1)CCCC[N@H+]2Cc1ccccc1O ZINC001272619820 1111755860 /nfs/dbraw/zinc/75/58/60/1111755860.db2.gz ZSWJZGZXMWNWSF-IBGZPJMESA-N 1 0 341.411 2.537 20 10 EFCDRO CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(C)ccc3O)C2)C1=O ZINC001272622369 1111759940 /nfs/dbraw/zinc/75/99/40/1111759940.db2.gz GUKPTRTUEKASJM-FOIQADDNSA-N 1 0 344.455 2.840 20 10 EFCDRO CCCCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(OC)cc2O)C1=O ZINC001272624928 1111763030 /nfs/dbraw/zinc/76/30/30/1111763030.db2.gz DGYHRFYAYWKITO-LJQANCHMSA-N 1 0 332.444 2.768 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2CCCC2)c1O ZINC001272625156 1111766218 /nfs/dbraw/zinc/76/62/18/1111766218.db2.gz IKABUAOUKHYRMR-IAGOWNOFSA-N 1 0 344.455 2.909 20 10 EFCDRO CC(C)=CCN1CC[C@@]2(CC[N@H+](Cc3ccc(O)c(C)c3O)C2)C1=O ZINC001272658075 1111934528 /nfs/dbraw/zinc/93/45/28/1111934528.db2.gz UHOFTMHKMLNDTC-HXUWFJFHSA-N 1 0 344.455 2.797 20 10 EFCDRO CC[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(O)c(C)c2O)C1=O ZINC001272658101 1111934913 /nfs/dbraw/zinc/93/49/13/1111934913.db2.gz VMLMNZAZSRAHPO-ORAYPTAESA-N 1 0 332.444 2.772 20 10 EFCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@]23CCN(C2CCCC2)C3=O)c1O ZINC001272660789 1111953655 /nfs/dbraw/zinc/95/36/55/1111953655.db2.gz WHPFNLAJAGFSIP-FQEVSTJZSA-N 1 0 344.455 2.916 20 10 EFCDRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C(C)C)CC(C)(C)C2)cc(OC)n1 ZINC001089431091 1112123789 /nfs/dbraw/zinc/12/37/89/1112123789.db2.gz YRKNLQZGJFFDFC-HNNXBMFYSA-N 1 0 349.475 2.728 20 10 EFCDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000237574509 1112525877 /nfs/dbraw/zinc/52/58/77/1112525877.db2.gz HYXSZRLYFSOMEL-OAHLLOKOSA-N 1 0 346.450 2.593 20 10 EFCDRO CO[C@H]1CC[N@H+](Cc2cc(O)c(Br)cc2O)[C@@H](C)C1 ZINC001236763831 1117925686 /nfs/dbraw/zinc/92/56/86/1117925686.db2.gz CMRVSUQTCFLCST-ONGXEEELSA-N 1 0 330.222 2.860 20 10 EFCDRO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001272700113 1118430793 /nfs/dbraw/zinc/43/07/93/1118430793.db2.gz RUTTUCOQYCFUTC-PLMTUMEDSA-N 1 0 341.499 2.833 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCc2ccc(C)c(F)c2)c1 ZINC000182425728 1118605120 /nfs/dbraw/zinc/60/51/20/1118605120.db2.gz YPNDNXXKCZMRFX-CYBMUJFWSA-N 1 0 346.402 2.815 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C1[C@H](C)CCC[C@H]1C)cc2=O ZINC000182956599 1118680115 /nfs/dbraw/zinc/68/01/15/1118680115.db2.gz CEHKMPXGQAIOND-VXGBXAGGSA-N 1 0 346.431 2.526 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C1[C@@H](C)CCC[C@@H]1C)cc2=O ZINC000182956583 1118680171 /nfs/dbraw/zinc/68/01/71/1118680171.db2.gz CEHKMPXGQAIOND-RYUDHWBXSA-N 1 0 346.431 2.526 20 10 EFCDRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCCSc1nccs1 ZINC000182992916 1118688745 /nfs/dbraw/zinc/68/87/45/1118688745.db2.gz RTALZZPABFOMDM-NWDGAFQWSA-N 1 0 334.532 2.571 20 10 EFCDRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCCSc1nccs1 ZINC000182992964 1118688752 /nfs/dbraw/zinc/68/87/52/1118688752.db2.gz RTALZZPABFOMDM-NEPJUHHUSA-N 1 0 334.532 2.571 20 10 EFCDRO CCc1cc(N2CC=C(CCNC(=O)c3cc[nH]c3)CC2)nc(C)n1 ZINC001089867861 1118921453 /nfs/dbraw/zinc/92/14/53/1118921453.db2.gz UGEQCWOHHLMGHT-UHFFFAOYSA-N 1 0 339.443 2.632 20 10 EFCDRO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cc(F)ccc1O ZINC000185063960 1119706105 /nfs/dbraw/zinc/70/61/05/1119706105.db2.gz UGNIRZVZVBMVEU-CYBMUJFWSA-N 1 0 346.402 2.849 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c(O)c1 ZINC000185110700 1119744509 /nfs/dbraw/zinc/74/45/09/1119744509.db2.gz TXTXFVCXPMCFTR-CQSZACIVSA-N 1 0 348.468 2.802 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCCO3)CC2(C)C)cc1C ZINC000995420924 1119799338 /nfs/dbraw/zinc/79/93/38/1119799338.db2.gz WSNGXCHCSZEWCA-ROUUACIJSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)NCc2ccccc2)c1 ZINC000185252399 1119935174 /nfs/dbraw/zinc/93/51/74/1119935174.db2.gz QQYBULURRDUHGP-AWEZNQCLSA-N 1 0 328.412 2.758 20 10 EFCDRO CC(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001107056959 1120164677 /nfs/dbraw/zinc/16/46/77/1120164677.db2.gz FGYKSKVSORTSTC-UKRRQHHQSA-N 1 0 345.447 2.803 20 10 EFCDRO CCC(CC)C[NH+]1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001032218745 1120331372 /nfs/dbraw/zinc/33/13/72/1120331372.db2.gz BEWXKHGKKKPEDC-UHFFFAOYSA-N 1 0 345.447 2.947 20 10 EFCDRO CCOc1cc(NC2CC[NH+](Cc3cc(C)ccc3O)CC2)ncn1 ZINC000185663632 1120428693 /nfs/dbraw/zinc/42/86/93/1120428693.db2.gz ZZCHQVLYOZELFY-UHFFFAOYSA-N 1 0 342.443 2.966 20 10 EFCDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)no1 ZINC000052084271 214116716 /nfs/dbraw/zinc/11/67/16/214116716.db2.gz RUHFJEOGKVHCJX-UHFFFAOYSA-N 1 0 343.427 2.700 20 10 EFCDRO C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000186126927 299273596 /nfs/dbraw/zinc/27/35/96/299273596.db2.gz KERDXXXBYMGVTB-KKXDTOCCSA-N 1 0 336.451 2.950 20 10 EFCDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000160637893 239053358 /nfs/dbraw/zinc/05/33/58/239053358.db2.gz IYIGMBYJEHRSRJ-GMBSWORKSA-N 1 0 336.451 2.864 20 10 EFCDRO COc1ccc(OCC[N@H+](C)Cc2ccccc2O)c([N+](=O)[O-])c1 ZINC000173358778 239189544 /nfs/dbraw/zinc/18/95/44/239189544.db2.gz PKWBPXMSNFZOAL-UHFFFAOYSA-N 1 0 332.356 2.820 20 10 EFCDRO CCc1nsc(N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000173473848 239191040 /nfs/dbraw/zinc/19/10/40/239191040.db2.gz GCNOSKNCEDJCKZ-UHFFFAOYSA-N 1 0 332.473 2.745 20 10 EFCDRO COCCCOC1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000175716191 239283038 /nfs/dbraw/zinc/28/30/38/239283038.db2.gz UJVUIOJUYBEZRN-UHFFFAOYSA-N 1 0 339.407 2.751 20 10 EFCDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C[N@@H+]1C1CC1 ZINC000177708240 239388045 /nfs/dbraw/zinc/38/80/45/239388045.db2.gz HOLOFGSEZADYQP-DOTOQJQBSA-N 1 0 342.487 2.711 20 10 EFCDRO Cc1cc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)n1-c1ccccn1 ZINC000177183979 239362272 /nfs/dbraw/zinc/36/22/72/239362272.db2.gz MSJVUTJOPOCVGY-CJNGLKHVSA-N 1 0 338.455 2.844 20 10 EFCDRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc4c(c3)CCO4)C2=O)cc1 ZINC000191809179 240007833 /nfs/dbraw/zinc/00/78/33/240007833.db2.gz WCMVOHJGBWIBHT-IBGZPJMESA-N 1 0 336.435 2.821 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2=O)c1 ZINC000191809307 240007924 /nfs/dbraw/zinc/00/79/24/240007924.db2.gz QXQBJRQXSWWCQX-GOSISDBHSA-N 1 0 340.423 2.600 20 10 EFCDRO COC(=O)C[C@@](C)([NH2+]Cc1cc(C)c(C)cc1O)c1ccncc1 ZINC000191903536 240010654 /nfs/dbraw/zinc/01/06/54/240010654.db2.gz ZXVVDRJNSHENPC-LJQANCHMSA-N 1 0 328.412 2.972 20 10 EFCDRO Oc1ccccc1C[N@H+](CCO[C@H]1CCCCO1)C[C@@H]1CCCO1 ZINC000193071268 240083321 /nfs/dbraw/zinc/08/33/21/240083321.db2.gz JKELRZASUOMTFX-HKUYNNGSSA-N 1 0 335.444 2.916 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)[C@H]3CC34CC[NH2+]CC4)cc2)CC1 ZINC000236733761 240235579 /nfs/dbraw/zinc/23/55/79/240235579.db2.gz IGHTXAQCYCIJDT-LJQANCHMSA-N 1 0 341.499 2.929 20 10 EFCDRO C[NH2+]CC1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000237076463 240238730 /nfs/dbraw/zinc/23/87/30/240238730.db2.gz HYBJHRYGZKWZJQ-UHFFFAOYSA-N 1 0 326.444 2.561 20 10 EFCDRO CN(C(=O)Cc1ccc(N)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237292191 240240160 /nfs/dbraw/zinc/24/01/60/240240160.db2.gz PUWDWEFIDDTLJZ-FQEVSTJZSA-N 1 0 337.467 2.934 20 10 EFCDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000263722357 240386374 /nfs/dbraw/zinc/38/63/74/240386374.db2.gz WLHNGPMERNZXIL-INIZCTEOSA-N 1 0 326.440 2.870 20 10 EFCDRO O=S1(=O)CC[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000263720412 240387438 /nfs/dbraw/zinc/38/74/38/240387438.db2.gz WGQCZVYQHWRIEB-AWEZNQCLSA-N 1 0 331.437 2.584 20 10 EFCDRO Cc1ccc([C@@H](CNC(=O)NCc2ccccc2O)[NH+]2CCCC2)o1 ZINC000263691543 240389827 /nfs/dbraw/zinc/38/98/27/240389827.db2.gz MRJAEZLBYVMHDP-MRXNPFEDSA-N 1 0 343.427 2.930 20 10 EFCDRO CCOc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000263737532 240389928 /nfs/dbraw/zinc/38/99/28/240389928.db2.gz ZOCBEPKOKLMHRY-KRWDZBQOSA-N 1 0 340.423 2.682 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H](C)C3)cc2F)CC1 ZINC000261478416 240315071 /nfs/dbraw/zinc/31/50/71/240315071.db2.gz ZDICFAHIGJMVFE-HNNXBMFYSA-N 1 0 348.466 2.519 20 10 EFCDRO CCOCc1cc(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)ccc1OC ZINC000279853395 240850080 /nfs/dbraw/zinc/85/00/80/240850080.db2.gz RZFZDZDOEZXUDU-KRWDZBQOSA-N 1 0 334.460 2.580 20 10 EFCDRO CN(C)c1ccc(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)cc1 ZINC000288375530 241009828 /nfs/dbraw/zinc/00/98/28/241009828.db2.gz FNDUDHYBYCUVQV-QGZVFWFLSA-N 1 0 341.455 2.853 20 10 EFCDRO OCC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1 ZINC000288501256 241014200 /nfs/dbraw/zinc/01/42/00/241014200.db2.gz RYPGKKKZUITJPI-AWEZNQCLSA-N 1 0 335.787 2.988 20 10 EFCDRO CC[N@@H+]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)[C@@H](C)C1 ZINC000288467891 241014301 /nfs/dbraw/zinc/01/43/01/241014301.db2.gz OORQBYYOGKPYOK-HNNXBMFYSA-N 1 0 326.444 2.655 20 10 EFCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1O ZINC000291654324 241027320 /nfs/dbraw/zinc/02/73/20/241027320.db2.gz UUWXQHZEJBBELG-LBPRGKRZSA-N 1 0 330.350 2.591 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)[C@@H]2COC[C@H]2O)cc1 ZINC000295980049 241070038 /nfs/dbraw/zinc/07/00/38/241070038.db2.gz JIYAREMKESFHCM-QZTJIDSGSA-N 1 0 332.469 2.576 20 10 EFCDRO COC(=O)COc1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000296225290 241079077 /nfs/dbraw/zinc/07/90/77/241079077.db2.gz AIGJSJDQTOKSCU-INIZCTEOSA-N 1 0 327.380 2.721 20 10 EFCDRO Cc1cnccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000296460770 241086801 /nfs/dbraw/zinc/08/68/01/241086801.db2.gz OSZANPNGTDWUFT-UHFFFAOYSA-N 1 0 329.419 2.780 20 10 EFCDRO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)n1-c1ccccn1 ZINC000297039816 241108364 /nfs/dbraw/zinc/10/83/64/241108364.db2.gz OHLVEPUOBUTXKJ-ALOPSCKCSA-N 1 0 338.455 2.844 20 10 EFCDRO CC[NH+](CC)CCOc1ccc(C(=O)NCc2ccc(N)cc2)cc1 ZINC000297324236 241117608 /nfs/dbraw/zinc/11/76/08/241117608.db2.gz XFEGRKSXSKZWFI-UHFFFAOYSA-N 1 0 341.455 2.919 20 10 EFCDRO COc1ccncc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000294486078 241047097 /nfs/dbraw/zinc/04/70/97/241047097.db2.gz XMWFMPCICJBVPT-AWEZNQCLSA-N 1 0 345.418 2.917 20 10 EFCDRO O=S(=O)(CCC[NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000295839009 241064615 /nfs/dbraw/zinc/06/46/15/241064615.db2.gz FLBGSIMNRSRMQA-INIZCTEOSA-N 1 0 331.437 2.833 20 10 EFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@]2(CO)CCc3ccccc32)c1O ZINC000305738320 241202880 /nfs/dbraw/zinc/20/28/80/241202880.db2.gz QPEHHTLALABAAA-IBGZPJMESA-N 1 0 329.371 2.658 20 10 EFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@]2(CO)CCc3ccccc32)c1O ZINC000305738321 241203167 /nfs/dbraw/zinc/20/31/67/241203167.db2.gz QPEHHTLALABAAA-LJQANCHMSA-N 1 0 329.371 2.658 20 10 EFCDRO CN(C)c1ccc(CN(C(=O)NC2CC[NH+](C)CC2)C2CC2)cc1 ZINC000298891225 241162734 /nfs/dbraw/zinc/16/27/34/241162734.db2.gz ZOXFKBGMBMPHRD-UHFFFAOYSA-N 1 0 330.476 2.521 20 10 EFCDRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(O)c1O ZINC000311213635 241203738 /nfs/dbraw/zinc/20/37/38/241203738.db2.gz QJYNYYDRBMJNIA-INIZCTEOSA-N 1 0 340.423 2.740 20 10 EFCDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299388056 241175665 /nfs/dbraw/zinc/17/56/65/241175665.db2.gz RIAAITKAMWEJJQ-RBUKOAKNSA-N 1 0 347.503 2.552 20 10 EFCDRO COc1cccc([C@H](CNC(=O)NCc2ccccc2O)[NH+](C)C)c1 ZINC000299561597 241180738 /nfs/dbraw/zinc/18/07/38/241180738.db2.gz ZTCCMYROLHLTIV-KRWDZBQOSA-N 1 0 343.427 2.503 20 10 EFCDRO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2ccccc2O)c1 ZINC000299558669 241181052 /nfs/dbraw/zinc/18/10/52/241181052.db2.gz ZCKFZAJEFIWXAB-UHFFFAOYSA-N 1 0 327.428 2.843 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC3(CC)CC3)cc2F)CC1 ZINC000297817472 241135722 /nfs/dbraw/zinc/13/57/22/241135722.db2.gz XIEUFVKLRHZSBF-UHFFFAOYSA-N 1 0 348.466 2.709 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000350090414 241880649 /nfs/dbraw/zinc/88/06/49/241880649.db2.gz DQDOWCZHHKHOSB-HOCLYGCPSA-N 1 0 340.471 2.865 20 10 EFCDRO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1cccc(O)c1O ZINC000366097173 242341598 /nfs/dbraw/zinc/34/15/98/242341598.db2.gz UDXTZNMNOMEUKO-UHFFFAOYSA-N 1 0 332.444 2.872 20 10 EFCDRO Cc1cc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)c(C)n1-c1ccccn1 ZINC000364138710 242291951 /nfs/dbraw/zinc/29/19/51/242291951.db2.gz LHZBJXYFYIGCGM-UHFFFAOYSA-N 1 0 347.422 2.782 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1 ZINC000367226767 242376645 /nfs/dbraw/zinc/37/66/45/242376645.db2.gz PVOFJVCVHCPETK-KRWDZBQOSA-N 1 0 338.455 2.998 20 10 EFCDRO Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCCCNC2=O)c1O ZINC000367728224 242389662 /nfs/dbraw/zinc/38/96/62/242389662.db2.gz UYOLFOBNGLLYGS-CYBMUJFWSA-N 1 0 341.249 2.564 20 10 EFCDRO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1[C@H]1CCCO1 ZINC000367940019 242396312 /nfs/dbraw/zinc/39/63/12/242396312.db2.gz BJOPYJWCIVZKDK-RTBURBONSA-N 1 0 330.472 2.913 20 10 EFCDRO COCCOC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177350858 533114163 /nfs/dbraw/zinc/11/41/63/533114163.db2.gz SJVFIXAHNKMVEC-CYBMUJFWSA-N 1 0 341.835 2.733 20 10 EFCDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2cccc(C)c2O)cc1 ZINC000154874405 224319681 /nfs/dbraw/zinc/31/96/81/224319681.db2.gz NIKGMHOFVCKZQL-OAHLLOKOSA-N 1 0 333.453 2.961 20 10 EFCDRO C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000163489343 533369142 /nfs/dbraw/zinc/36/91/42/533369142.db2.gz QQGVHFHPABTVDW-QGZVFWFLSA-N 1 0 345.487 2.576 20 10 EFCDRO COc1cccc(CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1O ZINC000173892839 533497663 /nfs/dbraw/zinc/49/76/63/533497663.db2.gz LHYZTPGCYRDFQW-OAHLLOKOSA-N 1 0 349.475 2.855 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)cc1C ZINC000048785431 533658271 /nfs/dbraw/zinc/65/82/71/533658271.db2.gz VXSBCDPSDCHRKY-UHFFFAOYSA-N 1 0 339.439 2.793 20 10 EFCDRO Cc1ccc([C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)N2CCOCC2)o1 ZINC000295914902 292202340 /nfs/dbraw/zinc/20/23/40/292202340.db2.gz JKSCPJCYXVLLLZ-IAGOWNOFSA-N 1 0 342.439 2.944 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000092506643 544546561 /nfs/dbraw/zinc/54/65/61/544546561.db2.gz BHISQYYMSXKRPW-SOLBZPMBSA-N 1 0 348.487 2.865 20 10 EFCDRO CC[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C(=O)N1CCOCC1 ZINC000185665224 276638275 /nfs/dbraw/zinc/63/82/75/276638275.db2.gz GNUANOKGFZGLHY-KSSFIOAISA-N 1 0 346.471 2.559 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)cc1 ZINC000187026701 279169897 /nfs/dbraw/zinc/16/98/97/279169897.db2.gz SGMJFTAWYDVDAL-HNNXBMFYSA-N 1 0 338.517 2.836 20 10 EFCDRO C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413536646 279201260 /nfs/dbraw/zinc/20/12/60/279201260.db2.gz VXWOPQNKSSCNJS-QLFBSQMISA-N 1 0 331.460 2.739 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc2ccccc2c1O ZINC000273621449 279534720 /nfs/dbraw/zinc/53/47/20/279534720.db2.gz ZDTHUWOUIHBWGS-ZFWWWQNUSA-N 1 0 348.468 2.620 20 10 EFCDRO COc1cccc(C[NH2+]CCCC(=O)N2CCc3ccccc32)c1O ZINC000111409616 473212025 /nfs/dbraw/zinc/21/20/25/473212025.db2.gz SQHHRTNRLCELHG-UHFFFAOYSA-N 1 0 340.423 2.860 20 10 EFCDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000124128703 473214143 /nfs/dbraw/zinc/21/41/43/473214143.db2.gz KHMIZZSQPLPSBB-MRXNPFEDSA-N 1 0 335.467 2.876 20 10 EFCDRO CC(C)C(=O)NCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000184869009 473258996 /nfs/dbraw/zinc/25/89/96/473258996.db2.gz POZBXKLPPSWEAC-JTQLQIEISA-N 1 0 329.238 2.578 20 10 EFCDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000184947326 473280979 /nfs/dbraw/zinc/28/09/79/473280979.db2.gz CVPXRAHHKZZQOJ-APPDUMDISA-N 1 0 335.375 2.933 20 10 EFCDRO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1 ZINC000185159248 473346589 /nfs/dbraw/zinc/34/65/89/473346589.db2.gz OASALWUMGTUMLJ-UHFFFAOYSA-N 1 0 345.468 2.629 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000185164316 473347300 /nfs/dbraw/zinc/34/73/00/473347300.db2.gz LHUSUFSQHUVJQB-UONOGXRCSA-N 1 0 326.396 2.857 20 10 EFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000185194868 473358117 /nfs/dbraw/zinc/35/81/17/473358117.db2.gz HMOGHLXUEYVDAK-HNNXBMFYSA-N 1 0 348.468 2.638 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000150938811 473383529 /nfs/dbraw/zinc/38/35/29/473383529.db2.gz ZRZQZBQIGQWTBX-QGZVFWFLSA-N 1 0 332.492 2.530 20 10 EFCDRO Cc1n[nH]cc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000113359191 473387465 /nfs/dbraw/zinc/38/74/65/473387465.db2.gz LZBULGRLASZMDU-MRXNPFEDSA-N 1 0 334.851 2.831 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)c1 ZINC000185303677 473389517 /nfs/dbraw/zinc/38/95/17/473389517.db2.gz QUIIRDKHBGXVEZ-ZDUSSCGKSA-N 1 0 344.411 2.577 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000349606754 475977801 /nfs/dbraw/zinc/97/78/01/475977801.db2.gz BPIGDOKDWJFFDN-DYVFJYSZSA-N 1 0 340.471 2.769 20 10 EFCDRO CCOc1cccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1O ZINC000000228624 471338931 /nfs/dbraw/zinc/33/89/31/471338931.db2.gz WFLPRDXYVBKDRZ-GOEBONIOSA-N 1 0 340.423 2.572 20 10 EFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3CCCC3)CC2)cc1 ZINC000011853407 471760668 /nfs/dbraw/zinc/76/06/68/471760668.db2.gz HEVDSOGUCHXNGI-UHFFFAOYSA-N 1 0 345.487 2.514 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NC2CC[NH+](C)CC2)cc1F ZINC000066976066 471978638 /nfs/dbraw/zinc/97/86/38/471978638.db2.gz CBSCCGCNHDWAAE-UHFFFAOYSA-N 1 0 336.455 2.565 20 10 EFCDRO COc1ccc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)c(OC)c1 ZINC000022311357 472012990 /nfs/dbraw/zinc/01/29/90/472012990.db2.gz CBLHLTAGWIOPBR-UHFFFAOYSA-N 1 0 331.368 2.770 20 10 EFCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000154158220 472396020 /nfs/dbraw/zinc/39/60/20/472396020.db2.gz RIIZTITVZZQTHJ-STQMWFEESA-N 1 0 334.441 2.712 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CCC[N@H+](C)CC3)c2C)cc1 ZINC000096942993 472400323 /nfs/dbraw/zinc/40/03/23/472400323.db2.gz AOYMOCFPQVYIGP-UHFFFAOYSA-N 1 0 341.455 2.880 20 10 EFCDRO C[C@@H]1CCCN(C(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000096970979 472403021 /nfs/dbraw/zinc/40/30/21/472403021.db2.gz DGCBYPQYMGJHLO-AEFFLSMTSA-N 1 0 346.471 2.632 20 10 EFCDRO CC(C)C[NH+]1CCC(NC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000046072386 472508132 /nfs/dbraw/zinc/50/81/32/472508132.db2.gz DAHAPTJXLNXWOM-UHFFFAOYSA-N 1 0 332.492 2.672 20 10 EFCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CCCCNC1=O ZINC000119216428 472536190 /nfs/dbraw/zinc/53/61/90/472536190.db2.gz RIDDXXUPUMLQAZ-CYBMUJFWSA-N 1 0 341.249 2.645 20 10 EFCDRO CC(C)([NH2+]Cc1cc2c(cc1O)OCO2)C(=O)NCC1CCCCC1 ZINC000129508810 472548259 /nfs/dbraw/zinc/54/82/59/472548259.db2.gz XEQGMBGPOJVYAW-UHFFFAOYSA-N 1 0 348.443 2.686 20 10 EFCDRO COc1cccc(C[NH2+]C(C)(C)C(=O)NCC2CCCCC2)c1O ZINC000129510790 472549559 /nfs/dbraw/zinc/54/95/59/472549559.db2.gz JKUXMLCWIJBYRZ-UHFFFAOYSA-N 1 0 334.460 2.966 20 10 EFCDRO C[C@H]1CCC[N@H+](CCNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000046392391 472554362 /nfs/dbraw/zinc/55/43/62/472554362.db2.gz HZUPCJYGOKMQKV-INIZCTEOSA-N 1 0 332.492 2.626 20 10 EFCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c1O ZINC000090003493 472576827 /nfs/dbraw/zinc/57/68/27/472576827.db2.gz ZHXLMYMVHSHJNH-CQSZACIVSA-N 1 0 345.418 2.922 20 10 EFCDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(N(C)C)c(F)c1)CC2 ZINC000130232136 472591760 /nfs/dbraw/zinc/59/17/60/472591760.db2.gz SFKYQHQHPNJOHU-QZTJIDSGSA-N 1 0 336.451 2.644 20 10 EFCDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1ccc(N(C)C)cc1 ZINC000090395281 472614099 /nfs/dbraw/zinc/61/40/99/472614099.db2.gz GPBJLEIIUHMGPC-NVXWUHKLSA-N 1 0 343.475 2.546 20 10 EFCDRO Cc1cc(C(=O)N(C)CC2CC[NH+](C)CC2)c(C)n1-c1ccccn1 ZINC000103451905 472635460 /nfs/dbraw/zinc/63/54/60/472635460.db2.gz RUXNHBGCRBSAPT-UHFFFAOYSA-N 1 0 340.471 2.903 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000090591773 472639992 /nfs/dbraw/zinc/63/99/92/472639992.db2.gz SUCLGHOFWAJXOE-IUODEOHRSA-N 1 0 343.393 2.957 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCN3CCC(C)CC3)CC2)cc1 ZINC000156002305 472653571 /nfs/dbraw/zinc/65/35/71/472653571.db2.gz BPRLUXMTLKDQOL-UHFFFAOYSA-N 1 0 331.504 2.986 20 10 EFCDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000104289226 472664910 /nfs/dbraw/zinc/66/49/10/472664910.db2.gz QEILSOCOYDKPPN-LJQANCHMSA-N 1 0 345.487 2.608 20 10 EFCDRO CC(=O)c1cc(F)cc(CN2CC[C@@H](Oc3ccncc3)C2)c1O ZINC000131843792 472697279 /nfs/dbraw/zinc/69/72/79/472697279.db2.gz UEFOTFGNRLVJBW-MRXNPFEDSA-N 1 0 330.359 2.782 20 10 EFCDRO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000131974563 472706103 /nfs/dbraw/zinc/70/61/03/472706103.db2.gz YWDBFIBSIJQUJE-CQSZACIVSA-N 1 0 347.484 2.512 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NCC3CC[NH2+]CC3)c2C)cc1 ZINC000120596660 472715998 /nfs/dbraw/zinc/71/59/98/472715998.db2.gz AGKQKZCLJIZULY-UHFFFAOYSA-N 1 0 341.455 2.832 20 10 EFCDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000120669218 472728233 /nfs/dbraw/zinc/72/82/33/472728233.db2.gz PULXXVFDERQMIE-APWZRJJASA-N 1 0 342.487 2.544 20 10 EFCDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000105447759 472752487 /nfs/dbraw/zinc/75/24/87/472752487.db2.gz LXRACRQHSIYMMF-INIZCTEOSA-N 1 0 326.440 2.950 20 10 EFCDRO CC[N@H+](C)[C@H](C(=O)NCc1cccc(OC)c1O)c1ccccc1 ZINC000105649788 472765176 /nfs/dbraw/zinc/76/51/76/472765176.db2.gz UCPFWQBZZYUQSZ-KRWDZBQOSA-N 1 0 328.412 2.710 20 10 EFCDRO CC[C@H]([NH2+]CC[C@H](O)COC)c1cc(Br)ccc1O ZINC000156985863 472772937 /nfs/dbraw/zinc/77/29/37/472772937.db2.gz KJBKYNWAQMGPNQ-AAEUAGOBSA-N 1 0 332.238 2.593 20 10 EFCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000157068070 472781166 /nfs/dbraw/zinc/78/11/66/472781166.db2.gz QRKYYLKOMOAWGU-ZDUSSCGKSA-N 1 0 335.448 2.617 20 10 EFCDRO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1)OCO2 ZINC000091958897 472831788 /nfs/dbraw/zinc/83/17/88/472831788.db2.gz ZLXYXNFARGBQRO-UKRRQHHQSA-N 1 0 331.368 2.802 20 10 EFCDRO CCn1nc(C)c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC000121304014 472832504 /nfs/dbraw/zinc/83/25/04/472832504.db2.gz AIXRENBEQQTYJZ-UHFFFAOYSA-N 1 0 342.487 2.988 20 10 EFCDRO COc1cccc(CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1O ZINC000073658766 472847801 /nfs/dbraw/zinc/84/78/01/472847801.db2.gz RUBSZUYHEJHAGA-AWEZNQCLSA-N 1 0 349.456 2.564 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000079460486 472867601 /nfs/dbraw/zinc/86/76/01/472867601.db2.gz VVXHXOFQQAHSOP-QGZVFWFLSA-N 1 0 344.503 2.768 20 10 EFCDRO CCC[N@H+](C)C[C@H]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000121567996 472873648 /nfs/dbraw/zinc/87/36/48/472873648.db2.gz SCRKKARVROCDMY-CYBMUJFWSA-N 1 0 337.420 2.780 20 10 EFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cccnc1 ZINC000158029681 472884770 /nfs/dbraw/zinc/88/47/70/472884770.db2.gz FEKPPPJOGRKVIH-INIZCTEOSA-N 1 0 345.830 2.835 20 10 EFCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@@H](O)COCc2ccccc2)c1 ZINC000092472571 472918447 /nfs/dbraw/zinc/91/84/47/472918447.db2.gz ISBCPXIHTHVDIR-GOSISDBHSA-N 1 0 345.439 2.800 20 10 EFCDRO CS[C@H]1CCCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000134607129 472938148 /nfs/dbraw/zinc/93/81/48/472938148.db2.gz NYRNVKXHCSFAJD-KRWDZBQOSA-N 1 0 335.517 2.586 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000092704265 472968386 /nfs/dbraw/zinc/96/83/86/472968386.db2.gz GZXXVEOGBJPVEI-CQSZACIVSA-N 1 0 336.432 2.890 20 10 EFCDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000092731235 472973022 /nfs/dbraw/zinc/97/30/22/472973022.db2.gz HPMPKMFPJGXRAQ-GOEBONIOSA-N 1 0 334.460 2.918 20 10 EFCDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCCC)cc2O)C1 ZINC000092734260 472974788 /nfs/dbraw/zinc/97/47/88/472974788.db2.gz NRDRCOCPLPCBSX-MRXNPFEDSA-N 1 0 334.460 2.919 20 10 EFCDRO CC(C)CC[NH+]1CCC(CNC(=O)NCc2ccccc2O)CC1 ZINC000080105865 472977313 /nfs/dbraw/zinc/97/73/13/472977313.db2.gz VSDWLNQFTGSBHS-UHFFFAOYSA-N 1 0 333.476 2.950 20 10 EFCDRO CCOc1cccc(C[NH+]2CCN(Cc3cccc(O)c3)CC2)c1O ZINC000092789555 472985256 /nfs/dbraw/zinc/98/52/56/472985256.db2.gz WUPLIYOQBMLMGG-UHFFFAOYSA-N 1 0 342.439 2.814 20 10 EFCDRO Cn1nccc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000080202405 472995401 /nfs/dbraw/zinc/99/54/01/472995401.db2.gz QGQUMPGMJADALQ-OAHLLOKOSA-N 1 0 334.851 2.533 20 10 EFCDRO CC[NH+](CC)[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1 ZINC000122385640 473008362 /nfs/dbraw/zinc/00/83/62/473008362.db2.gz PNWJRHRMEUHPQX-LJQANCHMSA-N 1 0 342.439 2.840 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(-n2cnnn2)cc1 ZINC000122474587 473019076 /nfs/dbraw/zinc/01/90/76/473019076.db2.gz HZFKFPDVZVZJRT-ZDUSSCGKSA-N 1 0 340.406 2.718 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1O ZINC000093134097 473048012 /nfs/dbraw/zinc/04/80/12/473048012.db2.gz YUEPXJWANBHVIU-HNNXBMFYSA-N 1 0 342.443 2.708 20 10 EFCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000066179908 473056548 /nfs/dbraw/zinc/05/65/48/473056548.db2.gz AGXQCEXIAYYGIG-MRXNPFEDSA-N 1 0 332.492 2.816 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000108928667 473066686 /nfs/dbraw/zinc/06/66/86/473066686.db2.gz QXXFQGRNXXNPIW-OAHLLOKOSA-N 1 0 331.460 2.798 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H]3C[C@H](C)N(C4CC4)C3)CC2)cc1 ZINC000123155119 473104656 /nfs/dbraw/zinc/10/46/56/473104656.db2.gz NTMDEVQECPYJCV-DOTOQJQBSA-N 1 0 329.488 2.879 20 10 EFCDRO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000093454670 473109884 /nfs/dbraw/zinc/10/98/84/473109884.db2.gz UQEGQWWCPLKODX-INIZCTEOSA-N 1 0 335.835 2.725 20 10 EFCDRO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+](C)Cc1ccccc1O ZINC000109770655 473119994 /nfs/dbraw/zinc/11/99/94/473119994.db2.gz CREYFBDDTAIVNZ-ZDUSSCGKSA-N 1 0 330.453 2.859 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCC)c1O ZINC000093613657 473126156 /nfs/dbraw/zinc/12/61/56/473126156.db2.gz UOQQSOPEZGBNDL-SJORKVTESA-N 1 0 335.444 2.543 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)c1 ZINC000136031544 473129922 /nfs/dbraw/zinc/12/99/22/473129922.db2.gz VQBIUESBSMZPAI-UHFFFAOYSA-N 1 0 334.460 2.966 20 10 EFCDRO c1cc(N2CCCCC2)ccc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000093663986 473132636 /nfs/dbraw/zinc/13/26/36/473132636.db2.gz GEHMHFGKVKDWCM-FQEVSTJZSA-N 1 0 343.515 2.831 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1O ZINC000093820039 473150106 /nfs/dbraw/zinc/15/01/06/473150106.db2.gz NBSXFTAEDZGDCW-OAHLLOKOSA-N 1 0 342.233 2.776 20 10 EFCDRO COc1cccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1O ZINC000093842360 473151975 /nfs/dbraw/zinc/15/19/75/473151975.db2.gz VIPMHAKRURUITP-KRWDZBQOSA-N 1 0 335.444 2.951 20 10 EFCDRO Oc1cccc(Cl)c1CNC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000136578949 473164617 /nfs/dbraw/zinc/16/46/17/473164617.db2.gz MJXWVFQMCREFFF-AEFFLSMTSA-N 1 0 338.879 2.903 20 10 EFCDRO Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000111236239 473197663 /nfs/dbraw/zinc/19/76/63/473197663.db2.gz BGADNVGAEDBNML-MRXNPFEDSA-N 1 0 326.440 2.880 20 10 EFCDRO COc1ccccc1[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000111236124 473198531 /nfs/dbraw/zinc/19/85/31/473198531.db2.gz DNAHWHYPMRDOIU-AWEZNQCLSA-N 1 0 328.412 2.710 20 10 EFCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc3c(cc1O)CCCC3)CC2 ZINC000185317898 473392773 /nfs/dbraw/zinc/39/27/73/473392773.db2.gz TZUFZLQCGUIKRK-LRDDRELGSA-N 1 0 326.444 2.837 20 10 EFCDRO COc1ncccc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151144002 473415415 /nfs/dbraw/zinc/41/54/15/473415415.db2.gz SJTWXTRMELUKBW-CQSZACIVSA-N 1 0 345.418 2.917 20 10 EFCDRO CC1CC[NH+](CCNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000125812754 473459506 /nfs/dbraw/zinc/45/95/06/473459506.db2.gz HAMOWYZNNPUGGW-UHFFFAOYSA-N 1 0 342.487 2.594 20 10 EFCDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000125814050 473460105 /nfs/dbraw/zinc/46/01/05/473460105.db2.gz ONLDHYNXFZIXHT-QGZVFWFLSA-N 1 0 342.487 2.594 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(O)(c3ccccc3)CC2)cc1OC ZINC000185641145 473475962 /nfs/dbraw/zinc/47/59/62/473475962.db2.gz KTZKRZJSIODTEA-UHFFFAOYSA-N 1 0 343.423 2.893 20 10 EFCDRO CC[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1O)C(=O)N1CCOCC1 ZINC000185665110 473483608 /nfs/dbraw/zinc/48/36/08/473483608.db2.gz QDRBYWMXNUBDTN-RDTXWAMCSA-N 1 0 342.439 2.833 20 10 EFCDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185673896 473484942 /nfs/dbraw/zinc/48/49/42/473484942.db2.gz WJLRCCRMGQZNGJ-GMXVVIOVSA-N 1 0 344.249 2.999 20 10 EFCDRO C[C@@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185672980 473485676 /nfs/dbraw/zinc/48/56/76/473485676.db2.gz CVYSVSYSTVMFTB-GVXVVHGQSA-N 1 0 344.249 2.999 20 10 EFCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H](c1ccccc1)N(C)C ZINC000185680019 473487595 /nfs/dbraw/zinc/48/75/95/473487595.db2.gz LGNVSDPYPFRQHW-DJJJIMSYSA-N 1 0 328.412 2.902 20 10 EFCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000178665427 473543374 /nfs/dbraw/zinc/54/33/74/473543374.db2.gz AZVATVRXYWYJFD-HUUCEWRRSA-N 1 0 328.460 2.977 20 10 EFCDRO Nc1ccc(CC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000178688009 473545349 /nfs/dbraw/zinc/54/53/49/473545349.db2.gz DIMAGHRTAXIUGK-UHFFFAOYSA-N 1 0 337.467 2.635 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000178711454 473546055 /nfs/dbraw/zinc/54/60/55/473546055.db2.gz DYFXOWNLZAOJHE-IBGZPJMESA-N 1 0 325.456 2.719 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)C2([NH3+])Cc3ccccc3C2)cc1 ZINC000178711653 473546303 /nfs/dbraw/zinc/54/63/03/473546303.db2.gz SVZWQETUPOXPMR-UHFFFAOYSA-N 1 0 337.467 2.645 20 10 EFCDRO C[C@H]([NH2+]CCCn1cccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000127018028 473569218 /nfs/dbraw/zinc/56/92/18/473569218.db2.gz TXHANMSYFMGYAU-HNNXBMFYSA-N 1 0 332.423 2.600 20 10 EFCDRO CSCC[C@@H](C)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000178894537 473585268 /nfs/dbraw/zinc/58/52/68/473585268.db2.gz ABXIFNICNKGCBO-OAHLLOKOSA-N 1 0 337.533 2.784 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Cl)ccc1O ZINC000186082001 473587366 /nfs/dbraw/zinc/58/73/66/473587366.db2.gz WCACEHRCBFYRKM-RISCZKNCSA-N 1 0 348.834 2.625 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cc(Br)ccc1O ZINC000186088022 473588462 /nfs/dbraw/zinc/58/84/62/473588462.db2.gz OJKZNLCFNYBYLP-MWLCHTKSSA-N 1 0 339.233 2.569 20 10 EFCDRO C[C@@H]([NH2+]CC1(CO)CCOCC1)c1cc(Br)ccc1O ZINC000186149375 473600597 /nfs/dbraw/zinc/60/05/97/473600597.db2.gz XXEQPNCHJCRFHR-LLVKDONJSA-N 1 0 344.249 2.594 20 10 EFCDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000179003194 473609325 /nfs/dbraw/zinc/60/93/25/473609325.db2.gz IMAPAABSMOPJRU-OAHLLOKOSA-N 1 0 329.419 2.915 20 10 EFCDRO COc1cccc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1O ZINC000179058859 473620753 /nfs/dbraw/zinc/62/07/53/473620753.db2.gz UMKTZVPQXULIFJ-MRXNPFEDSA-N 1 0 340.423 2.539 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000153761308 473640472 /nfs/dbraw/zinc/64/04/72/473640472.db2.gz YEDTWKFCCHTFGU-UZLBHIALSA-N 1 0 326.440 2.907 20 10 EFCDRO CC[C@@H]([NH2+]CC1(C)OCCO1)c1cc(Br)ccc1O ZINC000186306896 473643499 /nfs/dbraw/zinc/64/34/99/473643499.db2.gz ORDPVSSTTDOHSS-GFCCVEGCSA-N 1 0 330.222 2.958 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1 ZINC000179344123 473677160 /nfs/dbraw/zinc/67/71/60/473677160.db2.gz XPZJSMCDHFBVTH-OAHLLOKOSA-N 1 0 332.444 2.529 20 10 EFCDRO COc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1O ZINC000179534824 473693711 /nfs/dbraw/zinc/69/37/11/473693711.db2.gz JSIXKRHASUMKRM-UHFFFAOYSA-N 1 0 343.383 2.631 20 10 EFCDRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3O)C2)nc1 ZINC000179559365 473694729 /nfs/dbraw/zinc/69/47/29/473694729.db2.gz AJOINSKTDNWNOD-INIZCTEOSA-N 1 0 325.412 2.946 20 10 EFCDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3O)CC2)c(C)o1 ZINC000179568970 473695427 /nfs/dbraw/zinc/69/54/27/473695427.db2.gz BNTWZLHGLSGJPN-UHFFFAOYSA-N 1 0 328.412 2.996 20 10 EFCDRO COc1cc(CN2CC[NH+](Cc3ccccc3O)CC2)cc(OC)c1 ZINC000179583840 473696890 /nfs/dbraw/zinc/69/68/90/473696890.db2.gz JGIJMYJUUNNQPG-UHFFFAOYSA-N 1 0 342.439 2.727 20 10 EFCDRO Cc1cc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c(C)n1-c1ccccn1 ZINC000269174389 473718526 /nfs/dbraw/zinc/71/85/26/473718526.db2.gz GOJILUFPQZAVPU-ZBFHGGJFSA-N 1 0 326.444 2.607 20 10 EFCDRO COC(=O)CN(CCOC1CCC1)Cc1cc(Cl)ccc1O ZINC000287715676 473742243 /nfs/dbraw/zinc/74/22/43/473742243.db2.gz JXRDHTUKKSAUEN-UHFFFAOYSA-N 1 0 327.808 2.590 20 10 EFCDRO CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287731534 473746524 /nfs/dbraw/zinc/74/65/24/473746524.db2.gz PDKQSEOFXURHFV-CZUORRHYSA-N 1 0 325.884 2.722 20 10 EFCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000179886954 473749319 /nfs/dbraw/zinc/74/93/19/473749319.db2.gz QHUXFEOMWWUSOG-LBPRGKRZSA-N 1 0 328.206 2.682 20 10 EFCDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000179938412 473757757 /nfs/dbraw/zinc/75/77/57/473757757.db2.gz VZXZEBNGMYUZLW-LSDHHAIUSA-N 1 0 334.460 2.918 20 10 EFCDRO CC[C@@H]([NH2+][C@@H](CO)CCOC)c1cc(Br)ccc1O ZINC000281547312 473759556 /nfs/dbraw/zinc/75/95/56/473759556.db2.gz IYQFSDKKLKEAHD-DGCLKSJQSA-N 1 0 332.238 2.593 20 10 EFCDRO CC[C@H]([NH2+]CCCN(CC)S(C)(=O)=O)c1cccc(Cl)c1[O-] ZINC000287787366 473759746 /nfs/dbraw/zinc/75/97/46/473759746.db2.gz SNSYWUMMTMZREM-AWEZNQCLSA-N 1 0 348.896 2.758 20 10 EFCDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cc(F)ccc2O)CC1 ZINC000180011631 473776829 /nfs/dbraw/zinc/77/68/29/473776829.db2.gz YCAHURPXAXCTBL-HOTGVXAUSA-N 1 0 335.467 2.522 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNc3ncc(F)cn3)cc2F)CC1 ZINC000269438659 473811330 /nfs/dbraw/zinc/81/13/30/473811330.db2.gz AOUNSIAAFSNEHE-UHFFFAOYSA-N 1 0 333.386 2.509 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cccc(O)c1O ZINC000187118773 473821670 /nfs/dbraw/zinc/82/16/70/473821670.db2.gz QUQHKYDVYUGLAE-OAHLLOKOSA-N 1 0 340.423 2.834 20 10 EFCDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(O)c1O ZINC000187153625 473825859 /nfs/dbraw/zinc/82/58/59/473825859.db2.gz MXNTVNKTFFGYGO-INIZCTEOSA-N 1 0 340.423 2.692 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCSC3(CCOCC3)C2)cc1OC ZINC000274516284 473859118 /nfs/dbraw/zinc/85/91/18/473859118.db2.gz NYUAWAAAKOFPMI-UHFFFAOYSA-N 1 0 339.457 2.507 20 10 EFCDRO COC[C@@H](O)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187412679 473869568 /nfs/dbraw/zinc/86/95/68/473869568.db2.gz GHHFHCZUIRRHCF-JQWIXIFHSA-N 1 0 332.238 2.511 20 10 EFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCOCCO)c1O ZINC000187535204 473883142 /nfs/dbraw/zinc/88/31/42/473883142.db2.gz NLFOWHJIWKQWGR-LLVKDONJSA-N 1 0 332.238 2.513 20 10 EFCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000274596329 473888234 /nfs/dbraw/zinc/88/82/34/473888234.db2.gz JDXMEFVLMAOWHI-OAHLLOKOSA-N 1 0 333.476 2.511 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C(=O)NCCF)c1O ZINC000281933043 473889786 /nfs/dbraw/zinc/88/97/86/473889786.db2.gz BACHLFLLRBCFKM-VHSXEESVSA-N 1 0 347.228 2.588 20 10 EFCDRO C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OCc4ccccc4)cc3O)C[C@@H]2C1 ZINC000194541664 473913683 /nfs/dbraw/zinc/91/36/83/473913683.db2.gz CEBDOSBEDODBDP-KDURUIRLSA-N 1 0 338.451 2.965 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000180629533 473923785 /nfs/dbraw/zinc/92/37/85/473923785.db2.gz GAKPSXVXZICDIS-GOSISDBHSA-N 1 0 335.444 2.951 20 10 EFCDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180702248 473945989 /nfs/dbraw/zinc/94/59/89/473945989.db2.gz DEDBIMSELDNVIB-SQVJTMBNSA-N 1 0 332.444 2.594 20 10 EFCDRO CC[C@@H]([NH2+]CCc1nc(C)n[nH]1)c1cc(Br)ccc1O ZINC000274817007 473971106 /nfs/dbraw/zinc/97/11/06/473971106.db2.gz ZNSQTERIYAHQPD-GFCCVEGCSA-N 1 0 339.237 2.865 20 10 EFCDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(O)c1O ZINC000188163297 474005835 /nfs/dbraw/zinc/00/58/35/474005835.db2.gz PZLCRRQHUMONTF-UHFFFAOYSA-N 1 0 326.396 2.624 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000181237605 474019001 /nfs/dbraw/zinc/01/90/01/474019001.db2.gz OMJKSYTZKXKQEA-GVSOGPONSA-N 1 0 342.439 2.586 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000181237619 474019207 /nfs/dbraw/zinc/01/92/07/474019207.db2.gz OMJKSYTZKXKQEA-GRNKITJOSA-N 1 0 342.439 2.586 20 10 EFCDRO C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(Br)cc1O ZINC000282357511 474036693 /nfs/dbraw/zinc/03/66/93/474036693.db2.gz PNNOWSSGBLHJDB-DYBLOJMWSA-N 1 0 332.263 2.716 20 10 EFCDRO COCCN1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000264611856 474059053 /nfs/dbraw/zinc/05/90/53/474059053.db2.gz PRAOAFJKPNSHMH-LJQANCHMSA-N 1 0 326.440 2.870 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNc3ncc(C)cn3)cc2F)CC1 ZINC000270298813 474063061 /nfs/dbraw/zinc/06/30/61/474063061.db2.gz PSHNPYOJQFILRV-UHFFFAOYSA-N 1 0 329.423 2.678 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c1O ZINC000182088863 474097678 /nfs/dbraw/zinc/09/76/78/474097678.db2.gz NNCAABLSMGELGM-HNNXBMFYSA-N 1 0 329.444 2.979 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)cc1OC ZINC000182095508 474098829 /nfs/dbraw/zinc/09/88/29/474098829.db2.gz CMHQEHMYYZOFAT-OWJWWREXSA-N 1 0 349.452 2.619 20 10 EFCDRO Cc1ccc([C@H](C[NH2+]Cc2cccc(C)c2O)N2CCOCC2)o1 ZINC000182124955 474105491 /nfs/dbraw/zinc/10/54/91/474105491.db2.gz TVWWOBLSUNSOJM-KRWDZBQOSA-N 1 0 330.428 2.765 20 10 EFCDRO Cc1ccc([C@@H](C[NH2+]Cc2cccc(C)c2O)N2CCOCC2)o1 ZINC000182124976 474105559 /nfs/dbraw/zinc/10/55/59/474105559.db2.gz TVWWOBLSUNSOJM-QGZVFWFLSA-N 1 0 330.428 2.765 20 10 EFCDRO COc1cc(O)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000182195945 474120053 /nfs/dbraw/zinc/12/00/53/474120053.db2.gz DGGLFGAVQIYYQS-UHFFFAOYSA-N 1 0 332.356 2.650 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COc2cccc(C)c2)c1 ZINC000182340181 474153809 /nfs/dbraw/zinc/15/38/09/474153809.db2.gz PDJGEKBXYNJKKO-LSDHHAIUSA-N 1 0 331.412 2.800 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCS(=O)(=O)c2ccccc2)c1 ZINC000182368559 474159472 /nfs/dbraw/zinc/15/94/72/474159472.db2.gz WFYIXINZWGTELM-AWEZNQCLSA-N 1 0 349.452 2.915 20 10 EFCDRO CN(C)c1ccc(CN(C(=O)NCC[N@H+](C)C2CC2)C2CC2)cc1 ZINC000264889670 474159640 /nfs/dbraw/zinc/15/96/40/474159640.db2.gz SELNZHIMGMQGCE-UHFFFAOYSA-N 1 0 330.476 2.521 20 10 EFCDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000275369434 474161427 /nfs/dbraw/zinc/16/14/27/474161427.db2.gz VKGLFANPVIKADK-VHSXEESVSA-N 1 0 329.238 2.638 20 10 EFCDRO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000275369426 474161539 /nfs/dbraw/zinc/16/15/39/474161539.db2.gz VKGLFANPVIKADK-NXEZZACHSA-N 1 0 329.238 2.638 20 10 EFCDRO COc1cccc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1O ZINC000265277600 474171885 /nfs/dbraw/zinc/17/18/85/474171885.db2.gz WEXPSDRPIHGLRR-HNNXBMFYSA-N 1 0 326.396 2.575 20 10 EFCDRO COCCn1cc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000282763540 474184404 /nfs/dbraw/zinc/18/44/04/474184404.db2.gz OLBLSHWINGVROB-AWEZNQCLSA-N 1 0 329.444 2.965 20 10 EFCDRO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000282823996 474207416 /nfs/dbraw/zinc/20/74/16/474207416.db2.gz UIJRNQVOSRRHAR-QGZVFWFLSA-N 1 0 331.437 2.678 20 10 EFCDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cc(Cl)cc(OC)c2O)C1(C)C ZINC000188902709 474228718 /nfs/dbraw/zinc/22/87/18/474228718.db2.gz GVSILTIGFTZQFU-PBHICJAKSA-N 1 0 343.851 2.710 20 10 EFCDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cc(Cl)cc(OC)c2O)C1(C)C ZINC000188902752 474229230 /nfs/dbraw/zinc/22/92/30/474229230.db2.gz GVSILTIGFTZQFU-RHSMWYFYSA-N 1 0 343.851 2.710 20 10 EFCDRO CC[C@H]([NH2+][C@H](C)C(=O)NCCF)c1cc(Br)ccc1O ZINC000282896177 474233431 /nfs/dbraw/zinc/23/34/31/474233431.db2.gz WNJVSTRASBWVMD-SKDRFNHKSA-N 1 0 347.228 2.670 20 10 EFCDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1cc(Br)ccc1O ZINC000282896175 474233721 /nfs/dbraw/zinc/23/37/21/474233721.db2.gz WNJVSTRASBWVMD-JOYOIKCWSA-N 1 0 347.228 2.670 20 10 EFCDRO CC[C@H]([NH2+][C@@H](C)C(=O)NCCF)c1cc(Br)ccc1O ZINC000282896174 474234739 /nfs/dbraw/zinc/23/47/39/474234739.db2.gz WNJVSTRASBWVMD-CABZTGNLSA-N 1 0 347.228 2.670 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCN1CC(C)(C)O ZINC000188966499 474248588 /nfs/dbraw/zinc/24/85/88/474248588.db2.gz UFVCIRHIEJCDTH-OAHLLOKOSA-N 1 0 328.456 2.822 20 10 EFCDRO COc1cccc(C[NH2+]Cc2cc(C)nc(N3CCCC3)c2)c1O ZINC000289411055 474258041 /nfs/dbraw/zinc/25/80/41/474258041.db2.gz AGTVGPVGTGBACB-UHFFFAOYSA-N 1 0 327.428 2.994 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNc3nccc(C)n3)cc2F)CC1 ZINC000265586778 474261286 /nfs/dbraw/zinc/26/12/86/474261286.db2.gz XOSQVJIRTDCBQQ-UHFFFAOYSA-N 1 0 329.423 2.678 20 10 EFCDRO CCCOc1ccc(C[NH2+]Cc2ccc(OC)nc2OC)c(O)c1 ZINC000289433141 474268457 /nfs/dbraw/zinc/26/84/57/474268457.db2.gz AAFKXOFWACNWHX-UHFFFAOYSA-N 1 0 332.400 2.883 20 10 EFCDRO COc1cc(O)c(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)cc1OC ZINC000282999540 474268744 /nfs/dbraw/zinc/26/87/44/474268744.db2.gz KQJXKTBBFOUWOX-QGZVFWFLSA-N 1 0 331.412 2.849 20 10 EFCDRO COC(=O)[C@H](C)Oc1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000289443145 474273247 /nfs/dbraw/zinc/27/32/47/474273247.db2.gz MCKZGXVBXHUGAR-ZDUSSCGKSA-N 1 0 345.395 2.631 20 10 EFCDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cc(C)c(C)cc2O)cc1O ZINC000289449845 474276789 /nfs/dbraw/zinc/27/67/89/474276789.db2.gz NAJWPAWJYWURFF-INIZCTEOSA-N 1 0 345.439 2.664 20 10 EFCDRO CCCOc1ccc(C[N@H+](CCCO)Cc2ccccn2)c(O)c1 ZINC000289466262 474284063 /nfs/dbraw/zinc/28/40/63/474284063.db2.gz OZDFLYILLSXGNG-UHFFFAOYSA-N 1 0 330.428 2.961 20 10 EFCDRO Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(O)c1O ZINC000182911649 474285101 /nfs/dbraw/zinc/28/51/01/474285101.db2.gz IGSSNMRWMGROFV-ZIAGYGMSSA-N 1 0 332.444 2.789 20 10 EFCDRO COc1c(O)c(C[N@@H+]2CCC=C(c3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000289529533 474310126 /nfs/dbraw/zinc/31/01/26/474310126.db2.gz HNTABRRLJBDKQM-UHFFFAOYSA-N 1 0 341.367 2.993 20 10 EFCDRO COc1cc(O)c(CN(CCC[NH3+])c2cccc(F)c2)cc1OC ZINC000183221642 474353369 /nfs/dbraw/zinc/35/33/69/474353369.db2.gz TXMWVADJZRRKHI-UHFFFAOYSA-N 1 0 334.391 2.904 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000289640884 474357962 /nfs/dbraw/zinc/35/79/62/474357962.db2.gz MHUROPOSTGUXMH-JSGCOSHPSA-N 1 0 333.350 2.784 20 10 EFCDRO CC[C@@H]([NH2+]Cc1cc(Br)ccc1O)[C@@H](O)C(F)(F)F ZINC000270998347 474360267 /nfs/dbraw/zinc/36/02/67/474360267.db2.gz PPFOIBRGDHVGTC-MWLCHTKSSA-N 1 0 342.155 2.946 20 10 EFCDRO Cc1cc(C(=O)NCC[N@@H+]2CCCOCC2)c(C)n1-c1ccccc1 ZINC000189353816 474369837 /nfs/dbraw/zinc/36/98/37/474369837.db2.gz UYMVVYYRXDROJG-UHFFFAOYSA-N 1 0 341.455 2.546 20 10 EFCDRO CC(C)[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)[NH+]1CCCCC1 ZINC000183448461 474380438 /nfs/dbraw/zinc/38/04/38/474380438.db2.gz CPQDZGASXLLJQT-KBXCAEBGSA-N 1 0 334.460 2.656 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000265903774 474380666 /nfs/dbraw/zinc/38/06/66/474380666.db2.gz VWAZTYJKSQDNKW-SJLPKXTDSA-N 1 0 338.517 2.978 20 10 EFCDRO Cc1cc(C(=O)NCC2([NH+](C)C)CCC2)c(C)n1-c1ccccn1 ZINC000275989723 474381793 /nfs/dbraw/zinc/38/17/93/474381793.db2.gz NKLSJXQKSIJTQI-UHFFFAOYSA-N 1 0 326.444 2.703 20 10 EFCDRO C[C@H]([NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000183492379 474386006 /nfs/dbraw/zinc/38/60/06/474386006.db2.gz WKQBAEUMSNVBFK-HNNXBMFYSA-N 1 0 349.475 2.596 20 10 EFCDRO COc1cc(O)c(CN2CCO[C@H](c3ccccc3)C2)cc1OC ZINC000271110746 474401081 /nfs/dbraw/zinc/40/10/81/474401081.db2.gz UCKORMHTFDFBGV-IBGZPJMESA-N 1 0 329.396 2.983 20 10 EFCDRO COC(=O)c1cc(C[N@H+](C)Cc2cc(OC)c(OC)cc2O)oc1C ZINC000271116674 474403272 /nfs/dbraw/zinc/40/32/72/474403272.db2.gz WKHUNRMKGRQKSP-UHFFFAOYSA-N 1 0 349.383 2.729 20 10 EFCDRO COc1cc(N2CC[NH+]([C@H]3C=CCCC3)CC2)cc(OC)c1OC ZINC000183700250 474415965 /nfs/dbraw/zinc/41/59/65/474415965.db2.gz WYTRAPIGVPCDHL-HNNXBMFYSA-N 1 0 332.444 2.943 20 10 EFCDRO C[C@](O)(C[NH2+]Cc1cc(Br)ccc1O)c1ccco1 ZINC000266157112 474421110 /nfs/dbraw/zinc/42/11/10/474421110.db2.gz MJOQOXRLJHVRQX-AWEZNQCLSA-N 1 0 326.190 2.745 20 10 EFCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C12CCC2 ZINC000266168179 474421850 /nfs/dbraw/zinc/42/18/50/474421850.db2.gz QEQARAUQJHQLIU-OALUTQOASA-N 1 0 330.472 2.961 20 10 EFCDRO C[C@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)[C@H]1CCC[NH2+]C1 ZINC000237539414 474424813 /nfs/dbraw/zinc/42/48/13/474424813.db2.gz DSXZWZWIVBPORV-CABCVRRESA-N 1 0 331.460 2.504 20 10 EFCDRO CC(C)OC1CC([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000189524745 474432355 /nfs/dbraw/zinc/43/23/55/474432355.db2.gz RHBARUVEEOTDAJ-UHFFFAOYSA-N 1 0 336.451 2.832 20 10 EFCDRO CCOc1ccc(O)c(C[NH+]2CCN(c3ncc(C)s3)CC2)c1 ZINC000271195607 474434276 /nfs/dbraw/zinc/43/42/76/474434276.db2.gz NRTXZYYAYPYNAN-UHFFFAOYSA-N 1 0 333.457 2.878 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1F ZINC000289821475 474442415 /nfs/dbraw/zinc/44/24/15/474442415.db2.gz TYBCTVFKURGZKW-CHWSQXEVSA-N 1 0 334.357 2.884 20 10 EFCDRO O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000266687044 474447720 /nfs/dbraw/zinc/44/77/20/474447720.db2.gz DTDNWVWSYTWZIC-QZTJIDSGSA-N 1 0 343.471 2.697 20 10 EFCDRO O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000266687035 474448025 /nfs/dbraw/zinc/44/80/25/474448025.db2.gz DTDNWVWSYTWZIC-MSOLQXFVSA-N 1 0 343.471 2.697 20 10 EFCDRO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000271276122 474471321 /nfs/dbraw/zinc/47/13/21/474471321.db2.gz KYSTYXVQLNKAMJ-LRDDRELGSA-N 1 0 335.835 2.725 20 10 EFCDRO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000271276119 474471452 /nfs/dbraw/zinc/47/14/52/474471452.db2.gz KYSTYXVQLNKAMJ-BLLLJJGKSA-N 1 0 335.835 2.725 20 10 EFCDRO CCOc1ccc(O)c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000289944868 474497295 /nfs/dbraw/zinc/49/72/95/474497295.db2.gz XIUKMEUZGWOTPT-UHFFFAOYSA-N 1 0 331.372 2.664 20 10 EFCDRO COc1c(O)c(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)ccc1[N+](=O)[O-] ZINC000289985830 474515299 /nfs/dbraw/zinc/51/52/99/474515299.db2.gz BWOYUSNPQQYFGB-BMIGLBTASA-N 1 0 330.340 2.921 20 10 EFCDRO CCCOc1ccc(C[NH+]2CCC(Cn3cncn3)CC2)c(O)c1 ZINC000189970031 474521502 /nfs/dbraw/zinc/52/15/02/474521502.db2.gz MNOZWCVIELMXNF-UHFFFAOYSA-N 1 0 330.432 2.685 20 10 EFCDRO COC(=O)C[C@@](C)([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccncc1 ZINC000276469017 474556256 /nfs/dbraw/zinc/55/62/56/474556256.db2.gz MKLRIJLBQRVBMM-LJQANCHMSA-N 1 0 345.418 2.855 20 10 EFCDRO C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000290145407 474559330 /nfs/dbraw/zinc/55/93/30/474559330.db2.gz KZUGMBORJLOQKG-KSSFIOAISA-N 1 0 336.451 2.864 20 10 EFCDRO CC(C)S(=O)(=O)CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000290353200 474567989 /nfs/dbraw/zinc/56/79/89/474567989.db2.gz QFHSQOZGEPSTAP-ZDUSSCGKSA-N 1 0 325.474 2.745 20 10 EFCDRO CN(C)c1ccc(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)cc1F ZINC000276705365 474569040 /nfs/dbraw/zinc/56/90/40/474569040.db2.gz WDFXPVRFYJPYFB-UHFFFAOYSA-N 1 0 341.430 2.510 20 10 EFCDRO COc1c(O)c(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)ccc1[N+](=O)[O-] ZINC000290377338 474569321 /nfs/dbraw/zinc/56/93/21/474569321.db2.gz HWSDZFVQSHOMIS-CYBMUJFWSA-N 1 0 346.387 2.986 20 10 EFCDRO COc1c(O)c(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)ccc1[N+](=O)[O-] ZINC000290377341 474570114 /nfs/dbraw/zinc/57/01/14/474570114.db2.gz HWSDZFVQSHOMIS-ZDUSSCGKSA-N 1 0 346.387 2.986 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000276713374 474570129 /nfs/dbraw/zinc/57/01/29/474570129.db2.gz GYFXILBFJKTCPS-QGZVFWFLSA-N 1 0 332.444 2.814 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNc3nccnc3C)cc2F)CC1 ZINC000290544235 474577522 /nfs/dbraw/zinc/57/75/22/474577522.db2.gz ISRDMYGFMLHEMS-UHFFFAOYSA-N 1 0 329.423 2.678 20 10 EFCDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccccc1O ZINC000277235782 474580323 /nfs/dbraw/zinc/58/03/23/474580323.db2.gz NTMRIJZNLURUAN-CYBMUJFWSA-N 1 0 340.489 2.636 20 10 EFCDRO CCc1nnc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)[nH]1 ZINC000271532835 474581129 /nfs/dbraw/zinc/58/11/29/474581129.db2.gz PVPGXSLSQZCJKG-UONOGXRCSA-N 1 0 329.448 2.616 20 10 EFCDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000290635303 474581557 /nfs/dbraw/zinc/58/15/57/474581557.db2.gz HLYYFVVYIIKQII-MRXNPFEDSA-N 1 0 332.492 2.815 20 10 EFCDRO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1O ZINC000271649447 474583261 /nfs/dbraw/zinc/58/32/61/474583261.db2.gz IRVJINZAUBTCEB-FUHWJXTLSA-N 1 0 326.440 2.944 20 10 EFCDRO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000277479951 474587384 /nfs/dbraw/zinc/58/73/84/474587384.db2.gz BLMRPLDYHCFZSI-HNNXBMFYSA-N 1 0 333.453 2.945 20 10 EFCDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccccc1O ZINC000271729420 474587951 /nfs/dbraw/zinc/58/79/51/474587951.db2.gz SBWBHIQJPLQRPW-CJNGLKHVSA-N 1 0 345.395 2.602 20 10 EFCDRO CCOc1cccc(C[NH2+]CCOCC(F)(F)C(F)F)c1O ZINC000277515707 474589242 /nfs/dbraw/zinc/58/92/42/474589242.db2.gz RROIRAJOQLSQKN-UHFFFAOYSA-N 1 0 325.302 2.798 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1O ZINC000184703514 474589858 /nfs/dbraw/zinc/58/98/58/474589858.db2.gz VBNHXUAXDMRNCX-GFCCVEGCSA-N 1 0 336.823 2.558 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]C[C@]2(O)CCc3ccccc32)c1O ZINC000184710293 474592141 /nfs/dbraw/zinc/59/21/41/474592141.db2.gz SUXSNOCDSWBBLQ-GOSISDBHSA-N 1 0 333.815 2.978 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000291132296 474595123 /nfs/dbraw/zinc/59/51/23/474595123.db2.gz FALJGGUYBRQCNZ-OLZOCXBDSA-N 1 0 344.386 2.996 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCn2cc(Br)cn2)c1 ZINC000271823784 474595359 /nfs/dbraw/zinc/59/53/59/474595359.db2.gz OCNOULYIMNQFHI-SNVBAGLBSA-N 1 0 340.221 2.711 20 10 EFCDRO CC[N@H+](CCc1ccnn1C)Cc1cc(Br)ccc1O ZINC000284211236 474596038 /nfs/dbraw/zinc/59/60/38/474596038.db2.gz AJINFEFSCOWEER-UHFFFAOYSA-N 1 0 338.249 2.953 20 10 EFCDRO CC[C@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1ccccc1O ZINC000291157833 474595770 /nfs/dbraw/zinc/59/57/70/474595770.db2.gz IAMPUQSUAPHQNG-SFHVURJKSA-N 1 0 339.439 2.887 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@H]3Cc4ccccc4[C@H]3O)CC2)cc1F ZINC000271881797 474596659 /nfs/dbraw/zinc/59/66/59/474596659.db2.gz CEJCZSDIQCTTMZ-AZUAARDMSA-N 1 0 342.414 2.615 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2cc(OC)ccc2OC)c1 ZINC000271852234 474596694 /nfs/dbraw/zinc/59/66/94/474596694.db2.gz RLKHBOHGJDJOEB-KPZWWZAWSA-N 1 0 347.411 2.802 20 10 EFCDRO CCCOc1ccc(C[NH+]2CCN(c3ccnc(C)n3)CC2)c(O)c1 ZINC000184762517 474602554 /nfs/dbraw/zinc/60/25/54/474602554.db2.gz WMFBTBPIRABLKG-UHFFFAOYSA-N 1 0 342.443 2.602 20 10 EFCDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000272095028 474602559 /nfs/dbraw/zinc/60/25/59/474602559.db2.gz FEJUZQGJLKROKS-OAHLLOKOSA-N 1 0 332.492 2.624 20 10 EFCDRO COc1c(O)c(CN(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000278202711 474603678 /nfs/dbraw/zinc/60/36/78/474603678.db2.gz JIWJMPPAMCSUEL-AWEZNQCLSA-N 1 0 337.420 2.615 20 10 EFCDRO COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000278341104 474615272 /nfs/dbraw/zinc/61/52/72/474615272.db2.gz XLHHFHZDSKJOFW-CQSZACIVSA-N 1 0 344.411 2.754 20 10 EFCDRO COCCSCCC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000278344004 474615675 /nfs/dbraw/zinc/61/56/75/474615675.db2.gz FZBPFJXDMLCWQC-UHFFFAOYSA-N 1 0 342.480 2.726 20 10 EFCDRO COc1cccc(C[NH+]2CCC(Oc3ncccc3F)CC2)c1O ZINC000278369309 474624718 /nfs/dbraw/zinc/62/47/18/474624718.db2.gz ZIGKRIVYRPTAHY-UHFFFAOYSA-N 1 0 332.375 2.978 20 10 EFCDRO COc1cc(O)c(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)cc1OC ZINC000291592396 474626652 /nfs/dbraw/zinc/62/66/52/474626652.db2.gz PZFAKWMNVMQUOZ-OXQOHEQNSA-N 1 0 343.423 2.665 20 10 EFCDRO COc1ccc(O)c(C[NH2+]Cc2cc(C)nc(N3CCCC3)c2)c1 ZINC000291680674 474647771 /nfs/dbraw/zinc/64/77/71/474647771.db2.gz XFUOVJISNBAIAF-UHFFFAOYSA-N 1 0 327.428 2.994 20 10 EFCDRO CCc1noc(CC)c1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278493289 474659703 /nfs/dbraw/zinc/65/97/03/474659703.db2.gz LXHCBEMIIAGUDI-UHFFFAOYSA-N 1 0 335.360 2.712 20 10 EFCDRO C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000278506293 474667338 /nfs/dbraw/zinc/66/73/38/474667338.db2.gz RAUWBXFZGBCUQB-OAHLLOKOSA-N 1 0 330.472 2.786 20 10 EFCDRO COc1cccc(C[NH2+]Cc2cccc(N3CCOCC3)c2)c1O ZINC000292959583 474735344 /nfs/dbraw/zinc/73/53/44/474735344.db2.gz LGKUJOKSEGSYCO-UHFFFAOYSA-N 1 0 328.412 2.527 20 10 EFCDRO OCC[C@]1([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCOC1 ZINC000278637722 474750208 /nfs/dbraw/zinc/75/02/08/474750208.db2.gz IRZAXVZKLSZQKO-FQEVSTJZSA-N 1 0 343.423 2.602 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1 ZINC000278721021 474795235 /nfs/dbraw/zinc/79/52/35/474795235.db2.gz QLXBVEFGEYNVBO-OAHLLOKOSA-N 1 0 332.375 2.978 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)Cc2ccccc2)c1 ZINC000273302345 474831605 /nfs/dbraw/zinc/83/16/05/474831605.db2.gz BSCUJJYLKIOKEW-AWEZNQCLSA-N 1 0 349.452 2.666 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cc(F)ccc1O ZINC000273299151 474832030 /nfs/dbraw/zinc/83/20/30/474832030.db2.gz AUPCMAPMAHVMHW-CYBMUJFWSA-N 1 0 331.391 2.614 20 10 EFCDRO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000284980201 474850521 /nfs/dbraw/zinc/85/05/21/474850521.db2.gz IODNJCLRBMEDAX-GOSISDBHSA-N 1 0 330.428 2.802 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000273364678 474861585 /nfs/dbraw/zinc/86/15/85/474861585.db2.gz DQEZZTUQYPENBK-CYBMUJFWSA-N 1 0 334.441 2.923 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1OC ZINC000285021525 474865842 /nfs/dbraw/zinc/86/58/42/474865842.db2.gz HPLIKCAOCSGRHG-UHFFFAOYSA-N 1 0 346.383 2.992 20 10 EFCDRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273398430 474878083 /nfs/dbraw/zinc/87/80/83/474878083.db2.gz MOWJVIHLTYUJQA-INIZCTEOSA-N 1 0 347.503 2.650 20 10 EFCDRO Cc1cc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000268238818 474880225 /nfs/dbraw/zinc/88/02/25/474880225.db2.gz OKPOERWMBFJJGH-SCLBCKFNSA-N 1 0 338.455 2.702 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)nc(N3CCCC3)n2)c1 ZINC000293335906 474933580 /nfs/dbraw/zinc/93/35/80/474933580.db2.gz GGEIJRJBGCDSQV-AWEZNQCLSA-N 1 0 342.443 2.950 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1OC ZINC000285237473 474940711 /nfs/dbraw/zinc/94/07/11/474940711.db2.gz VWRRHWKWWUPMIB-HNNXBMFYSA-N 1 0 349.349 2.689 20 10 EFCDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000285266955 474950599 /nfs/dbraw/zinc/95/05/99/474950599.db2.gz YILPVDFBBRBPBO-WBVHZDCISA-N 1 0 326.440 2.840 20 10 EFCDRO COC[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)[C@@H]1CCCO1 ZINC000279122481 474961241 /nfs/dbraw/zinc/96/12/41/474961241.db2.gz UYEHLDMXSGULNY-GJZGRUSLSA-N 1 0 327.808 2.532 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](OCC)[C@@]23CCCO3)c(O)c1 ZINC000273568894 474967491 /nfs/dbraw/zinc/96/74/91/474967491.db2.gz GGOXRMOOSSBRCE-GUDVDZBRSA-N 1 0 335.444 2.997 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@H](OCC)[C@]23CCCO3)c(O)c1 ZINC000273568897 474969557 /nfs/dbraw/zinc/96/95/57/474969557.db2.gz GGOXRMOOSSBRCE-QYZOEREBSA-N 1 0 335.444 2.997 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(O)c1O ZINC000279425100 474974848 /nfs/dbraw/zinc/97/48/48/474974848.db2.gz YQYMDIZTGFTUNE-RHSMWYFYSA-N 1 0 340.423 2.738 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c(O)c1C ZINC000273604020 474986864 /nfs/dbraw/zinc/98/68/64/474986864.db2.gz SOEZMHSRAWLFMH-SJLPKXTDSA-N 1 0 347.503 2.602 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1nncn1C ZINC000273614682 474990714 /nfs/dbraw/zinc/99/07/14/474990714.db2.gz WZWRDVAEBKIUOB-DTWKUNHWSA-N 1 0 325.210 2.695 20 10 EFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCSC(C)(C)CC2)cc1 ZINC000279781543 474992016 /nfs/dbraw/zinc/99/20/16/474992016.db2.gz UMQNLUVUKOYELV-UHFFFAOYSA-N 1 0 335.517 2.586 20 10 EFCDRO CC(C)C(=O)NCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279801772 474993351 /nfs/dbraw/zinc/99/33/51/474993351.db2.gz DTLAWUGKQNXFEB-UHFFFAOYSA-N 1 0 331.382 2.633 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCCNC2=O)c(C(F)(F)F)c1 ZINC000279840971 474996060 /nfs/dbraw/zinc/99/60/60/474996060.db2.gz HQCGUVHNXHZSFP-AWEZNQCLSA-N 1 0 329.366 2.530 20 10 EFCDRO CCCCOC[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000279982557 475003001 /nfs/dbraw/zinc/00/30/01/475003001.db2.gz JVBUBPOYGXHWGX-ZWKOTPCHSA-N 1 0 337.460 2.551 20 10 EFCDRO CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCCOC)c1ccc(C)cc1O ZINC000280093892 475009610 /nfs/dbraw/zinc/00/96/10/475009610.db2.gz MQPCFQHLAWWRSN-SJORKVTESA-N 1 0 336.476 2.919 20 10 EFCDRO CCCN(CCC)c1ccc(C[NH2+]CC(=O)NCC(F)F)cc1 ZINC000280288984 475018858 /nfs/dbraw/zinc/01/88/58/475018858.db2.gz MLVDNUBIUJDVMG-UHFFFAOYSA-N 1 0 327.419 2.784 20 10 EFCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H](CC(N)=O)c2ccccc2)c1O ZINC000280329986 475020484 /nfs/dbraw/zinc/02/04/84/475020484.db2.gz HPHHCDXIDOAXGS-KRWDZBQOSA-N 1 0 344.386 2.782 20 10 EFCDRO Cc1cc(C[NH2+][C@H](C(N)=O)[C@@H](C)c2ccccc2)ccc1N(C)C ZINC000293529515 475024680 /nfs/dbraw/zinc/02/46/80/475024680.db2.gz JGWIWWFDTDZPPM-KXBFYZLASA-N 1 0 325.456 2.808 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+]CCn2cc(Br)cn2)c1 ZINC000285546793 475029459 /nfs/dbraw/zinc/02/94/59/475029459.db2.gz RBYFOBKVSZJRRP-UHFFFAOYSA-N 1 0 340.221 2.540 20 10 EFCDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000285592283 475032143 /nfs/dbraw/zinc/03/21/43/475032143.db2.gz ITHOYVSFUQZKSI-YJBOKZPZSA-N 1 0 330.476 2.521 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000285633775 475033153 /nfs/dbraw/zinc/03/31/53/475033153.db2.gz KNPGCKVFAFKNEG-GIOYIUAESA-N 1 0 329.488 2.865 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1O ZINC000273734743 475034197 /nfs/dbraw/zinc/03/41/97/475034197.db2.gz KZNRVPAEQUEVRK-GWCFXTLKSA-N 1 0 339.741 2.942 20 10 EFCDRO CC1CC[NH+](CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000268652013 475038074 /nfs/dbraw/zinc/03/80/74/475038074.db2.gz RQUYWULMUOAKEJ-SFHVURJKSA-N 1 0 346.471 2.632 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000285718273 475038799 /nfs/dbraw/zinc/03/87/99/475038799.db2.gz PXTPBRZVOANWHU-CZUORRHYSA-N 1 0 345.409 2.666 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000285738036 475039707 /nfs/dbraw/zinc/03/97/07/475039707.db2.gz HHIVGSXQYXSMDR-FXAWDEMLSA-N 1 0 327.472 2.683 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC000285773395 475041157 /nfs/dbraw/zinc/04/11/57/475041157.db2.gz UDQNCPRWAXXWNA-SWLSCSKDSA-N 1 0 332.366 2.614 20 10 EFCDRO COCc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)o1 ZINC000268783856 475042200 /nfs/dbraw/zinc/04/22/00/475042200.db2.gz JMEQWJMDSQIJLJ-UHFFFAOYSA-N 1 0 348.418 2.816 20 10 EFCDRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268834025 475045207 /nfs/dbraw/zinc/04/52/07/475045207.db2.gz LEPAYBDBLBRCQE-ZRGWGRIASA-N 1 0 349.494 2.605 20 10 EFCDRO Cc1nccn1CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268833394 475046999 /nfs/dbraw/zinc/04/69/99/475046999.db2.gz FZZCLIBURKZVGH-HNNXBMFYSA-N 1 0 346.450 2.908 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)cc1OC ZINC000293708905 475048137 /nfs/dbraw/zinc/04/81/37/475048137.db2.gz SGCSQLJUUXQCRX-GOSISDBHSA-N 1 0 346.427 2.654 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000280804166 475050749 /nfs/dbraw/zinc/05/07/49/475050749.db2.gz IREYUQVGCQSNQT-AXFHLTTASA-N 1 0 334.243 2.995 20 10 EFCDRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000286236743 475057698 /nfs/dbraw/zinc/05/76/98/475057698.db2.gz RRJOKLADYIYJPT-SJORKVTESA-N 1 0 335.517 2.633 20 10 EFCDRO COC(=O)C[C@@H]1CSCCN1Cc1cc(Cl)cc(OC)c1O ZINC000273807398 475060957 /nfs/dbraw/zinc/06/09/57/475060957.db2.gz YDAOMAUALXTNGV-GFCCVEGCSA-N 1 0 345.848 2.535 20 10 EFCDRO COc1cc([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1OC ZINC000286457484 475066467 /nfs/dbraw/zinc/06/64/67/475066467.db2.gz UQVQZILQUJCSSJ-OLZOCXBDSA-N 1 0 335.404 2.675 20 10 EFCDRO C[C@@H]([NH2+]CC(C)(C)OCCO)c1cc(Br)ccc1O ZINC000287242611 475100313 /nfs/dbraw/zinc/10/03/13/475100313.db2.gz HITSLYPJLCHVJT-SNVBAGLBSA-N 1 0 332.238 2.593 20 10 EFCDRO COc1ccc(O)c(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1 ZINC000294828371 475084399 /nfs/dbraw/zinc/08/43/99/475084399.db2.gz PTBNUYPMUNJCFQ-UHFFFAOYSA-N 1 0 326.396 2.664 20 10 EFCDRO COC1CCN(c2ccc(C[N@H+](C)[C@H](C)C[S@](C)=O)cc2)CC1 ZINC000294868156 475088581 /nfs/dbraw/zinc/08/85/81/475088581.db2.gz AUXRXOFPKSAODY-CMJOXMDJSA-N 1 0 338.517 2.501 20 10 EFCDRO COc1cc([N+](=O)[O-])c(N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1OC ZINC000294957938 475094019 /nfs/dbraw/zinc/09/40/19/475094019.db2.gz NBZFRZXFYFQPQD-LBPRGKRZSA-N 1 0 335.404 2.533 20 10 EFCDRO COC1CCN(c2ccc(C[N@H+](C)C[C@H]3CCC[C@H]3O)cc2)CC1 ZINC000295028531 475098906 /nfs/dbraw/zinc/09/89/06/475098906.db2.gz VJSRWTWGHQJJCC-YLJYHZDGSA-N 1 0 332.488 2.895 20 10 EFCDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(Br)ccc1O)C(C)C ZINC000295106048 475104110 /nfs/dbraw/zinc/10/41/10/475104110.db2.gz UHTWHJOHJRLFDP-AWEZNQCLSA-N 1 0 343.265 2.747 20 10 EFCDRO Cc1cc(O)c(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1C ZINC000295094245 475104274 /nfs/dbraw/zinc/10/42/74/475104274.db2.gz JQDPQHHSGBQLKF-UHFFFAOYSA-N 1 0 325.474 2.702 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000295125043 475105779 /nfs/dbraw/zinc/10/57/79/475105779.db2.gz NWBIHPQLIZORNC-ZYIUAKIQSA-N 1 0 348.443 2.917 20 10 EFCDRO C[C@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)C[N@@H+]1Cc1ccccc1 ZINC000295164201 475110122 /nfs/dbraw/zinc/11/01/22/475110122.db2.gz QWKIQPUWHNRRSW-GXTWGEPZSA-N 1 0 344.386 2.630 20 10 EFCDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000287357328 475110837 /nfs/dbraw/zinc/11/08/37/475110837.db2.gz XYYXHHRBTOZQLQ-GOEBONIOSA-N 1 0 348.466 2.660 20 10 EFCDRO CC(=O)c1cc(F)cc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)c1O ZINC000295194438 475111336 /nfs/dbraw/zinc/11/13/36/475111336.db2.gz UGLBQCHDIQFKOR-UHFFFAOYSA-N 1 0 336.407 2.615 20 10 EFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](CO)C[C@@H]3C)cc2)CC1 ZINC000295213747 475112675 /nfs/dbraw/zinc/11/26/75/475112675.db2.gz PTTVQGIUFPRYCB-WMZOPIPTSA-N 1 0 332.488 2.895 20 10 EFCDRO C[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000295695594 475131850 /nfs/dbraw/zinc/13/18/50/475131850.db2.gz PCJMFGUBOJYYAI-VXGBXAGGSA-N 1 0 336.407 2.620 20 10 EFCDRO CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287572432 475200403 /nfs/dbraw/zinc/20/04/03/475200403.db2.gz GWQUXZRHCNYWNB-RHSMWYFYSA-N 1 0 339.911 2.970 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000348634982 475790154 /nfs/dbraw/zinc/79/01/54/475790154.db2.gz KNCJGQXFWVDABY-AWEZNQCLSA-N 1 0 331.485 2.540 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000349702866 475988302 /nfs/dbraw/zinc/98/83/02/475988302.db2.gz NMTZYTDETNGJFO-DZGCQCFKSA-N 1 0 340.471 2.911 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000350090967 476044174 /nfs/dbraw/zinc/04/41/74/476044174.db2.gz IAGLCRKQPZMOHO-UHFFFAOYSA-N 1 0 340.471 2.866 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC[N@H+](C)C(C)C)ccc21 ZINC000343776347 476111947 /nfs/dbraw/zinc/11/19/47/476111947.db2.gz GUJOCFKDIMUZIE-UHFFFAOYSA-N 1 0 345.487 2.975 20 10 EFCDRO CCOc1cccc(C[NH2+]Cc2ccccc2Cn2cncn2)c1O ZINC000299592652 476146052 /nfs/dbraw/zinc/14/60/52/476146052.db2.gz PIMPISIAYUFKDU-UHFFFAOYSA-N 1 0 338.411 2.721 20 10 EFCDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000368973034 476381398 /nfs/dbraw/zinc/38/13/98/476381398.db2.gz IJONNXROCSMBMM-UHOSZYNNSA-N 1 0 327.472 2.763 20 10 EFCDRO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000368973035 476381595 /nfs/dbraw/zinc/38/15/95/476381595.db2.gz IJONNXROCSMBMM-WDSOQIARSA-N 1 0 327.472 2.763 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1 ZINC000373166911 476382027 /nfs/dbraw/zinc/38/20/27/476382027.db2.gz OZSBGGDHQKYWIO-MOPGFXCFSA-N 1 0 328.460 2.574 20 10 EFCDRO Cc1cc(Br)cc(C[NH+]2CC([C@H]3CCOC3)C2)c1O ZINC000373466698 476404424 /nfs/dbraw/zinc/40/44/24/476404424.db2.gz PEJBUPPZSCXUPU-NSHDSACASA-N 1 0 326.234 2.931 20 10 EFCDRO COc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c(O)c1 ZINC000373696935 476421307 /nfs/dbraw/zinc/42/13/07/476421307.db2.gz PSBYHGGOXGCPQG-OAHLLOKOSA-N 1 0 332.444 2.672 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000374007868 476447293 /nfs/dbraw/zinc/44/72/93/476447293.db2.gz LKGHYYRJVVQGMI-KRWDZBQOSA-N 1 0 341.455 2.794 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@]2(CO)CCOc3ccccc32)cc1F ZINC000374150302 476456644 /nfs/dbraw/zinc/45/66/44/476456644.db2.gz XJSYRPGTHBOLLV-IBGZPJMESA-N 1 0 330.403 2.652 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1F ZINC000374254316 476463818 /nfs/dbraw/zinc/46/38/18/476463818.db2.gz DHWSADLJDOBALB-VQIMIIECSA-N 1 0 346.450 2.713 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)cc1 ZINC000374246792 476463960 /nfs/dbraw/zinc/46/39/60/476463960.db2.gz ASQCGKMQFSPZSW-KRWDZBQOSA-N 1 0 327.476 2.635 20 10 EFCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(N(C)C)cc1 ZINC000374574042 476489222 /nfs/dbraw/zinc/48/92/22/476489222.db2.gz FIPQUGLRFBOKEB-VQIMIIECSA-N 1 0 327.476 2.806 20 10 EFCDRO CCCC[N@H+](Cc1ccccc1O)[C@H]1CCN(C2CCOCC2)C1=O ZINC000374618830 476491943 /nfs/dbraw/zinc/49/19/43/476491943.db2.gz MPUMOUVGXBBGAK-SFHVURJKSA-N 1 0 346.471 2.774 20 10 EFCDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000377690315 476522298 /nfs/dbraw/zinc/52/22/98/476522298.db2.gz FZQFDCJVAJBLOL-FXAWDEMLSA-N 1 0 329.488 2.582 20 10 EFCDRO O=C1C[C@H]([NH2+]Cc2cc(F)ccc2O)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000374899391 476580529 /nfs/dbraw/zinc/58/05/29/476580529.db2.gz RVLOBCXQMYBRJR-OKZBNKHCSA-N 1 0 340.398 2.778 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000377851144 476612719 /nfs/dbraw/zinc/61/27/19/476612719.db2.gz IQRSSXRGCZQEEX-HXUWFJFHSA-N 1 0 345.414 2.967 20 10 EFCDRO NC(=O)C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000377852990 476614124 /nfs/dbraw/zinc/61/41/24/476614124.db2.gz WBGVSXXVLBZLRW-MRXNPFEDSA-N 1 0 340.423 2.669 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC[N@H+]1CC=CCC1 ZINC000354408942 476643576 /nfs/dbraw/zinc/64/35/76/476643576.db2.gz NVMXIRUAFVAILB-UHFFFAOYSA-N 1 0 326.444 2.548 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000378183492 476686031 /nfs/dbraw/zinc/68/60/31/476686031.db2.gz NWXQJGMEZGKNGI-CJNGLKHVSA-N 1 0 344.434 2.594 20 10 EFCDRO CC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@H](O)C(F)(F)F ZINC000378405917 476705766 /nfs/dbraw/zinc/70/57/66/476705766.db2.gz SOKSORNVDYOBLP-CVEARBPZSA-N 1 0 346.393 2.955 20 10 EFCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c1O ZINC000378451759 476710257 /nfs/dbraw/zinc/71/02/57/476710257.db2.gz FRGPUZLANUFZMF-ZDUSSCGKSA-N 1 0 336.233 2.833 20 10 EFCDRO C[NH+](C)C[C@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2ccccc2O1 ZINC000370503543 476842583 /nfs/dbraw/zinc/84/25/83/476842583.db2.gz UVFYPKJRISRAFY-WAVCKPEOSA-N 1 0 341.386 2.590 20 10 EFCDRO COc1c(O)c(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000370528729 476856542 /nfs/dbraw/zinc/85/65/42/476856542.db2.gz PSYPPUWXHDVFDA-HNNXBMFYSA-N 1 0 344.367 2.962 20 10 EFCDRO COc1cccc(C[N@@H+]2CCCN(c3ncccc3F)CC2)c1O ZINC000375525062 476880383 /nfs/dbraw/zinc/88/03/83/476880383.db2.gz JNMKDFJMCRNJCE-UHFFFAOYSA-N 1 0 331.391 2.647 20 10 EFCDRO [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000370636591 476906946 /nfs/dbraw/zinc/90/69/46/476906946.db2.gz UEVSQGIIBHIUIU-UHFFFAOYSA-N 1 0 329.799 2.956 20 10 EFCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000423090476 476924547 /nfs/dbraw/zinc/92/45/47/476924547.db2.gz XRUGXYUMEBCSPE-KZNAEPCWSA-N 1 0 327.472 2.733 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000370773178 476978487 /nfs/dbraw/zinc/97/84/87/476978487.db2.gz MZPQRPPFRRYJKE-OXJNMPFZSA-N 1 0 337.467 2.838 20 10 EFCDRO COc1ccc(N2CCC[N@H+](Cc3ccc(OC)cn3)CC2)cc1 ZINC000371429567 477314214 /nfs/dbraw/zinc/31/42/14/477314214.db2.gz FFTZZTWQVROVCA-UHFFFAOYSA-N 1 0 327.428 2.811 20 10 EFCDRO C[NH2+]C[C@@H]1CCCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000418102488 477465447 /nfs/dbraw/zinc/46/54/47/477465447.db2.gz UOVJZJNXVAEVHR-HNNXBMFYSA-N 1 0 328.460 2.628 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418103317 477465510 /nfs/dbraw/zinc/46/55/10/477465510.db2.gz VZDOIOAVRYEGCA-IYBDPMFKSA-N 1 0 340.471 2.628 20 10 EFCDRO C[NH2+]CC1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000418104287 477465756 /nfs/dbraw/zinc/46/57/56/477465756.db2.gz XMJIEYBXDRYBTJ-UHFFFAOYSA-N 1 0 328.460 2.628 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418094691 477466171 /nfs/dbraw/zinc/46/61/71/477466171.db2.gz FJKSMDYBHHHAAO-YIONKMFJSA-N 1 0 326.444 2.569 20 10 EFCDRO C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[NH+]1[C@H](C)CC[C@H]1C ZINC000413536644 477718943 /nfs/dbraw/zinc/71/89/43/477718943.db2.gz VXWOPQNKSSCNJS-KFWWJZLASA-N 1 0 331.460 2.739 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000372437292 477797027 /nfs/dbraw/zinc/79/70/27/477797027.db2.gz MDWUFHLALGRGHC-QUCCMNQESA-N 1 0 327.472 2.635 20 10 EFCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](c3ccnn3C)C2)c1O ZINC000372679345 477809312 /nfs/dbraw/zinc/80/93/12/477809312.db2.gz BSQMKDRSRSBPNN-ZDUSSCGKSA-N 1 0 331.391 2.847 20 10 EFCDRO COC[C@@H](O)CC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000368515345 477811528 /nfs/dbraw/zinc/81/15/28/477811528.db2.gz UPOYVYPPBHCHBB-FQEVSTJZSA-N 1 0 340.467 2.736 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000471688142 478008011 /nfs/dbraw/zinc/00/80/11/478008011.db2.gz LQXCRUYNFCIFKV-WMZOPIPTSA-N 1 0 340.471 2.913 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000472235092 478011953 /nfs/dbraw/zinc/01/19/53/478011953.db2.gz VFCKQBWWZABRFQ-LJQANCHMSA-N 1 0 342.487 2.968 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)ccc21 ZINC000581496165 478380429 /nfs/dbraw/zinc/38/04/29/478380429.db2.gz SPJOUJIRBSCPAB-RHSMWYFYSA-N 1 0 343.471 2.714 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000526928304 478407676 /nfs/dbraw/zinc/40/76/76/478407676.db2.gz XYOGVMAPXLNAGE-INIZCTEOSA-N 1 0 340.471 2.866 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCCCn1ccnc1 ZINC000527446869 478425516 /nfs/dbraw/zinc/42/55/16/478425516.db2.gz YWCBJWLAXLISRW-UHFFFAOYSA-N 1 0 339.443 2.963 20 10 EFCDRO COc1ccc(O)c(C[NH2+]Cc2csc(-c3cnn(C)c3)n2)c1 ZINC000527659967 478466036 /nfs/dbraw/zinc/46/60/36/478466036.db2.gz NKWXORQZSXMWKB-UHFFFAOYSA-N 1 0 330.413 2.548 20 10 EFCDRO COC[C@]1([NH2+]Cc2cccc(OC)c2O)COc2ccccc2C1 ZINC000527796881 478522545 /nfs/dbraw/zinc/52/25/45/478522545.db2.gz BNIQHXDIKDPPLN-IBGZPJMESA-N 1 0 329.396 2.511 20 10 EFCDRO Cc1c(/C=C/C(=O)N(CC[NH+]2CCCC2)c2ccccc2)cnn1C ZINC000492262473 478898498 /nfs/dbraw/zinc/89/84/98/478898498.db2.gz ILCBOCAHJOQBHP-ZHACJKMWSA-N 1 0 338.455 2.871 20 10 EFCDRO COc1ccc(N(C)C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)cc1Cl ZINC000592536433 478936783 /nfs/dbraw/zinc/93/67/83/478936783.db2.gz FCGHWWWCXCXTDV-NSHDSACASA-N 1 0 348.834 2.658 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)ccc21 ZINC000583760170 478936762 /nfs/dbraw/zinc/93/67/62/478936762.db2.gz BYKAOPMOSMDNSQ-UGSOOPFHSA-N 1 0 343.471 2.714 20 10 EFCDRO CC(C)Oc1ccc(N(C)C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)cc1 ZINC000592567879 478943185 /nfs/dbraw/zinc/94/31/85/478943185.db2.gz YLCSUCZFMJUHJQ-AWEZNQCLSA-N 1 0 342.443 2.783 20 10 EFCDRO C[C@H]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c2c(O)cccc21 ZINC000592566366 478943552 /nfs/dbraw/zinc/94/35/52/478943552.db2.gz MBVCGAHPEVHKSL-STQMWFEESA-N 1 0 340.427 2.579 20 10 EFCDRO CN(C(=O)C=Cc1c[nH]cn1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000492810268 479020591 /nfs/dbraw/zinc/02/05/91/479020591.db2.gz HVPRONMDWVNFFV-WTKPLQERSA-N 1 0 340.427 2.561 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[NH2+][C@H](C)[C@H]3C)ccc21 ZINC000566627258 479094833 /nfs/dbraw/zinc/09/48/33/479094833.db2.gz MOXAJIMOYAXIJS-GDBMZVCRSA-N 1 0 343.471 2.727 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@](C)(C[NH3+])C3CC3)ccc21 ZINC000568525061 479127336 /nfs/dbraw/zinc/12/73/36/479127336.db2.gz CCLHPWRVANQQSE-HXUWFJFHSA-N 1 0 343.471 2.762 20 10 EFCDRO COc1cccc([C@@H](C[NH2+]Cc2cc(OC)c(OC)cc2O)OC)c1 ZINC000529637820 479232695 /nfs/dbraw/zinc/23/26/95/479232695.db2.gz FUZZAVVXVHXUCP-LJQANCHMSA-N 1 0 347.411 2.895 20 10 EFCDRO COC[C@@]1([NH2+]Cc2cc(OC)ccc2O)COc2ccccc2C1 ZINC000529669157 479242552 /nfs/dbraw/zinc/24/25/52/479242552.db2.gz PKNUMMWIGNVVRC-LJQANCHMSA-N 1 0 329.396 2.511 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000579215996 479674850 /nfs/dbraw/zinc/67/48/50/479674850.db2.gz YJOKSRKTPRIYLG-OWCLPIDISA-N 1 0 340.471 2.674 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC(C[NH+](C)C)C3)ccc21 ZINC000615510726 479681824 /nfs/dbraw/zinc/68/18/24/479681824.db2.gz UNPKXUJBMMWYMW-UHFFFAOYSA-N 1 0 343.471 2.538 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[NH2+]CC3(C)C)ccc21 ZINC000653053684 481050740 /nfs/dbraw/zinc/05/07/40/481050740.db2.gz BGGNKLNJHKTGEI-UHFFFAOYSA-N 1 0 343.471 2.729 20 10 EFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NCC2([NH3+])CCC2)CCCC1 ZINC000653129053 481097940 /nfs/dbraw/zinc/09/79/40/481097940.db2.gz MOQQAFTXZXNUKD-UHFFFAOYSA-N 1 0 341.455 2.526 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)ccc21 ZINC000653133463 481100414 /nfs/dbraw/zinc/10/04/14/481100414.db2.gz MGJNUSVJSVTCRI-SJORKVTESA-N 1 0 343.471 2.904 20 10 EFCDRO CN1CCCN(C(=O)c2cccc3c2CC[NH2+]C3)c2ccc(F)cc21 ZINC000662743407 481956703 /nfs/dbraw/zinc/95/67/03/481956703.db2.gz IJXGBSJOPAAWQB-UHFFFAOYSA-N 1 0 339.414 2.958 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC3([NH3+])CCCC3)ccc21 ZINC000662864179 481998032 /nfs/dbraw/zinc/99/80/32/481998032.db2.gz LSNJBWNNXFUFBQ-UHFFFAOYSA-N 1 0 343.471 2.906 20 10 EFCDRO COc1ccc(N2CC[NH+](Cc3cccc(NC(C)=O)c3)CC2)cc1 ZINC000170643068 534012667 /nfs/dbraw/zinc/01/26/67/534012667.db2.gz WMASBSVRFSJRBR-UHFFFAOYSA-N 1 0 339.439 2.976 20 10 EFCDRO COc1ccc(O)c(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000177723439 534200744 /nfs/dbraw/zinc/20/07/44/534200744.db2.gz PCKDGSQHLKPWCP-CQSZACIVSA-N 1 0 332.444 2.672 20 10 EFCDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000297877912 522878214 /nfs/dbraw/zinc/87/82/14/522878214.db2.gz UXMFDMFTYIDQNY-WMZOPIPTSA-N 1 0 329.396 2.720 20 10 EFCDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cc(Br)ccc1O ZINC000036794312 522907574 /nfs/dbraw/zinc/90/75/74/522907574.db2.gz AHKAGAAMLOZJEJ-JOYOIKCWSA-N 1 0 329.238 2.672 20 10 EFCDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(C)n1 ZINC000165179392 534751351 /nfs/dbraw/zinc/75/13/51/534751351.db2.gz HQMOTRMTSBUFLV-CYBMUJFWSA-N 1 0 344.434 2.920 20 10 EFCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000176465503 527895216 /nfs/dbraw/zinc/89/52/16/527895216.db2.gz CJEHWGQGMSXOGJ-CVEARBPZSA-N 1 0 348.466 2.660 20 10 EFCDRO CC[N@@H+]1CCCN(Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000297001333 535519978 /nfs/dbraw/zinc/51/99/78/535519978.db2.gz FZBYRJOMRUTEPC-UHFFFAOYSA-N 1 0 331.504 2.829 20 10 EFCDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000298733909 535566382 /nfs/dbraw/zinc/56/63/82/535566382.db2.gz OWCPCOCCFMJFJY-MRXNPFEDSA-N 1 0 326.444 2.703 20 10 EFCDRO CCN(C(=O)c1cccc(O)c1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193163606 535700538 /nfs/dbraw/zinc/70/05/38/535700538.db2.gz BJWYZUDOSQXIFP-INIZCTEOSA-N 1 0 340.423 2.834 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@@](C)(CC(=O)OC)c2ccncc2)c1 ZINC000191906897 535752134 /nfs/dbraw/zinc/75/21/34/535752134.db2.gz KQUGGGSVQOJEGR-IBGZPJMESA-N 1 0 344.411 2.754 20 10 EFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)cc1 ZINC000370615258 535765260 /nfs/dbraw/zinc/76/52/60/535765260.db2.gz ATRKERPDGCKPIW-RDJZCZTQSA-N 1 0 327.476 2.806 20 10 EFCDRO CC[C@@H]([NH2+][C@H](CCO)COC)c1cc(Br)ccc1O ZINC000229556231 535808797 /nfs/dbraw/zinc/80/87/97/535808797.db2.gz UKBVNQOCVRSGAX-DGCLKSJQSA-N 1 0 332.238 2.593 20 10 EFCDRO CC[C@H](C)[C@H]([NH3+])C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000236995739 535950771 /nfs/dbraw/zinc/95/07/71/535950771.db2.gz LCWVAUDLTXBLIT-HZMBPMFUSA-N 1 0 343.265 2.877 20 10 EFCDRO C[NH+]1CCC(Nc2ccccc2NC(=O)Cc2ccc(N)cc2)CC1 ZINC000262646459 536345669 /nfs/dbraw/zinc/34/56/69/536345669.db2.gz OMESUBDJZXIONF-UHFFFAOYSA-N 1 0 338.455 2.956 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)c2C)cc1 ZINC000269260141 536550335 /nfs/dbraw/zinc/55/03/35/536550335.db2.gz IYINUSOGAMMHCF-ORAYPTAESA-N 1 0 341.455 2.912 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@](C)(C[NH3+])C3CC3)c2C)cc1 ZINC000237507701 536552567 /nfs/dbraw/zinc/55/25/67/536552567.db2.gz UGEKQDBCNDNKCB-HXUWFJFHSA-N 1 0 341.455 2.960 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H](C)C(=O)NC(C)(C)C)CC2)cc1 ZINC000362971320 536670568 /nfs/dbraw/zinc/67/05/68/536670568.db2.gz SIFLRLHZQXSEQV-AWEZNQCLSA-N 1 0 333.476 2.557 20 10 EFCDRO COC1CCN(c2ccc(C[N@@H+]3CCOC[C@H]3C3CC3)cc2)CC1 ZINC000296240911 536756576 /nfs/dbraw/zinc/75/65/76/536756576.db2.gz IEFVSTWRTQCBQV-FQEVSTJZSA-N 1 0 330.472 2.913 20 10 EFCDRO COC1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]3CCO)cc2)CC1 ZINC000295906959 536757393 /nfs/dbraw/zinc/75/73/93/536757393.db2.gz FLYYETYPMYNBEZ-XLIONFOSSA-N 1 0 332.488 2.943 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@]2(CO)CCCc3ccccc32)cc1OC ZINC000367031773 536856649 /nfs/dbraw/zinc/85/66/49/536856649.db2.gz WNKMXDPGPHGGTL-FQEVSTJZSA-N 1 0 343.423 2.723 20 10 EFCDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000339285684 545926981 /nfs/dbraw/zinc/92/69/81/545926981.db2.gz SDYZOEQKKFUHFO-OAHLLOKOSA-N 1 0 331.460 2.743 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c(O)c(C(C)(C)C)c1 ZINC000754719861 575476973 /nfs/dbraw/zinc/47/69/73/575476973.db2.gz JFQHALJHEGZMIS-KRWDZBQOSA-N 1 0 346.471 2.941 20 10 EFCDRO Cc1cc(C)c(O)c(C[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000754726655 575478414 /nfs/dbraw/zinc/47/84/14/575478414.db2.gz UDPAGTWARACAJT-ZDUSSCGKSA-N 1 0 330.350 2.604 20 10 EFCDRO O=S1(=O)CCC(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000756041115 575675231 /nfs/dbraw/zinc/67/52/31/575675231.db2.gz IYSQUQOCAPDOAP-UHFFFAOYSA-N 1 0 345.464 2.974 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[NH2+]CCC(C)(C)CCC(=O)[O-])cc2)CC1 ZINC000756307344 575714792 /nfs/dbraw/zinc/71/47/92/575714792.db2.gz FYFQBEOIIWLBLJ-UHFFFAOYSA-N 1 0 347.503 2.809 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c(O)c1 ZINC000756362104 575723279 /nfs/dbraw/zinc/72/32/79/575723279.db2.gz MLPHYAXOCILBQP-AWEZNQCLSA-N 1 0 345.443 2.606 20 10 EFCDRO C[C@H]1C[C@@H]([NH2+]CCc2nnc3ccccn32)c2c1c(F)ccc2O ZINC000756365162 575723761 /nfs/dbraw/zinc/72/37/61/575723761.db2.gz XHQJYCOFBVUGNV-WCQYABFASA-N 1 0 326.375 2.955 20 10 EFCDRO CNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000756434310 575738451 /nfs/dbraw/zinc/73/84/51/575738451.db2.gz LHGFAKVTANANDN-OAHLLOKOSA-N 1 0 342.439 2.985 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)c2ccc(F)cc2)c1 ZINC000756456453 575742146 /nfs/dbraw/zinc/74/21/46/575742146.db2.gz XOGYVXKOJVQWCV-GFCCVEGCSA-N 1 0 332.375 2.621 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccn(C)n1 ZINC000756456483 575742274 /nfs/dbraw/zinc/74/22/74/575742274.db2.gz HKDFYVOXSKXGQZ-IBGZPJMESA-N 1 0 342.487 2.870 20 10 EFCDRO C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc(Br)ccc1O ZINC000756533046 575756232 /nfs/dbraw/zinc/75/62/32/575756232.db2.gz HNYJTIQITCEFIR-RYUDHWBXSA-N 1 0 343.265 2.526 20 10 EFCDRO C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756587043 575765732 /nfs/dbraw/zinc/76/57/32/575765732.db2.gz YJCLEEFSTYCNJA-CHWSQXEVSA-N 1 0 340.414 2.822 20 10 EFCDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCC(N)=O)c2)c2c1c(F)ccc2O ZINC000756608729 575767371 /nfs/dbraw/zinc/76/73/71/575767371.db2.gz LCENNOGHRJFYTM-XHDPSFHLSA-N 1 0 344.386 2.734 20 10 EFCDRO C[C@@H]([NH2+]CCNc1cnccn1)c1ccc(Br)cc1O ZINC000756647389 575772147 /nfs/dbraw/zinc/77/21/47/575772147.db2.gz UAIPJYQJMUUIIF-SNVBAGLBSA-N 1 0 337.221 2.707 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2=O)c2c1c(F)ccc2O ZINC000756713909 575779767 /nfs/dbraw/zinc/77/97/67/575779767.db2.gz ZALIUGCCVLCWLN-MIMYLULJSA-N 1 0 346.324 2.832 20 10 EFCDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756760890 575784676 /nfs/dbraw/zinc/78/46/76/575784676.db2.gz KROOPEZSTGDSOQ-HIFRSBDPSA-N 1 0 340.489 2.801 20 10 EFCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1cc(Br)ccc1O ZINC000756761894 575784797 /nfs/dbraw/zinc/78/47/97/575784797.db2.gz VOCHXMDITQXXFM-ZIBATOQPSA-N 1 0 343.265 2.524 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000756763774 575785049 /nfs/dbraw/zinc/78/50/49/575785049.db2.gz YSLYNQLPNBJQJZ-DYVFJYSZSA-N 1 0 332.444 2.985 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000756770056 575785485 /nfs/dbraw/zinc/78/54/85/575785485.db2.gz ISZYXRJULOMXMZ-RFUYNDQBSA-N 1 0 331.412 2.536 20 10 EFCDRO C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc2c(cc1O)CCCC2 ZINC000756789763 575786893 /nfs/dbraw/zinc/78/68/93/575786893.db2.gz ISBYLHZRYIICMK-ZDUSSCGKSA-N 1 0 326.444 2.978 20 10 EFCDRO CC[NH+]1CCC(NC(=O)CN(CC(C)C)c2ccc(OC)cc2)CC1 ZINC000756822588 575789667 /nfs/dbraw/zinc/78/96/67/575789667.db2.gz BFZTYBIOTKQHPV-UHFFFAOYSA-N 1 0 347.503 2.758 20 10 EFCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cc(Cl)ccc1O ZINC000756837959 575790535 /nfs/dbraw/zinc/79/05/35/575790535.db2.gz KHVIEAGBDCBFPC-JRPNMDOOSA-N 1 0 348.834 2.624 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000757635037 575846570 /nfs/dbraw/zinc/84/65/70/575846570.db2.gz MCBNILJXVAALBD-KXBFYZLASA-N 1 0 344.503 2.815 20 10 EFCDRO C[C@@H]([NH2+]C1COC(C)(C)OC1)c1cc(Br)ccc1O ZINC000757698819 575850375 /nfs/dbraw/zinc/85/03/75/575850375.db2.gz SVBAIMPURCVQQT-SECBINFHSA-N 1 0 330.222 2.957 20 10 EFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CC3(C)CC3)CC2)cc1 ZINC000757872959 575854951 /nfs/dbraw/zinc/85/49/51/575854951.db2.gz FHHRLVRNZBTBJN-UHFFFAOYSA-N 1 0 345.487 2.514 20 10 EFCDRO C[N@H+](CCc1ccncc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000757889667 575855250 /nfs/dbraw/zinc/85/52/50/575855250.db2.gz ZGIRXHTVWZNKPZ-UHFFFAOYSA-N 1 0 329.419 2.732 20 10 EFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000758802594 575877644 /nfs/dbraw/zinc/87/76/44/575877644.db2.gz NJKWUTMVKGOTJN-GOSISDBHSA-N 1 0 342.487 2.736 20 10 EFCDRO CC[NH+](CC)C[C@H](C)NC(=O)NCCCSc1nccs1 ZINC000759569336 575902584 /nfs/dbraw/zinc/90/25/84/575902584.db2.gz JTRJNSVNRKCCRA-LBPRGKRZSA-N 1 0 330.523 2.655 20 10 EFCDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000759579921 575904252 /nfs/dbraw/zinc/90/42/52/575904252.db2.gz LYYWLDCGQSCRES-ZDUSSCGKSA-N 1 0 342.534 2.656 20 10 EFCDRO Oc1ccc2ccncc2c1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000760286142 575999815 /nfs/dbraw/zinc/99/98/15/575999815.db2.gz WZCLPBQOSCLMNJ-UHFFFAOYSA-N 1 0 326.318 2.830 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc3ccc(OC)nc3[nH]2)c1 ZINC000760866895 576082798 /nfs/dbraw/zinc/08/27/98/576082798.db2.gz BDXVXUGZXJFWNK-SNVBAGLBSA-N 1 0 328.372 2.532 20 10 EFCDRO COc1cc(Cl)cc(C[N@H+](C)C2CCC(NC(C)=O)CC2)c1O ZINC000761216993 576131124 /nfs/dbraw/zinc/13/11/24/576131124.db2.gz TYTUSAORMVXDGF-UHFFFAOYSA-N 1 0 340.851 2.933 20 10 EFCDRO Fc1cc(C[N@@H+]2CCOCC3(CCC3)C2)ccc1N1CCOCC1 ZINC000761225830 576132661 /nfs/dbraw/zinc/13/26/61/576132661.db2.gz MAWMWXRIZQOHHG-UHFFFAOYSA-N 1 0 334.435 2.665 20 10 EFCDRO COc1cc(O)c(C[NH2+]Cc2nn(C)c3ccccc23)cc1OC ZINC000761226536 576132780 /nfs/dbraw/zinc/13/27/80/576132780.db2.gz REUKERMKEZAJKL-UHFFFAOYSA-N 1 0 327.384 2.586 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1 ZINC000761229693 576133439 /nfs/dbraw/zinc/13/34/39/576133439.db2.gz SDEYXTCWKSCQQJ-QGZVFWFLSA-N 1 0 330.476 2.569 20 10 EFCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CC[C@H]3SCCS[C@H]13)OCO2 ZINC000762616191 576318265 /nfs/dbraw/zinc/31/82/65/576318265.db2.gz RWHJUKROKHWIJX-VCTAVGKDSA-N 1 0 325.455 2.590 20 10 EFCDRO C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000762790206 576331688 /nfs/dbraw/zinc/33/16/88/576331688.db2.gz YQZBYXJFCUHEQL-PXNSSMCTSA-N 1 0 331.504 2.784 20 10 EFCDRO CO[C@@]1(C[NH2+][C@H](C)c2cc(Br)ccc2O)CCOC1 ZINC000763573232 576381559 /nfs/dbraw/zinc/38/15/59/576381559.db2.gz QVVBOQPRASDKKI-QMTHXVAHSA-N 1 0 330.222 2.611 20 10 EFCDRO Cc1cc(N(C)C)nc(NCc2cccc(Br)c2O)[nH+]1 ZINC000764933375 576525806 /nfs/dbraw/zinc/52/58/06/576525806.db2.gz CSHKULISGFRNOG-UHFFFAOYSA-N 1 0 337.221 2.931 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1ccc(N(C)C)cc1 ZINC000764958945 576528908 /nfs/dbraw/zinc/52/89/08/576528908.db2.gz XYSSUFOAIMDVFX-GOSISDBHSA-N 1 0 336.443 2.969 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1ccc(N(C)C)cc1 ZINC000764958947 576528975 /nfs/dbraw/zinc/52/89/75/576528975.db2.gz XYSSUFOAIMDVFX-SFHVURJKSA-N 1 0 336.443 2.969 20 10 EFCDRO Cc1ccnc(N2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)c1 ZINC000765139486 577011433 /nfs/dbraw/zinc/01/14/33/577011433.db2.gz BDWIMDJNKNPMGX-UHFFFAOYSA-N 1 0 334.423 2.966 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000765287986 577027660 /nfs/dbraw/zinc/02/76/60/577027660.db2.gz ITKVLLYLMVOFHM-KBXCAEBGSA-N 1 0 332.419 2.982 20 10 EFCDRO C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000765289623 577027765 /nfs/dbraw/zinc/02/77/65/577027765.db2.gz CCXGKQRXKUSJFI-CYBMUJFWSA-N 1 0 334.851 2.761 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CCOCC1 ZINC000765298539 577029100 /nfs/dbraw/zinc/02/91/00/577029100.db2.gz WKMUFLFVNHDFHN-INIZCTEOSA-N 1 0 332.488 2.800 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccccc1O ZINC000765313109 577031180 /nfs/dbraw/zinc/03/11/80/577031180.db2.gz BIFQAEXUJDZKGE-CRAIPNDOSA-N 1 0 339.439 2.712 20 10 EFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1C ZINC000765660975 577063895 /nfs/dbraw/zinc/06/38/95/577063895.db2.gz WQBIKBXXXUKJMH-IRXDYDNUSA-N 1 0 344.503 2.911 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000765733293 577071502 /nfs/dbraw/zinc/07/15/02/577071502.db2.gz WOWLQAFWMLRASI-OXJNMPFZSA-N 1 0 328.456 2.981 20 10 EFCDRO CC(C)CC[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978717 577094791 /nfs/dbraw/zinc/09/47/91/577094791.db2.gz GKDALCLDTWVDHD-INIZCTEOSA-N 1 0 338.517 2.836 20 10 EFCDRO c1csc(SCCC[NH2+]C2CCN(c3cnccn3)CC2)n1 ZINC000766074618 577104363 /nfs/dbraw/zinc/10/43/63/577104363.db2.gz XSHZTDMHIGKCQQ-UHFFFAOYSA-N 1 0 335.502 2.674 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(C(F)F)CC2)cc1 ZINC000766191278 577119518 /nfs/dbraw/zinc/11/95/18/577119518.db2.gz SEVKNMXPINVWJY-UHFFFAOYSA-N 1 0 339.430 2.688 20 10 EFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(N(C)C)cc2C)C[C@@H]1C ZINC000766244443 577125858 /nfs/dbraw/zinc/12/58/58/577125858.db2.gz FGBHQVVETZIALT-HOTGVXAUSA-N 1 0 332.492 2.685 20 10 EFCDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCCSc2nccs2)C[C@@H]1C ZINC000766247984 577126439 /nfs/dbraw/zinc/12/64/39/577126439.db2.gz GDKDRSNQTBDAFW-QWHCGFSZSA-N 1 0 342.534 2.749 20 10 EFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCCSc2nccs2)C[C@@H]1C ZINC000766247985 577126452 /nfs/dbraw/zinc/12/64/52/577126452.db2.gz GDKDRSNQTBDAFW-STQMWFEESA-N 1 0 342.534 2.749 20 10 EFCDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000766252653 577127600 /nfs/dbraw/zinc/12/76/00/577127600.db2.gz RLZAFHBNCXKEBG-ZIAGYGMSSA-N 1 0 336.455 2.516 20 10 EFCDRO CCC[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCN1CCOC ZINC000766373100 577141171 /nfs/dbraw/zinc/14/11/71/577141171.db2.gz FCCZVGGZJAVJDO-KRWDZBQOSA-N 1 0 343.471 2.873 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000766376186 577141929 /nfs/dbraw/zinc/14/19/29/577141929.db2.gz SCVJFUZZWFJODF-CYBMUJFWSA-N 1 0 342.399 2.950 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCc4c[nH]nc4C3)CC2)cc1 ZINC000766585931 577169318 /nfs/dbraw/zinc/16/93/18/577169318.db2.gz YVCXIOUZOPPHLM-INIZCTEOSA-N 1 0 326.444 2.534 20 10 EFCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)CC1(CS(C)(=O)=O)CC1 ZINC000767349345 577205598 /nfs/dbraw/zinc/20/55/98/577205598.db2.gz PDBUOSIGMYAZTE-UHFFFAOYSA-N 1 0 338.517 2.788 20 10 EFCDRO CC(C)[N@@H+]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000768138826 577257030 /nfs/dbraw/zinc/25/70/30/577257030.db2.gz UYNYFXAZATVLSU-UHFFFAOYSA-N 1 0 335.467 2.578 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000768162758 577258833 /nfs/dbraw/zinc/25/88/33/577258833.db2.gz HSIBWCUBBZYJST-UHFFFAOYSA-N 1 0 343.383 2.631 20 10 EFCDRO CCCC[N@H+](Cc1ccc(OCC)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000768169036 577259069 /nfs/dbraw/zinc/25/90/69/577259069.db2.gz CCOOEQJIHXSVNK-HNNXBMFYSA-N 1 0 341.473 2.580 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c(O)c1 ZINC000768347943 577267682 /nfs/dbraw/zinc/26/76/82/577267682.db2.gz YLLUXJRLHGJIQT-MRXNPFEDSA-N 1 0 332.444 2.529 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000768352609 577268052 /nfs/dbraw/zinc/26/80/52/577268052.db2.gz PBOKXMGBQVYSOB-ZDUSSCGKSA-N 1 0 336.432 2.890 20 10 EFCDRO CC(C)C(=O)N1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768444476 577274020 /nfs/dbraw/zinc/27/40/20/577274020.db2.gz BRHPTVPQPAMICX-UHFFFAOYSA-N 1 0 330.472 2.961 20 10 EFCDRO COc1ccc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)cc1F ZINC000768443196 577274108 /nfs/dbraw/zinc/27/41/08/577274108.db2.gz ZXCKDZSOYCPHSY-MRXNPFEDSA-N 1 0 333.359 2.598 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](Cc3ccccc3)C1)[C@H](O)CO2 ZINC000768449257 577274606 /nfs/dbraw/zinc/27/46/06/577274606.db2.gz YZTDWXQAEUELLE-HNAYVOBHSA-N 1 0 325.408 2.883 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000768452803 577275198 /nfs/dbraw/zinc/27/51/98/577275198.db2.gz SMQKUGYAFJRXRV-AWEZNQCLSA-N 1 0 336.432 2.808 20 10 EFCDRO Oc1cc2c(cc1C[NH2+]C1(c3ccccc3)CCOCC1)[C@@H](O)CO2 ZINC000768464586 577276305 /nfs/dbraw/zinc/27/63/05/577276305.db2.gz CIBYZIKGXZMRKD-SFHVURJKSA-N 1 0 341.407 2.614 20 10 EFCDRO Oc1cc2c(cc1C[NH2+]C1(c3nccs3)CCCC1)[C@H](O)CO2 ZINC000768465639 577276315 /nfs/dbraw/zinc/27/63/15/577276315.db2.gz OAHDAIJCVNIANY-CQSZACIVSA-N 1 0 332.425 2.834 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c1 ZINC000768532156 577280980 /nfs/dbraw/zinc/28/09/80/577280980.db2.gz MEIMPUJSXDMXRF-HNNXBMFYSA-N 1 0 333.350 2.926 20 10 EFCDRO COC[C@@H]1CCCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000768539792 577281982 /nfs/dbraw/zinc/28/19/82/577281982.db2.gz BVHUZDAXQZRXIT-QGZVFWFLSA-N 1 0 336.451 2.911 20 10 EFCDRO Cc1ccc(NC(=O)C2=CC(=O)CS2)cc1NC(=O)CC[NH+](C)C ZINC000768731207 577297718 /nfs/dbraw/zinc/29/77/18/577297718.db2.gz YRTGCPKZHMFJIP-UHFFFAOYSA-N 1 0 347.440 2.905 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c(O)c1 ZINC000768872706 577312535 /nfs/dbraw/zinc/31/25/35/577312535.db2.gz SUWWQOZKCMZXBQ-UHFFFAOYSA-N 1 0 334.460 2.870 20 10 EFCDRO CC[N@H+](CCC(=O)OC)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768992271 577322865 /nfs/dbraw/zinc/32/28/65/577322865.db2.gz LHPYASIJWKZFQA-UHFFFAOYSA-N 1 0 349.431 2.970 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000769106981 577334814 /nfs/dbraw/zinc/33/48/14/577334814.db2.gz HZVVLEJCRLUIDA-SOLBZPMBSA-N 1 0 348.487 2.865 20 10 EFCDRO O=[N+]([O-])c1cc(C[N@H+](CCO)CC2CC2)ccc1N1CCCCC1 ZINC000769105430 577334833 /nfs/dbraw/zinc/33/48/33/577334833.db2.gz DEMQCOJVQLNHHV-UHFFFAOYSA-N 1 0 333.432 2.789 20 10 EFCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC000769209802 577344595 /nfs/dbraw/zinc/34/45/95/577344595.db2.gz VBXRYXSUULXFPX-MRXNPFEDSA-N 1 0 334.460 2.919 20 10 EFCDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C1=CC(=O)CS1 ZINC000769336533 577353078 /nfs/dbraw/zinc/35/30/78/577353078.db2.gz FEILJDFBZIEROO-UHFFFAOYSA-N 1 0 340.395 2.936 20 10 EFCDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C1=CC(=O)CS1 ZINC000769337641 577353281 /nfs/dbraw/zinc/35/32/81/577353281.db2.gz LLKXCVHHVAURPK-UHFFFAOYSA-N 1 0 340.395 2.936 20 10 EFCDRO CC[N@@H+]1CCN(Cc2cc(Br)cc(OC)c2O)C[C@@H]1C ZINC000769381204 577357293 /nfs/dbraw/zinc/35/72/93/577357293.db2.gz MEXZNTAWYMMICU-NSHDSACASA-N 1 0 343.265 2.689 20 10 EFCDRO C[N@H+](CCn1cccn1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769402989 577359907 /nfs/dbraw/zinc/35/99/07/577359907.db2.gz GCJMEDZXZHVQKZ-UHFFFAOYSA-N 1 0 343.431 2.914 20 10 EFCDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC000769467823 577364816 /nfs/dbraw/zinc/36/48/16/577364816.db2.gz ZKYKMBSOYZPHSJ-JKSUJKDBSA-N 1 0 335.467 2.577 20 10 EFCDRO C[C@]1(O)CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769469464 577364964 /nfs/dbraw/zinc/36/49/64/577364964.db2.gz YVMIXFIWTITZPZ-SFHVURJKSA-N 1 0 333.432 2.932 20 10 EFCDRO C[N@H+](Cc1c(O)cccc1Cl)CC(C)(C)CN1CCOCC1 ZINC000769513606 577368937 /nfs/dbraw/zinc/36/89/37/577368937.db2.gz CXLMSNOFEOIQTQ-UHFFFAOYSA-N 1 0 326.868 2.836 20 10 EFCDRO Fc1cc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)ccc1N1CCOCC1 ZINC000769515456 577369115 /nfs/dbraw/zinc/36/91/15/577369115.db2.gz QSQZDZOVTQRJHA-SJORKVTESA-N 1 0 334.435 2.521 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c(O)c1 ZINC000769516082 577369407 /nfs/dbraw/zinc/36/94/07/577369407.db2.gz YOPITVFPNDOCKQ-HNNXBMFYSA-N 1 0 333.350 2.926 20 10 EFCDRO COc1ccc(N2CCC(NC(=O)CC[C@H]3CCCO3)CC2)cc1 ZINC000726564046 577373969 /nfs/dbraw/zinc/37/39/69/577373969.db2.gz YYYVCQYVLOWIFM-GOSISDBHSA-N 1 0 332.444 2.739 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCO[C@H](C)C2)c1O ZINC000769710556 577380084 /nfs/dbraw/zinc/38/00/84/577380084.db2.gz NAKNHFBUXHCCIC-SKDRFNHKSA-N 1 0 330.222 2.820 20 10 EFCDRO CC[N@H+](CCNC(=O)NCc1ccc(N2CCCC2)cc1)C(C)C ZINC000726705397 577380882 /nfs/dbraw/zinc/38/08/82/577380882.db2.gz JUPHYBSCJVVATR-UHFFFAOYSA-N 1 0 332.492 2.816 20 10 EFCDRO C[C@H]([NH2+]CCO[C@@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000769787197 577385038 /nfs/dbraw/zinc/38/50/38/577385038.db2.gz PRHXDVOEXKUWDA-QFBILLFUSA-N 1 0 334.460 2.717 20 10 EFCDRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@H]1CN(C)CCO1 ZINC000769933864 577394042 /nfs/dbraw/zinc/39/40/42/577394042.db2.gz JRLSFZUHDXXVNI-FOIQADDNSA-N 1 0 326.440 2.868 20 10 EFCDRO CCC[C@H]1CN(Cc2cc(Cl)ccc2O)CC[N@@H+]1CCOC ZINC000770283694 577409799 /nfs/dbraw/zinc/40/97/99/577409799.db2.gz KNONUVNZLOCXJS-INIZCTEOSA-N 1 0 326.868 2.978 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000770381948 577414114 /nfs/dbraw/zinc/41/41/14/577414114.db2.gz SXYBDOIBQMKWSK-ZDUSSCGKSA-N 1 0 328.416 2.776 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000770629813 581118866 /nfs/dbraw/zinc/11/88/66/581118866.db2.gz LNZKRBWSJVSBJH-ZDUSSCGKSA-N 1 0 347.459 2.635 20 10 EFCDRO CC[C@H](OC)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771053679 581169204 /nfs/dbraw/zinc/16/92/04/581169204.db2.gz PPCKZHAYFIRINW-HOCLYGCPSA-N 1 0 340.851 2.551 20 10 EFCDRO Cc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c(C)n1-c1ccccn1 ZINC000771398205 581207645 /nfs/dbraw/zinc/20/76/45/581207645.db2.gz SIWVMFKNKSQATG-CABCVRRESA-N 1 0 326.444 2.654 20 10 EFCDRO C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000771512104 581219638 /nfs/dbraw/zinc/21/96/38/581219638.db2.gz XUWGCDJRCBWJIA-CKCYYWNBSA-N 1 0 340.423 2.919 20 10 EFCDRO C[NH+]1CCN(c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)CC1 ZINC000771521217 581220209 /nfs/dbraw/zinc/22/02/09/581220209.db2.gz RUJVPMSWSNHBHC-XDJHFCHBSA-N 1 0 347.418 2.783 20 10 EFCDRO C[NH+]1CCN(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)CC1 ZINC000771521216 581220212 /nfs/dbraw/zinc/22/02/12/581220212.db2.gz RUJVPMSWSNHBHC-CYVLTUHYSA-N 1 0 347.418 2.783 20 10 EFCDRO COC[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccco1 ZINC000771841860 581249531 /nfs/dbraw/zinc/24/95/31/581249531.db2.gz GGMZCORZRXLURM-SFHVURJKSA-N 1 0 329.444 2.509 20 10 EFCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000772424474 581321758 /nfs/dbraw/zinc/32/17/58/581321758.db2.gz SUSYRKJGWYYHHI-HOTGVXAUSA-N 1 0 347.503 2.867 20 10 EFCDRO C[C@H]([NH2+]CC(C)(C)CO)c1ccc(N2CCOCC2)cc1Cl ZINC000773071948 581393704 /nfs/dbraw/zinc/39/37/04/581393704.db2.gz LSAFTVKORXWSPS-ZDUSSCGKSA-N 1 0 326.868 2.846 20 10 EFCDRO C[C@H](NC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773217068 581406431 /nfs/dbraw/zinc/40/64/31/581406431.db2.gz HCSHXDOBCGKRSY-HOTGVXAUSA-N 1 0 332.492 2.845 20 10 EFCDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000773274878 581413027 /nfs/dbraw/zinc/41/30/27/581413027.db2.gz XXQLDWVUCIKMKC-QGTPRVQTSA-N 1 0 330.476 2.740 20 10 EFCDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000773324531 581419042 /nfs/dbraw/zinc/41/90/42/581419042.db2.gz CUKGOKVXMKBXLU-GOSISDBHSA-N 1 0 335.400 2.532 20 10 EFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C[C@H]1C ZINC000773616076 581450762 /nfs/dbraw/zinc/45/07/62/581450762.db2.gz HGNCQDUSHTXRQA-OWCLPIDISA-N 1 0 332.492 2.938 20 10 EFCDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)o1 ZINC000773750740 581461418 /nfs/dbraw/zinc/46/14/18/581461418.db2.gz WJDHMSAXEWPYTM-ZDUSSCGKSA-N 1 0 346.427 2.894 20 10 EFCDRO CCN(C)c1ccc(C[N@H+](CCC(=O)OC)C[C@@H]2CCCO2)cc1 ZINC000773751656 581461420 /nfs/dbraw/zinc/46/14/20/581461420.db2.gz GDTHSKUDMUCKII-SFHVURJKSA-N 1 0 334.460 2.687 20 10 EFCDRO COC[C@@H](C)OC[C@H](O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000773758742 581462439 /nfs/dbraw/zinc/46/24/39/581462439.db2.gz XSUXDUBAQHFHLE-CRAIPNDOSA-N 1 0 337.460 2.549 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1C ZINC000774403341 581490888 /nfs/dbraw/zinc/49/08/88/581490888.db2.gz JBDPXOXAOIJRCK-ZDUSSCGKSA-N 1 0 334.441 2.502 20 10 EFCDRO Cc1cc(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)ccc1N(C)C ZINC000774446529 581491735 /nfs/dbraw/zinc/49/17/35/581491735.db2.gz BYZDWRGMMHTQFM-AWEZNQCLSA-N 1 0 347.484 2.559 20 10 EFCDRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000774487324 581492591 /nfs/dbraw/zinc/49/25/91/581492591.db2.gz ZDFOCOFONAJFOO-OCCSQVGLSA-N 1 0 343.475 2.781 20 10 EFCDRO Cc1cc(C(=O)NCC2CC[NH+](C)CC2)c(C)n1-c1ccccn1 ZINC000725729024 581506301 /nfs/dbraw/zinc/50/63/01/581506301.db2.gz WQHNXNAOJDDPHN-UHFFFAOYSA-N 1 0 326.444 2.561 20 10 EFCDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1O ZINC000736654285 598275232 /nfs/dbraw/zinc/27/52/32/598275232.db2.gz JAXIESLPBRTKAS-GFCCVEGCSA-N 1 0 339.399 2.822 20 10 EFCDRO CN(C)c1ccc(C[NH2+]Cc2cc(C(F)(F)F)nn2C)cc1F ZINC000850099559 1250278283 /nfs/dbraw/zinc/27/82/83/1250278283.db2.gz OVQDNNZRSDEMKK-UHFFFAOYSA-N 1 0 330.329 2.934 20 10 EFCDRO COc1cc(C[NH2+]CC(=O)NC2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000850131019 1250302070 /nfs/dbraw/zinc/30/20/70/1250302070.db2.gz GNIICOKCEXLTGR-UHFFFAOYSA-N 1 0 334.460 2.847 20 10 EFCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000850136974 1250309206 /nfs/dbraw/zinc/30/92/06/1250309206.db2.gz HSXVORSLSNKTRR-SFHVURJKSA-N 1 0 329.396 2.858 20 10 EFCDRO COc1cc(C[NH2+][C@H]2CC(=O)N(C(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000850149994 1250314810 /nfs/dbraw/zinc/31/48/10/1250314810.db2.gz BPQQDGWNNPAFKP-AWEZNQCLSA-N 1 0 334.460 2.797 20 10 EFCDRO COc1cc(C[NH2+][C@H](CCO)CSC)c(O)c(C(C)(C)C)c1 ZINC000850155095 1250319857 /nfs/dbraw/zinc/31/98/57/1250319857.db2.gz NCTARIRIITZAQR-CYBMUJFWSA-N 1 0 327.490 2.902 20 10 EFCDRO COCCOC[C@@H](C)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850159421 1250325381 /nfs/dbraw/zinc/32/53/81/1250325381.db2.gz FKTUVQTUVRZIOM-CYBMUJFWSA-N 1 0 325.449 2.839 20 10 EFCDRO O=C1N(CC(F)(F)F)CC[C@]12CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001273283895 1265476254 /nfs/dbraw/zinc/47/62/54/1265476254.db2.gz BMUAKAJAHVISAX-HNNXBMFYSA-N 1 0 346.324 2.518 20 10 EFCDRO CCCCN1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(F)ccc3O)C2)C1=O ZINC001273286007 1265478051 /nfs/dbraw/zinc/47/80/51/1265478051.db2.gz XKKFLXFYVGSQTG-LJQANCHMSA-N 1 0 348.418 2.673 20 10 EFCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850231041 1250365224 /nfs/dbraw/zinc/36/52/24/1250365224.db2.gz ICPONGWUTYAFNE-ZBFHGGJFSA-N 1 0 334.460 2.703 20 10 EFCDRO COc1cc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)c(O)c(C(C)(C)C)c1 ZINC000850319759 1250426344 /nfs/dbraw/zinc/42/63/44/1250426344.db2.gz FSQKPDGNLQCGJQ-YOEHRIQHSA-N 1 0 346.471 2.941 20 10 EFCDRO CCS(=O)(=O)CCC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850327261 1250430551 /nfs/dbraw/zinc/43/05/51/1250430551.db2.gz HGIYSWJKOGAYQT-UHFFFAOYSA-N 1 0 343.489 2.613 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cncc(OC)c3)C2)cc1 ZINC000850329912 1250433428 /nfs/dbraw/zinc/43/34/28/1250433428.db2.gz FWMCTVFHMVUZTJ-OAHLLOKOSA-N 1 0 327.428 2.715 20 10 EFCDRO COc1cc(C[NH2+]CC[C@@]2(O)CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000850338993 1250438365 /nfs/dbraw/zinc/43/83/65/1250438365.db2.gz MOYLDWAMBXXKAO-IBGZPJMESA-N 1 0 337.460 2.720 20 10 EFCDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000850357010 1250447394 /nfs/dbraw/zinc/44/73/94/1250447394.db2.gz VZRRVWHYNZBGSC-QUJCMNEKSA-N 1 0 346.290 2.934 20 10 EFCDRO CCOCc1cc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)ccc1OC ZINC000850397320 1250463354 /nfs/dbraw/zinc/46/33/54/1250463354.db2.gz VTQCAGOURNHYCZ-LJQANCHMSA-N 1 0 348.487 2.575 20 10 EFCDRO CCCN1CC[C@H]([NH2+]Cc2cc(Br)cc(OC)c2O)C1 ZINC000850395832 1250465304 /nfs/dbraw/zinc/46/53/04/1250465304.db2.gz ZRBGFQSOCUPQNY-ZDUSSCGKSA-N 1 0 343.265 2.737 20 10 EFCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850405944 1250468079 /nfs/dbraw/zinc/46/80/79/1250468079.db2.gz LKIWHHIGJSIKCD-UHFFFAOYSA-N 1 0 326.440 2.952 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccnn3CC3CC3)cc2)CC1 ZINC000850406807 1250470431 /nfs/dbraw/zinc/47/04/31/1250470431.db2.gz UVYLPZBVRSZQMX-UHFFFAOYSA-N 1 0 340.471 2.544 20 10 EFCDRO CCn1cc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)nn1 ZINC000850522474 1250520052 /nfs/dbraw/zinc/52/00/52/1250520052.db2.gz QQROUBDXIBTBRU-JTQLQIEISA-N 1 0 339.237 2.925 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850545952 1250531333 /nfs/dbraw/zinc/53/13/33/1250531333.db2.gz VLAOYPQRAZHIIZ-GDBMZVCRSA-N 1 0 336.451 2.722 20 10 EFCDRO CCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000850556053 1250534956 /nfs/dbraw/zinc/53/49/56/1250534956.db2.gz QJFJHZHCJFISHZ-DOTOQJQBSA-N 1 0 335.467 2.797 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)CC1 ZINC000850566467 1250539337 /nfs/dbraw/zinc/53/93/37/1250539337.db2.gz NUJJJEYNZCUFJR-ZCNNSNEGSA-N 1 0 342.483 2.695 20 10 EFCDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567989 1250540264 /nfs/dbraw/zinc/54/02/64/1250540264.db2.gz NHDMHAFCVLJPNW-LJQANCHMSA-N 1 0 340.471 2.548 20 10 EFCDRO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568336 1250540813 /nfs/dbraw/zinc/54/08/13/1250540813.db2.gz VREUKOIHLNCDDQ-YLJYHZDGSA-N 1 0 332.488 2.943 20 10 EFCDRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cc2c(cc1O)CCCC2 ZINC000186090052 1254279105 /nfs/dbraw/zinc/27/91/05/1254279105.db2.gz WLEYUMNODOLJLJ-CYBMUJFWSA-N 1 0 337.485 2.746 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@H]3C)CC2(C)C)cc1C ZINC000996129737 1255032048 /nfs/dbraw/zinc/03/20/48/1255032048.db2.gz DDMJCOJRPNUJIY-MZMPZRCHSA-N 1 0 330.472 2.986 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3(F)F)CC2)cc1C ZINC000996341599 1255219818 /nfs/dbraw/zinc/21/98/18/1255219818.db2.gz UBPVPUGDHBKVIW-HNNXBMFYSA-N 1 0 338.398 2.739 20 10 EFCDRO CC(C)C[NH2+][C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1(C)C ZINC000996686256 1255740442 /nfs/dbraw/zinc/74/04/42/1255740442.db2.gz CXABREOZEZQISJ-HNNXBMFYSA-N 1 0 345.447 2.945 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@@H](C)CO3)CC2)cc1C ZINC000996819388 1256177436 /nfs/dbraw/zinc/17/74/36/1256177436.db2.gz VVRJGEUKGLQHQH-AUUYWEPGSA-N 1 0 346.471 2.509 20 10 EFCDRO c1cnc(N2CCOCC2)c(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921519142 1256891838 /nfs/dbraw/zinc/89/18/38/1256891838.db2.gz AYGLRGBEFTZPJR-UHFFFAOYSA-N 1 0 339.439 2.533 20 10 EFCDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000083552212 1257001166 /nfs/dbraw/zinc/00/11/66/1257001166.db2.gz UUDJAEUYLOZRCD-UHFFFAOYSA-N 1 0 325.817 2.739 20 10 EFCDRO CCOc1cccc(C[NH2+]CC(=O)N(CC)c2ccccc2)c1O ZINC000922477154 1266112476 /nfs/dbraw/zinc/11/24/76/1266112476.db2.gz UTUBNIJRGQTBGN-UHFFFAOYSA-N 1 0 328.412 2.934 20 10 EFCDRO O=C(NCC[NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(F)cc1 ZINC000921593378 1257501786 /nfs/dbraw/zinc/50/17/86/1257501786.db2.gz FACLGQRIJLFEQH-UHFFFAOYSA-N 1 0 328.387 2.670 20 10 EFCDRO CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000921581715 1257503175 /nfs/dbraw/zinc/50/31/75/1257503175.db2.gz NDMQXLSZOOWKEZ-UHFFFAOYSA-N 1 0 334.851 2.752 20 10 EFCDRO CCOCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C)cc1O ZINC001272766629 1257710951 /nfs/dbraw/zinc/71/09/51/1257710951.db2.gz SKPHIMHXCFTRMT-HXUWFJFHSA-N 1 0 346.471 2.694 20 10 EFCDRO Cc1ccc(C[N@@H+]2CCC[C@]23CCN(CC(F)(F)F)C3=O)c(O)c1 ZINC001272767029 1257724769 /nfs/dbraw/zinc/72/47/69/1257724769.db2.gz WOHOOYYPIYVQHE-MRXNPFEDSA-N 1 0 342.361 2.830 20 10 EFCDRO COc1ccc(C[NH2+]CC2CCN(C(=O)CSC)CC2)cc1C ZINC000997514187 1257824109 /nfs/dbraw/zinc/82/41/09/1257824109.db2.gz WUYKMZYMTLKRNO-UHFFFAOYSA-N 1 0 336.501 2.695 20 10 EFCDRO COc1ccc(C[NH2+]CC2CCN(C(=O)c3ccon3)CC2)cc1C ZINC000997575075 1258046350 /nfs/dbraw/zinc/04/63/50/1258046350.db2.gz PRLOYAFRESCNAV-UHFFFAOYSA-N 1 0 343.427 2.634 20 10 EFCDRO CC[C@@H](OC)C(=O)N1CCC(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000997589742 1258072008 /nfs/dbraw/zinc/07/20/08/1258072008.db2.gz LPNAHWJRVBQNSI-GOSISDBHSA-N 1 0 348.487 2.757 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)C(C)(F)F)C2)cc1C ZINC000998362812 1259462524 /nfs/dbraw/zinc/46/25/24/1259462524.db2.gz OQQUSGIQDRKNEX-UHFFFAOYSA-N 1 0 326.387 2.738 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CCCO3)C2)cc1C ZINC000998496045 1259589965 /nfs/dbraw/zinc/58/99/65/1259589965.db2.gz CVPXJHQJHYHUIM-ABHNRTSZSA-N 1 0 346.471 2.652 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccc[nH]3)C2)cc1C ZINC000998522702 1259633744 /nfs/dbraw/zinc/63/37/44/1259633744.db2.gz VIHTZZWUDOGTOX-MRXNPFEDSA-N 1 0 327.428 2.726 20 10 EFCDRO CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001036599963 1259746915 /nfs/dbraw/zinc/74/69/15/1259746915.db2.gz RTBHDXKUHDAONL-DOMZBBRYSA-N 1 0 331.420 2.699 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C[C@@H]3CCCO3)C2)cc1C ZINC000998619999 1259757906 /nfs/dbraw/zinc/75/79/06/1259757906.db2.gz DMMKSKTVPGRYBF-ROUUACIJSA-N 1 0 346.471 2.653 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCCO3)C2)cc1C ZINC000998640435 1259783557 /nfs/dbraw/zinc/78/35/57/1259783557.db2.gz HYJAKWKKNUEOLS-TVPLGVNVSA-N 1 0 346.471 2.652 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)Cc3ccoc3)C2)cc1C ZINC000998993402 1260137677 /nfs/dbraw/zinc/13/76/77/1260137677.db2.gz XQCHRKYENPIXPX-GOSISDBHSA-N 1 0 342.439 2.920 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3cc[nH]c3)C2)cc1C ZINC000999239075 1260390584 /nfs/dbraw/zinc/39/05/84/1260390584.db2.gz OSRAVPRLZASOQW-QGZVFWFLSA-N 1 0 327.428 2.726 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3oncc3C)C2)cc1C ZINC000999636448 1260765434 /nfs/dbraw/zinc/76/54/34/1260765434.db2.gz CSGHVBJDESSGTP-UHFFFAOYSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3nocc3C)C2)cc1C ZINC000999658035 1260804723 /nfs/dbraw/zinc/80/47/23/1260804723.db2.gz QFRCLQZNWSEBMB-UHFFFAOYSA-N 1 0 343.427 2.693 20 10 EFCDRO CC1CCN(c2ccc(C[NH2+]Cc3cnc4n3CCOC4)cc2)CC1 ZINC000921714027 1261258740 /nfs/dbraw/zinc/25/87/40/1261258740.db2.gz CRYMDHFZKYBKCX-UHFFFAOYSA-N 1 0 340.471 2.939 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc3n2CCOC3)cc1F ZINC000921716917 1261267200 /nfs/dbraw/zinc/26/72/00/1261267200.db2.gz RIPPUNZDPPGYRR-UHFFFAOYSA-N 1 0 332.423 2.688 20 10 EFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(O)c(O)c2)N1CC1CCCC1 ZINC001272903033 1261293788 /nfs/dbraw/zinc/29/37/88/1261293788.db2.gz KEGJUZSJQRBWFG-IAGOWNOFSA-N 1 0 344.455 2.853 20 10 EFCDRO CC[C@H](C)N1CC[C@]2(CC[N@H+](Cc3ccc(N(C)C)cc3)C2)C1=O ZINC001272916980 1261329291 /nfs/dbraw/zinc/32/92/91/1261329291.db2.gz OCHOIMWNXVMCSM-JXFKEZNVSA-N 1 0 329.488 2.976 20 10 EFCDRO Cc1ccoc1C(=O)NCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921763926 1261371803 /nfs/dbraw/zinc/37/18/03/1261371803.db2.gz CUHKVJWVPJCACV-UHFFFAOYSA-N 1 0 328.412 2.823 20 10 EFCDRO CC[C@H](C)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001078341267 1261670101 /nfs/dbraw/zinc/67/01/01/1261670101.db2.gz BNEPMZTZZBSZBX-YJBOKZPZSA-N 1 0 348.487 2.757 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3CC3)C23CCC3)cc1C ZINC001078526513 1261895749 /nfs/dbraw/zinc/89/57/49/1261895749.db2.gz PNMYVROFBQPVER-ZWKOTPCHSA-N 1 0 328.456 2.931 20 10 EFCDRO Fc1cccnc1N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921832066 1262062419 /nfs/dbraw/zinc/06/24/19/1262062419.db2.gz FGLWMSAOHXDVPY-MRXNPFEDSA-N 1 0 327.403 2.914 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)SC)C[C@H]2C)cc1C ZINC001082432237 1263159840 /nfs/dbraw/zinc/15/98/40/1263159840.db2.gz HHPFJIDWGIOOCU-IIAWOOMASA-N 1 0 336.501 2.692 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)SC)C[C@H]2C)cc1C ZINC001082432238 1263159939 /nfs/dbraw/zinc/15/99/39/1263159939.db2.gz HHPFJIDWGIOOCU-IJEWVQPXSA-N 1 0 336.501 2.692 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC34CC4)C[C@H]2C)cc1C ZINC001082762440 1263323956 /nfs/dbraw/zinc/32/39/56/1263323956.db2.gz OHDNFAIDEKGSAF-HYVNUMGLSA-N 1 0 328.456 2.740 20 10 EFCDRO Cc1cc(C[N@@H+]2CCC[C@@]3(CCN(C)C3=O)CC2)ccc1N(C)C ZINC001273207000 1263356582 /nfs/dbraw/zinc/35/65/82/1263356582.db2.gz WHIZUUCQTBNECV-HXUWFJFHSA-N 1 0 329.488 2.895 20 10 EFCDRO OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921936081 1263569247 /nfs/dbraw/zinc/56/92/47/1263569247.db2.gz NGKHQZOQGMJYON-MOPGFXCFSA-N 1 0 327.424 2.586 20 10 EFCDRO O[C@H]1[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)CCC12CCOCC2 ZINC000922110614 1264414288 /nfs/dbraw/zinc/41/42/88/1264414288.db2.gz PTQVUYYNUOGCDR-HKUYNNGSSA-N 1 0 331.456 2.669 20 10 EFCDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc4c(c3)CCCO4)[C@H]2C1 ZINC000922134718 1264483277 /nfs/dbraw/zinc/48/32/77/1264483277.db2.gz ROGCAWGDNVQWRC-GBESFXJTSA-N 1 0 328.456 2.748 20 10 EFCDRO CC[C@H](C)N1CCC2(CC[NH+](Cc3ccc(O)cc3O)CC2)C1=O ZINC001272982417 1264667557 /nfs/dbraw/zinc/66/75/57/1264667557.db2.gz IOPHRFVDBUGOJM-AWEZNQCLSA-N 1 0 332.444 2.711 20 10 EFCDRO Oc1cc(Br)ccc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000824689653 1278247583 /nfs/dbraw/zinc/24/75/83/1278247583.db2.gz RDLNDKSBXNDGNX-UHFFFAOYSA-N 1 0 342.233 2.740 20 10 EFCDRO CN(C)C(=O)c1cccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000733324367 1265168188 /nfs/dbraw/zinc/16/81/88/1265168188.db2.gz SKQNBTFJRWBNJF-UHFFFAOYSA-N 1 0 329.419 2.883 20 10 EFCDRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000733326629 1265169204 /nfs/dbraw/zinc/16/92/04/1265169204.db2.gz PSKMIOJSQDAPAE-LBPRGKRZSA-N 1 0 345.830 2.513 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)cc1F ZINC000733325467 1265169459 /nfs/dbraw/zinc/16/94/59/1265169459.db2.gz NNXPWIJVAYIDIY-MRXNPFEDSA-N 1 0 334.410 2.972 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)cc1F ZINC000733325466 1265169475 /nfs/dbraw/zinc/16/94/75/1265169475.db2.gz NNXPWIJVAYIDIY-INIZCTEOSA-N 1 0 334.410 2.972 20 10 EFCDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cc(C)c1O ZINC000824702892 1278254913 /nfs/dbraw/zinc/25/49/13/1278254913.db2.gz SOGYZVAZWJQHSB-OLZOCXBDSA-N 1 0 342.233 2.894 20 10 EFCDRO O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000824714813 1278259543 /nfs/dbraw/zinc/25/95/43/1278259543.db2.gz HEQRUAJMRKBDTC-HSALFYBXSA-N 1 0 330.472 2.649 20 10 EFCDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000824709172 1278257393 /nfs/dbraw/zinc/25/73/93/1278257393.db2.gz OEQOQZCJIPZHRZ-FZMZJTMJSA-N 1 0 344.249 2.604 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]CC2(O)CCC3(CC2)OCCO3)cc1 ZINC000922624202 1266468640 /nfs/dbraw/zinc/46/86/40/1266468640.db2.gz WKWAHLRRZXJBML-UHFFFAOYSA-N 1 0 348.487 2.671 20 10 EFCDRO Cc1ncsc1CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824733100 1278268454 /nfs/dbraw/zinc/26/84/54/1278268454.db2.gz HOOSXTWUPPWDIA-UHFFFAOYSA-N 1 0 335.448 2.760 20 10 EFCDRO CC[C@H](C)N1C[C@@]2(CC[N@H+](Cc3c(C)ccc(C)c3O)C2)OCC1=O ZINC001273049056 1266786318 /nfs/dbraw/zinc/78/63/18/1266786318.db2.gz JRCKWHXNJHREBO-JXFKEZNVSA-N 1 0 346.471 2.611 20 10 EFCDRO Cc1cc(O)c(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1Cl ZINC000824761816 1278286831 /nfs/dbraw/zinc/28/68/31/1278286831.db2.gz KKKSCYOWEJDMDS-MRXNPFEDSA-N 1 0 337.895 2.566 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000734688867 1267065819 /nfs/dbraw/zinc/06/58/19/1267065819.db2.gz SRXHSDZKNZUTLQ-IBGZPJMESA-N 1 0 344.503 2.831 20 10 EFCDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000734667663 1267069130 /nfs/dbraw/zinc/06/91/30/1267069130.db2.gz KVHQUKISPUVXOS-MRXNPFEDSA-N 1 0 332.492 2.592 20 10 EFCDRO C[NH+](C)CCCCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000735516677 1267336733 /nfs/dbraw/zinc/33/67/33/1267336733.db2.gz WBCHVJQIHJMODQ-QGZVFWFLSA-N 1 0 334.460 2.632 20 10 EFCDRO Cc1cccc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1O ZINC000824832434 1278324787 /nfs/dbraw/zinc/32/47/87/1278324787.db2.gz YLIXHVDQECYZJJ-JSGCOSHPSA-N 1 0 342.361 2.543 20 10 EFCDRO Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1O ZINC000824832438 1278325615 /nfs/dbraw/zinc/32/56/15/1278325615.db2.gz YLIXHVDQECYZJJ-TZMCWYRMSA-N 1 0 342.361 2.543 20 10 EFCDRO COCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001004633259 1267424112 /nfs/dbraw/zinc/42/41/12/1267424112.db2.gz AQXXMLYYTJJIMG-WBVHZDCISA-N 1 0 334.460 2.509 20 10 EFCDRO COC(=O)CN(Cc1cc(Cl)c(C)cc1O)C1CCOCC1 ZINC000824894989 1278331155 /nfs/dbraw/zinc/33/11/55/1278331155.db2.gz NNOQBLXEZAWKEV-UHFFFAOYSA-N 1 0 327.808 2.508 20 10 EFCDRO CCc1ccc([C@@H](CNC(=O)c2cccc(O)c2O)[NH+](C)C)cc1 ZINC000186760146 1267683151 /nfs/dbraw/zinc/68/31/51/1267683151.db2.gz DSZQPOAIRXCTPE-MRXNPFEDSA-N 1 0 328.412 2.693 20 10 EFCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCO[C@H](c3ccncc3)C1)OCO2 ZINC000824954791 1278365812 /nfs/dbraw/zinc/36/58/12/1278365812.db2.gz SJDBTRRVAVAMRB-HOCLYGCPSA-N 1 0 328.368 2.526 20 10 EFCDRO COc1cccc(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1O ZINC000825112994 1278414224 /nfs/dbraw/zinc/41/42/24/1278414224.db2.gz XRNUASPSMNCABR-ZIAGYGMSSA-N 1 0 340.423 2.857 20 10 EFCDRO COc1cccc(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1O ZINC000825112989 1278414853 /nfs/dbraw/zinc/41/48/53/1278414853.db2.gz XRNUASPSMNCABR-KBPBESRZSA-N 1 0 340.423 2.857 20 10 EFCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000749198119 1268514678 /nfs/dbraw/zinc/51/46/78/1268514678.db2.gz BGIYGPAOGUDFAM-MRXNPFEDSA-N 1 0 332.492 2.544 20 10 EFCDRO COc1cccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)c1O ZINC000825118050 1278417203 /nfs/dbraw/zinc/41/72/03/1278417203.db2.gz OGVYDOAVMWANFE-HYVNUMGLSA-N 1 0 345.443 2.884 20 10 EFCDRO COc1cccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)c1O ZINC000825118048 1278417389 /nfs/dbraw/zinc/41/73/89/1278417389.db2.gz OGVYDOAVMWANFE-DJIMGWMZSA-N 1 0 345.443 2.884 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)c1 ZINC000825118799 1278417418 /nfs/dbraw/zinc/41/74/18/1278417418.db2.gz XLLLVFRXVKDMTQ-NJAFHUGGSA-N 1 0 345.443 2.884 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNCc3cnc(C4CC4)o3)cc2)CC1 ZINC000825175904 1278437811 /nfs/dbraw/zinc/43/78/11/1278437811.db2.gz RTYOOAHMIABQQZ-UHFFFAOYSA-N 1 0 326.444 2.594 20 10 EFCDRO CC(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)c(F)cc2[O-])C1=O ZINC001273378870 1269276605 /nfs/dbraw/zinc/27/66/05/1269276605.db2.gz QKIDDKVEMGAMBP-GOSISDBHSA-N 1 0 338.398 2.893 20 10 EFCDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000741090208 1269316274 /nfs/dbraw/zinc/31/62/74/1269316274.db2.gz DZRORSGZFMOTKS-GOSISDBHSA-N 1 0 342.487 2.735 20 10 EFCDRO COc1ccc(N2CCC(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000741139875 1269347565 /nfs/dbraw/zinc/34/75/65/1269347565.db2.gz HCDDIWAPZHYCGM-HOTGVXAUSA-N 1 0 345.487 2.653 20 10 EFCDRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c(C)n1-c1ccc(F)cc1 ZINC000825241039 1278481618 /nfs/dbraw/zinc/48/16/18/1278481618.db2.gz UDMVXVPIKHLLLA-KDOFPFPSSA-N 1 0 327.403 2.667 20 10 EFCDRO CC(C)=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994701 1269449917 /nfs/dbraw/zinc/44/99/17/1269449917.db2.gz RXMPWFOAPKUCNP-MRXNPFEDSA-N 1 0 343.431 2.962 20 10 EFCDRO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000825279118 1278490630 /nfs/dbraw/zinc/49/06/30/1278490630.db2.gz OHMQFRMUADOJBO-GOSISDBHSA-N 1 0 344.503 2.913 20 10 EFCDRO C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000700809400 1269548878 /nfs/dbraw/zinc/54/88/78/1269548878.db2.gz PIPIOACPGNTFHZ-GFCCVEGCSA-N 1 0 327.266 2.976 20 10 EFCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(Br)cc2O)o1 ZINC000825303896 1278498764 /nfs/dbraw/zinc/49/87/64/1278498764.db2.gz NHIIIGHHZVCQPW-ZDUSSCGKSA-N 1 0 326.190 2.879 20 10 EFCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1 ZINC000741754776 1269690050 /nfs/dbraw/zinc/69/00/50/1269690050.db2.gz XHTGAGVULNIQGL-GOSISDBHSA-N 1 0 329.488 2.881 20 10 EFCDRO OC[C@H](C[NH2+]Cc1ccc(Br)cc1O)Cc1ccco1 ZINC000825346701 1278513556 /nfs/dbraw/zinc/51/35/56/1278513556.db2.gz FDMLUCGRAKYYIO-NSHDSACASA-N 1 0 340.217 2.689 20 10 EFCDRO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033698883 1269906227 /nfs/dbraw/zinc/90/62/27/1269906227.db2.gz FBNBRDKYINIBJR-INIZCTEOSA-N 1 0 343.431 2.795 20 10 EFCDRO Cc1ccoc1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000742367504 1270007701 /nfs/dbraw/zinc/00/77/01/1270007701.db2.gz ALWSEQWFLZMEHJ-INIZCTEOSA-N 1 0 327.428 2.580 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)cc1 ZINC000742391834 1270019052 /nfs/dbraw/zinc/01/90/52/1270019052.db2.gz MNLVZLCSHQKIRY-HLAWJBBLSA-N 1 0 349.478 2.999 20 10 EFCDRO CC1CCC([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000742370895 1270025373 /nfs/dbraw/zinc/02/53/73/1270025373.db2.gz UGUVDMLOEMRDSL-UHFFFAOYSA-N 1 0 336.501 2.590 20 10 EFCDRO Oc1cc2c(cc1C[NH2+]C1(c3ccccc3)CCOCC1)OCO2 ZINC000742372539 1270027854 /nfs/dbraw/zinc/02/78/54/1270027854.db2.gz CQRDNBAAUPXZLC-UHFFFAOYSA-N 1 0 327.380 2.916 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c1O ZINC000742374650 1270029663 /nfs/dbraw/zinc/02/96/63/1270029663.db2.gz BGFDXHIVGDKBCV-MFKMUULPSA-N 1 0 343.265 2.736 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000825406122 1278539496 /nfs/dbraw/zinc/53/94/96/1278539496.db2.gz OIXUOHYNMOCNPZ-ZFWWWQNUSA-N 1 0 342.233 2.582 20 10 EFCDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000825422695 1278548041 /nfs/dbraw/zinc/54/80/41/1278548041.db2.gz QXKHQYGGNWIDHZ-VHSXEESVSA-N 1 0 329.238 2.548 20 10 EFCDRO CN1C(=O)C[C@@]2(CCC[N@H+](Cc3cccc(C(C)(C)C)c3O)C2)C1=O ZINC001273410581 1270495849 /nfs/dbraw/zinc/49/58/49/1270495849.db2.gz RJXXFDWKVFFLGB-HXUWFJFHSA-N 1 0 344.455 2.661 20 10 EFCDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000743375363 1270568351 /nfs/dbraw/zinc/56/83/51/1270568351.db2.gz GUKHECCEQLDNCW-KRWDZBQOSA-N 1 0 340.423 2.827 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3nccs3)C2)cc1C ZINC001086232178 1270595226 /nfs/dbraw/zinc/59/52/26/1270595226.db2.gz VXWRAPXAXFDYGE-GASCZTMLSA-N 1 0 345.468 2.758 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3oncc3C)C2)cc1C ZINC001086244522 1270658801 /nfs/dbraw/zinc/65/88/01/1270658801.db2.gz QRROMPSJBTZFGB-IYBDPMFKSA-N 1 0 343.427 2.598 20 10 EFCDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000825521949 1278581871 /nfs/dbraw/zinc/58/18/71/1278581871.db2.gz HFCXBYOCJRELRE-JSGCOSHPSA-N 1 0 344.386 2.802 20 10 EFCDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000825521955 1278582409 /nfs/dbraw/zinc/58/24/09/1278582409.db2.gz HFCXBYOCJRELRE-TZMCWYRMSA-N 1 0 344.386 2.802 20 10 EFCDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000825521952 1278582671 /nfs/dbraw/zinc/58/26/71/1278582671.db2.gz HFCXBYOCJRELRE-OCCSQVGLSA-N 1 0 344.386 2.802 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3ccncc3)C2)cc1C ZINC001086293133 1270850557 /nfs/dbraw/zinc/85/05/57/1270850557.db2.gz MZHVFNGJFSUIEJ-SAABIXHNSA-N 1 0 339.439 2.697 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]C[C@H](OC)C(C)C)c1O ZINC000744449222 1271050890 /nfs/dbraw/zinc/05/08/90/1271050890.db2.gz SWWZHKHQPYGZHA-ZDUSSCGKSA-N 1 0 332.238 2.924 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CCCCO3)C2)cc1C ZINC001086343825 1271076157 /nfs/dbraw/zinc/07/61/57/1271076157.db2.gz PPPVYGQSLVZZQY-ZHALLVOQSA-N 1 0 346.471 2.557 20 10 EFCDRO COc1cc(O)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000792183030 1278625949 /nfs/dbraw/zinc/62/59/49/1278625949.db2.gz MIXWWHJSAKSRKB-UHFFFAOYSA-N 1 0 332.356 2.916 20 10 EFCDRO CC[N@H+](Cc1cc(Br)ccc1O)C[C@](C)(O)C(F)F ZINC000886027972 1271442172 /nfs/dbraw/zinc/44/21/72/1271442172.db2.gz KSJSDFZTOFPPHY-ZDUSSCGKSA-N 1 0 338.192 2.993 20 10 EFCDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC000745578842 1271521147 /nfs/dbraw/zinc/52/11/47/1271521147.db2.gz XFFSPBHTJNNBTK-RDJZCZTQSA-N 1 0 330.476 2.569 20 10 EFCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000792200044 1278639083 /nfs/dbraw/zinc/63/90/83/1278639083.db2.gz GTBXDRYDFXPRQN-SKDRFNHKSA-N 1 0 328.206 2.586 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000745821877 1271646253 /nfs/dbraw/zinc/64/62/53/1271646253.db2.gz BXZXVVQGQHEJMJ-QGZVFWFLSA-N 1 0 344.503 2.909 20 10 EFCDRO CCC[N@@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)CC(C)C ZINC000746145108 1271825709 /nfs/dbraw/zinc/82/57/09/1271825709.db2.gz JIQBAOHMBNZHCD-UHFFFAOYSA-N 1 0 347.503 2.712 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC000746205794 1271884461 /nfs/dbraw/zinc/88/44/61/1271884461.db2.gz PXDWXPAIWZVRCF-UHFFFAOYSA-N 1 0 332.492 2.768 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3oncc3C)C2)cc1C ZINC001086524421 1272248608 /nfs/dbraw/zinc/24/86/08/1272248608.db2.gz QRROMPSJBTZFGB-WKILWMFISA-N 1 0 343.427 2.598 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCC[N@H+](CC3CC3)C2)cc1 ZINC001034546313 1272263445 /nfs/dbraw/zinc/26/34/45/1272263445.db2.gz AFBQUMHGSFWSQC-MRXNPFEDSA-N 1 0 343.431 2.843 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)c3cocn3)CC2)cc1C ZINC001034610277 1272370350 /nfs/dbraw/zinc/37/03/50/1272370350.db2.gz LKDAJAPCZSIRRV-WKILWMFISA-N 1 0 343.427 2.822 20 10 EFCDRO COc1ccc(CN2CC[C@H]([NH2+]Cc3ccccc3O)CC2=O)cc1 ZINC001168894644 1272465086 /nfs/dbraw/zinc/46/50/86/1272465086.db2.gz XGFPQMIGWWQLNY-KRWDZBQOSA-N 1 0 340.423 2.682 20 10 EFCDRO CCOc1ccc(N2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169047036 1272625109 /nfs/dbraw/zinc/62/51/09/1272625109.db2.gz QBXJYTIMAGBQCM-WBVHZDCISA-N 1 0 333.432 2.653 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2nc(C)oc2C)cc1C ZINC001169082704 1272658272 /nfs/dbraw/zinc/65/82/72/1272658272.db2.gz PETUDIJKYIFESX-UHFFFAOYSA-N 1 0 331.416 2.518 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCC2(C1)OCCO2 ZINC001169948682 1273271816 /nfs/dbraw/zinc/27/18/16/1273271816.db2.gz JZSULPVYFNEOHH-LJQANCHMSA-N 1 0 346.471 2.641 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C2CC(OC)C2)cc1C ZINC001034966995 1273322029 /nfs/dbraw/zinc/32/20/29/1273322029.db2.gz XIVNURJKXZBDAJ-LXPRWKDFSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3ccccn3)C2)cc1C ZINC001090898674 1278788848 /nfs/dbraw/zinc/78/88/48/1278788848.db2.gz XIZKTDDBNCAVMT-UHFFFAOYSA-N 1 0 339.439 2.697 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CNc2cccc(Cl)c2)cc1 ZINC000844162658 1278791771 /nfs/dbraw/zinc/79/17/71/1278791771.db2.gz LHUTYZOFPCSUES-KRWDZBQOSA-N 1 0 346.862 2.634 20 10 EFCDRO CN(Cc1nc(C(C)(C)[NH3+])no1)Cc1ccc(N2CCCCC2)cc1 ZINC000844220236 1278796474 /nfs/dbraw/zinc/79/64/74/1278796474.db2.gz BOLDRVOXWHWGAL-UHFFFAOYSA-N 1 0 343.475 2.886 20 10 EFCDRO Cc1cc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000844200889 1278805934 /nfs/dbraw/zinc/80/59/34/1278805934.db2.gz HLAVRMQUQFCZJS-CPUCHLNUSA-N 1 0 340.471 2.935 20 10 EFCDRO COc1cccc(CN(CC[NH+](C)C)C(=O)C2=CC(=O)CS2)c1 ZINC000792510871 1278834618 /nfs/dbraw/zinc/83/46/18/1278834618.db2.gz BGUYJBLTWIFSSP-UHFFFAOYSA-N 1 0 334.441 2.666 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc[nH]c3)C[C@H]2C)cc1C ZINC001036044032 1274959484 /nfs/dbraw/zinc/95/94/84/1274959484.db2.gz AYGMBXULCMRHEU-CRAIPNDOSA-N 1 0 341.455 2.972 20 10 EFCDRO Oc1cccc(Br)c1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000706852025 1275051240 /nfs/dbraw/zinc/05/12/40/1275051240.db2.gz JJYJSYJSCHBNOF-LBPRGKRZSA-N 1 0 344.249 2.830 20 10 EFCDRO CC[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(OC)cc3OC)CC2)CCO1 ZINC001170237846 1278923115 /nfs/dbraw/zinc/92/31/15/1278923115.db2.gz JQODZTFDEGALFM-JKSUJKDBSA-N 1 0 334.460 2.783 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cnco3)C[C@H]2C)cc1C ZINC001036127089 1275133613 /nfs/dbraw/zinc/13/36/13/1275133613.db2.gz RVPKPBOWTOHRBX-ZBFHGGJFSA-N 1 0 343.427 2.632 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)CC2(C(F)(F)F)CC2)cc1C ZINC001129229881 1275156691 /nfs/dbraw/zinc/15/66/91/1275156691.db2.gz HLECZDLLHPNIHL-UHFFFAOYSA-N 1 0 344.377 2.942 20 10 EFCDRO CC(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001036309992 1275396664 /nfs/dbraw/zinc/39/66/64/1275396664.db2.gz VMRCXWVJBLYZDM-BBRMVZONSA-N 1 0 345.447 2.945 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H](O)c2cccc(F)c2)cc1 ZINC000844399620 1278948263 /nfs/dbraw/zinc/94/82/63/1278948263.db2.gz LWDNFOZGXMONSR-LJQANCHMSA-N 1 0 332.419 2.936 20 10 EFCDRO CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399509 1278949430 /nfs/dbraw/zinc/94/94/30/1278949430.db2.gz KWCRSXWAPDNNEQ-OAHLLOKOSA-N 1 0 335.492 2.757 20 10 EFCDRO CC(C)[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001036308604 1275430372 /nfs/dbraw/zinc/43/03/72/1275430372.db2.gz SMFAWBLQKRVYNV-SWLSCSKDSA-N 1 0 331.420 2.698 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccnc(N(C)C)c2)cc1 ZINC000844401737 1278951354 /nfs/dbraw/zinc/95/13/54/1278951354.db2.gz PETVSEAXNYGZHF-UHFFFAOYSA-N 1 0 328.460 2.724 20 10 EFCDRO CCOc1cccc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1O ZINC000786826563 1275533627 /nfs/dbraw/zinc/53/36/27/1275533627.db2.gz HPHRXTOIXQBNSW-UHFFFAOYSA-N 1 0 341.454 2.546 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(N3CCOCC3)s2)c1 ZINC000787014162 1275608596 /nfs/dbraw/zinc/60/85/96/1275608596.db2.gz MBOPPLYYILWMHP-GFCCVEGCSA-N 1 0 349.456 2.545 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000787292182 1275736789 /nfs/dbraw/zinc/73/67/89/1275736789.db2.gz YAMBAIWVQKNVQS-ZDUSSCGKSA-N 1 0 332.375 2.978 20 10 EFCDRO COC(=O)[C@](C)(C[NH2+]Cc1c(O)cccc1OC)c1ccccc1 ZINC000787423432 1275771613 /nfs/dbraw/zinc/77/16/13/1275771613.db2.gz MUEQLLZKSQQGJG-LJQANCHMSA-N 1 0 329.396 2.621 20 10 EFCDRO CC[N@H+](Cc1cc(C(=O)OC)n(C)c1)Cc1ccc(N(C)C)cc1 ZINC000787769798 1275903496 /nfs/dbraw/zinc/90/34/96/1275903496.db2.gz JDAWJOCGNTVLFX-UHFFFAOYSA-N 1 0 329.444 2.900 20 10 EFCDRO C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000817888162 1276347148 /nfs/dbraw/zinc/34/71/48/1276347148.db2.gz JDYCIMBZOOKJDQ-ATNYBXOESA-N 1 0 335.467 2.669 20 10 EFCDRO [NH3+][C@H]1CCCCC[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817894171 1276362802 /nfs/dbraw/zinc/36/28/02/1276362802.db2.gz KJXOIWNIAXOSFU-ROUUACIJSA-N 1 0 335.467 2.536 20 10 EFCDRO C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000817899346 1276366700 /nfs/dbraw/zinc/36/67/00/1276366700.db2.gz LGTFGNCGIQXQDH-VBQJREDUSA-N 1 0 339.430 2.987 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc2c(c1)OCCO2 ZINC000817938261 1276386253 /nfs/dbraw/zinc/38/62/53/1276386253.db2.gz HOBYRRNONOXFCQ-KDOFPFPSSA-N 1 0 341.455 2.874 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc2c(c1)OCO2 ZINC000817939140 1276386318 /nfs/dbraw/zinc/38/63/18/1276386318.db2.gz ZNJDKUFQNFOZCL-CXAGYDPISA-N 1 0 327.428 2.832 20 10 EFCDRO C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc(Br)cc(F)c1[O-] ZINC000817941803 1276386875 /nfs/dbraw/zinc/38/68/75/1276386875.db2.gz RWMAZMVVKAVVAS-VIFPVBQESA-N 1 0 331.229 2.944 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817941551 1276386912 /nfs/dbraw/zinc/38/69/12/1276386912.db2.gz KNALQTXBPLNLEI-FZKQIMNGSA-N 1 0 329.444 2.817 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CN[C@H](c2nc[nH]n2)C2CCCCC2)cc1 ZINC000817941503 1276387298 /nfs/dbraw/zinc/38/72/98/1276387298.db2.gz KDDMPIDHTLKEAO-ROUUACIJSA-N 1 0 342.491 2.782 20 10 EFCDRO CC[NH2+]CCCN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817943644 1276389717 /nfs/dbraw/zinc/38/97/17/1276389717.db2.gz QIYJYFRPWKNHSA-AWEZNQCLSA-N 1 0 325.884 2.827 20 10 EFCDRO C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1ccc(N2CCOCC2)cc1Cl ZINC000817949117 1276395755 /nfs/dbraw/zinc/39/57/55/1276395755.db2.gz HYNMRVIAYRPYRJ-CABCVRRESA-N 1 0 337.895 2.969 20 10 EFCDRO C[C@H](NC[C@@H]1CCCC[NH2+]1)c1ccc(N2CCOCC2)cc1Cl ZINC000817949119 1276395768 /nfs/dbraw/zinc/39/57/68/1276395768.db2.gz HYNMRVIAYRPYRJ-GJZGRUSLSA-N 1 0 337.895 2.969 20 10 EFCDRO Cc1ccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)cn2)c(O)c1C ZINC000817951132 1276395928 /nfs/dbraw/zinc/39/59/28/1276395928.db2.gz BWNIIQMYGFDHAF-HNNXBMFYSA-N 1 0 326.444 2.987 20 10 EFCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000817956107 1276396928 /nfs/dbraw/zinc/39/69/28/1276396928.db2.gz QVZVLJYCSBQAQY-LAUBAEHRSA-N 1 0 339.483 2.863 20 10 EFCDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(N)cc1 ZINC000817956083 1276397073 /nfs/dbraw/zinc/39/70/73/1276397073.db2.gz QGVVHVZUHVENPF-ZDUSSCGKSA-N 1 0 342.399 2.726 20 10 EFCDRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCc1ccc(N)cc1 ZINC000817956121 1276397523 /nfs/dbraw/zinc/39/75/23/1276397523.db2.gz RCIVTNPJXUTIKW-LBPRGKRZSA-N 1 0 332.835 2.867 20 10 EFCDRO COc1ccc([C@H](NCCc2ccc(N)cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000817956917 1276397971 /nfs/dbraw/zinc/39/79/71/1276397971.db2.gz FYBKHILBZIVNHQ-UXHICEINSA-N 1 0 325.456 2.903 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCN(C(C)(C)C)C3=O)CC2)cc1 ZINC000818111712 1276465327 /nfs/dbraw/zinc/46/53/27/1276465327.db2.gz BNOQYNAYQNVMHI-SFHVURJKSA-N 1 0 345.487 2.653 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnc4ccccn34)C2)cc1 ZINC000818219471 1276492831 /nfs/dbraw/zinc/49/28/31/1276492831.db2.gz GYLGWSGQOPLKNN-MRXNPFEDSA-N 1 0 336.439 2.959 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3c(Cl)cnn3C)C2)cc1 ZINC000818222858 1276492848 /nfs/dbraw/zinc/49/28/48/1276492848.db2.gz XHZHSCZTRMEEPD-CYBMUJFWSA-N 1 0 334.851 2.698 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnn(C)c3Cl)C2)cc1 ZINC000818222450 1276493137 /nfs/dbraw/zinc/49/31/37/1276493137.db2.gz TWENJDAQEDUPBA-ZDUSSCGKSA-N 1 0 334.851 2.698 20 10 EFCDRO CCC(=O)N1CCC([NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000818219782 1276493166 /nfs/dbraw/zinc/49/31/66/1276493166.db2.gz DHCMWHQFXCLHPQ-MRXNPFEDSA-N 1 0 345.487 2.512 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cccc(OC)n3)C2)cc1 ZINC000818220188 1276493779 /nfs/dbraw/zinc/49/37/79/1276493779.db2.gz GHJVRBPGWHAHKV-OAHLLOKOSA-N 1 0 327.428 2.715 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CCN(C4CC4)CC3)C2)cc1 ZINC000818342249 1276510396 /nfs/dbraw/zinc/51/03/96/1276510396.db2.gz NQEPNEPQXDFRCB-INIZCTEOSA-N 1 0 329.488 2.738 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cc(C)n(C)n3)C2)cc1 ZINC000818342935 1276511824 /nfs/dbraw/zinc/51/18/24/1276511824.db2.gz WUOYFOXXFAZADX-HZPDHXFCSA-N 1 0 328.460 2.914 20 10 EFCDRO CCN(CC)c1ccc(CN(C)C(=O)NCC2([NH+](C)C)CC2)cc1 ZINC000923012046 1276523511 /nfs/dbraw/zinc/52/35/11/1276523511.db2.gz ASPAVBLICXRXGJ-UHFFFAOYSA-N 1 0 332.492 2.768 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2Cl)cc1 ZINC000818941664 1276553562 /nfs/dbraw/zinc/55/35/62/1276553562.db2.gz NKPHRUCFFMYINU-INIZCTEOSA-N 1 0 334.847 2.936 20 10 EFCDRO CCOc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000818941504 1276553607 /nfs/dbraw/zinc/55/36/07/1276553607.db2.gz KWOSMURWWRWANM-SFHVURJKSA-N 1 0 344.455 2.681 20 10 EFCDRO Cc1cc(C)cc(OC[C@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000818996337 1276566817 /nfs/dbraw/zinc/56/68/17/1276566817.db2.gz DYQTYECDZVBPBY-GOSISDBHSA-N 1 0 327.424 2.768 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)COc1ccc(Cl)cc1 ZINC000818996116 1276566930 /nfs/dbraw/zinc/56/69/30/1276566930.db2.gz BOJKIGFBYLTYON-INIZCTEOSA-N 1 0 333.815 2.804 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)COc1ccc(F)cc1 ZINC000819094988 1276603694 /nfs/dbraw/zinc/60/36/94/1276603694.db2.gz QKHMOAYNPPUYSV-IBGZPJMESA-N 1 0 342.414 2.731 20 10 EFCDRO O[C@H](C[NH2+]CCCSc1nccs1)Cc1ccc(F)cc1 ZINC000819062062 1276613268 /nfs/dbraw/zinc/61/32/68/1276613268.db2.gz AOAKJZPGLLKECW-AWEZNQCLSA-N 1 0 326.462 2.958 20 10 EFCDRO CC(C)CC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819121409 1276638788 /nfs/dbraw/zinc/63/87/88/1276638788.db2.gz JCOSEVTYTOXSKE-QGZVFWFLSA-N 1 0 338.467 2.674 20 10 EFCDRO CSC[C@@H](O)C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819119702 1276638820 /nfs/dbraw/zinc/63/88/20/1276638820.db2.gz CIPCIUJNBNAPMX-JSGCOSHPSA-N 1 0 346.443 2.570 20 10 EFCDRO CC(C)[NH+](CCCN1C(=O)CN(Cc2ccccc2O)C1=O)C(C)C ZINC000819167552 1276651460 /nfs/dbraw/zinc/65/14/60/1276651460.db2.gz DMZCHSOZQIBIRD-UHFFFAOYSA-N 1 0 347.459 2.665 20 10 EFCDRO CC(C)CC[C@@H](O)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000819360038 1276741675 /nfs/dbraw/zinc/74/16/75/1276741675.db2.gz YVTGALLKQFNIJM-OAHLLOKOSA-N 1 0 342.430 2.688 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)c3ccccc3F)C2)cc1 ZINC000819379753 1276763129 /nfs/dbraw/zinc/76/31/29/1276763129.db2.gz KXAGQAQQJBCRLE-YWZLYKJASA-N 1 0 344.430 2.984 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)Cc3ccccc3)C2)cc1 ZINC000819379990 1276763282 /nfs/dbraw/zinc/76/32/82/1276763282.db2.gz LXNJGPSQFQWLGB-QUCCMNQESA-N 1 0 340.467 2.715 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)c3cccc(F)c3)C2)cc1 ZINC000819381213 1276764005 /nfs/dbraw/zinc/76/40/05/1276764005.db2.gz VWZAEUSIWDURFV-FOIQADDNSA-N 1 0 344.430 2.984 20 10 EFCDRO Oc1cc2c(cc1C[NH+]1CCC(CC(F)(F)F)CC1)[C@@H](O)CO2 ZINC000789526234 1276783393 /nfs/dbraw/zinc/78/33/93/1276783393.db2.gz ACXZISVTGHQOFG-AWEZNQCLSA-N 1 0 331.334 2.982 20 10 EFCDRO CCCCC[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OC ZINC000789576938 1276825647 /nfs/dbraw/zinc/82/56/47/1276825647.db2.gz TUCBAXJKPTZHNK-LJQANCHMSA-N 1 0 347.503 2.650 20 10 EFCDRO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819582453 1276825921 /nfs/dbraw/zinc/82/59/21/1276825921.db2.gz MBWONVLVSRHRSS-APWZRJJASA-N 1 0 345.487 2.512 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@]2(C)CO)c1O ZINC000789557830 1276843297 /nfs/dbraw/zinc/84/32/97/1276843297.db2.gz OPRKCVUHPCYQHL-CQSZACIVSA-N 1 0 330.222 2.510 20 10 EFCDRO Cc1cc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c(C)n1-c1ccccn1 ZINC000819717809 1276893061 /nfs/dbraw/zinc/89/30/61/1276893061.db2.gz MTEFCYSATOMACY-FUHWJXTLSA-N 1 0 338.455 2.655 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@H]1C1CCOCC1)[C@@H](O)CO2 ZINC000819902065 1276940965 /nfs/dbraw/zinc/94/09/65/1276940965.db2.gz MQLRRISYBNGKQA-PKOBYXMFSA-N 1 0 345.439 2.599 20 10 EFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C)N(C)C[C@H]3C)cc2)CC1 ZINC000828597543 1287253229 /nfs/dbraw/zinc/25/32/29/1287253229.db2.gz HRZJJRJARUNEDJ-DLBZAZTESA-N 1 0 331.504 2.826 20 10 EFCDRO COc1cc(Cl)cc(C[N@H+](C)CCN2CCOC(C)(C)C2)c1O ZINC000789764037 1276971610 /nfs/dbraw/zinc/97/16/10/1276971610.db2.gz CKKWKVMZIGQLCY-UHFFFAOYSA-N 1 0 342.867 2.597 20 10 EFCDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1c(F)ccc(O)c1O ZINC000789956845 1277121261 /nfs/dbraw/zinc/12/12/61/1277121261.db2.gz IJZXEOCDCYQLEZ-AWEZNQCLSA-N 1 0 344.386 2.631 20 10 EFCDRO Cc1cc(C[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)ccc1N(C)C ZINC000815048849 1287268189 /nfs/dbraw/zinc/26/81/89/1287268189.db2.gz RSTSUAQQOYCKJJ-HNNXBMFYSA-N 1 0 343.393 2.656 20 10 EFCDRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001170416109 1279098196 /nfs/dbraw/zinc/09/81/96/1279098196.db2.gz ALNKATPNNUWIKE-CQSZACIVSA-N 1 0 343.379 2.620 20 10 EFCDRO C[NH+](C)CC1(C(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000820871519 1277339944 /nfs/dbraw/zinc/33/99/44/1277339944.db2.gz GMPSCFDZOMVAJC-UHFFFAOYSA-N 1 0 328.412 2.856 20 10 EFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)c1O ZINC000821336858 1277521910 /nfs/dbraw/zinc/52/19/10/1277521910.db2.gz MLVYPVZOHVAQOU-GOSISDBHSA-N 1 0 346.402 2.978 20 10 EFCDRO O=C(c1cccc(O)c1O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000790538510 1277612332 /nfs/dbraw/zinc/61/23/32/1277612332.db2.gz IRZLUDAKJIWCNH-UHFFFAOYSA-N 1 0 332.444 2.826 20 10 EFCDRO Cc1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)ccc1N(C)C ZINC000815080485 1287303144 /nfs/dbraw/zinc/30/31/44/1287303144.db2.gz CFUJLQSMOAVJKA-UYAOXDASSA-N 1 0 342.487 2.883 20 10 EFCDRO Cc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)ccc1N(C)C ZINC000815080484 1287303732 /nfs/dbraw/zinc/30/37/32/1287303732.db2.gz CFUJLQSMOAVJKA-QUCCMNQESA-N 1 0 342.487 2.883 20 10 EFCDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000790934280 1277853370 /nfs/dbraw/zinc/85/33/70/1277853370.db2.gz JRDRAWFREORANH-RDJZCZTQSA-N 1 0 336.451 2.788 20 10 EFCDRO CCN(C)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000790954437 1277875536 /nfs/dbraw/zinc/87/55/36/1277875536.db2.gz ROGMESSBPNKPBV-UHFFFAOYSA-N 1 0 340.471 2.664 20 10 EFCDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(N(C)C)c(C)c3)[C@H]2C1 ZINC000815119655 1287314016 /nfs/dbraw/zinc/31/40/16/1287314016.db2.gz CHOXQAFQSGUUQD-GBESFXJTSA-N 1 0 329.488 2.798 20 10 EFCDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844521995 1279052916 /nfs/dbraw/zinc/05/29/16/1279052916.db2.gz JZLYZPLACHPYIP-GFCCVEGCSA-N 1 0 325.840 2.575 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3cc[nH]c3C)C2)cc1C ZINC001090978100 1279110056 /nfs/dbraw/zinc/11/00/56/1279110056.db2.gz FLHYMGPQOJIHSQ-UHFFFAOYSA-N 1 0 341.455 2.938 20 10 EFCDRO COc1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(C)C)cc(OC)n1 ZINC001134870878 1287325831 /nfs/dbraw/zinc/32/58/31/1287325831.db2.gz BHSLFSRKMUKZQC-KGLIPLIRSA-N 1 0 337.464 2.631 20 10 EFCDRO CC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001134872396 1287327272 /nfs/dbraw/zinc/32/72/72/1287327272.db2.gz KGYVXIYJECKVJW-XAQJJABOSA-N 1 0 349.475 2.942 20 10 EFCDRO COc1ccc(CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(O)c1 ZINC000792791038 1279154136 /nfs/dbraw/zinc/15/41/36/1279154136.db2.gz XUCYUQJINUGUKF-AWEZNQCLSA-N 1 0 349.456 2.564 20 10 EFCDRO CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001134873421 1287329090 /nfs/dbraw/zinc/32/90/90/1287329090.db2.gz XEUSDDJYKOTSKF-KBPBESRZSA-N 1 0 337.464 2.776 20 10 EFCDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815108541 1287329839 /nfs/dbraw/zinc/32/98/39/1287329839.db2.gz ZOJTZNCXAYIHNN-HXUWFJFHSA-N 1 0 348.487 2.853 20 10 EFCDRO CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001134873423 1287329930 /nfs/dbraw/zinc/32/99/30/1287329930.db2.gz XEUSDDJYKOTSKF-UONOGXRCSA-N 1 0 337.464 2.776 20 10 EFCDRO COc1ccc(CNC(=O)NCCCC[NH+]2CCC(C)CC2)c(O)c1 ZINC000792831824 1279191511 /nfs/dbraw/zinc/19/15/11/1279191511.db2.gz SCWVBATYJKZLGF-UHFFFAOYSA-N 1 0 349.475 2.712 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]C[C@]2(O)CCC[C@H]2C)c1O ZINC000815158786 1287334423 /nfs/dbraw/zinc/33/44/23/1287334423.db2.gz AFYMNHSKWOVBJZ-MEBBXXQBSA-N 1 0 344.249 2.804 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c1O ZINC000815158787 1287334617 /nfs/dbraw/zinc/33/46/17/1287334617.db2.gz AFYMNHSKWOVBJZ-ZUZCIYMTSA-N 1 0 344.249 2.804 20 10 EFCDRO COc1ccc(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c(O)c1 ZINC000792896210 1279248264 /nfs/dbraw/zinc/24/82/64/1279248264.db2.gz AUVQDVYIVVWAIR-LIRRHRJNSA-N 1 0 349.475 2.711 20 10 EFCDRO CC1CC[NH+](CCCNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000844864030 1279297919 /nfs/dbraw/zinc/29/79/19/1279297919.db2.gz HGHLKKJCJRXGTI-UHFFFAOYSA-N 1 0 339.867 2.967 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CCOC[C@H]2CCOC2)c(C(F)(F)F)c1 ZINC000792957494 1279304777 /nfs/dbraw/zinc/30/47/77/1279304777.db2.gz WTEWONQXBRFQEO-ZDUSSCGKSA-N 1 0 346.393 2.914 20 10 EFCDRO CN(CC[NH+]1CCCCC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000844887745 1279316508 /nfs/dbraw/zinc/31/65/08/1279316508.db2.gz LPTBXYKWAASAOI-UHFFFAOYSA-N 1 0 344.503 2.914 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H]1CN(C)CCO1 ZINC000793015104 1279327441 /nfs/dbraw/zinc/32/74/41/1279327441.db2.gz CYCCHTGCZFITCS-MLGOLLRUSA-N 1 0 345.409 2.580 20 10 EFCDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1cc(Cl)ccc1O ZINC000844880255 1279333213 /nfs/dbraw/zinc/33/32/13/1279333213.db2.gz PZUTTXWTFSNJHO-LBPRGKRZSA-N 1 0 325.840 2.719 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CCN2CCSCC2)c(C(F)(F)F)c1 ZINC000793045896 1279339695 /nfs/dbraw/zinc/33/96/95/1279339695.db2.gz XGYLOKRSGBQBEI-UHFFFAOYSA-N 1 0 347.450 2.910 20 10 EFCDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793029579 1279349767 /nfs/dbraw/zinc/34/97/67/1279349767.db2.gz XBYIRQXCDWCROO-ZFWWWQNUSA-N 1 0 343.393 2.776 20 10 EFCDRO C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)C(C)(C)C[NH+](C)C ZINC000845029737 1279405037 /nfs/dbraw/zinc/40/50/37/1279405037.db2.gz ORCIGTOVSXSBDZ-LLVKDONJSA-N 1 0 327.856 2.821 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)CC(F)F)c(C(F)(F)F)c1 ZINC000793186348 1279431644 /nfs/dbraw/zinc/43/16/44/1279431644.db2.gz MFOXTFJKWSVPKM-SNVBAGLBSA-N 1 0 326.309 2.877 20 10 EFCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)NC(=O)OC(C)(C)C ZINC000793223190 1279450871 /nfs/dbraw/zinc/45/08/71/1279450871.db2.gz IJHZQZUQIZQLGP-GFCCVEGCSA-N 1 0 325.428 2.895 20 10 EFCDRO Cc1cccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c1O ZINC000793266562 1279487335 /nfs/dbraw/zinc/48/73/35/1279487335.db2.gz ORFVUDZPWWDYES-CQSZACIVSA-N 1 0 349.228 2.779 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3ccsn3)C2)cc1C ZINC001091090327 1279614476 /nfs/dbraw/zinc/61/44/76/1279614476.db2.gz JPOKHZMBSKQABR-UHFFFAOYSA-N 1 0 345.468 2.758 20 10 EFCDRO COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(OC)cc1O ZINC000793388074 1279614641 /nfs/dbraw/zinc/61/46/41/1279614641.db2.gz KQTZUMSALQXSFE-UHFFFAOYSA-N 1 0 333.384 2.682 20 10 EFCDRO COc1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c(O)c1 ZINC000793386551 1279614886 /nfs/dbraw/zinc/61/48/86/1279614886.db2.gz WGPKMWUKQUQQOR-UHFFFAOYSA-N 1 0 348.355 2.616 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCC3(C)C)CC2)cc1 ZINC000793519979 1279714127 /nfs/dbraw/zinc/71/41/27/1279714127.db2.gz SDUJWHWHNZGYEY-IBGZPJMESA-N 1 0 331.504 2.986 20 10 EFCDRO C[N@H+](Cc1c(O)cc(O)cc1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001144499157 1279739997 /nfs/dbraw/zinc/73/99/97/1279739997.db2.gz CPJXHUWIFMHHPF-OAHLLOKOSA-N 1 0 328.412 2.510 20 10 EFCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)nc(C)n1 ZINC000793565714 1279751701 /nfs/dbraw/zinc/75/17/01/1279751701.db2.gz RHODWDUPXBVQFN-OAHLLOKOSA-N 1 0 326.444 2.781 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC3(CC(OCC4CC4)C3)CC2)c(O)c1 ZINC001144507936 1279753250 /nfs/dbraw/zinc/75/32/50/1279753250.db2.gz GIDPRKPUHUYANT-UHFFFAOYSA-N 1 0 333.428 2.975 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1F ZINC000793591854 1279761996 /nfs/dbraw/zinc/76/19/96/1279761996.db2.gz RVFKNPKDCICQFC-JKSUJKDBSA-N 1 0 337.483 2.559 20 10 EFCDRO COC(=O)[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)[C@H]1c1ccccc1 ZINC001144520497 1279763143 /nfs/dbraw/zinc/76/31/43/1279763143.db2.gz SCSSZQVTNWVGEY-KSSFIOAISA-N 1 0 343.379 2.540 20 10 EFCDRO CCOC(=O)c1cc2c(s1)CC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144508997 1279769127 /nfs/dbraw/zinc/76/91/27/1279769127.db2.gz GWCKFUPGMYOBCF-UHFFFAOYSA-N 1 0 349.408 2.600 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c(O)c1 ZINC001144509195 1279769399 /nfs/dbraw/zinc/76/93/99/1279769399.db2.gz ONJZSFFQLAJXRY-QAPCUYQASA-N 1 0 340.423 2.510 20 10 EFCDRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000793610106 1279772345 /nfs/dbraw/zinc/77/23/45/1279772345.db2.gz OIRZAXJGIIXSOQ-PBHICJAKSA-N 1 0 343.423 2.911 20 10 EFCDRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000793610109 1279772351 /nfs/dbraw/zinc/77/23/51/1279772351.db2.gz OIRZAXJGIIXSOQ-YOEHRIQHSA-N 1 0 343.423 2.911 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](OCc3ccccc3)C2)c(O)c1 ZINC001144514575 1279773783 /nfs/dbraw/zinc/77/37/83/1279773783.db2.gz LAYGMTUKRRVPPC-INIZCTEOSA-N 1 0 329.396 2.985 20 10 EFCDRO Oc1cc(O)c(C[N@H+](Cc2ccccc2)C2CCOCC2)c(O)c1 ZINC001144514765 1279774522 /nfs/dbraw/zinc/77/45/22/1279774522.db2.gz RGYFIDLKGWMYBP-UHFFFAOYSA-N 1 0 329.396 2.985 20 10 EFCDRO COC[C@@H](C)[N@H+](Cc1cccc(OC)c1)Cc1c(O)cc(O)cc1O ZINC001144514733 1279774982 /nfs/dbraw/zinc/77/49/82/1279774982.db2.gz QCKPBQBAMBIRDY-CYBMUJFWSA-N 1 0 347.411 2.849 20 10 EFCDRO C[C@@]1(c2ccc(F)cc2)C[N@H+](Cc2c(O)cc(O)cc2O)CCO1 ZINC001144514764 1279775052 /nfs/dbraw/zinc/77/50/52/1279775052.db2.gz RGRGCGLJTGLZRG-SFHVURJKSA-N 1 0 333.359 2.690 20 10 EFCDRO Cc1cc(F)ccc1N1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144515658 1279777406 /nfs/dbraw/zinc/77/74/06/1279777406.db2.gz UOUSHJFXNNATFG-UHFFFAOYSA-N 1 0 332.375 2.573 20 10 EFCDRO CCCc1noc(C2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)n1 ZINC001144515763 1279777976 /nfs/dbraw/zinc/77/79/76/1279777976.db2.gz XXNOWMZJDUDHIZ-UHFFFAOYSA-N 1 0 333.388 2.519 20 10 EFCDRO CC(=O)OC[C@H]1CCC2(C1)CC[NH+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144515848 1279778187 /nfs/dbraw/zinc/77/81/87/1279778187.db2.gz GYEUYHQTFCQRTQ-AWEZNQCLSA-N 1 0 349.427 2.749 20 10 EFCDRO COC(=O)c1cccc([C@H]2CCC[N@@H+]2Cc2c(O)cc(O)cc2O)c1 ZINC001144516224 1279779667 /nfs/dbraw/zinc/77/96/67/1279779667.db2.gz UJEXNEKXBLOFAL-MRXNPFEDSA-N 1 0 343.379 2.927 20 10 EFCDRO COc1cccc(C[N@@H+]2CCN(C)[C@@H](Cc3ccccc3)C2)c1O ZINC000793621572 1279780543 /nfs/dbraw/zinc/78/05/43/1279780543.db2.gz YRONWZFHPIYJAP-SFHVURJKSA-N 1 0 326.440 2.760 20 10 EFCDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000846052997 1280003212 /nfs/dbraw/zinc/00/32/12/1280003212.db2.gz LNDQTVKRMYLRPD-QZTJIDSGSA-N 1 0 343.423 2.553 20 10 EFCDRO O=C1C[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)CN1C1CC1 ZINC000846076847 1280006336 /nfs/dbraw/zinc/00/63/36/1280006336.db2.gz YQDPYKMVSDLJRK-QGZVFWFLSA-N 1 0 327.472 2.777 20 10 EFCDRO C[NH+](C)C[C@@H](CNC(=O)c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000846132306 1280031768 /nfs/dbraw/zinc/03/17/68/1280031768.db2.gz XODSYBNBLZDCPA-CYBMUJFWSA-N 1 0 348.830 2.826 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)c1O ZINC000846150857 1280038612 /nfs/dbraw/zinc/03/86/12/1280038612.db2.gz RRNOTSFFVXTEAC-STQMWFEESA-N 1 0 331.391 2.864 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c1O ZINC000846151466 1280038666 /nfs/dbraw/zinc/03/86/66/1280038666.db2.gz YWMIPNUBVJASIN-BHYGNILZSA-N 1 0 334.460 2.695 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NCC3)c1O ZINC000846166680 1280044088 /nfs/dbraw/zinc/04/40/88/1280044088.db2.gz ZOCHMBPJAWQOBG-GFCCVEGCSA-N 1 0 326.396 2.538 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1O ZINC000846166802 1280044355 /nfs/dbraw/zinc/04/43/55/1280044355.db2.gz CWENBQMDNYBRHV-IYOUNJFTSA-N 1 0 335.444 2.619 20 10 EFCDRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846168588 1280044978 /nfs/dbraw/zinc/04/49/78/1280044978.db2.gz KPTSAIUPIOCEME-ZFWWWQNUSA-N 1 0 331.412 2.836 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)NCCc2ccccc2)c1O ZINC000846169787 1280045873 /nfs/dbraw/zinc/04/58/73/1280045873.db2.gz UDBZNOSNRSVLEK-GJZGRUSLSA-N 1 0 342.439 2.799 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)c1O ZINC000846172619 1280047838 /nfs/dbraw/zinc/04/78/38/1280047838.db2.gz ZOARRDNIDVBJEQ-OLZOCXBDSA-N 1 0 344.386 2.996 20 10 EFCDRO COCCOc1ncccc1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846140267 1280049603 /nfs/dbraw/zinc/04/96/03/1280049603.db2.gz LQVYHRMIWWMQGD-ZDUSSCGKSA-N 1 0 332.400 2.672 20 10 EFCDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846139619 1280049949 /nfs/dbraw/zinc/04/99/49/1280049949.db2.gz YAJBPDACBDMALZ-LRDDRELGSA-N 1 0 347.411 2.802 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]CCCS(=O)(=O)c2ccccc2)c1O ZINC000846142639 1280050950 /nfs/dbraw/zinc/05/09/50/1280050950.db2.gz GAEGXYGOXVJBCA-CQSZACIVSA-N 1 0 349.452 2.915 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]CCNC(=O)c2ccc(C)cc2)c1O ZINC000846147079 1280052310 /nfs/dbraw/zinc/05/23/10/1280052310.db2.gz VLHREALMHOYWHB-CQSZACIVSA-N 1 0 328.412 2.790 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c1O ZINC000846146661 1280053615 /nfs/dbraw/zinc/05/36/15/1280053615.db2.gz SUAQHFYWRARMEW-ZIAGYGMSSA-N 1 0 326.396 2.857 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000846205352 1280054532 /nfs/dbraw/zinc/05/45/32/1280054532.db2.gz GEOBSVCFADZUAV-KGLIPLIRSA-N 1 0 328.456 2.933 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)NCc2ccc(C[NH3+])cc2F)cc1 ZINC000846202724 1280069258 /nfs/dbraw/zinc/06/92/58/1280069258.db2.gz IXFMBCQSTRPZQF-UHFFFAOYSA-N 1 0 344.434 2.692 20 10 EFCDRO C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cc(Br)ccc1O ZINC000846214920 1280071947 /nfs/dbraw/zinc/07/19/47/1280071947.db2.gz OKTMOISRNVLJOD-ABAIWWIYSA-N 1 0 344.249 2.737 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H]3CC34CC4)C2)cc1C ZINC001091256718 1280225525 /nfs/dbraw/zinc/22/55/25/1280225525.db2.gz VRKFSLUSXCLDRC-JCYILVPMSA-N 1 0 328.456 2.788 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccn3c2CCCC3)cc1C ZINC001129700101 1280313388 /nfs/dbraw/zinc/31/33/88/1280313388.db2.gz ACYINDYVDNBTEV-UHFFFAOYSA-N 1 0 341.455 2.661 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)c2ccc(C)o2)cc1C ZINC001134957983 1287418123 /nfs/dbraw/zinc/41/81/23/1287418123.db2.gz MJOGZWMXOPBALS-OAHLLOKOSA-N 1 0 330.428 2.915 20 10 EFCDRO COc1c(C)cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1C ZINC000846664150 1280379899 /nfs/dbraw/zinc/37/98/99/1280379899.db2.gz VRRRORUHPDLKEB-SFHVURJKSA-N 1 0 341.455 2.808 20 10 EFCDRO CCC(CC)n1nccc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000846663216 1280407877 /nfs/dbraw/zinc/40/78/77/1280407877.db2.gz FLBXBUKUMGFDEV-KRWDZBQOSA-N 1 0 343.475 2.740 20 10 EFCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000846696042 1280427368 /nfs/dbraw/zinc/42/73/68/1280427368.db2.gz CMQHOVGSDVPAAJ-LJQANCHMSA-N 1 0 341.455 2.598 20 10 EFCDRO C[N@H+](Cc1ccc(OCC(F)(F)F)nn1)Cc1ccccc1O ZINC000846823933 1280519193 /nfs/dbraw/zinc/51/91/93/1280519193.db2.gz CWGYQTCTAGHUND-UHFFFAOYSA-N 1 0 327.306 2.755 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)C[NH+](C)C)c2C)cc1 ZINC000805426768 1280559261 /nfs/dbraw/zinc/55/92/61/1280559261.db2.gz UDFQGBLGSTZZMA-ZDUSSCGKSA-N 1 0 329.444 2.783 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)CC2(Br)CC2)cc1 ZINC000847007499 1280696531 /nfs/dbraw/zinc/69/65/31/1280696531.db2.gz FYXXHDNHWJVYIJ-UHFFFAOYSA-N 1 0 327.266 2.991 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000806127874 1280986021 /nfs/dbraw/zinc/98/60/21/1280986021.db2.gz KYFKLRQDMIXFLT-SFTDATJTSA-N 1 0 343.515 2.986 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCO[C@H](C(C)C)C2)cc1C ZINC001146776002 1281029465 /nfs/dbraw/zinc/02/94/65/1281029465.db2.gz BGDUIYKQBGXLBZ-HKUYNNGSSA-N 1 0 348.487 2.661 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C(C)(C)c2cccnc2)cc1C ZINC001130632202 1281065167 /nfs/dbraw/zinc/06/51/67/1281065167.db2.gz OBCCPHXIMHVAGZ-UHFFFAOYSA-N 1 0 341.455 2.582 20 10 EFCDRO CC[C@H]1C[C@@H](CC(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)CCO1 ZINC001146959751 1281074658 /nfs/dbraw/zinc/07/46/58/1281074658.db2.gz OZDXXBORCGBYES-WMZOPIPTSA-N 1 0 348.487 2.805 20 10 EFCDRO CC[C@H]1C[C@H](CC(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)CCO1 ZINC001146959747 1281074928 /nfs/dbraw/zinc/07/49/28/1281074928.db2.gz OZDXXBORCGBYES-AEFFLSMTSA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc(C)cc(C)n2)cc1C ZINC001130674120 1281098276 /nfs/dbraw/zinc/09/82/76/1281098276.db2.gz TXZDYPCLJFIPJE-UHFFFAOYSA-N 1 0 327.428 2.535 20 10 EFCDRO CNC(=O)[C@H](CCSC)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000806663918 1281129653 /nfs/dbraw/zinc/12/96/53/1281129653.db2.gz XDVLBYFUGPXAKM-DLOVCJGASA-N 1 0 326.437 2.537 20 10 EFCDRO CNC(=O)[C@H](CCSC)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000806663920 1281129733 /nfs/dbraw/zinc/12/97/33/1281129733.db2.gz XDVLBYFUGPXAKM-USWWRNFRSA-N 1 0 326.437 2.537 20 10 EFCDRO COCc1csc(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001130879117 1281251722 /nfs/dbraw/zinc/25/17/22/1281251722.db2.gz HGGVNEJQSKRTDD-UHFFFAOYSA-N 1 0 348.468 2.731 20 10 EFCDRO COCc1ccsc1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001147743777 1281261801 /nfs/dbraw/zinc/26/18/01/1281261801.db2.gz SJQGKPAUCRJNGT-UHFFFAOYSA-N 1 0 348.468 2.731 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)CCc2ccc(F)cc2)cc1C ZINC001130914148 1281290245 /nfs/dbraw/zinc/29/02/45/1281290245.db2.gz UWMXLNXTWMKJAS-UHFFFAOYSA-N 1 0 344.430 2.981 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000103604102 1281306964 /nfs/dbraw/zinc/30/69/64/1281306964.db2.gz QXNILDNSSIXTIX-KBPBESRZSA-N 1 0 335.448 2.635 20 10 EFCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000807549328 1281347532 /nfs/dbraw/zinc/34/75/32/1281347532.db2.gz VPBAJVMFTOXMJV-INIZCTEOSA-N 1 0 345.487 2.945 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C(C)(C)C2CCOCC2)cc1C ZINC001131097791 1281471631 /nfs/dbraw/zinc/47/16/31/1281471631.db2.gz YGYFDCWDGILWFR-UHFFFAOYSA-N 1 0 348.487 2.662 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cccnc2C(F)F)cc1C ZINC001131135976 1281506591 /nfs/dbraw/zinc/50/65/91/1281506591.db2.gz PRWKAJUVCIHQOW-UHFFFAOYSA-N 1 0 349.381 2.856 20 10 EFCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000808208861 1281602719 /nfs/dbraw/zinc/60/27/19/1281602719.db2.gz ZGCBMMTUNUULTK-CQSZACIVSA-N 1 0 346.471 2.840 20 10 EFCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000808208860 1281603709 /nfs/dbraw/zinc/60/37/09/1281603709.db2.gz ZGCBMMTUNUULTK-AWEZNQCLSA-N 1 0 346.471 2.840 20 10 EFCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)Cc2ccccc2O1 ZINC000808236636 1281619919 /nfs/dbraw/zinc/61/99/19/1281619919.db2.gz ILCBBVFTWCEBNY-KRWDZBQOSA-N 1 0 341.407 2.991 20 10 EFCDRO Oc1ccc([C@@H](O)C[NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)cc1O ZINC001171334499 1281645918 /nfs/dbraw/zinc/64/59/18/1281645918.db2.gz SQAVVBUBMANYNU-ACJLOTCBSA-N 1 0 335.350 2.557 20 10 EFCDRO CSCC[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)N(C)C ZINC000808438665 1281712644 /nfs/dbraw/zinc/71/26/44/1281712644.db2.gz JYFOJGNIYKKEJG-SFHVURJKSA-N 1 0 349.544 2.976 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)c1 ZINC000808448069 1281715199 /nfs/dbraw/zinc/71/51/99/1281715199.db2.gz WWKLJQDOAXCKCQ-BMGDILEWSA-N 1 0 332.444 2.528 20 10 EFCDRO Fc1cc(C[NH2+]C[C@@H]2COc3ccccc32)ccc1N1CCOCC1 ZINC000808451518 1281716837 /nfs/dbraw/zinc/71/68/37/1281716837.db2.gz QXHHKIUSQKGFMY-MRXNPFEDSA-N 1 0 342.414 2.928 20 10 EFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCS(=O)(=O)CC2CC2)c1O ZINC000808706460 1281865500 /nfs/dbraw/zinc/86/55/00/1281865500.db2.gz KQDGFONFELIGKR-LLVKDONJSA-N 1 0 331.865 2.829 20 10 EFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)c1O ZINC000808710304 1281867444 /nfs/dbraw/zinc/86/74/44/1281867444.db2.gz OYZNNMCEJBOHNS-CORIIIEPSA-N 1 0 340.851 2.640 20 10 EFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c1O ZINC000808713079 1281869104 /nfs/dbraw/zinc/86/91/04/1281869104.db2.gz LBLBJSYDLUNERG-OCCSQVGLSA-N 1 0 341.835 2.927 20 10 EFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)c1O ZINC000808697893 1281877311 /nfs/dbraw/zinc/87/73/11/1281877311.db2.gz YGHRJZXVYKUVOE-TZMCWYRMSA-N 1 0 326.868 2.973 20 10 EFCDRO CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001086886161 1281893049 /nfs/dbraw/zinc/89/30/49/1281893049.db2.gz OTSUBXAASSTAHZ-XJKSGUPXSA-N 1 0 345.447 2.993 20 10 EFCDRO CCC(CC)[N@H+](CC)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000808782136 1281897380 /nfs/dbraw/zinc/89/73/80/1281897380.db2.gz GXSFPLLFNZADLU-UHFFFAOYSA-N 1 0 347.503 2.854 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H]2CCC(C)(C)CO2)cc1C ZINC001131504299 1281968385 /nfs/dbraw/zinc/96/83/85/1281968385.db2.gz SQAINHVSOBWHDD-KRWDZBQOSA-N 1 0 348.487 2.805 20 10 EFCDRO CC[NH+]1CCN(c2ccc(N(CCO)c3ccc(N)cc3)cc2)CC1 ZINC001175780912 1287550634 /nfs/dbraw/zinc/55/06/34/1287550634.db2.gz OMTYSHXHYIPSFP-UHFFFAOYSA-N 1 0 340.471 2.541 20 10 EFCDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809658832 1282340164 /nfs/dbraw/zinc/34/01/64/1282340164.db2.gz XHDOVSACVATCNO-JOCHJYFZSA-N 1 0 349.478 2.947 20 10 EFCDRO CC[N@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@H]1CCNC1=O ZINC000809660453 1282390316 /nfs/dbraw/zinc/39/03/16/1282390316.db2.gz IKOQFBVXANTYBK-NRFANRHFSA-N 1 0 349.478 2.960 20 10 EFCDRO C[N@H+](CCOCCO)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809662346 1282391825 /nfs/dbraw/zinc/39/18/25/1282391825.db2.gz GMKAQOXNEOEOHS-UHFFFAOYSA-N 1 0 340.467 2.690 20 10 EFCDRO CN(C)CC[N@H+](CCc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000809731547 1282409682 /nfs/dbraw/zinc/40/96/82/1282409682.db2.gz ZWDFXZYFDAVAHC-UHFFFAOYSA-N 1 0 342.439 2.727 20 10 EFCDRO COc1cc(Br)cc(CN(C)CCC[NH+](C)C)c1O ZINC000809730046 1282410361 /nfs/dbraw/zinc/41/03/61/1282410361.db2.gz XXQHLRRUEMEXOS-UHFFFAOYSA-N 1 0 331.254 2.547 20 10 EFCDRO CN(Cc1ccc(N2CCOCC2)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000809704625 1282416253 /nfs/dbraw/zinc/41/62/53/1282416253.db2.gz DGUBMJZNAMTQIA-JWTNVVGKSA-N 1 0 347.478 2.719 20 10 EFCDRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000809723327 1282426910 /nfs/dbraw/zinc/42/69/10/1282426910.db2.gz GVRLJGJOFVRGHY-OAHLLOKOSA-N 1 0 336.432 2.844 20 10 EFCDRO COc1cccc(CN(CC[NH+](C)C)Cc2cc(OC)ccc2O)c1 ZINC000809751672 1282452049 /nfs/dbraw/zinc/45/20/49/1282452049.db2.gz HMWRKZVOPRZIPH-UHFFFAOYSA-N 1 0 344.455 2.973 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CCNC(C)=O)C2)c1O ZINC000809777920 1282479003 /nfs/dbraw/zinc/47/90/03/1282479003.db2.gz IRCUHRUCXXWXCL-CYBMUJFWSA-N 1 0 340.851 2.792 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000809791027 1282490599 /nfs/dbraw/zinc/49/05/99/1282490599.db2.gz RZSCRIXBCFHHHI-FQEVSTJZSA-N 1 0 345.414 2.967 20 10 EFCDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000809790787 1282490837 /nfs/dbraw/zinc/49/08/37/1282490837.db2.gz OKRHYMCSKJGAAO-IBGZPJMESA-N 1 0 336.451 2.647 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CC2)cc1 ZINC000810038772 1282801604 /nfs/dbraw/zinc/80/16/04/1282801604.db2.gz ZNEXUGRFAWCBGK-GOSISDBHSA-N 1 0 331.460 2.996 20 10 EFCDRO CCCC[C@@H](C)[N@H+](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000810124447 1282906799 /nfs/dbraw/zinc/90/67/99/1282906799.db2.gz GFWRUILKQSIOEP-QGZVFWFLSA-N 1 0 347.503 2.854 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@H](C)CN(C)C(C)C)c1O ZINC000810173075 1282964948 /nfs/dbraw/zinc/96/49/48/1282964948.db2.gz WHCIRAUGCBUSRF-LLVKDONJSA-N 1 0 345.281 2.982 20 10 EFCDRO CCC[N@H+](CC)C[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000810180356 1283008549 /nfs/dbraw/zinc/00/85/49/1283008549.db2.gz VTXFBCQJFRDWBU-MRXNPFEDSA-N 1 0 337.483 2.872 20 10 EFCDRO C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815582788 1287612109 /nfs/dbraw/zinc/61/21/09/1287612109.db2.gz PIOYVINDZXLKLW-LLVKDONJSA-N 1 0 332.366 2.518 20 10 EFCDRO CC[C@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccc(C(F)(F)F)cc1O ZINC000810240877 1283094141 /nfs/dbraw/zinc/09/41/41/1283094141.db2.gz HTHFBXNYWLBMMB-CABZTGNLSA-N 1 0 336.329 2.926 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CC(N)=O)cc2)c2c1c(F)ccc2O ZINC000810242038 1283095947 /nfs/dbraw/zinc/09/59/47/1283095947.db2.gz JEVXWGKPNXZKHS-IAQYHMDHSA-N 1 0 328.387 2.897 20 10 EFCDRO C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815594500 1287620078 /nfs/dbraw/zinc/62/00/78/1287620078.db2.gz QHKODEBXNWAQTR-HZMBPMFUSA-N 1 0 333.350 2.849 20 10 EFCDRO OCC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)COC1 ZINC000815597372 1287624904 /nfs/dbraw/zinc/62/49/04/1287624904.db2.gz UWEWYVHNWBBVIU-SFHVURJKSA-N 1 0 327.424 2.665 20 10 EFCDRO CN1CC[C@](O)(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815616174 1287639535 /nfs/dbraw/zinc/63/95/35/1287639535.db2.gz IBWPXXLXYWLCOX-CTNGQTDRSA-N 1 0 340.467 2.722 20 10 EFCDRO CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)c1cc(Br)ccc1O ZINC000036794313 1283734214 /nfs/dbraw/zinc/73/42/14/1283734214.db2.gz AHKAGAAMLOZJEJ-SKDRFNHKSA-N 1 0 329.238 2.672 20 10 EFCDRO COCCC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001132582522 1283951589 /nfs/dbraw/zinc/95/15/89/1283951589.db2.gz RPLZDIVPXQMKAU-MAUKXSAKSA-N 1 0 348.487 2.614 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)Cc2ccco2)cc1C ZINC001135186268 1287735432 /nfs/dbraw/zinc/73/54/32/1287735432.db2.gz CJOGFXGQSYVCDW-HNNXBMFYSA-N 1 0 330.428 2.681 20 10 EFCDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000811929081 1284756114 /nfs/dbraw/zinc/75/61/14/1284756114.db2.gz AUOHJBCXZVDMPC-KGLIPLIRSA-N 1 0 337.464 2.881 20 10 EFCDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000811931547 1284757474 /nfs/dbraw/zinc/75/74/74/1284757474.db2.gz MLUYPBBIYIIALE-INIZCTEOSA-N 1 0 334.508 2.981 20 10 EFCDRO Oc1ccc([C@@H](O)C[NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)cc1O ZINC001170654881 1284779938 /nfs/dbraw/zinc/77/99/38/1284779938.db2.gz MWPFGUBKCUWIRZ-ACJLOTCBSA-N 1 0 335.350 2.557 20 10 EFCDRO CCOc1ccc(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c(O)c1 ZINC000812778375 1285410163 /nfs/dbraw/zinc/41/01/63/1285410163.db2.gz JYIDVSYVSJDGBC-GOSISDBHSA-N 1 0 342.439 2.970 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2CCOCC2)cc1C ZINC001133469797 1285461219 /nfs/dbraw/zinc/46/12/19/1285461219.db2.gz STIMQYWAHSWLQJ-HZPDHXFCSA-N 1 0 348.487 2.803 20 10 EFCDRO CC[N@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)CC(C)(C)C ZINC000812891979 1285511638 /nfs/dbraw/zinc/51/16/38/1285511638.db2.gz BOFVBNPIRJLYKN-UHFFFAOYSA-N 1 0 347.503 2.712 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)CN1Cc1ccccc1 ZINC001171727363 1285744013 /nfs/dbraw/zinc/74/40/13/1285744013.db2.gz CHALFVFELRPZDR-RHSMWYFYSA-N 1 0 342.439 2.599 20 10 EFCDRO CCOCc1cc(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)ccc1OC ZINC000747853881 1285878429 /nfs/dbraw/zinc/87/84/29/1285878429.db2.gz HTOHJWGUTXYHSW-GOSISDBHSA-N 1 0 341.455 2.977 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2cnns2)cc1C ZINC001133804796 1285956821 /nfs/dbraw/zinc/95/68/21/1285956821.db2.gz YYCYLYAGLRBPPN-STQMWFEESA-N 1 0 348.472 2.542 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2cnns2)cc1C ZINC001133804794 1285956892 /nfs/dbraw/zinc/95/68/92/1285956892.db2.gz YYCYLYAGLRBPPN-QWHCGFSZSA-N 1 0 348.472 2.542 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2ncoc2C)cc1C ZINC001133848082 1286027364 /nfs/dbraw/zinc/02/73/64/1286027364.db2.gz GOJZXHOLUPEYSP-KGLIPLIRSA-N 1 0 345.443 2.987 20 10 EFCDRO O=C1CC[C@H]2C[C@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)CCN12 ZINC001172148445 1286038984 /nfs/dbraw/zinc/03/89/84/1286038984.db2.gz XYJXKKGRYSGKDZ-MJGOQNOKSA-N 1 0 327.472 2.920 20 10 EFCDRO COCCOc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC001172227176 1286062438 /nfs/dbraw/zinc/06/24/38/1286062438.db2.gz PFAWKCUFRMMJEM-CTXDPNEZSA-N 1 0 346.471 2.544 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2cnc(C)[nH]2)cc1C ZINC001133917369 1286113616 /nfs/dbraw/zinc/11/36/16/1286113616.db2.gz VFGZBTFVNLMJOQ-KBPBESRZSA-N 1 0 344.459 2.722 20 10 EFCDRO CCOc1cccc(C[NH2+]Cc2cc3ccccc3n(C)c2=O)c1O ZINC000813790037 1286120320 /nfs/dbraw/zinc/12/03/20/1286120320.db2.gz HIJFABSNKBNLJO-UHFFFAOYSA-N 1 0 338.407 2.933 20 10 EFCDRO CC(C)OC(=O)CC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001172748579 1286255989 /nfs/dbraw/zinc/25/59/89/1286255989.db2.gz RYIZCGXGNNUTIJ-INIZCTEOSA-N 1 0 334.460 2.733 20 10 EFCDRO COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC001172780109 1286277782 /nfs/dbraw/zinc/27/77/82/1286277782.db2.gz CVJVFWLDXKDOJX-IAGOWNOFSA-N 1 0 346.471 2.939 20 10 EFCDRO COC(=O)[C@@H]1CCC[C@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC001172780117 1286278308 /nfs/dbraw/zinc/27/83/08/1286278308.db2.gz CVJVFWLDXKDOJX-SJORKVTESA-N 1 0 346.471 2.939 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCc2ncsc2C1 ZINC001173136160 1286424268 /nfs/dbraw/zinc/42/42/68/1286424268.db2.gz DWRMZSWWCJNQTE-KRWDZBQOSA-N 1 0 343.496 2.969 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2n[nH]cc2C)cc1C ZINC001134303262 1286544878 /nfs/dbraw/zinc/54/48/78/1286544878.db2.gz QNGUKJNQIFBTSN-LSDHHAIUSA-N 1 0 344.459 2.722 20 10 EFCDRO c1nnn([C@H]2CCC[C@@H]([NH2+]Cc3ccc(N4CCCC4)cc3)C2)n1 ZINC001173734812 1286771784 /nfs/dbraw/zinc/77/17/84/1286771784.db2.gz OVKIWBUTSDRHDX-AEFFLSMTSA-N 1 0 326.448 2.547 20 10 EFCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173766329 1286783521 /nfs/dbraw/zinc/78/35/21/1286783521.db2.gz GZONJSUNDQMTJL-ROUUACIJSA-N 1 0 328.464 2.745 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)CCc2csc(C)n2)cc1C ZINC001134703507 1287089564 /nfs/dbraw/zinc/08/95/64/1287089564.db2.gz MGMHBVJQZSWQSW-UHFFFAOYSA-N 1 0 347.484 2.607 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](OC)C2CCCC2)cc1C ZINC001174804274 1287189260 /nfs/dbraw/zinc/18/92/60/1287189260.db2.gz QAAJWDXDROCZKX-IBGZPJMESA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)CCc2nccs2)cc1C ZINC001176436878 1287974790 /nfs/dbraw/zinc/97/47/90/1287974790.db2.gz YIMHLRFXFCZLCK-UHFFFAOYSA-N 1 0 347.484 2.689 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2conc2C)cc1C ZINC001135367399 1287976402 /nfs/dbraw/zinc/97/64/02/1287976402.db2.gz NCUYYWVGGXQMOR-UONOGXRCSA-N 1 0 345.443 2.987 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2conc2C)cc1C ZINC001135367400 1287976479 /nfs/dbraw/zinc/97/64/79/1287976479.db2.gz NCUYYWVGGXQMOR-ZIAGYGMSSA-N 1 0 345.443 2.987 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2nc(C)c(C)s2)cc1C ZINC001176412654 1287983572 /nfs/dbraw/zinc/98/35/72/1287983572.db2.gz NSWSJFFMAPGBMW-UHFFFAOYSA-N 1 0 347.484 2.987 20 10 EFCDRO C[NH+](C)CCn1cc(Nc2ccccc2C(=O)c2ccncc2)cn1 ZINC001176452481 1287989604 /nfs/dbraw/zinc/98/96/04/1287989604.db2.gz QEUNHUJKPFXXFO-UHFFFAOYSA-N 1 0 335.411 2.814 20 10 EFCDRO Oc1c(C[NH+]2CCN(C[C@H]3CCCO3)CC2)ccc2ccccc21 ZINC000816482027 1288153728 /nfs/dbraw/zinc/15/37/28/1288153728.db2.gz RSBSUUPFASNNNZ-GOSISDBHSA-N 1 0 326.440 2.842 20 10 EFCDRO O=C(C[NH2+]Cc1ccc2ccccc2c1O)NCCc1ccccc1 ZINC000816547128 1288198821 /nfs/dbraw/zinc/19/88/21/1288198821.db2.gz KXLQQZRJDHBHLP-UHFFFAOYSA-N 1 0 334.419 2.994 20 10 EFCDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816552859 1288210596 /nfs/dbraw/zinc/21/05/96/1288210596.db2.gz ZLSXHWLATBRQDM-CVEARBPZSA-N 1 0 333.453 2.991 20 10 EFCDRO CN(Cc1cnn(CC(F)F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000816569560 1288212396 /nfs/dbraw/zinc/21/23/96/1288212396.db2.gz PGYUDXPOPOWFFH-UHFFFAOYSA-N 1 0 338.402 2.725 20 10 EFCDRO CN(CC[N@H+](C)Cc1cc(Cl)c(F)cc1[O-])C1CC[NH+](C)CC1 ZINC000816610784 1288225086 /nfs/dbraw/zinc/22/50/86/1288225086.db2.gz YGUHVUFYZTWTCG-UHFFFAOYSA-N 1 0 343.874 2.643 20 10 EFCDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)C1 ZINC000816641899 1288227177 /nfs/dbraw/zinc/22/71/77/1288227177.db2.gz JQKOHYJKBJIJSB-MRXNPFEDSA-N 1 0 339.823 2.872 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)c1O ZINC000816653183 1288229271 /nfs/dbraw/zinc/22/92/71/1288229271.db2.gz JEJSMZDESZXHAS-AWEZNQCLSA-N 1 0 334.803 2.761 20 10 EFCDRO CCc1nocc1CN(C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000816652736 1288229850 /nfs/dbraw/zinc/22/98/50/1288229850.db2.gz SDTAUQVALGKMTE-UHFFFAOYSA-N 1 0 328.460 2.621 20 10 EFCDRO CC[C@@H]1C[N@H+](C)CCN1Cc1cc(Br)cc(C)c1O ZINC000816660551 1288232279 /nfs/dbraw/zinc/23/22/79/1288232279.db2.gz IISCNVDGEAKKQQ-CQSZACIVSA-N 1 0 327.266 2.989 20 10 EFCDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](O)CC2)ccc1N1CCCCC1 ZINC000816667085 1288235425 /nfs/dbraw/zinc/23/54/25/1288235425.db2.gz CIJNUWBTGGUDHZ-INIZCTEOSA-N 1 0 333.432 2.932 20 10 EFCDRO O[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C12CCCC2 ZINC000816630707 1288236817 /nfs/dbraw/zinc/23/68/17/1288236817.db2.gz OTDCNFYWWUKQNB-GOSISDBHSA-N 1 0 334.435 2.542 20 10 EFCDRO O=C(NCc1ccccc1O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000816911934 1288327881 /nfs/dbraw/zinc/32/78/81/1288327881.db2.gz DTAIJRQFNJFOPB-IBGZPJMESA-N 1 0 338.451 2.963 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000817171596 1288448379 /nfs/dbraw/zinc/44/83/79/1288448379.db2.gz YLRPVNHSVLMLBZ-QFBILLFUSA-N 1 0 346.519 2.728 20 10 EFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C)C[C@@H](CO)C3)cc2)CC1 ZINC000817281667 1288501521 /nfs/dbraw/zinc/50/15/21/1288501521.db2.gz NPYRXURZDYHRHV-SJLPKXTDSA-N 1 0 332.488 2.752 20 10 EFCDRO COCCC(=O)NCCCCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001177704999 1288522008 /nfs/dbraw/zinc/52/20/08/1288522008.db2.gz ZCYAEBXKPVIZCZ-UHFFFAOYSA-N 1 0 336.476 2.806 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1)[C@@H](O)CO2 ZINC000817365475 1288579563 /nfs/dbraw/zinc/57/95/63/1288579563.db2.gz UDNPCIWEMZUGOH-HZMBPMFUSA-N 1 0 331.334 2.982 20 10 EFCDRO CN(C)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC000817409018 1288589265 /nfs/dbraw/zinc/58/92/65/1288589265.db2.gz WISFNKVPUORNBG-UHFFFAOYSA-N 1 0 325.460 2.512 20 10 EFCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c1O ZINC000817411981 1288590536 /nfs/dbraw/zinc/59/05/36/1288590536.db2.gz ALQVXVHUSGZNSA-PWSUYJOCSA-N 1 0 328.250 2.913 20 10 EFCDRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000817413065 1288591801 /nfs/dbraw/zinc/59/18/01/1288591801.db2.gz SDQVSVUVIYPQKH-XYPYZODXSA-N 1 0 341.249 2.536 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c1O ZINC000817412548 1288591809 /nfs/dbraw/zinc/59/18/09/1288591809.db2.gz MLNNKAMNAQGANH-GHMZBOCLSA-N 1 0 344.249 2.614 20 10 EFCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000817418906 1288593794 /nfs/dbraw/zinc/59/37/94/1288593794.db2.gz KOFRFVNRZQXJBL-QGZVFWFLSA-N 1 0 335.411 2.540 20 10 EFCDRO CON1CCC([NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000817589578 1288666028 /nfs/dbraw/zinc/66/60/28/1288666028.db2.gz ZBVLBSHDYDBSOI-SNVBAGLBSA-N 1 0 329.238 2.831 20 10 EFCDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc(-n2c(C)ccc2C)cc1 ZINC001170873615 1288671681 /nfs/dbraw/zinc/67/16/81/1288671681.db2.gz GHGIDQBFTMWVRI-QZTJIDSGSA-N 1 0 327.428 2.657 20 10 EFCDRO CCOCCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001178200628 1288700542 /nfs/dbraw/zinc/70/05/42/1288700542.db2.gz NQZZXOXWTJVNBX-WMZOPIPTSA-N 1 0 348.487 2.899 20 10 EFCDRO CCO[C@@H](CC)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001178252430 1288708719 /nfs/dbraw/zinc/70/87/19/1288708719.db2.gz UTOJITXEMPBXLV-SZMVWBNQSA-N 1 0 348.487 2.898 20 10 EFCDRO CN1C(=O)NCC12CC[NH+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000822529607 1289011134 /nfs/dbraw/zinc/01/11/34/1289011134.db2.gz GGTIJBGSZDHMRA-UHFFFAOYSA-N 1 0 342.487 2.667 20 10 EFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)cc1 ZINC000823201785 1289241014 /nfs/dbraw/zinc/24/10/14/1289241014.db2.gz JPRJGFTWDCPPRL-QFBILLFUSA-N 1 0 345.487 2.511 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)c2ccccc2n1C ZINC001232402362 1312693896 /nfs/dbraw/zinc/69/38/96/1312693896.db2.gz MBJAJMDMMNATIY-ORAYPTAESA-N 1 0 330.428 2.558 20 10 EFCDRO C[C@H](Cc1ccccn1)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448173 1312694037 /nfs/dbraw/zinc/69/40/37/1312694037.db2.gz LQXLQMXXQFQHQI-UZLBHIALSA-N 1 0 326.488 2.971 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2C[C@@H](CO)CC[C@@H]2C)c2ccccc2n1C ZINC001232401904 1312694021 /nfs/dbraw/zinc/69/40/21/1312694021.db2.gz GJDBOLIDQCIEDQ-KBPBESRZSA-N 1 0 330.428 2.558 20 10 EFCDRO COC(=O)c1c(C[N@H+]2CC[C@@H](O)[C@@H](C)CC2)c2ccccc2n1C ZINC001232402578 1312694065 /nfs/dbraw/zinc/69/40/65/1312694065.db2.gz PQXWQQQQIREPPF-SUMWQHHRSA-N 1 0 330.428 2.558 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2C[C@H](CO)CC[C@H]2C)c2ccccc2n1C ZINC001232401907 1312694175 /nfs/dbraw/zinc/69/41/75/1312694175.db2.gz GJDBOLIDQCIEDQ-ZIAGYGMSSA-N 1 0 330.428 2.558 20 10 EFCDRO C[C@@H](Cc1ccccn1)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448171 1312694261 /nfs/dbraw/zinc/69/42/61/1312694261.db2.gz LQXLQMXXQFQHQI-OXJNMPFZSA-N 1 0 326.488 2.971 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCCC[C@](O)(CF)C2)c2ccccc2n1C ZINC001232401717 1312694494 /nfs/dbraw/zinc/69/44/94/1312694494.db2.gz CIJUJHKKHLNYQH-IBGZPJMESA-N 1 0 348.418 2.651 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCCn3ccnc32)N(C)C)cc1 ZINC000903448375 1312694632 /nfs/dbraw/zinc/69/46/32/1312694632.db2.gz ODSYWFHKIFHMKQ-MSOLQXFVSA-N 1 0 327.476 2.677 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CCCc3nn(C)cc32)N(C)C)cc1 ZINC000903448979 1312695315 /nfs/dbraw/zinc/69/53/15/1312695315.db2.gz UYGJEVCAKISKLU-AZUAARDMSA-N 1 0 341.503 2.756 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@@]3(CCO3)C2)c2ccccc2n1C ZINC001232406077 1312695530 /nfs/dbraw/zinc/69/55/30/1312695530.db2.gz SRSGPVVBQYZLFN-LJQANCHMSA-N 1 0 328.412 2.720 20 10 EFCDRO Oc1ccc([C@H](O)C[NH2+][C@@H]2CCc3c(Cl)cccc3C2)cc1O ZINC001171013363 1289266734 /nfs/dbraw/zinc/26/67/34/1289266734.db2.gz UADFPMRQFRCFCE-FZKQIMNGSA-N 1 0 333.815 2.932 20 10 EFCDRO COC(=O)c1c(CN2CCC[N@@H+]3CCC[C@@H]3C2)c2ccccc2n1C ZINC001232407342 1312695973 /nfs/dbraw/zinc/69/59/73/1312695973.db2.gz NKHQAPLMFCOYCZ-OAHLLOKOSA-N 1 0 341.455 2.635 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@H]2C(C)(C)O)c2ccccc2n1C ZINC001232405594 1312696024 /nfs/dbraw/zinc/69/60/24/1312696024.db2.gz NOZKLQSLECORPI-INIZCTEOSA-N 1 0 330.428 2.700 20 10 EFCDRO Cc1nccnc1[C@H](C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903449349 1312695989 /nfs/dbraw/zinc/69/59/89/1312695989.db2.gz XQDQARLHFPLOFQ-YJBOKZPZSA-N 1 0 327.476 2.805 20 10 EFCDRO CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903449023 1312696066 /nfs/dbraw/zinc/69/60/66/1312696066.db2.gz VLRDFLKBXNWCJG-PMACEKPBSA-N 1 0 343.519 2.866 20 10 EFCDRO CC[N@H+](Cc1c2ccccc2n(C)c1C(=O)OC)C1CCOCC1 ZINC001232407111 1312696052 /nfs/dbraw/zinc/69/60/52/1312696052.db2.gz KUJHUJUUANPIDA-UHFFFAOYSA-N 1 0 330.428 2.966 20 10 EFCDRO CC[N@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1O)C1CC1 ZINC000124228183 1289344286 /nfs/dbraw/zinc/34/42/86/1289344286.db2.gz BLKMPACFFHDHAS-UHFFFAOYSA-N 1 0 328.412 2.998 20 10 EFCDRO COc1cc(C[NH+]2CCC3(CCNC3=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000872788220 1289383619 /nfs/dbraw/zinc/38/36/19/1289383619.db2.gz MAVPVBNJTXJZLK-UHFFFAOYSA-N 1 0 346.471 2.800 20 10 EFCDRO COCCC[N@H+](CCO)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825628816 1289390203 /nfs/dbraw/zinc/39/02/03/1289390203.db2.gz JXNNRHZALRZLEQ-UHFFFAOYSA-N 1 0 325.449 2.529 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H]2COCCO2)cc1 ZINC000823676583 1289418765 /nfs/dbraw/zinc/41/87/65/1289418765.db2.gz DCFCCKFEIICDQI-KRWDZBQOSA-N 1 0 332.469 2.890 20 10 EFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CCCC34CCC4)cc2)CC1 ZINC000823851644 1289470409 /nfs/dbraw/zinc/47/04/09/1289470409.db2.gz UGAANLARZZWQSN-GOSISDBHSA-N 1 0 348.512 2.734 20 10 EFCDRO COCCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001180338954 1289490781 /nfs/dbraw/zinc/49/07/81/1289490781.db2.gz KUYBUGRYOSHLTR-OXQOHEQNSA-N 1 0 348.487 2.614 20 10 EFCDRO COc1ccc(CNC2CC[NH+](C(C)C)CC2)cc1Cn1cccn1 ZINC000873009636 1289516319 /nfs/dbraw/zinc/51/63/19/1289516319.db2.gz PUIIUPGNSSTNDQ-UHFFFAOYSA-N 1 0 342.487 2.902 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](C)N2CCCCC2)cc1Cn1cccn1 ZINC000873022175 1289525560 /nfs/dbraw/zinc/52/55/60/1289525560.db2.gz SFLDCCUNVSBDKL-KRWDZBQOSA-N 1 0 342.487 2.904 20 10 EFCDRO CC[N@H+](CCNCc1ccc(OC)c(Cn2cccn2)c1)C(C)C ZINC000873036087 1289533600 /nfs/dbraw/zinc/53/36/00/1289533600.db2.gz SATNPARPRUMHLO-UHFFFAOYSA-N 1 0 330.476 2.760 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](O)C2CCCCC2)cc1Cn1cccn1 ZINC000873038399 1289534740 /nfs/dbraw/zinc/53/47/40/1289534740.db2.gz QQLPCUDTWJQVOW-LJQANCHMSA-N 1 0 343.471 2.971 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](O)CC(C)(C)C)cc1Cn1cccn1 ZINC000873053796 1289542068 /nfs/dbraw/zinc/54/20/68/1289542068.db2.gz NMTMMPKFIHNVKN-KRWDZBQOSA-N 1 0 331.460 2.827 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1Cn1cccn1 ZINC000873060570 1289545390 /nfs/dbraw/zinc/54/53/90/1289545390.db2.gz JHOLGUYUMXJXQW-BHIYHBOVSA-N 1 0 341.455 2.843 20 10 EFCDRO COc1ccc(C[NH2+]CCNc2ccccn2)cc1Cn1cccn1 ZINC000873060216 1289545629 /nfs/dbraw/zinc/54/56/29/1289545629.db2.gz FMBJKVAXMUGNOL-UHFFFAOYSA-N 1 0 337.427 2.537 20 10 EFCDRO COc1ccc(C[NH2+]CCN2CCC[C@@H]2C)cc1Cn1cccn1 ZINC000873066168 1289548613 /nfs/dbraw/zinc/54/86/13/1289548613.db2.gz ZOHYBHYLHUXUJX-INIZCTEOSA-N 1 0 328.460 2.514 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)cc1Cn1cccn1 ZINC000873076197 1289555614 /nfs/dbraw/zinc/55/56/14/1289555614.db2.gz AMZRRYYEUWZXMY-KXBFYZLASA-N 1 0 340.471 2.512 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C2CCOCC2)cc1Cn1cccn1 ZINC000873078538 1289556304 /nfs/dbraw/zinc/55/63/04/1289556304.db2.gz OHZHLEHRFXFDEZ-HNNXBMFYSA-N 1 0 329.444 2.845 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1Cn1cccn1 ZINC000873078188 1289556990 /nfs/dbraw/zinc/55/69/90/1289556990.db2.gz JLAWBEBKVVOOGM-NSHGMRRFSA-N 1 0 341.455 2.987 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)cc1Cn1cccn1 ZINC000873077880 1289557091 /nfs/dbraw/zinc/55/70/91/1289557091.db2.gz AMTAJZKUKQLHRV-RZDIXWSQSA-N 1 0 329.444 2.581 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)cc1Cn1cccn1 ZINC000873079034 1289557097 /nfs/dbraw/zinc/55/70/97/1289557097.db2.gz BWVWUNVNYOAMGX-KRWDZBQOSA-N 1 0 337.427 2.830 20 10 EFCDRO CCCOc1ccc(C[NH2+]C[C@H]2CCCCS2(=O)=O)cc1C ZINC000873105272 1289570160 /nfs/dbraw/zinc/57/01/60/1289570160.db2.gz YFSXWIXLMMUXIV-MRXNPFEDSA-N 1 0 325.474 2.841 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@H]2CCOC[C@@H]2OCCOC)cc1C ZINC000873109179 1289572010 /nfs/dbraw/zinc/57/20/10/1289572010.db2.gz GDQXQPDJEVLYNH-HKUYNNGSSA-N 1 0 337.460 2.694 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCOC[C@@H]2C)cc1Cn1cccn1 ZINC000873126608 1289582408 /nfs/dbraw/zinc/58/24/08/1289582408.db2.gz VDQFVWOEMLAHOV-DOTOQJQBSA-N 1 0 329.444 2.702 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](OC)C2CC2)cc1Cn1cccn1 ZINC000873129748 1289585847 /nfs/dbraw/zinc/58/58/47/1289585847.db2.gz RNEQCNDAHSZTJH-AUUYWEPGSA-N 1 0 329.444 2.843 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@H](OC)C2CC2)cc1Cn1cccn1 ZINC000873129750 1289586059 /nfs/dbraw/zinc/58/60/59/1289586059.db2.gz RNEQCNDAHSZTJH-KUHUBIRLSA-N 1 0 329.444 2.843 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)[C@H](O)C(C)C ZINC000873132534 1289586916 /nfs/dbraw/zinc/58/69/16/1289586916.db2.gz WVXIQUCVMPPLTH-IEBWSBKVSA-N 1 0 331.460 2.825 20 10 EFCDRO CCOc1ccc(C[NH2+]CCn2ccc(C(F)(F)F)n2)c(O)c1 ZINC000873158114 1289609179 /nfs/dbraw/zinc/60/91/79/1289609179.db2.gz QVFBNIDSIPJUCF-UHFFFAOYSA-N 1 0 329.322 2.796 20 10 EFCDRO COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000873193880 1289632633 /nfs/dbraw/zinc/63/26/33/1289632633.db2.gz DUCVAYQUTQJLKL-VLIAUNLRSA-N 1 0 344.455 2.982 20 10 EFCDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CC12COC2 ZINC000824488955 1289666147 /nfs/dbraw/zinc/66/61/47/1289666147.db2.gz DCRCBWVGUCAQQT-QGZVFWFLSA-N 1 0 341.407 2.557 20 10 EFCDRO Cc1cc(O)c(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1C ZINC000824489739 1289667865 /nfs/dbraw/zinc/66/78/65/1289667865.db2.gz REIKQJGVOLLPHK-QLPKVWCKSA-N 1 0 332.444 2.964 20 10 EFCDRO O=[N+]([O-])c1cc(CN[C@]23CCC[C@H]2[NH2+]CC3)ccc1N1CCCCC1 ZINC000873232082 1289667830 /nfs/dbraw/zinc/66/78/30/1289667830.db2.gz VELVBNDOMGHDKU-MOPGFXCFSA-N 1 0 344.459 2.959 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1O ZINC000824509935 1289694554 /nfs/dbraw/zinc/69/45/54/1289694554.db2.gz QQPVGDNVNCGWEN-HNNXBMFYSA-N 1 0 339.794 2.887 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H](CC(C)C)OC)cc1C ZINC001166068706 1312726725 /nfs/dbraw/zinc/72/67/25/1312726725.db2.gz HSJVYTBVVPUBJQ-SFHVURJKSA-N 1 0 336.476 2.661 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](CC(C)C)OC)cc1C ZINC001166068704 1312726793 /nfs/dbraw/zinc/72/67/93/1312726793.db2.gz HSJVYTBVVPUBJQ-GOSISDBHSA-N 1 0 336.476 2.661 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNCc3cc(F)cnc3Cl)cc2)CC1 ZINC000824538176 1289708563 /nfs/dbraw/zinc/70/85/63/1289708563.db2.gz MONYQWUHZIQUCG-UHFFFAOYSA-N 1 0 348.853 2.916 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]C[C@H](C)CCCO)c1O ZINC000824602892 1289721960 /nfs/dbraw/zinc/72/19/60/1289721960.db2.gz GBLSNKNGGXBHQY-SNVBAGLBSA-N 1 0 332.238 2.662 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]C[C@@H](C)CCCO)c1O ZINC000824602891 1289722024 /nfs/dbraw/zinc/72/20/24/1289722024.db2.gz GBLSNKNGGXBHQY-JTQLQIEISA-N 1 0 332.238 2.662 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)COC(C)(C)C)C2)cc1C ZINC001182127752 1290080548 /nfs/dbraw/zinc/08/05/48/1290080548.db2.gz GGCGJLMVHBOODM-MRXNPFEDSA-N 1 0 334.460 2.509 20 10 EFCDRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000091530973 1290176226 /nfs/dbraw/zinc/17/62/26/1290176226.db2.gz ZLQUFPLFRAIYLK-GOSISDBHSA-N 1 0 331.504 2.829 20 10 EFCDRO CCCNC(=O)C1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000874100293 1290203806 /nfs/dbraw/zinc/20/38/06/1290203806.db2.gz JIFXDBBZCCEMPJ-UHFFFAOYSA-N 1 0 327.428 2.679 20 10 EFCDRO C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000874196979 1290225558 /nfs/dbraw/zinc/22/55/58/1290225558.db2.gz CDKLMBOUDYAQHR-INIZCTEOSA-N 1 0 347.503 2.678 20 10 EFCDRO CN1CCCc2cc(CNC(=O)[C@H]3CC[N@@H+]3C3CCCC3)ccc21 ZINC000874251488 1290236410 /nfs/dbraw/zinc/23/64/10/1290236410.db2.gz LJBFRTZHPMPTAJ-LJQANCHMSA-N 1 0 327.472 2.702 20 10 EFCDRO Cc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000875003800 1290439296 /nfs/dbraw/zinc/43/92/96/1290439296.db2.gz FXHKQCKCMGEXKT-GOSISDBHSA-N 1 0 339.439 2.774 20 10 EFCDRO COc1cccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c1O ZINC001203585568 1290449707 /nfs/dbraw/zinc/44/97/07/1290449707.db2.gz PKRXPLHXEPBIMB-UHFFFAOYSA-N 1 0 330.403 2.858 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)CCC[C@]1(O)C(F)(F)F ZINC001232833660 1312790326 /nfs/dbraw/zinc/79/03/26/1312790326.db2.gz CCYKCKHSWVESGA-BLLLJJGKSA-N 1 0 346.393 2.984 20 10 EFCDRO CC[N@H+](CCNC(=O)NCc1cc(C)ccc1O)CCC(F)(F)F ZINC000875530223 1290558812 /nfs/dbraw/zinc/55/88/12/1290558812.db2.gz JLTDFHWMTBCGCM-UHFFFAOYSA-N 1 0 347.381 2.774 20 10 EFCDRO CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(N(C)C)cc3O)CC[C@@H]21 ZINC001232837275 1312791672 /nfs/dbraw/zinc/79/16/72/1312791672.db2.gz CSOGYWDTNSWVCK-YJBOKZPZSA-N 1 0 345.487 2.537 20 10 EFCDRO COC[C@@H]1COCCC12CC[NH+](Cc1ccc(N(C)C)cc1O)CC2 ZINC001232837501 1312791685 /nfs/dbraw/zinc/79/16/85/1312791685.db2.gz JQJFYNSVEGNWRI-QGZVFWFLSA-N 1 0 348.487 2.723 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCc3cc4c(cc3C2)OCO4)c(O)c1 ZINC001232836580 1312791790 /nfs/dbraw/zinc/79/17/90/1312791790.db2.gz QHQHINXFFURZTO-UHFFFAOYSA-N 1 0 326.396 2.745 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c(O)c1 ZINC001232837722 1312792234 /nfs/dbraw/zinc/79/22/34/1312792234.db2.gz AONVKJLSOIIPRE-RBUKOAKNSA-N 1 0 326.440 2.636 20 10 EFCDRO CN(C)c1ccc(CN2CC(Oc3ccc(F)c(F)c3)C2)c(O)c1 ZINC001232839841 1312792249 /nfs/dbraw/zinc/79/22/49/1312792249.db2.gz XFRJLUFNPKDIHL-UHFFFAOYSA-N 1 0 334.366 3.000 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)c(O)c1 ZINC001232838770 1312792278 /nfs/dbraw/zinc/79/22/78/1312792278.db2.gz IZIXGAPLLOCOLQ-INIZCTEOSA-N 1 0 349.475 2.947 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001232838629 1312792459 /nfs/dbraw/zinc/79/24/59/1312792459.db2.gz HVRNVSZPLFAPCH-AZUAARDMSA-N 1 0 346.471 2.618 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCN(c3cccc(F)c3)CC2)c(O)c1 ZINC001232841442 1312792946 /nfs/dbraw/zinc/79/29/46/1312792946.db2.gz GOYQEASNAYYKNZ-UHFFFAOYSA-N 1 0 329.419 2.920 20 10 EFCDRO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232841216 1312793058 /nfs/dbraw/zinc/79/30/58/1312793058.db2.gz YOUKEKQGCBVZKM-OWQGQXMQSA-N 1 0 332.444 2.622 20 10 EFCDRO CCc1nc(C2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)no1 ZINC001232840653 1312793132 /nfs/dbraw/zinc/79/31/32/1312793132.db2.gz FLAGEWJHYPINCU-UHFFFAOYSA-N 1 0 330.432 2.783 20 10 EFCDRO CCC[N@H+](Cc1ccc(N(C)C)cc1O)C1CCN(C(C)=O)CC1 ZINC001232840221 1312793361 /nfs/dbraw/zinc/79/33/61/1312793361.db2.gz PQSAYQQRAMXPLD-UHFFFAOYSA-N 1 0 333.476 2.681 20 10 EFCDRO CN(C)c1ccc(CN2CC[C@H]([NH+]3CCCCC3)[C@@H](F)C2)c(O)c1 ZINC001232841995 1312793764 /nfs/dbraw/zinc/79/37/64/1312793764.db2.gz GXAIRJNRAAEPEZ-ROUUACIJSA-N 1 0 335.467 2.857 20 10 EFCDRO COc1cccnc1O[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232842019 1312794258 /nfs/dbraw/zinc/79/42/58/1312794258.db2.gz XALQGWFUCOPDPV-MRXNPFEDSA-N 1 0 343.427 2.515 20 10 EFCDRO c1cc(N2CCCCC2)ccc1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000092217887 1290665304 /nfs/dbraw/zinc/66/53/04/1290665304.db2.gz YUQARXLFBFMGBV-NRFANRHFSA-N 1 0 343.515 2.974 20 10 EFCDRO COc1ccc(C[NH+]2CCC(Oc3ccc(Cl)nn3)CC2)c(O)c1 ZINC001203634650 1290901419 /nfs/dbraw/zinc/90/14/19/1290901419.db2.gz PLXXKNGLRKEODF-UHFFFAOYSA-N 1 0 349.818 2.888 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)[C@H]([NH3+])Cc1cccc(OC)c1 ZINC000876632653 1290960784 /nfs/dbraw/zinc/96/07/84/1290960784.db2.gz MHCOCBBFYWQVED-GOSISDBHSA-N 1 0 342.439 2.709 20 10 EFCDRO C[N@H+](Cc1ccc(I)cc1O)[C@@H]1CCCOC1 ZINC001232978180 1312823923 /nfs/dbraw/zinc/82/39/23/1312823923.db2.gz ZGIBJUXQQOJHQI-GFCCVEGCSA-N 1 0 347.196 2.608 20 10 EFCDRO Oc1cc(I)ccc1C[N@@H+]1CCC2(CC2)C1 ZINC001232976699 1312823976 /nfs/dbraw/zinc/82/39/76/1312823976.db2.gz SRZHJWJPPOKKPA-UHFFFAOYSA-N 1 0 329.181 2.983 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]([NH3+])c2cccc(OC)c2)cc1 ZINC000876728371 1290991772 /nfs/dbraw/zinc/99/17/72/1290991772.db2.gz KFZXTYLTAQYTHU-IBGZPJMESA-N 1 0 341.455 2.858 20 10 EFCDRO Cc1cccc(C[N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000876763860 1291011044 /nfs/dbraw/zinc/01/10/44/1291011044.db2.gz PYYPJLFUPLWGAD-UHFFFAOYSA-N 1 0 325.456 2.983 20 10 EFCDRO CC[NH+](CC)C[C@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876771810 1291015858 /nfs/dbraw/zinc/01/58/58/1291015858.db2.gz ZLNJIFNCADCROQ-LJQANCHMSA-N 1 0 345.531 2.811 20 10 EFCDRO CCOc1ccnc(N2CCC[N@H+](Cc3c(C)cccc3O)CC2)n1 ZINC000876808867 1291029176 /nfs/dbraw/zinc/02/91/76/1291029176.db2.gz VBPNOJVGYKUGBG-UHFFFAOYSA-N 1 0 342.443 2.602 20 10 EFCDRO CN(C)[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccco1 ZINC000876890998 1291060497 /nfs/dbraw/zinc/06/04/97/1291060497.db2.gz NNXQZWXQWVSCLG-IBGZPJMESA-N 1 0 343.471 2.633 20 10 EFCDRO CN(C)C1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCC1 ZINC000876900019 1291064307 /nfs/dbraw/zinc/06/43/07/1291064307.db2.gz UHOBEZZRVQXFMU-UHFFFAOYSA-N 1 0 331.504 2.612 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CS[C@@H](C)C3)CC2)cc1 ZINC000876900807 1291064684 /nfs/dbraw/zinc/06/46/84/1291064684.db2.gz RJNCFUCXCPQKBZ-DLBZAZTESA-N 1 0 349.544 2.691 20 10 EFCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000876904824 1291067179 /nfs/dbraw/zinc/06/71/79/1291067179.db2.gz LLPZGNAZMBUPHN-GOSISDBHSA-N 1 0 326.440 2.691 20 10 EFCDRO Cc1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)c(O)c1 ZINC000876904835 1291067918 /nfs/dbraw/zinc/06/79/18/1291067918.db2.gz LSDLAJWHMBETNS-IBGZPJMESA-N 1 0 326.440 2.691 20 10 EFCDRO Cc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)c(O)c1 ZINC000876904836 1291068024 /nfs/dbraw/zinc/06/80/24/1291068024.db2.gz LSDLAJWHMBETNS-LJQANCHMSA-N 1 0 326.440 2.691 20 10 EFCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000876950343 1291083254 /nfs/dbraw/zinc/08/32/54/1291083254.db2.gz KXIPUAFYVIJZKZ-AWEZNQCLSA-N 1 0 348.468 2.802 20 10 EFCDRO CO[C@@](C)(C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CC1 ZINC000876966005 1291090148 /nfs/dbraw/zinc/09/01/48/1291090148.db2.gz OLGAOXOOYFAJPD-FQEVSTJZSA-N 1 0 332.488 2.800 20 10 EFCDRO OCC1CCN(c2ccc(C[NH2+]Cc3ccc(Cl)nn3)cc2)CC1 ZINC000876966658 1291090280 /nfs/dbraw/zinc/09/02/80/1291090280.db2.gz YHQFUHRFBDPBLS-UHFFFAOYSA-N 1 0 346.862 2.629 20 10 EFCDRO CCOC(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)[nH]1 ZINC000876986592 1291098799 /nfs/dbraw/zinc/09/87/99/1291098799.db2.gz GWWMMLWOCGAXSC-UHFFFAOYSA-N 1 0 327.428 2.864 20 10 EFCDRO C[N@@H+](Cc1ccc(Br)cc1O)C[C@H](O)C(F)(F)F ZINC000825928360 1291102643 /nfs/dbraw/zinc/10/26/43/1291102643.db2.gz SFUZZIFFVDQMMZ-JTQLQIEISA-N 1 0 328.128 2.510 20 10 EFCDRO C[N@@H+](Cc1ccc(Br)cc1O)C[C@@H](O)C(F)(F)F ZINC000825928361 1291102701 /nfs/dbraw/zinc/10/27/01/1291102701.db2.gz SFUZZIFFVDQMMZ-SNVBAGLBSA-N 1 0 328.128 2.510 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H](C)C[C@H]3CCCC(=O)N3)CC2)cc1 ZINC000876999872 1291103148 /nfs/dbraw/zinc/10/31/48/1291103148.db2.gz ZXNZUVZRGXGYTB-NVXWUHKLSA-N 1 0 345.487 2.701 20 10 EFCDRO Cc1ccc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c(O)c1 ZINC000877003582 1291104264 /nfs/dbraw/zinc/10/42/64/1291104264.db2.gz XGZMVMHBOBSFQI-CQSZACIVSA-N 1 0 348.468 2.802 20 10 EFCDRO Oc1cc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)cc(O)c1O ZINC001233013150 1312831986 /nfs/dbraw/zinc/83/19/86/1312831986.db2.gz MYNNINZNZZONDQ-SJORKVTESA-N 1 0 340.423 2.510 20 10 EFCDRO OCC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccs1 ZINC000877050284 1291116663 /nfs/dbraw/zinc/11/66/63/1291116663.db2.gz KTMCHKOVVKTPNE-SFHVURJKSA-N 1 0 346.496 2.923 20 10 EFCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000877064418 1291122899 /nfs/dbraw/zinc/12/28/99/1291122899.db2.gz SMIYOCWPPVWBNP-ZHALLVOQSA-N 1 0 336.435 2.947 20 10 EFCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000877064415 1291123080 /nfs/dbraw/zinc/12/30/80/1291123080.db2.gz SMIYOCWPPVWBNP-AOIWGVFYSA-N 1 0 336.435 2.947 20 10 EFCDRO COC(=O)C1([N@H+](C)Cc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000093359745 1291130162 /nfs/dbraw/zinc/13/01/62/1291130162.db2.gz HWHZHEALHBUBGF-UHFFFAOYSA-N 1 0 346.471 2.831 20 10 EFCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)CC(C)C ZINC000877145465 1291145920 /nfs/dbraw/zinc/14/59/20/1291145920.db2.gz ICPYOQSXZVZCLS-MJGOQNOKSA-N 1 0 347.503 2.539 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000126385784 1291153239 /nfs/dbraw/zinc/15/32/39/1291153239.db2.gz IFRXNOINBRBMBJ-CQSZACIVSA-N 1 0 345.418 2.917 20 10 EFCDRO CN(C)c1cc[nH+]c(NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000877306673 1291188862 /nfs/dbraw/zinc/18/88/62/1291188862.db2.gz WTGLXUDPPDCWDF-UHFFFAOYSA-N 1 0 326.444 2.721 20 10 EFCDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000795685923 1291197047 /nfs/dbraw/zinc/19/70/47/1291197047.db2.gz CVJWBRUVUFWOPV-OAHLLOKOSA-N 1 0 347.333 2.637 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](C2CC2)O1 ZINC000877486928 1291246152 /nfs/dbraw/zinc/24/61/52/1291246152.db2.gz OESBUMDFACNYDK-MGPUTAFESA-N 1 0 330.472 2.647 20 10 EFCDRO OC[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)CC1CCCC1 ZINC000877497571 1291249764 /nfs/dbraw/zinc/24/97/64/1291249764.db2.gz UCKLCILVCMPMAM-IBGZPJMESA-N 1 0 346.515 2.926 20 10 EFCDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877519330 1291256883 /nfs/dbraw/zinc/25/68/83/1291256883.db2.gz XNZIQRATABMMHM-FXAWDEMLSA-N 1 0 343.515 2.706 20 10 EFCDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877519332 1291257382 /nfs/dbraw/zinc/25/73/82/1291257382.db2.gz XNZIQRATABMMHM-PXNSSMCTSA-N 1 0 343.515 2.706 20 10 EFCDRO Cc1nccn1CCC[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877527973 1291259796 /nfs/dbraw/zinc/25/97/96/1291259796.db2.gz PVJHQMMRQSGOBN-UHFFFAOYSA-N 1 0 342.487 2.675 20 10 EFCDRO C[N@H+](Cc1ccc(O)cc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877528245 1291262022 /nfs/dbraw/zinc/26/20/22/1291262022.db2.gz WOIZNVBTFKZFEY-UHFFFAOYSA-N 1 0 326.440 2.985 20 10 EFCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1(CO)CCC1 ZINC000877544272 1291267731 /nfs/dbraw/zinc/26/77/31/1291267731.db2.gz UNFROFNGTWFOSR-HXUWFJFHSA-N 1 0 346.515 2.925 20 10 EFCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(=O)OC(C)(C)C ZINC000877618412 1291293865 /nfs/dbraw/zinc/29/38/65/1291293865.db2.gz SMTJACIYXNERNS-HNNXBMFYSA-N 1 0 348.487 2.715 20 10 EFCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(O)c1 ZINC000877637009 1291301848 /nfs/dbraw/zinc/30/18/48/1291301848.db2.gz MXEMGDKDIXHLJR-UHFFFAOYSA-N 1 0 326.440 2.952 20 10 EFCDRO CC(C)=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001188252157 1291355516 /nfs/dbraw/zinc/35/55/16/1291355516.db2.gz YUHVTMVAWRNFKP-OAHLLOKOSA-N 1 0 329.404 2.619 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CCNC3=O)CC2)cc1F ZINC000877782782 1291376510 /nfs/dbraw/zinc/37/65/10/1291376510.db2.gz OCBLPEOGAPPTQD-UHFFFAOYSA-N 1 0 333.451 2.774 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000877901756 1291408796 /nfs/dbraw/zinc/40/87/96/1291408796.db2.gz UIPXTPJSWVHEPN-UHFFFAOYSA-N 1 0 342.418 2.899 20 10 EFCDRO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC001233111822 1312856741 /nfs/dbraw/zinc/85/67/41/1312856741.db2.gz ZQXSASVCZRRNFN-AWEZNQCLSA-N 1 0 341.249 2.516 20 10 EFCDRO Cc1cc(Br)cc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1O ZINC001233109893 1312856768 /nfs/dbraw/zinc/85/67/68/1312856768.db2.gz LJJJNTMKTXXEHU-SMDDNHRTSA-N 1 0 325.250 2.599 20 10 EFCDRO Cc1cc(O)c(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)cc1Cl ZINC000826024332 1291516251 /nfs/dbraw/zinc/51/62/51/1291516251.db2.gz ZFERTTRTNFBFIW-IAGOWNOFSA-N 1 0 325.836 2.764 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)Cc2cnn(C)c2)cc1Br ZINC001233134796 1312863231 /nfs/dbraw/zinc/86/32/31/1312863231.db2.gz DWBIMXHFLFHUEI-UHFFFAOYSA-N 1 0 340.221 2.529 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(C)(O)CC2)cc1Br ZINC001233134791 1312863566 /nfs/dbraw/zinc/86/35/66/1312863566.db2.gz DQVTUERUPCYHFN-UHFFFAOYSA-N 1 0 330.222 2.510 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC3(CCO3)CC2)cc1Br ZINC001233140241 1312864387 /nfs/dbraw/zinc/86/43/87/1312864387.db2.gz AOTOGCMZBUVOEQ-UHFFFAOYSA-N 1 0 342.233 2.918 20 10 EFCDRO CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C1C[NH+](CCC2CC2)C1 ZINC000957443015 1291572359 /nfs/dbraw/zinc/57/23/59/1291572359.db2.gz QBPYPESCYMTEFZ-UHFFFAOYSA-N 1 0 343.431 2.795 20 10 EFCDRO COc1cc(O)c(CN(C)Cc2ccon2)cc1Br ZINC001233140711 1312865209 /nfs/dbraw/zinc/86/52/09/1312865209.db2.gz SAZRBMYIVBZKBJ-UHFFFAOYSA-N 1 0 327.178 2.783 20 10 EFCDRO CCC1(O)CC[NH+](Cc2cc(Br)c(OC)cc2O)CC1 ZINC001233140812 1312865356 /nfs/dbraw/zinc/86/53/56/1312865356.db2.gz UODMSJISILGLJE-UHFFFAOYSA-N 1 0 344.249 2.900 20 10 EFCDRO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(Br)cc3O)C2)C1 ZINC000691680841 1291681776 /nfs/dbraw/zinc/68/17/76/1291681776.db2.gz VRRAQDPHBYGRNM-OAHLLOKOSA-N 1 0 325.250 2.682 20 10 EFCDRO Cc1cc(O)c(C[NH2+][C@@H](c2nccn2C)C(C)(C)CO)cc1Cl ZINC000826047732 1291703631 /nfs/dbraw/zinc/70/36/31/1291703631.db2.gz AMCXIWZWKRPZAI-HNNXBMFYSA-N 1 0 337.851 2.937 20 10 EFCDRO O=c1[nH]cc(Br)cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001233187464 1312875214 /nfs/dbraw/zinc/87/52/14/1312875214.db2.gz CMWARCHMCMDZDB-UHFFFAOYSA-N 1 0 335.201 2.814 20 10 EFCDRO Cc1cc(C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1N(C)C ZINC000878870267 1291836477 /nfs/dbraw/zinc/83/64/77/1291836477.db2.gz XNNLBCLROAFUSF-OALUTQOASA-N 1 0 332.488 2.861 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccsc3)cc2)CC1 ZINC000878910981 1291861886 /nfs/dbraw/zinc/86/18/86/1291861886.db2.gz CLZUHNIWPQHHNU-UHFFFAOYSA-N 1 0 330.457 2.822 20 10 EFCDRO COc1cccc(O)c1C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000796029034 1291888389 /nfs/dbraw/zinc/88/83/89/1291888389.db2.gz HTLCVLHWYKLEIN-OKILXGFUSA-N 1 0 348.443 2.700 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)c2ccccc2n1C ZINC001233270098 1312889201 /nfs/dbraw/zinc/88/92/01/1312889201.db2.gz ACVOHGLZIAZCOL-XOBRGWDASA-N 1 0 344.455 2.948 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c2ccccc2n1C ZINC001233270256 1312889832 /nfs/dbraw/zinc/88/98/32/1312889832.db2.gz GQPSHZPPKWJXBY-DYVFJYSZSA-N 1 0 330.428 2.558 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@](C)(CO)C2)c2ccccc2n1C ZINC001233270430 1312890079 /nfs/dbraw/zinc/89/00/79/1312890079.db2.gz NMDKQNZSJRLRKI-IBGZPJMESA-N 1 0 330.428 2.559 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)c2ccccc2n1C ZINC001233270233 1312890130 /nfs/dbraw/zinc/89/01/30/1312890130.db2.gz FZTULVVWCXLZFH-KSSFIOAISA-N 1 0 344.455 2.948 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@H]3OCC[C@H]32)c2ccccc2n1C ZINC001233271122 1312890605 /nfs/dbraw/zinc/89/06/05/1312890605.db2.gz NGCMEVCQHGUZNG-IAGOWNOFSA-N 1 0 328.412 2.718 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@H](O)C[C@H]2C)c2ccccc2n1C ZINC001233272538 1312890728 /nfs/dbraw/zinc/89/07/28/1312890728.db2.gz PAMYJDRDEABXBM-KGLIPLIRSA-N 1 0 330.428 2.700 20 10 EFCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCC(N3CCOCC3=O)CC2)c1 ZINC001233287053 1312894983 /nfs/dbraw/zinc/89/49/83/1312894983.db2.gz UUWRIUNTCIRWKP-UHFFFAOYSA-N 1 0 346.471 2.513 20 10 EFCDRO C[N@H+](Cc1cc(C(C)(C)C)ccc1O)C1CCS(=O)(=O)CC1 ZINC001233286668 1312895062 /nfs/dbraw/zinc/89/50/62/1312895062.db2.gz DYXNHMLTCIXWAR-UHFFFAOYSA-N 1 0 325.474 2.699 20 10 EFCDRO COc1cc(Cl)cc(CN2CC3(C2)CC[N@H+](CC2CC2)C3)c1O ZINC001233288605 1312896007 /nfs/dbraw/zinc/89/60/07/1312896007.db2.gz QIYGHPPBLRTDER-UHFFFAOYSA-N 1 0 336.863 2.972 20 10 EFCDRO Cc1n[nH]c(C)c1-c1ccccc1C(=O)N(CC[NH3+])c1cccnc1 ZINC001190175460 1292042104 /nfs/dbraw/zinc/04/21/04/1292042104.db2.gz IORKQLAFEWAULB-UHFFFAOYSA-N 1 0 335.411 2.694 20 10 EFCDRO COc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)ccc1OCCO ZINC000127662165 1292073408 /nfs/dbraw/zinc/07/34/08/1292073408.db2.gz KMZXHLPGADSSHJ-OAHLLOKOSA-N 1 0 344.455 2.983 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)NCCc2ccccc2)c1 ZINC000775372507 1292102072 /nfs/dbraw/zinc/10/20/72/1292102072.db2.gz CRCZPVPGVBWCOK-HUUCEWRRSA-N 1 0 342.439 2.799 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCCc2ccc(F)cc2)c1 ZINC000775376345 1292124251 /nfs/dbraw/zinc/12/42/51/1292124251.db2.gz UGWICUKFIJFUFH-ZDUSSCGKSA-N 1 0 346.402 2.549 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(CC(F)(F)F)C(C)C)c1 ZINC000775376695 1292124473 /nfs/dbraw/zinc/12/44/73/1292124473.db2.gz YCAGHFVXDFKSHB-LLVKDONJSA-N 1 0 348.365 2.851 20 10 EFCDRO COc1ccc(N2CC[NH+](CCc3scnc3C)CC2)c(OC)c1 ZINC000879463526 1292146371 /nfs/dbraw/zinc/14/63/71/1292146371.db2.gz ZQKKFKJRFWMKSM-UHFFFAOYSA-N 1 0 347.484 2.833 20 10 EFCDRO C[C@@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1ccccc1O ZINC000879648666 1292219080 /nfs/dbraw/zinc/21/90/80/1292219080.db2.gz YMXHAUZPTCJKGQ-CYBMUJFWSA-N 1 0 335.425 2.525 20 10 EFCDRO COc1ccc(COC[C@H](O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879650069 1292220607 /nfs/dbraw/zinc/22/06/07/1292220607.db2.gz ZSSXMAORZXJCPK-GDBMZVCRSA-N 1 0 331.412 2.629 20 10 EFCDRO COCCC[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233454339 1312934724 /nfs/dbraw/zinc/93/47/24/1312934724.db2.gz QOPYVDKVRYKUAP-UHFFFAOYSA-N 1 0 332.366 2.565 20 10 EFCDRO CN(C)C(=O)NC1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233455248 1312935975 /nfs/dbraw/zinc/93/59/75/1312935975.db2.gz CGNGYNCCVVDFTJ-UHFFFAOYSA-N 1 0 345.365 2.647 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)cc1O ZINC001233485454 1312939455 /nfs/dbraw/zinc/93/94/55/1312939455.db2.gz WKRGMKUYOANXND-GFCCVEGCSA-N 1 0 337.322 2.735 20 10 EFCDRO CCOc1cccc(N2CC[NH+](Cc3cc(O)c(O)cc3O)CC2)c1 ZINC001233486202 1312940105 /nfs/dbraw/zinc/94/01/05/1312940105.db2.gz CMROECAXRBDEFL-UHFFFAOYSA-N 1 0 344.411 2.524 20 10 EFCDRO Oc1cc(O)c(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1O ZINC001233487191 1312940112 /nfs/dbraw/zinc/94/01/12/1312940112.db2.gz UEDABFAPYJOJRH-DOTOQJQBSA-N 1 0 340.423 2.510 20 10 EFCDRO Oc1cc(O)c(CN2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)cc1O ZINC001233485609 1312940549 /nfs/dbraw/zinc/94/05/49/1312940549.db2.gz CYOXBNCNAAANRE-RDJZCZTQSA-N 1 0 340.423 2.510 20 10 EFCDRO [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001205570361 1292631282 /nfs/dbraw/zinc/63/12/82/1292631282.db2.gz JBJNHUNFLPTAOV-CQSZACIVSA-N 1 0 349.219 2.947 20 10 EFCDRO CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233487061 1312940740 /nfs/dbraw/zinc/94/07/40/1312940740.db2.gz NVUKKVFXKIBBCZ-CQSZACIVSA-N 1 0 349.427 2.749 20 10 EFCDRO C[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cc(O)c(O)cc1O ZINC001233487146 1312940822 /nfs/dbraw/zinc/94/08/22/1312940822.db2.gz RXHZNJIPGUGNOQ-UHFFFAOYSA-N 1 0 325.368 2.621 20 10 EFCDRO COc1ccc(O)c(C[NH2+]CCCn2cc(Br)cn2)c1 ZINC000380231689 1292649736 /nfs/dbraw/zinc/64/97/36/1292649736.db2.gz LVQPKVJRJIYZNU-UHFFFAOYSA-N 1 0 340.221 2.540 20 10 EFCDRO CC[C@H]([NH2+]Cc1cccc(OCC(=O)NC)c1)c1ccccc1O ZINC000775491256 1292695746 /nfs/dbraw/zinc/69/57/46/1292695746.db2.gz GQDIQHJEVRPUCT-KRWDZBQOSA-N 1 0 328.412 2.758 20 10 EFCDRO CC[C@H]([NH3+])c1cn(CC(=O)c2cc(C)n(-c3ccccc3)c2C)nn1 ZINC000880981747 1292709353 /nfs/dbraw/zinc/70/93/53/1292709353.db2.gz CJIRBNCXDCITRT-KRWDZBQOSA-N 1 0 337.427 2.978 20 10 EFCDRO C[NH2+]Cc1cn(CC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)nn1 ZINC000881228533 1292792122 /nfs/dbraw/zinc/79/21/22/1292792122.db2.gz XHTNLRVTABRZLC-UHFFFAOYSA-N 1 0 337.427 2.596 20 10 EFCDRO Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccccc2O)cs1 ZINC001203552670 1312953929 /nfs/dbraw/zinc/95/39/29/1312953929.db2.gz PTYMSKLRVPBPCR-JKSUJKDBSA-N 1 0 343.452 2.533 20 10 EFCDRO CC(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@H+](Cc3ccccc3O)C2)O1 ZINC001203552586 1312954036 /nfs/dbraw/zinc/95/40/36/1312954036.db2.gz ONSHDHCDJHSIIH-YLJYHZDGSA-N 1 0 346.471 2.678 20 10 EFCDRO [NH3+]C[C@]1(F)CCC[N@H+](Cc2c([O-])cc(Br)cc2F)CC1 ZINC001205580181 1292807147 /nfs/dbraw/zinc/80/71/47/1292807147.db2.gz RBMBYGRRMDKTMK-AWEZNQCLSA-N 1 0 349.219 2.947 20 10 EFCDRO Oc1ccccc1C[NH+]1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC001203551480 1312954152 /nfs/dbraw/zinc/95/41/52/1312954152.db2.gz FIZLNFXUMMUPJM-SFHVURJKSA-N 1 0 340.423 2.990 20 10 EFCDRO O=C(c1ccsc1)N1C[C@@H]2C[NH+](Cc3ccccc3O)C[C@H]2C1 ZINC001203552695 1312954361 /nfs/dbraw/zinc/95/43/61/1312954361.db2.gz QSBYSPUYSFNZCH-HOTGVXAUSA-N 1 0 328.437 2.658 20 10 EFCDRO CCOC(=O)C1CCN(C2CC[NH+](Cc3ccccc3O)CC2)CC1 ZINC001203551514 1312954641 /nfs/dbraw/zinc/95/46/41/1312954641.db2.gz GNIDWULMVHTVJS-UHFFFAOYSA-N 1 0 346.471 2.632 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001203552928 1312955113 /nfs/dbraw/zinc/95/51/13/1312955113.db2.gz VQTYCCBTSRFULD-PKOBYXMFSA-N 1 0 342.414 2.869 20 10 EFCDRO O=C1NC[C@@H](c2ccccc2)C12CC[NH+](Cc1ccccc1O)CC2 ZINC001203552991 1312955129 /nfs/dbraw/zinc/95/51/29/1312955129.db2.gz XRGWOIIUTOFJGO-SFHVURJKSA-N 1 0 336.435 2.888 20 10 EFCDRO COCCOc1ccc(N2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC001203561566 1312956112 /nfs/dbraw/zinc/95/61/12/1312956112.db2.gz WENZPOFJPGBZBE-UHFFFAOYSA-N 1 0 342.439 2.740 20 10 EFCDRO CN(C)Cc1cnc(C[NH2+]CCCSc2nccs2)s1 ZINC000796311661 1292860349 /nfs/dbraw/zinc/86/03/49/1292860349.db2.gz YSQFEDRMITVDIQ-UHFFFAOYSA-N 1 0 328.532 2.933 20 10 EFCDRO COc1ccc(CC[N@@H+](Cc2cccc(OC)c2O)C[C@@H](C)O)cc1 ZINC001203585756 1312963292 /nfs/dbraw/zinc/96/32/92/1312963292.db2.gz TWRTWVALWHQDGI-OAHLLOKOSA-N 1 0 345.439 2.835 20 10 EFCDRO COc1cccc(CN2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)c1O ZINC001203589671 1312964664 /nfs/dbraw/zinc/96/46/64/1312964664.db2.gz KPMCQOORVJNTNZ-OKILXGFUSA-N 1 0 334.416 2.594 20 10 EFCDRO COC[C@@H]1COCCC12CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC001203593377 1312965265 /nfs/dbraw/zinc/96/52/65/1312965265.db2.gz LSZITFWWWSZNOZ-MRXNPFEDSA-N 1 0 335.444 2.666 20 10 EFCDRO CCOc1cccc(CN2CCC([N@H+](CC)[C@H]3CCOC3)CC2)c1O ZINC001203613918 1312971198 /nfs/dbraw/zinc/97/11/98/1312971198.db2.gz JXOYSJRCQMKEPD-SFHVURJKSA-N 1 0 348.487 2.866 20 10 EFCDRO COc1cccc(C[NH+]2CCC(Oc3ncncc3C)CC2)c1O ZINC001203601727 1312967699 /nfs/dbraw/zinc/96/76/99/1312967699.db2.gz INSUFSNEATZXQP-UHFFFAOYSA-N 1 0 329.400 2.543 20 10 EFCDRO CCOc1cccc(C[NH+]2CCN(c3cccc(C)n3)CC2)c1O ZINC001203602140 1312967870 /nfs/dbraw/zinc/96/78/70/1312967870.db2.gz DFVWKXFIQMSGTB-UHFFFAOYSA-N 1 0 327.428 2.817 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@@H](Oc3nccnc3C)C2)c1O ZINC001203601885 1312968032 /nfs/dbraw/zinc/96/80/32/1312968032.db2.gz PNEVTMRBOYJLHW-OAHLLOKOSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1cccc(O[C@H]2CCC[N@H+](Cc3cccc(OC)c3O)C2)n1 ZINC001203601961 1312968129 /nfs/dbraw/zinc/96/81/29/1312968129.db2.gz SWHIGXBHWORPHF-HNNXBMFYSA-N 1 0 344.411 2.848 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N(CC)CC)C2)c1O ZINC001203602245 1312968352 /nfs/dbraw/zinc/96/83/52/1312968352.db2.gz LEXHKZQSJAYVNY-MRXNPFEDSA-N 1 0 334.460 2.871 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)N(CC)CC)C2)c1O ZINC001203602244 1312968362 /nfs/dbraw/zinc/96/83/62/1312968362.db2.gz LEXHKZQSJAYVNY-INIZCTEOSA-N 1 0 334.460 2.871 20 10 EFCDRO CCOc1cccc(C[NH+]2CC(CNC(=O)OC(C)(C)C)C2)c1O ZINC001203602983 1312968409 /nfs/dbraw/zinc/96/84/09/1312968409.db2.gz DWDNEURGSNOQMC-UHFFFAOYSA-N 1 0 336.432 2.747 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2cccc(OCC)c2O)Cc2cn(C)nc21 ZINC001203608531 1312970321 /nfs/dbraw/zinc/97/03/21/1312970321.db2.gz SNLFVFWLZWIMNC-INIZCTEOSA-N 1 0 345.443 2.660 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc4cc[nH]c4c3)cc2)CC1 ZINC000881850531 1293028398 /nfs/dbraw/zinc/02/83/98/1293028398.db2.gz XRNNPKCEDNRSEX-UHFFFAOYSA-N 1 0 348.450 2.850 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H](F)c3ccccc3)cc2)CC1 ZINC000881852660 1293028522 /nfs/dbraw/zinc/02/85/22/1293028522.db2.gz YJARPCYMKBDXHC-IBGZPJMESA-N 1 0 341.430 2.765 20 10 EFCDRO Cc1ccc(F)c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000881851200 1293028539 /nfs/dbraw/zinc/02/85/39/1293028539.db2.gz FZQYHLRGKJLYQU-UHFFFAOYSA-N 1 0 341.430 2.816 20 10 EFCDRO Cc1cc(F)ccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851732 1293029019 /nfs/dbraw/zinc/02/90/19/1293029019.db2.gz ZTUOJFPAHIBZBS-UHFFFAOYSA-N 1 0 341.430 2.816 20 10 EFCDRO C[C@H]1CCC[C@@H]1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852046 1293029562 /nfs/dbraw/zinc/02/95/62/1293029562.db2.gz GRUMAQVDHZPZRC-FUHWJXTLSA-N 1 0 329.488 2.881 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@]3(CCCN3C(=O)C(C)C)C2)c1O ZINC001203593626 1312965974 /nfs/dbraw/zinc/96/59/74/1312965974.db2.gz OYOMOPRTCNLYGI-LJQANCHMSA-N 1 0 332.444 2.624 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)C3CCC3)cc2)CC1 ZINC000881853531 1293030993 /nfs/dbraw/zinc/03/09/93/1293030993.db2.gz ZCAGDGGCIWBESE-UHFFFAOYSA-N 1 0 329.488 2.881 20 10 EFCDRO C[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852879 1293031386 /nfs/dbraw/zinc/03/13/86/1293031386.db2.gz DWCAZXXGLZRDHP-APWZRJJASA-N 1 0 329.488 2.881 20 10 EFCDRO CCCC[C@](C)(F)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881854522 1293031406 /nfs/dbraw/zinc/03/14/06/1293031406.db2.gz FKUOSCUQEDOOTC-IBGZPJMESA-N 1 0 335.467 2.973 20 10 EFCDRO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cccc(OCC)c1O ZINC001203614588 1312971441 /nfs/dbraw/zinc/97/14/41/1312971441.db2.gz AHELHXJSUFHRBM-QRTARXTBSA-N 1 0 333.428 2.955 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](Oc3ncc(C)cn3)C2)c1O ZINC001203617595 1312972656 /nfs/dbraw/zinc/97/26/56/1312972656.db2.gz RBRMDEIPAWDDTN-INIZCTEOSA-N 1 0 343.427 2.933 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3nccnc3C)C2)c1O ZINC001203617135 1312972660 /nfs/dbraw/zinc/97/26/60/1312972660.db2.gz IZDQFMNGZPAWEI-OAHLLOKOSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1ccc(C[N@@H+]2CCCN(Cc3ccncc3)CC2)c(O)c1 ZINC001203621286 1312973390 /nfs/dbraw/zinc/97/33/90/1312973390.db2.gz RHXIGOLLZBNVNG-UHFFFAOYSA-N 1 0 327.428 2.504 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203622241 1312973564 /nfs/dbraw/zinc/97/35/64/1312973564.db2.gz VGHOETJBNHCYJY-LJQANCHMSA-N 1 0 348.443 2.986 20 10 EFCDRO COc1ccc(CN2CC3(C2)CC[N@H+](Cc2cccnc2)C3)c(O)c1 ZINC001203623518 1312973902 /nfs/dbraw/zinc/97/39/02/1312973902.db2.gz STUJWKNNEMEXPO-UHFFFAOYSA-N 1 0 339.439 2.504 20 10 EFCDRO COc1ccc(C[NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)c(O)c1 ZINC001203623242 1312974206 /nfs/dbraw/zinc/97/42/06/1312974206.db2.gz NQMDTHFPEXQGJO-SFHVURJKSA-N 1 0 347.455 2.951 20 10 EFCDRO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(OC)cc1O)C2 ZINC001203623626 1312974618 /nfs/dbraw/zinc/97/46/18/1312974618.db2.gz VJCORIAGXRQZLK-KXBFYZLASA-N 1 0 335.444 2.808 20 10 EFCDRO COc1ccc(C[NH+]2CCC(Oc3cccc(OC)n3)CC2)c(O)c1 ZINC001203635450 1312977524 /nfs/dbraw/zinc/97/75/24/1312977524.db2.gz VHUWNIXHSKVKFL-UHFFFAOYSA-N 1 0 344.411 2.848 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@H](Oc3ncncc3C)C2)c(O)c1 ZINC001203635440 1312977554 /nfs/dbraw/zinc/97/75/54/1312977554.db2.gz VBQAGFFEIFKBAO-INIZCTEOSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(OC)cc3O)C2)nc1 ZINC001203635160 1312977849 /nfs/dbraw/zinc/97/78/49/1312977849.db2.gz MABOLEPNYFCCKC-KRWDZBQOSA-N 1 0 344.411 2.848 20 10 EFCDRO C[N@@H+]1C[C@H]2CCCN(Cc3cc(Br)ccc3O)[C@@H]2C1 ZINC001203645796 1312979558 /nfs/dbraw/zinc/97/95/58/1312979558.db2.gz SPAHYRZBFUNKMD-BXUZGUMPSA-N 1 0 325.250 2.681 20 10 EFCDRO CC(=O)N1CCC([N@H+](C)Cc2cc(Br)ccc2O)CC1 ZINC001203645486 1312979953 /nfs/dbraw/zinc/97/99/53/1312979953.db2.gz KXYYENBKZDVRTK-UHFFFAOYSA-N 1 0 341.249 2.597 20 10 EFCDRO CC[NH+](CC)CCN1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC001203648586 1312979979 /nfs/dbraw/zinc/97/99/79/1312979979.db2.gz MTENEGGOYORLDR-UHFFFAOYSA-N 1 0 325.884 2.505 20 10 EFCDRO Cc1nc(CC[N@@H+](C)Cc2cccc(OC(F)(F)F)c2O)no1 ZINC001233737146 1312981757 /nfs/dbraw/zinc/98/17/57/1312981757.db2.gz XBXJFGSNHXVTBH-UHFFFAOYSA-N 1 0 331.294 2.657 20 10 EFCDRO C[C@H](C[NH+](C)C)NC(=O)c1csc(-c2ccc(N(C)C)cc2)n1 ZINC001193175297 1293181193 /nfs/dbraw/zinc/18/11/93/1293181193.db2.gz DBVXZKUMOMKEFL-GFCCVEGCSA-N 1 0 332.473 2.556 20 10 EFCDRO C[N@H+](CCC1CCOCC1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000129654485 1293199329 /nfs/dbraw/zinc/19/93/29/1293199329.db2.gz GJJFEMJWWXHCKR-UHFFFAOYSA-N 1 0 336.451 2.911 20 10 EFCDRO O=C(NC1CC[NH+](Cc2cc(Cl)ccc2O)CC1)N1CCCC1 ZINC001203664757 1312984227 /nfs/dbraw/zinc/98/42/27/1312984227.db2.gz VHSFCMZHMAOXOS-UHFFFAOYSA-N 1 0 337.851 2.815 20 10 EFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)N1CCCC1 ZINC001203665889 1312984485 /nfs/dbraw/zinc/98/44/85/1312984485.db2.gz ZSBHHSDKPKYDAA-OAHLLOKOSA-N 1 0 337.851 2.815 20 10 EFCDRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc(O)c(O)c2Cl)c1 ZINC001193236400 1293209603 /nfs/dbraw/zinc/20/96/03/1293209603.db2.gz BGTVXCFUFXRXFD-UHFFFAOYSA-N 1 0 334.803 2.743 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCCN3C(=O)C(C)C)C2)c1 ZINC001203674760 1312987146 /nfs/dbraw/zinc/98/71/46/1312987146.db2.gz APRDNSIFQHATID-IBGZPJMESA-N 1 0 332.444 2.624 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c1 ZINC001203671069 1312985683 /nfs/dbraw/zinc/98/56/83/1312985683.db2.gz IPTAEAPAQHYYFI-HOCLYGCPSA-N 1 0 348.443 2.842 20 10 EFCDRO COc1ccc(CC[N@@H+](Cc2cc(OC)ccc2O)C[C@@H](C)O)cc1 ZINC001203670376 1312985960 /nfs/dbraw/zinc/98/59/60/1312985960.db2.gz PWKWAWUSKBEFBS-OAHLLOKOSA-N 1 0 345.439 2.835 20 10 EFCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233761311 1312986062 /nfs/dbraw/zinc/98/60/62/1312986062.db2.gz REQVSJQRMNINGI-NSHDSACASA-N 1 0 333.306 2.676 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)Cc2cnn(CC)c21 ZINC001203671527 1312986016 /nfs/dbraw/zinc/98/60/16/1312986016.db2.gz QQWYFMXNKBLFSX-INIZCTEOSA-N 1 0 345.443 2.753 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1 ZINC001203671142 1312986026 /nfs/dbraw/zinc/98/60/26/1312986026.db2.gz KPNLFDXOTILVGZ-JKSUJKDBSA-N 1 0 348.443 2.985 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)c1 ZINC001203670390 1312986147 /nfs/dbraw/zinc/98/61/47/1312986147.db2.gz QJNKUWAMVKFMRV-GDBMZVCRSA-N 1 0 348.443 2.842 20 10 EFCDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233760581 1312986185 /nfs/dbraw/zinc/98/61/85/1312986185.db2.gz HYTVBIDVTKLJQD-ZYHUDNBSSA-N 1 0 347.333 2.922 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c1 ZINC001203673182 1312986287 /nfs/dbraw/zinc/98/62/87/1312986287.db2.gz PVWLBMYYYQBZMO-QXAKKESOSA-N 1 0 333.428 2.559 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC3(CCC(=O)N3CC3CC3)CC2)c1 ZINC001203672886 1312986541 /nfs/dbraw/zinc/98/65/41/1312986541.db2.gz HTHJKSAWFIRLQF-UHFFFAOYSA-N 1 0 344.455 2.768 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)c1 ZINC001203674826 1312987244 /nfs/dbraw/zinc/98/72/44/1312987244.db2.gz CUUXNNURPVVRSP-HXUWFJFHSA-N 1 0 338.407 2.521 20 10 EFCDRO C[N@H+](C1CC1)[C@H]1CCN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233768676 1312987877 /nfs/dbraw/zinc/98/78/77/1312987877.db2.gz WPWUJJBBSJTUSA-ZDUSSCGKSA-N 1 0 330.350 2.959 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](Oc3cccc(OC)n3)C2)c1 ZINC001203681375 1312989207 /nfs/dbraw/zinc/98/92/07/1312989207.db2.gz VKWHXVBMYAPAEY-INIZCTEOSA-N 1 0 344.411 2.848 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(Oc3ncncc3C)CC2)c1 ZINC001203681054 1312989252 /nfs/dbraw/zinc/98/92/52/1312989252.db2.gz NAKWCFOCGGBNKK-UHFFFAOYSA-N 1 0 329.400 2.543 20 10 EFCDRO Fc1cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)ccc1N1CCOCC1 ZINC000129973594 1293302798 /nfs/dbraw/zinc/30/27/98/1293302798.db2.gz AMQJAJWGFASALH-INIZCTEOSA-N 1 0 334.435 2.663 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3CCC[NH2+]C3)c2C)cc1 ZINC000130052831 1293311189 /nfs/dbraw/zinc/31/11/89/1293311189.db2.gz KVJRIAJVPAXNMT-MRXNPFEDSA-N 1 0 341.455 2.832 20 10 EFCDRO CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@H](C)C1 ZINC000883003158 1293424232 /nfs/dbraw/zinc/42/42/32/1293424232.db2.gz BCFAZLDMHLLXNW-CXAGYDPISA-N 1 0 342.430 2.897 20 10 EFCDRO CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@@H](C)C1 ZINC000883003161 1293424451 /nfs/dbraw/zinc/42/44/51/1293424451.db2.gz BCFAZLDMHLLXNW-SUMWQHHRSA-N 1 0 342.430 2.897 20 10 EFCDRO CCC[N@H+](CCNS(=O)(=O)c1ccccc1)Cc1ccccc1O ZINC000130729498 1293428155 /nfs/dbraw/zinc/42/81/55/1293428155.db2.gz TWSSXAAISSKQMZ-UHFFFAOYSA-N 1 0 348.468 2.583 20 10 EFCDRO C[C@H]1C[NH+](CCCC[NH2+]Cc2cc(F)cc(F)c2[O-])C[C@H](C)O1 ZINC000883015288 1293431178 /nfs/dbraw/zinc/43/11/78/1293431178.db2.gz OGQFEFAFIYJIEF-STQMWFEESA-N 1 0 328.403 2.649 20 10 EFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)OCC(C)C)CC2)cc1 ZINC001193852779 1293469089 /nfs/dbraw/zinc/46/90/89/1293469089.db2.gz SJDXOMYOUXMPSK-UHFFFAOYSA-N 1 0 349.475 2.590 20 10 EFCDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@H]1CCC2(CCOCC2)CO1 ZINC000883417191 1293584039 /nfs/dbraw/zinc/58/40/39/1293584039.db2.gz RCIJTZNLQRQBCU-GOSISDBHSA-N 1 0 330.472 2.874 20 10 EFCDRO Cc1cccc(C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000775644649 1293851156 /nfs/dbraw/zinc/85/11/56/1293851156.db2.gz QFTWHQOYMCUMCI-ZDUSSCGKSA-N 1 0 334.441 2.541 20 10 EFCDRO CNC(=O)c1ccc(C[N@H+](Cc2cc(OC)ccc2O)C2CC2)cc1 ZINC000775648945 1293876319 /nfs/dbraw/zinc/87/63/19/1293876319.db2.gz IABVOFOVWCMQMF-UHFFFAOYSA-N 1 0 340.423 2.925 20 10 EFCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000775649038 1293877232 /nfs/dbraw/zinc/87/72/32/1293877232.db2.gz ITGFMRFBVYYHBH-UHFFFAOYSA-N 1 0 340.423 2.925 20 10 EFCDRO CN(c1ccc(CNC(=O)NCC[NH+](C)C)cc1)C1CCCCC1 ZINC000133544959 1293918124 /nfs/dbraw/zinc/91/81/24/1293918124.db2.gz VFCUWHAJGSINNK-UHFFFAOYSA-N 1 0 332.492 2.816 20 10 EFCDRO COc1ccc(CC[N@@H+](Cc2ccc(O)c(O)c2)C[C@H](C)O)cc1 ZINC001203875911 1313038502 /nfs/dbraw/zinc/03/85/02/1313038502.db2.gz YWFYHOWXNHVTED-AWEZNQCLSA-N 1 0 331.412 2.532 20 10 EFCDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1ccc(O)c(O)c1)[C@H]2C ZINC001203877679 1313039184 /nfs/dbraw/zinc/03/91/84/1313039184.db2.gz VXMSVFVMOZQNCS-AWEZNQCLSA-N 1 0 344.459 2.711 20 10 EFCDRO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203877976 1313039236 /nfs/dbraw/zinc/03/92/36/1313039236.db2.gz MKLSJGKCTVHITA-AUUYWEPGSA-N 1 0 348.443 2.977 20 10 EFCDRO NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203879289 1313039804 /nfs/dbraw/zinc/03/98/04/1313039804.db2.gz HUJWBDFGMUMDQA-QFBILLFUSA-N 1 0 340.423 2.721 20 10 EFCDRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3Cc2ccc(O)c(O)c2)o1 ZINC001203878889 1313039988 /nfs/dbraw/zinc/03/99/88/1313039988.db2.gz XPKWTGIVKNVOAM-SJORKVTESA-N 1 0 328.412 2.848 20 10 EFCDRO Nc1ccc(Cc2nc(C(=O)OCCC[NH+]3CCCC3)cs2)cc1 ZINC000800198234 1293952727 /nfs/dbraw/zinc/95/27/27/1293952727.db2.gz OHCKLYGYVRWLNE-UHFFFAOYSA-N 1 0 345.468 2.959 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001203882897 1313040630 /nfs/dbraw/zinc/04/06/30/1313040630.db2.gz WMUPDVYDNVWFQH-HUUCEWRRSA-N 1 0 348.443 2.787 20 10 EFCDRO O=C(NC1CC[NH+](Cc2ccc(O)c(O)c2)CC1)C1CCCCC1 ZINC001203881856 1313040942 /nfs/dbraw/zinc/04/09/42/1313040942.db2.gz VHOIWUYHJDWONX-UHFFFAOYSA-N 1 0 332.444 2.759 20 10 EFCDRO CN(C)c1ccc(C[NH+]2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)cc1 ZINC001203932360 1313050761 /nfs/dbraw/zinc/05/07/61/1313050761.db2.gz ZKJAPGBYMZGBLB-IAGOWNOFSA-N 1 0 342.512 2.773 20 10 EFCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3CN(C(=O)c4ccccc4)C[C@H]3C2)cc1 ZINC001203931025 1313049523 /nfs/dbraw/zinc/04/95/23/1313049523.db2.gz LFJNXVWKVFRFJF-BGYRXZFFSA-N 1 0 349.478 2.957 20 10 EFCDRO CCN(C)c1ncnc2c1CC[N@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203932008 1313049537 /nfs/dbraw/zinc/04/95/37/1313049537.db2.gz OEKMFUHMINLMQU-UHFFFAOYSA-N 1 0 339.487 2.600 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)cc1 ZINC001203931923 1313049910 /nfs/dbraw/zinc/04/99/10/1313049910.db2.gz YQLIEVGOEJOGSJ-CABCVRRESA-N 1 0 334.357 2.980 20 10 EFCDRO CCn1ncc2c1[C@H](COC)C[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001203931209 1313049970 /nfs/dbraw/zinc/04/99/70/1313049970.db2.gz CZNWWJDRGPISPC-KRWDZBQOSA-N 1 0 328.460 2.715 20 10 EFCDRO CN(C)c1ccc(C[NH+]2C[C@@H]3CN(C(=O)c4ccccc4)C[C@H]3C2)cc1 ZINC001203931027 1313050217 /nfs/dbraw/zinc/05/02/17/1313050217.db2.gz LFJNXVWKVFRFJF-WOJBJXKFSA-N 1 0 349.478 2.957 20 10 EFCDRO CN(C)c1ccc(C[NH+]2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)cc1 ZINC001203932361 1313050407 /nfs/dbraw/zinc/05/04/07/1313050407.db2.gz ZKJAPGBYMZGBLB-IRXDYDNUSA-N 1 0 342.512 2.773 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccn3)C2)cc1 ZINC001203936482 1313051117 /nfs/dbraw/zinc/05/11/17/1313051117.db2.gz HCXXIARMCZBEPH-QGZVFWFLSA-N 1 0 338.455 2.542 20 10 EFCDRO COc1ccnc(O[C@@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203937173 1313051761 /nfs/dbraw/zinc/05/17/61/1313051761.db2.gz QUIOBZBTVGJSLX-QGZVFWFLSA-N 1 0 342.443 2.595 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)cc1 ZINC001203939005 1313051806 /nfs/dbraw/zinc/05/18/06/1313051806.db2.gz INPKXYFYTGCWTP-BWTSREIZSA-N 1 0 329.488 2.735 20 10 EFCDRO Cc1ccnc(OC2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC001203937553 1313051837 /nfs/dbraw/zinc/05/18/37/1313051837.db2.gz WLWQBKYEPYXJQC-UHFFFAOYSA-N 1 0 326.444 2.894 20 10 EFCDRO CCO[C@@H]1C[C@H]2CN(Cc3ccc(N(CC)CC)cc3)CC[N@@H+]2C1 ZINC001203940122 1313051967 /nfs/dbraw/zinc/05/19/67/1313051967.db2.gz VKBZEGGEFPIGKW-VQTJNVASSA-N 1 0 331.504 2.828 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCC(NC(=O)N(C)C)CC2)cc1 ZINC001203946819 1313052558 /nfs/dbraw/zinc/05/25/58/1313052558.db2.gz XPBOZCLMZQIKTD-UHFFFAOYSA-N 1 0 332.492 2.768 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCN(c3ncc(C)cn3)CC2)cc1 ZINC001203945302 1313052770 /nfs/dbraw/zinc/05/27/70/1313052770.db2.gz KJMBZMINKVMWOU-UHFFFAOYSA-N 1 0 339.487 2.953 20 10 EFCDRO COc1cc(O)c(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1OC ZINC000775716522 1294242268 /nfs/dbraw/zinc/24/22/68/1294242268.db2.gz XISKBADTQRGULB-UHFFFAOYSA-N 1 0 339.395 2.885 20 10 EFCDRO COC[C@H](C)CC(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001203148333 1294269877 /nfs/dbraw/zinc/26/98/77/1294269877.db2.gz QPHZXDFAQCXUKD-OAHLLOKOSA-N 1 0 348.487 2.757 20 10 EFCDRO COC[C@@H](C)CC(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001203148332 1294269906 /nfs/dbraw/zinc/26/99/06/1294269906.db2.gz QPHZXDFAQCXUKD-HNNXBMFYSA-N 1 0 348.487 2.757 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)CN(C)Cc2cccc(F)c2)cc1 ZINC000102684788 1294402323 /nfs/dbraw/zinc/40/23/23/1294402323.db2.gz XLHAYPKPCGUOLO-UHFFFAOYSA-N 1 0 343.446 2.982 20 10 EFCDRO COc1cc(Br)cc(CN2C[C@@H](C)CC[C@H]2C[NH3+])c1O ZINC001205803270 1294514850 /nfs/dbraw/zinc/51/48/50/1294514850.db2.gz FKHFGBICUCFAQJ-GWCFXTLKSA-N 1 0 343.265 2.723 20 10 EFCDRO C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3c([O-])cccc3F)C2)C1 ZINC001276359951 1294653579 /nfs/dbraw/zinc/65/35/79/1294653579.db2.gz ODSKHLZLTPUWIZ-HXUWFJFHSA-N 1 0 349.494 2.771 20 10 EFCDRO CN(C)c1ccc(CN2CC[C@]3(CC[N@H+](CCCCF)C3)C2=O)cc1 ZINC001273757671 1294837542 /nfs/dbraw/zinc/83/75/42/1294837542.db2.gz FZDWCJWYYZUNGB-FQEVSTJZSA-N 1 0 347.478 2.927 20 10 EFCDRO Cc1ccccc1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886325426 1294855404 /nfs/dbraw/zinc/85/54/04/1294855404.db2.gz FPBKYOQORKGFPR-UHFFFAOYSA-N 1 0 337.467 2.987 20 10 EFCDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000775829918 1294921565 /nfs/dbraw/zinc/92/15/65/1294921565.db2.gz AUIPWPKHNHPQSV-YOEHRIQHSA-N 1 0 332.419 2.982 20 10 EFCDRO Oc1ccc(C[N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)c(O)c1 ZINC001204273610 1313113439 /nfs/dbraw/zinc/11/34/39/1313113439.db2.gz SCTHFJHYNARRAZ-GASCZTMLSA-N 1 0 330.453 2.723 20 10 EFCDRO O=C1N[C@@H](c2ccccc2)C12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204274755 1313113539 /nfs/dbraw/zinc/11/35/39/1313113539.db2.gz IMJGYAODMFQKSF-SFHVURJKSA-N 1 0 338.407 2.551 20 10 EFCDRO Oc1ccc(C[N@@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)c(O)c1 ZINC001204275469 1313113614 /nfs/dbraw/zinc/11/36/14/1313113614.db2.gz REGPSALXJAAVOO-SNVBAGLBSA-N 1 0 343.305 2.879 20 10 EFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(O)cc2O)N1c1ccccc1 ZINC001204274319 1313113694 /nfs/dbraw/zinc/11/36/94/1313113694.db2.gz NGQQECVXUQSXQB-QZTJIDSGSA-N 1 0 338.407 2.868 20 10 EFCDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccc(O)cc3O)[C@@H]2C1 ZINC001204277007 1313114094 /nfs/dbraw/zinc/11/40/94/1313114094.db2.gz VQDDWTLSSDCSPF-SWLSCSKDSA-N 1 0 334.416 2.539 20 10 EFCDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(O)cc3O)CC[C@H]21 ZINC001204275764 1313114361 /nfs/dbraw/zinc/11/43/61/1313114361.db2.gz AHRQTBCOKPARBV-UKRRQHHQSA-N 1 0 334.416 2.539 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(O)cc3O)CC[C@@H]21 ZINC001204276581 1313114366 /nfs/dbraw/zinc/11/43/66/1313114366.db2.gz NRLUFMQSCCJUGB-BBRMVZONSA-N 1 0 348.443 2.929 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C[N@@H+]2Cc2ccc(O)cc2O)C1 ZINC001204276082 1313114454 /nfs/dbraw/zinc/11/44/54/1313114454.db2.gz GAOGKCSYYXTRFA-HIFRSBDPSA-N 1 0 334.416 2.539 20 10 EFCDRO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(O)cc1O ZINC001204279252 1313114905 /nfs/dbraw/zinc/11/49/05/1313114905.db2.gz UARJIFAEMSRONZ-TZMCWYRMSA-N 1 0 336.432 2.975 20 10 EFCDRO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(O)cc1O ZINC001204279249 1313115154 /nfs/dbraw/zinc/11/51/54/1313115154.db2.gz UARJIFAEMSRONZ-GXTWGEPZSA-N 1 0 336.432 2.975 20 10 EFCDRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccc(O)cc2O)CC[C@H]1F ZINC001204278643 1313115177 /nfs/dbraw/zinc/11/51/77/1313115177.db2.gz GSIHWENIMQDHQK-ZIAGYGMSSA-N 1 0 340.395 2.535 20 10 EFCDRO O=C1c2ccccc2CN1[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204277853 1313115269 /nfs/dbraw/zinc/11/52/69/1313115269.db2.gz MNBSGOOEIYOADF-MRXNPFEDSA-N 1 0 338.407 2.718 20 10 EFCDRO O=C(NC1CC[NH+](Cc2ccc(O)cc2O)CC1)c1ccccc1F ZINC001204278070 1313115585 /nfs/dbraw/zinc/11/55/85/1313115585.db2.gz RTASABSULFCLQD-UHFFFAOYSA-N 1 0 344.386 2.631 20 10 EFCDRO CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(O)cc1O ZINC001204278840 1313115602 /nfs/dbraw/zinc/11/56/02/1313115602.db2.gz KOXVBBADFYJLHW-CQSZACIVSA-N 1 0 336.432 2.929 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccc(O)cc2O)CCCN1C(=O)OC(C)(C)C ZINC001204280703 1313116045 /nfs/dbraw/zinc/11/60/45/1313116045.db2.gz NDCCCBOYSBSBIB-ZDUSSCGKSA-N 1 0 336.432 2.929 20 10 EFCDRO CC[N@H+](Cc1ccc(O)cc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001204281869 1313116242 /nfs/dbraw/zinc/11/62/42/1313116242.db2.gz YJOWSHYWEHMKMU-AWEZNQCLSA-N 1 0 336.432 2.929 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775837977 1294972290 /nfs/dbraw/zinc/97/22/90/1294972290.db2.gz WJFIFKUGNCCOHD-GFCCVEGCSA-N 1 0 342.399 2.611 20 10 EFCDRO Oc1ccc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)c(O)c1 ZINC001204280717 1313116428 /nfs/dbraw/zinc/11/64/28/1313116428.db2.gz NSCWCRYCLFRQLD-UHFFFAOYSA-N 1 0 335.407 2.968 20 10 EFCDRO CN(C[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)C1)C(=O)OC(C)(C)C ZINC001204280027 1313116553 /nfs/dbraw/zinc/11/65/53/1313116553.db2.gz JQSMJIJCUFQODS-ZDUSSCGKSA-N 1 0 336.432 2.787 20 10 EFCDRO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1c([O-])cccc1F ZINC000886587664 1295036649 /nfs/dbraw/zinc/03/66/49/1295036649.db2.gz CKYSSJCNTBTWJR-YOEHRIQHSA-N 1 0 344.430 2.949 20 10 EFCDRO Cn1cnnc1C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204322558 1313122539 /nfs/dbraw/zinc/12/25/39/1313122539.db2.gz RYUJWMYWSUUREK-UHFFFAOYSA-N 1 0 325.460 2.795 20 10 EFCDRO O=C1CCCC2(CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)N1 ZINC001204322610 1313122549 /nfs/dbraw/zinc/12/25/49/1313122549.db2.gz LGRMCOJXLFDUFH-UHFFFAOYSA-N 1 0 327.472 2.922 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCCC[C@H](O)C2)c1O ZINC001204336265 1313124834 /nfs/dbraw/zinc/12/48/34/1313124834.db2.gz KDLRUNUPQJSRDD-LBPRGKRZSA-N 1 0 330.222 2.510 20 10 EFCDRO CCOC(=O)NC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204328994 1313123180 /nfs/dbraw/zinc/12/31/80/1313123180.db2.gz ALJJNXFKBJOTSN-UHFFFAOYSA-N 1 0 331.460 2.997 20 10 EFCDRO CN1CC2(CC1=O)CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204328654 1313123190 /nfs/dbraw/zinc/12/31/90/1313123190.db2.gz LPNZLUCLNBBCLY-UHFFFAOYSA-N 1 0 327.472 2.731 20 10 EFCDRO O=C(NC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1)C1CC1 ZINC001204326319 1313123224 /nfs/dbraw/zinc/12/32/24/1313123224.db2.gz FMGMPGWXQBLMIA-UHFFFAOYSA-N 1 0 327.472 2.777 20 10 EFCDRO CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001204327910 1313123411 /nfs/dbraw/zinc/12/34/11/1313123411.db2.gz MLBXRMZWJSAHFY-HXUWFJFHSA-N 1 0 327.472 2.874 20 10 EFCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)CC[C@H]21 ZINC001204328987 1313123430 /nfs/dbraw/zinc/12/34/30/1313123430.db2.gz AFGCTQSXJSUNFE-PKOBYXMFSA-N 1 0 327.472 2.730 20 10 EFCDRO CC[NH+](CC)CCN(C)Cc1cc(Br)cc(OC)c1O ZINC001204336214 1313125135 /nfs/dbraw/zinc/12/51/35/1313125135.db2.gz HEVTUBAINXASIE-UHFFFAOYSA-N 1 0 345.281 2.937 20 10 EFCDRO COc1cc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(O)c1O ZINC001204341446 1313125523 /nfs/dbraw/zinc/12/55/23/1313125523.db2.gz CNFKVFCICLPGBC-QGZVFWFLSA-N 1 0 342.439 2.813 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)cc(O)c1O ZINC001204344137 1313126226 /nfs/dbraw/zinc/12/62/26/1313126226.db2.gz ZFFRAJVJIYNSGM-OAHLLOKOSA-N 1 0 333.359 2.899 20 10 EFCDRO Cc1cccc(C[N@H+]2CCC[C@]3(CC(=O)N(CC(C)C)C3=O)C2)c1O ZINC001273769855 1295178916 /nfs/dbraw/zinc/17/89/16/1295178916.db2.gz MXIQIDMGFSUIFS-FQEVSTJZSA-N 1 0 344.455 2.698 20 10 EFCDRO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(C)c1O ZINC001273770465 1295198465 /nfs/dbraw/zinc/19/84/65/1295198465.db2.gz RSUSBBJXUZJHTR-FOIQADDNSA-N 1 0 344.455 2.635 20 10 EFCDRO CCOCCN1CCC2(CC[NH+](Cc3cccc(C)c3O)CC2)C1=O ZINC001273770979 1295219506 /nfs/dbraw/zinc/21/95/06/1295219506.db2.gz YEGXSTSRLMFWQI-UHFFFAOYSA-N 1 0 346.471 2.552 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)CCOC(C)C)CC2)cc1C ZINC001199420701 1295510230 /nfs/dbraw/zinc/51/02/30/1295510230.db2.gz JYSRFIUUPZPXCX-UHFFFAOYSA-N 1 0 348.487 2.899 20 10 EFCDRO Cc1cc(Br)cc(CN2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1O ZINC000775986614 1295563261 /nfs/dbraw/zinc/56/32/61/1295563261.db2.gz RGCABUBLSWIAFF-RYUDHWBXSA-N 1 0 327.266 2.988 20 10 EFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC2(CCC(=O)N(C)C2)CC1 ZINC001274215515 1295588113 /nfs/dbraw/zinc/58/81/13/1295588113.db2.gz CHCCCRWHGUCSSX-UHFFFAOYSA-N 1 0 345.487 2.596 20 10 EFCDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000105206757 1295687221 /nfs/dbraw/zinc/68/72/21/1295687221.db2.gz KXQCGFGJFBEUQD-KRWDZBQOSA-N 1 0 344.503 2.600 20 10 EFCDRO CC[NH+]1CCN(c2ccc(O[C@H]3CCC[C@@H](C(=O)OC)C3)cc2)CC1 ZINC001234660376 1313179218 /nfs/dbraw/zinc/17/92/18/1313179218.db2.gz HFVZMJVVSDEQML-APWZRJJASA-N 1 0 346.471 2.939 20 10 EFCDRO CC[NH+]1CCN(c2ccc(O[C@H]3CC[C@@H](C(=O)OC)CC3)cc2)CC1 ZINC001234660050 1313179312 /nfs/dbraw/zinc/17/93/12/1313179312.db2.gz CKUSKSNKVWMGRZ-MAEOIBBWSA-N 1 0 346.471 2.939 20 10 EFCDRO CC[NH+]1CCN(c2ccc(O[C@H]3CC[C@@H](C(=O)OC)C3)cc2)CC1 ZINC001234657903 1313179470 /nfs/dbraw/zinc/17/94/70/1313179470.db2.gz LULCYIUKYXSYRE-QAPCUYQASA-N 1 0 332.444 2.549 20 10 EFCDRO CC[NH+]1CCN(c2ccc(OC[C@@H](C)OC[C@H](C)OC)cc2)CC1 ZINC001234661922 1313179978 /nfs/dbraw/zinc/17/99/78/1313179978.db2.gz XKKILFXHJIBXLJ-DLBZAZTESA-N 1 0 336.476 2.647 20 10 EFCDRO CC[C@@H](C)N(CC)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889660767 1295792867 /nfs/dbraw/zinc/79/28/67/1295792867.db2.gz HQDDHUZLJNZDRA-MRXNPFEDSA-N 1 0 332.492 2.768 20 10 EFCDRO C[C@@H]1CC(C)(C)CN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889661295 1295793453 /nfs/dbraw/zinc/79/34/53/1295793453.db2.gz WIGBEJRRWDUYNQ-MRXNPFEDSA-N 1 0 344.503 2.768 20 10 EFCDRO COc1ccc(C[NH2+]CC2CCN(C(=O)C[C@H](C)OC)CC2)cc1C ZINC001204742029 1313187581 /nfs/dbraw/zinc/18/75/81/1313187581.db2.gz MOLOJSCXNIQANB-INIZCTEOSA-N 1 0 348.487 2.757 20 10 EFCDRO C[C@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(N2CCOCC2)c(F)c1 ZINC000305075528 1295875864 /nfs/dbraw/zinc/87/58/64/1295875864.db2.gz NPEUEAWSAXLFOZ-GUYCJALGSA-N 1 0 334.391 2.640 20 10 EFCDRO CC(C)[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000305109716 1295911587 /nfs/dbraw/zinc/91/15/87/1295911587.db2.gz FIVBDOWVXLZJND-DYVFJYSZSA-N 1 0 326.868 2.844 20 10 EFCDRO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234999462 1313220076 /nfs/dbraw/zinc/22/00/76/1313220076.db2.gz VRABXCVAJAVUND-KRWDZBQOSA-N 1 0 341.407 2.823 20 10 EFCDRO C[C@]1(CO)C[N@H+](Cc2cccc(-c3ccccc3)c2O)CC[C@H]1O ZINC001235001493 1313220616 /nfs/dbraw/zinc/22/06/16/1313220616.db2.gz NDOMOTGWTCMYDX-UYAOXDASSA-N 1 0 327.424 2.624 20 10 EFCDRO CCN(CC)c1ccc(CN2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235007367 1313222526 /nfs/dbraw/zinc/22/25/26/1313222526.db2.gz MQPWQFMHBSAYPY-FQEVSTJZSA-N 1 0 331.504 2.735 20 10 EFCDRO COc1ccc(N2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)c(C)c1 ZINC001274873745 1296197609 /nfs/dbraw/zinc/19/76/09/1296197609.db2.gz ASBBAJIQJXMWQO-HXUWFJFHSA-N 1 0 345.487 2.527 20 10 EFCDRO O=C(Nc1cccnc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1O ZINC001275267410 1296247061 /nfs/dbraw/zinc/24/70/61/1296247061.db2.gz NLYZVRGXUOQTEQ-CALCHBBNSA-N 1 0 338.411 2.668 20 10 EFCDRO C[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2[O-])[C@H]1CO ZINC001235058249 1313233147 /nfs/dbraw/zinc/23/31/47/1313233147.db2.gz ZWCIDCWZCGSWGK-ZANVPECISA-N 1 0 332.213 2.887 20 10 EFCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(Br)cc(F)c3[O-])C[C@H]21 ZINC001235066581 1313234251 /nfs/dbraw/zinc/23/42/51/1313234251.db2.gz KXKRWSIHWCIQDX-QMTHXVAHSA-N 1 0 343.240 2.820 20 10 EFCDRO COc1ccc(C(=O)NCC[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000776095893 1296282598 /nfs/dbraw/zinc/28/25/98/1296282598.db2.gz DZMFASLTQHUIDI-UHFFFAOYSA-N 1 0 334.803 2.574 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)c2ncc[nH]2)cc1C ZINC000959998420 1296341354 /nfs/dbraw/zinc/34/13/54/1296341354.db2.gz XBQBESGPCPUHPN-INIZCTEOSA-N 1 0 342.443 2.511 20 10 EFCDRO Cc1cc(CN2CCC[C@]23CC[NH2+]C3)c(O)cc1Br ZINC001235116865 1313245121 /nfs/dbraw/zinc/24/51/21/1313245121.db2.gz ZLYSSAODQPJPAJ-OAHLLOKOSA-N 1 0 325.250 2.791 20 10 EFCDRO Clc1cc(CN2CCCC[C@@]23CC[NH2+]C3)ccc1N1CCOCC1 ZINC001235119224 1313246248 /nfs/dbraw/zinc/24/62/48/1313246248.db2.gz PWZNPYNEZUYLMU-IBGZPJMESA-N 1 0 349.906 2.895 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN1CCCC[C@@]12CC[NH2+]C2 ZINC001235130692 1313249524 /nfs/dbraw/zinc/24/95/24/1313249524.db2.gz VPSMAROSINEBOS-IBGZPJMESA-N 1 0 349.906 2.895 20 10 EFCDRO CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1O ZINC001275912862 1296447444 /nfs/dbraw/zinc/44/74/44/1296447444.db2.gz GEXODJDWNXRQIH-MQVJKMGUSA-N 1 0 335.423 2.734 20 10 EFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c1O ZINC001275968872 1296464512 /nfs/dbraw/zinc/46/45/12/1296464512.db2.gz QOGYBESUKRSZLC-HDICACEKSA-N 1 0 330.472 2.837 20 10 EFCDRO CCOC(=O)c1c(CN2CC[C@H](C)[C@H](C[NH3+])C2)c2ccccc2n1C ZINC001205317371 1313268879 /nfs/dbraw/zinc/26/88/79/1313268879.db2.gz OFYKXFYHCOXDGA-LSDHHAIUSA-N 1 0 343.471 2.772 20 10 EFCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(F)cc(Br)c3[O-])C[C@H]21 ZINC001235305327 1313286904 /nfs/dbraw/zinc/28/69/04/1313286904.db2.gz LXCMTPLPJMJYAN-QMTHXVAHSA-N 1 0 343.240 2.820 20 10 EFCDRO CCOC(=O)c1c(CN(C)[C@H]2CCC[NH2+]C2)c2ccccc2n1C ZINC001235346539 1313297211 /nfs/dbraw/zinc/29/72/11/1313297211.db2.gz HONSRRQCKLQSPP-AWEZNQCLSA-N 1 0 329.444 2.539 20 10 EFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776161043 1296778310 /nfs/dbraw/zinc/77/83/10/1296778310.db2.gz JJZYYMUJDCBMMH-NVXWUHKLSA-N 1 0 332.492 2.987 20 10 EFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776161042 1296778966 /nfs/dbraw/zinc/77/89/66/1296778966.db2.gz JJZYYMUJDCBMMH-DOTOQJQBSA-N 1 0 332.492 2.987 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccccc2S(C)(=O)=O)c(O)c1 ZINC000926908478 1296974577 /nfs/dbraw/zinc/97/45/77/1296974577.db2.gz PXSQUQVGNYMQGJ-CQSZACIVSA-N 1 0 333.453 2.997 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001205673406 1313335272 /nfs/dbraw/zinc/33/52/72/1313335272.db2.gz QJDQNQSWWZVEQB-HXUWFJFHSA-N 1 0 327.472 2.770 20 10 EFCDRO COc1cc(Br)cc(CN2CC[NH2+][C@H](C(C)C)C2)c1O ZINC001235470988 1313331715 /nfs/dbraw/zinc/33/17/15/1313331715.db2.gz LYLQVULDNXNLEA-ZDUSSCGKSA-N 1 0 343.265 2.593 20 10 EFCDRO Cc1cc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c(C)n1-c1ccccc1 ZINC001205673966 1313335008 /nfs/dbraw/zinc/33/50/08/1313335008.db2.gz WTTKTZXWVMFKCY-FQEVSTJZSA-N 1 0 327.472 2.770 20 10 EFCDRO Cc1cc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c(C)n1-c1ccccc1 ZINC001205673967 1313335067 /nfs/dbraw/zinc/33/50/67/1313335067.db2.gz WTTKTZXWVMFKCY-HXUWFJFHSA-N 1 0 327.472 2.770 20 10 EFCDRO CC1(C)C=Cc2c(O)c(CN3CCC(F)(F)[C@H](C[NH3+])C3)ccc2O1 ZINC001205795532 1313357411 /nfs/dbraw/zinc/35/74/11/1313357411.db2.gz HWOBIRIVSRVYFH-CYBMUJFWSA-N 1 0 338.398 2.992 20 10 EFCDRO Nc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1 ZINC001235599364 1313358244 /nfs/dbraw/zinc/35/82/44/1313358244.db2.gz YJPIFRFKFXPFGP-ICSRJNTNSA-N 1 0 341.430 2.745 20 10 EFCDRO Nc1ccc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc1 ZINC001235599363 1313358456 /nfs/dbraw/zinc/35/84/56/1313358456.db2.gz YJPIFRFKFXPFGP-AZUAARDMSA-N 1 0 341.430 2.745 20 10 EFCDRO COc1cc(O)c(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1OC ZINC000776251437 1297261748 /nfs/dbraw/zinc/26/17/48/1297261748.db2.gz XRSJSCNNUWJIOC-UHFFFAOYSA-N 1 0 343.379 2.917 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@@H](C)CC[C@H]2C[NH3+])c2ccccc2n1C ZINC001205842589 1313364639 /nfs/dbraw/zinc/36/46/39/1313364639.db2.gz OFYOWBYCRQUPGJ-GJZGRUSLSA-N 1 0 343.471 2.914 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC3CCCC3)cc2F)CC1 ZINC000106506659 1297294713 /nfs/dbraw/zinc/29/47/13/1297294713.db2.gz XQRUQPQYZKBNFW-UHFFFAOYSA-N 1 0 348.466 2.709 20 10 EFCDRO CC1=NC2(CC[NH+](Cc3ccc(C(C)(C)C)cc3O)CC2)C(=O)N1C ZINC001235678356 1313373416 /nfs/dbraw/zinc/37/34/16/1313373416.db2.gz BELRZOPJXZAFOG-UHFFFAOYSA-N 1 0 343.471 2.915 20 10 EFCDRO COC(=O)[C@@H]1COCCC12C[NH+](Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001235678739 1313373640 /nfs/dbraw/zinc/37/36/40/1313373640.db2.gz MFSWUIGUFWHHRB-INIZCTEOSA-N 1 0 347.455 2.701 20 10 EFCDRO CC[NH2+]C1CCN(Cc2c3ccccc3n(C)c2C(=O)OCC)CC1 ZINC001235725456 1313384655 /nfs/dbraw/zinc/38/46/55/1313384655.db2.gz HUFHQONDMSMDRS-UHFFFAOYSA-N 1 0 343.471 2.929 20 10 EFCDRO CCOC(=O)c1c(CN2CCCC3(C[NH2+]C3)C2)c2ccccc2n1C ZINC001235712656 1313382266 /nfs/dbraw/zinc/38/22/66/1313382266.db2.gz FLSWOAIEUQXSAN-UHFFFAOYSA-N 1 0 341.455 2.540 20 10 EFCDRO CCCCN(CCCC)c1ccc(CN2CC[NH2+][C@@H](CO)C2)c(O)c1 ZINC001235751401 1313388209 /nfs/dbraw/zinc/38/82/09/1313388209.db2.gz YAZWWJDISKAFBX-GOSISDBHSA-N 1 0 349.519 2.565 20 10 EFCDRO Cc1cc(O)c(CN2CCN(C3(C)CC[NH2+]CC3)CC2)cc1Cl ZINC001235821621 1313404889 /nfs/dbraw/zinc/40/48/89/1313404889.db2.gz KQWCMXMSHDGOMQ-UHFFFAOYSA-N 1 0 337.895 2.614 20 10 EFCDRO COCCCN(Cc1cc(Cl)c(OC)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001235807784 1313401261 /nfs/dbraw/zinc/40/12/61/1313401261.db2.gz WOTUUZWXSSDLHJ-CQSZACIVSA-N 1 0 342.867 2.645 20 10 EFCDRO COCCCN(Cc1cc(F)c(Cl)cc1O)[C@H]1CCC[NH2+]C1 ZINC001235808868 1313402011 /nfs/dbraw/zinc/40/20/11/1313402011.db2.gz GXMNXNRBSNSAAS-ZDUSSCGKSA-N 1 0 330.831 2.775 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000686277784 1297613087 /nfs/dbraw/zinc/61/30/87/1297613087.db2.gz RBRAFLUMQUYWOO-LBPRGKRZSA-N 1 0 336.432 2.746 20 10 EFCDRO CCOc1cccc(CN2CC[NH2+]C[C@@H]2Cc2ccccc2)c1O ZINC001235846957 1313408391 /nfs/dbraw/zinc/40/83/91/1313408391.db2.gz ASVMFDXGZKUMSL-SFHVURJKSA-N 1 0 326.440 2.807 20 10 EFCDRO COc1cc(N(C)C)ccc1CN1CC[NH2+]C[C@@H]1Cc1ccccc1 ZINC001235849385 1313409278 /nfs/dbraw/zinc/40/92/78/1313409278.db2.gz KCSIOFNYDKZFGG-FQEVSTJZSA-N 1 0 339.483 2.778 20 10 EFCDRO [NH3+][C@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CC[C@H]1F ZINC001235907024 1313416185 /nfs/dbraw/zinc/41/61/85/1313416185.db2.gz SXVADFIOZGXFAU-MSOLQXFVSA-N 1 0 330.403 2.842 20 10 EFCDRO Cc1cc(CN2CC[C@H]([NH3+])C(F)(F)C2)c(O)cc1Br ZINC001235916874 1313417411 /nfs/dbraw/zinc/41/74/11/1313417411.db2.gz SFUPLSGMJVPWSU-LBPRGKRZSA-N 1 0 335.192 2.631 20 10 EFCDRO COc1cccc(N2CC[NH+](Cc3cccc(OC)c3O)CC2)c1 ZINC000155979747 1297712428 /nfs/dbraw/zinc/71/24/28/1297712428.db2.gz UGXQDBWLFUDCLW-UHFFFAOYSA-N 1 0 328.412 2.732 20 10 EFCDRO [NH3+][C@@]12CC[C@H]1CN(Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC001235998173 1313429517 /nfs/dbraw/zinc/42/95/17/1313429517.db2.gz XOGJKHAWSGZMDU-TVQRCGJNSA-N 1 0 331.641 2.731 20 10 EFCDRO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001206245457 1313425923 /nfs/dbraw/zinc/42/59/23/1313425923.db2.gz UGMXRUQGCOCKBA-NSHDSACASA-N 1 0 344.255 2.756 20 10 EFCDRO CCN(Cc1ccc(OCC(F)(F)F)cc1O)[C@H]1CCC[NH2+]C1 ZINC001236010910 1313431299 /nfs/dbraw/zinc/43/12/99/1313431299.db2.gz UEQXPQQJUZPVIA-ZDUSSCGKSA-N 1 0 332.366 2.907 20 10 EFCDRO CCN(Cc1cc(Br)c(OC)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236010461 1313431445 /nfs/dbraw/zinc/43/14/45/1313431445.db2.gz SKEXGEQIRURQGM-GFCCVEGCSA-N 1 0 343.265 2.737 20 10 EFCDRO [NH3+][C@@H]1C[C@@H](F)CN(Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001206447636 1313456151 /nfs/dbraw/zinc/45/61/51/1313456151.db2.gz YPCFHIHVSLXOAF-IAGOWNOFSA-N 1 0 330.403 2.842 20 10 EFCDRO Oc1ccc2cc(Br)ccc2c1CN1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001236286365 1313465330 /nfs/dbraw/zinc/46/53/30/1313465330.db2.gz MWMJSUYRXGNHGI-XHDPSFHLSA-N 1 0 333.229 2.712 20 10 EFCDRO Clc1cc(CN2CCC[C@H]([NH2+]C3CC3)C2)ccc1N1CCOCC1 ZINC001236222277 1313457121 /nfs/dbraw/zinc/45/71/21/1313457121.db2.gz LRUAHCIGFWQYFK-KRWDZBQOSA-N 1 0 349.906 2.893 20 10 EFCDRO CN(Cc1ccc(N2CCOCC2)cc1Cl)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218959 1313457488 /nfs/dbraw/zinc/45/74/88/1313457488.db2.gz TYMIXNPSVPIFBC-ZWKOTPCHSA-N 1 0 337.895 2.878 20 10 EFCDRO C[N@H+](CC1CC1)C[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000961051812 1298075907 /nfs/dbraw/zinc/07/59/07/1298075907.db2.gz XGOYBQJDYAPQPB-INIZCTEOSA-N 1 0 343.431 2.795 20 10 EFCDRO [O-]c1c(F)cc(Br)cc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321034 1313469388 /nfs/dbraw/zinc/46/93/88/1313469388.db2.gz NTJMWXYJWWTLAE-PHIMTYICSA-N 1 0 343.240 2.725 20 10 EFCDRO COCCN(Cc1ccc(N(C)C)c2ccccc12)[C@H]1CC[NH2+]C1 ZINC001236333818 1313471544 /nfs/dbraw/zinc/47/15/44/1313471544.db2.gz KXPDMPQGJSNFCY-KRWDZBQOSA-N 1 0 327.472 2.716 20 10 EFCDRO NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1cc[nH+]c(N)c1 ZINC001206562060 1313476851 /nfs/dbraw/zinc/47/68/51/1313476851.db2.gz WYVIHPHGNUWRNT-UHFFFAOYSA-N 1 0 346.390 2.666 20 10 EFCDRO C[C@]1(C[NH3+])CCCCN(Cc2cc(O)c(Br)cc2O)C1 ZINC001206574207 1313478057 /nfs/dbraw/zinc/47/80/57/1313478057.db2.gz QLXPMSUQTBPGJX-OAHLLOKOSA-N 1 0 343.265 2.811 20 10 EFCDRO COc1cc(Br)cc(CN2CCCC[C@@H](C[NH3+])C2)c1O ZINC001206615571 1313484508 /nfs/dbraw/zinc/48/45/08/1313484508.db2.gz JDKQCHFRZSRKFJ-NSHDSACASA-N 1 0 343.265 2.724 20 10 EFCDRO Oc1cccc2c1C[N@H+](Cc1ccc(CN3CCOCC3)cc1)CC2 ZINC001206721999 1313497632 /nfs/dbraw/zinc/49/76/32/1313497632.db2.gz IXHNJCXMHKREJX-UHFFFAOYSA-N 1 0 338.451 2.783 20 10 EFCDRO COc1cc(CN([C@H]2CC[NH2+]C2)C2CCCCC2)c(O)c(OC)c1 ZINC001236662497 1313505117 /nfs/dbraw/zinc/50/51/17/1313505117.db2.gz JWJVENYALLYDOH-INIZCTEOSA-N 1 0 334.460 2.906 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2CCC[C@H]2C[NH+](C)C)c1 ZINC001236663249 1313505199 /nfs/dbraw/zinc/50/51/99/1313505199.db2.gz FRUGTKWRNINWCC-ZDUSSCGKSA-N 1 0 327.266 2.989 20 10 EFCDRO COc1cc(C[N@H+](C)C2CCOCC2)c(O)cc1Br ZINC001236744500 1313520459 /nfs/dbraw/zinc/52/04/59/1313520459.db2.gz CMUZOCNCWOAZEA-UHFFFAOYSA-N 1 0 330.222 2.774 20 10 EFCDRO COc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)c(O)cc1Br ZINC001236748566 1313521722 /nfs/dbraw/zinc/52/17/22/1313521722.db2.gz REWKFIQFRPUCMS-ONGXEEELSA-N 1 0 330.222 2.509 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)Cc2cccc3c2OCO3)cc1OC ZINC001236753413 1313522315 /nfs/dbraw/zinc/52/23/15/1313522315.db2.gz NGFQYNSUCUXMCJ-UHFFFAOYSA-N 1 0 331.368 2.770 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(c3ncccn3)CC2)cc1OC ZINC001236752383 1313522389 /nfs/dbraw/zinc/52/23/89/1313522389.db2.gz QDLFAWYOCNNWTL-UHFFFAOYSA-N 1 0 329.400 2.579 20 10 EFCDRO CC[N@H+](Cc1cc(OC)c(Br)cc1O)CC(C)(C)O ZINC001236757310 1313523361 /nfs/dbraw/zinc/52/33/61/1313523361.db2.gz RWHFGIYCUBZBQV-UHFFFAOYSA-N 1 0 332.238 2.756 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC3(C[C@H](F)CO3)CC2)cc1OC ZINC001236755441 1313523433 /nfs/dbraw/zinc/52/34/33/1313523433.db2.gz DMPMMORVRDWGEE-ZDUSSCGKSA-N 1 0 325.380 2.502 20 10 EFCDRO C[N@H+](C1CC1)[C@@H]1CCN(Cc2cc(O)c(Br)cc2O)C1 ZINC001236763230 1313524555 /nfs/dbraw/zinc/52/45/55/1313524555.db2.gz XCQKQXGCKWSULT-GFCCVEGCSA-N 1 0 341.249 2.529 20 10 EFCDRO C[C@@]1(O)CCC[N@H+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001236768940 1313525201 /nfs/dbraw/zinc/52/52/01/1313525201.db2.gz SGTXRDMFUQTZNC-CQSZACIVSA-N 1 0 330.222 2.597 20 10 EFCDRO C[C@@H]1C(=O)N(C)CCN1Cc1cc(OCc2ccccc2)ccc1O ZINC001236781319 1313527571 /nfs/dbraw/zinc/52/75/71/1313527571.db2.gz BFTIZRGVSORZKS-OAHLLOKOSA-N 1 0 340.423 2.634 20 10 EFCDRO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001236778511 1313527763 /nfs/dbraw/zinc/52/77/63/1313527763.db2.gz HXNMBCSNBHHJEN-SJORKVTESA-N 1 0 331.387 2.876 20 10 EFCDRO C[C@]1(O)COCC[N@H+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236779134 1313527793 /nfs/dbraw/zinc/52/77/93/1313527793.db2.gz QSCAZDYJWJAHON-HXUWFJFHSA-N 1 0 343.423 2.554 20 10 EFCDRO CCc1ccc(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)c(O)c1 ZINC001236785764 1313528183 /nfs/dbraw/zinc/52/81/83/1313528183.db2.gz BNOOLSKLCDHOMV-OSYLJGHBSA-N 1 0 328.456 2.691 20 10 EFCDRO CCc1ccc(C[NH+]2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)c(O)c1 ZINC001236786442 1313528403 /nfs/dbraw/zinc/52/84/03/1313528403.db2.gz PAHNUTWXCKZBMJ-WOJBJXKFSA-N 1 0 337.467 2.913 20 10 EFCDRO CN1CC[N@H+](Cc2cc(OCc3ccccc3)ccc2O)CCC1=O ZINC001236785087 1313528445 /nfs/dbraw/zinc/52/84/45/1313528445.db2.gz KUKZLLMSYRZKQX-UHFFFAOYSA-N 1 0 340.423 2.635 20 10 EFCDRO CC(C)[NH+]1CCC(NC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000195201829 1298623740 /nfs/dbraw/zinc/62/37/40/1298623740.db2.gz AVSAWGQRDCDMKJ-UHFFFAOYSA-N 1 0 336.455 2.564 20 10 EFCDRO CCc1ccc(C[NH+]2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)c(O)c1 ZINC001236786466 1313528720 /nfs/dbraw/zinc/52/87/20/1313528720.db2.gz DPHWRAAXBVLHGY-RTBURBONSA-N 1 0 337.467 2.913 20 10 EFCDRO CCc1ccc(C[N@@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)c(O)c1 ZINC001236785631 1313528868 /nfs/dbraw/zinc/52/88/68/1313528868.db2.gz ABDQCWBFCKSHTL-SJLPKXTDSA-N 1 0 338.455 2.703 20 10 EFCDRO CCOC[C@H]1Cn2nccc2C[N@H+](Cc2ccc(CC)cc2O)C1 ZINC001236787774 1313529155 /nfs/dbraw/zinc/52/91/55/1313529155.db2.gz OEJPKYZEVTWEIU-MRXNPFEDSA-N 1 0 329.444 2.820 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2ccc(CC)cc2O)Cc2c1cnn2C ZINC001236787580 1313529201 /nfs/dbraw/zinc/52/92/01/1313529201.db2.gz WTXKMWIYBQZJRR-INIZCTEOSA-N 1 0 329.444 2.824 20 10 EFCDRO Oc1cc(Cl)c(Cl)cc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001236796477 1313529795 /nfs/dbraw/zinc/52/97/95/1313529795.db2.gz PJZWPYNEGFYSIK-ZDUSSCGKSA-N 1 0 345.270 2.996 20 10 EFCDRO CCC(=O)NC1CC[NH+](Cc2c(O)cc(OC)cc2Cl)CC1 ZINC001236797940 1313531025 /nfs/dbraw/zinc/53/10/25/1313531025.db2.gz CFWULGHSWHPZGJ-UHFFFAOYSA-N 1 0 326.824 2.545 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCC3(C2)OCCO3)c(Cl)c1 ZINC001236800920 1313531706 /nfs/dbraw/zinc/53/17/06/1313531706.db2.gz ARTMUQXKMZWTQU-NSHDSACASA-N 1 0 327.808 2.782 20 10 EFCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236802099 1313531915 /nfs/dbraw/zinc/53/19/15/1313531915.db2.gz GUQYHNJPDMRMAW-LLVKDONJSA-N 1 0 327.808 2.829 20 10 EFCDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236803581 1313532032 /nfs/dbraw/zinc/53/20/32/1313532032.db2.gz PEDFUSHWHALKIE-GHMZBOCLSA-N 1 0 327.808 2.685 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCN(c3ncccn3)CC2)c(Cl)c1 ZINC001236804778 1313532102 /nfs/dbraw/zinc/53/21/02/1313532102.db2.gz ZFKMCNONAWSUJY-UHFFFAOYSA-N 1 0 348.834 2.557 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001236808706 1313533666 /nfs/dbraw/zinc/53/36/66/1313533666.db2.gz RDHHFWGDKKQICQ-DJJJIMSYSA-N 1 0 348.443 2.808 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001236807660 1313532706 /nfs/dbraw/zinc/53/27/06/1313532706.db2.gz IAEGJJSTGJAUAR-OAHLLOKOSA-N 1 0 333.350 2.989 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)Cc2cnn(C)c21 ZINC001236807973 1313533050 /nfs/dbraw/zinc/53/30/50/1313533050.db2.gz ITWVXUNIVNMGMO-HNNXBMFYSA-N 1 0 345.443 2.579 20 10 EFCDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2c(C)cc(OC)cc2O)CC1 ZINC001236810460 1313534294 /nfs/dbraw/zinc/53/42/94/1313534294.db2.gz HGOASEBJPIJWNT-QGZVFWFLSA-N 1 0 348.487 2.784 20 10 EFCDRO CCOC(=O)N1CCC([N@H+](C)Cc2c(C)cc(OC)cc2O)CC1 ZINC001236811656 1313535092 /nfs/dbraw/zinc/53/50/92/1313535092.db2.gz VBKGLIIWGYGLCU-UHFFFAOYSA-N 1 0 336.432 2.762 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](Oc3ncc(C)cn3)C2)c(O)c1 ZINC001236812997 1313535198 /nfs/dbraw/zinc/53/51/98/1313535198.db2.gz DJIMAKNWYJXGJY-HNNXBMFYSA-N 1 0 343.427 2.851 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCC(Oc3nccc(C)n3)CC2)c(O)c1 ZINC001236816384 1313535917 /nfs/dbraw/zinc/53/59/17/1313535917.db2.gz UAQFNQDUYLJOSD-UHFFFAOYSA-N 1 0 343.427 2.851 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c(O)c1 ZINC001236814176 1313535980 /nfs/dbraw/zinc/53/59/80/1313535980.db2.gz QBGDWMQMVPKAOG-UHFFFAOYSA-N 1 0 346.471 2.934 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1 ZINC001236817013 1313536103 /nfs/dbraw/zinc/53/61/03/1313536103.db2.gz AJCAVCQZCGVOQO-XJKSGUPXSA-N 1 0 348.443 2.760 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](Oc3cnccn3)C2)c(O)c1 ZINC001236815767 1313536127 /nfs/dbraw/zinc/53/61/27/1313536127.db2.gz OGWHRQRIYCJZBT-CQSZACIVSA-N 1 0 329.400 2.543 20 10 EFCDRO CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236833916 1313538407 /nfs/dbraw/zinc/53/84/07/1313538407.db2.gz RDNZWCUDNJXFAR-GOSISDBHSA-N 1 0 342.439 2.663 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3ccncc3)C2)cc1C ZINC000961489133 1298791147 /nfs/dbraw/zinc/79/11/47/1298791147.db2.gz ORHFKLWPNIGGNZ-UHFFFAOYSA-N 1 0 339.439 2.697 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CCC[C@@H]1O ZINC001236924007 1313554259 /nfs/dbraw/zinc/55/42/59/1313554259.db2.gz JHVOURLYHTWPBQ-KSSFIOAISA-N 1 0 338.879 2.769 20 10 EFCDRO CCC1(O)CC[NH+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236927646 1313554582 /nfs/dbraw/zinc/55/45/82/1313554582.db2.gz RZNCGCBCABQQHQ-UHFFFAOYSA-N 1 0 338.879 2.914 20 10 EFCDRO OCC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236927209 1313554597 /nfs/dbraw/zinc/55/45/97/1313554597.db2.gz NEYWCINVJKDRQF-HNNXBMFYSA-N 1 0 338.879 2.771 20 10 EFCDRO O=C1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3Cl)C[C@H]12 ZINC001236926846 1313554819 /nfs/dbraw/zinc/55/48/19/1313554819.db2.gz NVNFPFCSWYRJGZ-PBHICJAKSA-N 1 0 348.874 2.978 20 10 EFCDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(N4CCOCC4)cc3Cl)C[C@H]21 ZINC001236929297 1313555246 /nfs/dbraw/zinc/55/52/46/1313555246.db2.gz DPHOWGOFAVOBNE-QFBILLFUSA-N 1 0 349.906 2.703 20 10 EFCDRO CC(C)[NH+]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236929605 1313555549 /nfs/dbraw/zinc/55/55/49/1313555549.db2.gz QVQOPWXQSXSMQJ-UHFFFAOYSA-N 1 0 337.895 2.703 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN3CC(C)(C)OC(C)(C)C3)c(F)c2)CC1 ZINC001236942401 1313558221 /nfs/dbraw/zinc/55/82/21/1313558221.db2.gz JIJMRKDECXDFPK-UHFFFAOYSA-N 1 0 349.494 2.967 20 10 EFCDRO COCCCN(Cc1ccc(C(F)(F)F)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236949315 1313560067 /nfs/dbraw/zinc/56/00/67/1313560067.db2.gz YKVKBWQVWYULMB-CQSZACIVSA-N 1 0 332.366 2.611 20 10 EFCDRO FC(F)(F)[C@H]1C[NH2+]CCN1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001236976867 1313564706 /nfs/dbraw/zinc/56/47/06/1313564706.db2.gz QOWJKIDYRFNMQZ-MRXNPFEDSA-N 1 0 339.405 2.722 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncncc3C)C2)c(O)c1 ZINC001237048565 1313576104 /nfs/dbraw/zinc/57/61/04/1313576104.db2.gz UABFUOKTERLVBV-QGZVFWFLSA-N 1 0 343.427 2.933 20 10 EFCDRO CCOC[C@H]1Cn2nccc2C[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC001237039698 1313573021 /nfs/dbraw/zinc/57/30/21/1313573021.db2.gz AJEHQOOUZSXIJM-OAHLLOKOSA-N 1 0 345.443 2.656 20 10 EFCDRO CC(=O)N1CCC2(CC1)C[N@H+](Cc1ccc(C(C)C)cc1O)CCO2 ZINC001237048966 1313576253 /nfs/dbraw/zinc/57/62/53/1313576253.db2.gz PYQIQSLICIDLNV-UHFFFAOYSA-N 1 0 346.471 2.729 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC(Oc3nccc(C)n3)CC2)c(O)c1 ZINC001237046295 1313575020 /nfs/dbraw/zinc/57/50/20/1313575020.db2.gz AFCPKFHYNRJIFK-UHFFFAOYSA-N 1 0 343.427 2.933 20 10 EFCDRO CCOc1ccc(C[NH+]2CCN(c3ncccc3C)CC2)c(O)c1 ZINC001237046191 1313575092 /nfs/dbraw/zinc/57/50/92/1313575092.db2.gz ZBLBSPAMFZNTFA-UHFFFAOYSA-N 1 0 327.428 2.817 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)c(O)c1 ZINC001237046253 1313575235 /nfs/dbraw/zinc/57/52/35/1313575235.db2.gz ABNGRJDODWFLSQ-MRXNPFEDSA-N 1 0 332.444 2.672 20 10 EFCDRO CCOc1ccc(CN2CCC([NH+]3CCC(OC)CC3)CC2)c(O)c1 ZINC001237048586 1313576041 /nfs/dbraw/zinc/57/60/41/1313576041.db2.gz UIPGCKFZVIGDQH-UHFFFAOYSA-N 1 0 348.487 2.866 20 10 EFCDRO C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C(C)(C)C[NH+](C)C ZINC000085367311 1299016398 /nfs/dbraw/zinc/01/63/98/1299016398.db2.gz GZHOSPOKZPDNTK-ZDUSSCGKSA-N 1 0 338.471 2.667 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](CO)CC2)c(Br)c1 ZINC001237065812 1313580219 /nfs/dbraw/zinc/58/02/19/1313580219.db2.gz RRAZRQQYELHKGY-LLVKDONJSA-N 1 0 344.249 2.758 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c(Br)c1 ZINC001237064903 1313580486 /nfs/dbraw/zinc/58/04/86/1313580486.db2.gz KRDUNMYBYBSMRD-XYPYZODXSA-N 1 0 344.249 2.899 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2C[C@H](CO)CC[C@H]2C)c(Br)c1 ZINC001237066452 1313580714 /nfs/dbraw/zinc/58/07/14/1313580714.db2.gz VXGIEHNJQDWTEB-GHMZBOCLSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](CO)CC[C@H]2C)c(Br)c1 ZINC001237066453 1313581130 /nfs/dbraw/zinc/58/11/30/1313581130.db2.gz VXGIEHNJQDWTEB-MNOVXSKESA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2C[C@H](CO)CC[C@@H]2C)c(Br)c1 ZINC001237066455 1313581161 /nfs/dbraw/zinc/58/11/61/1313581161.db2.gz VXGIEHNJQDWTEB-WDEREUQCSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@]23CCOC3)c(Br)c1 ZINC001237071135 1313581674 /nfs/dbraw/zinc/58/16/74/1313581674.db2.gz QJAAXSJZYUHTKG-OAHLLOKOSA-N 1 0 342.233 2.918 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C(C)=O)C2)c(Br)c1 ZINC001237072012 1313581949 /nfs/dbraw/zinc/58/19/49/1313581949.db2.gz ZDKCADGTDBXDNJ-NSHDSACASA-N 1 0 342.233 2.964 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3ccn(C)c3)C2)cc1C ZINC000961713204 1299044988 /nfs/dbraw/zinc/04/49/88/1299044988.db2.gz UBNPUKZEOASRPH-UHFFFAOYSA-N 1 0 341.455 2.640 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@H](Oc3cc(OC)ccn3)C2)c(O)c1 ZINC001237048674 1313576437 /nfs/dbraw/zinc/57/64/37/1313576437.db2.gz VLFOTHKSPPWCOG-KRWDZBQOSA-N 1 0 344.411 2.848 20 10 EFCDRO COC(=O)[C@@]1(C)CCCN1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237053525 1313576691 /nfs/dbraw/zinc/57/66/91/1313576691.db2.gz NRIRNNWXLROPFP-OAHLLOKOSA-N 1 0 347.333 2.861 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC001237053973 1313577767 /nfs/dbraw/zinc/57/77/67/1313577767.db2.gz RYNHAWVGJLLCOW-OAHLLOKOSA-N 1 0 331.334 2.946 20 10 EFCDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(OCC(F)(F)F)cc1O ZINC001237055604 1313578134 /nfs/dbraw/zinc/57/81/34/1313578134.db2.gz GXFCCBPHGZOJQZ-BETUJISGSA-N 1 0 330.350 2.612 20 10 EFCDRO Cc1cc(C)c(C[NH+]2CCC3(CN(Cc4cn[nH]c4)C3)CC2)c(O)c1 ZINC001276365745 1299075081 /nfs/dbraw/zinc/07/50/81/1299075081.db2.gz UKRDGMOPTCWMMM-UHFFFAOYSA-N 1 0 340.471 2.830 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1C[NH+]1CCC(n2cnnc2)CC1 ZINC001237123355 1313590367 /nfs/dbraw/zinc/59/03/67/1313590367.db2.gz PWBXGOPKQVYPMF-UHFFFAOYSA-N 1 0 342.321 2.719 20 10 EFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237121000 1313590640 /nfs/dbraw/zinc/59/06/40/1313590640.db2.gz SXFZCFKPPHGEBU-JTQLQIEISA-N 1 0 333.306 2.676 20 10 EFCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237125859 1313591368 /nfs/dbraw/zinc/59/13/68/1313591368.db2.gz QNKNSUTYYQJFAR-CQSZACIVSA-N 1 0 333.306 2.676 20 10 EFCDRO CN1CC2(CC1=O)CC[NH+](Cc1cc(C(F)(F)F)ccc1O)CC2 ZINC001237143040 1313592733 /nfs/dbraw/zinc/59/27/33/1313592733.db2.gz JMFVTOHOUIRXIF-UHFFFAOYSA-N 1 0 342.361 2.855 20 10 EFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H]1CCCC[C@@H]1O ZINC000305853078 1299206697 /nfs/dbraw/zinc/20/66/97/1299206697.db2.gz VOVBBWRJYPFLJX-LPHOPBHVSA-N 1 0 336.451 2.645 20 10 EFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@H]1CCCC[C@@H]1O ZINC000305853077 1299207115 /nfs/dbraw/zinc/20/71/15/1299207115.db2.gz VOVBBWRJYPFLJX-APWZRJJASA-N 1 0 336.451 2.645 20 10 EFCDRO CN1CCO[C@]2(CCC[N@H+](Cc3ccc(C(F)(F)F)cc3O)C2)C1 ZINC001276505716 1313604638 /nfs/dbraw/zinc/60/46/38/1313604638.db2.gz WMERGEFHBBSNAJ-MRXNPFEDSA-N 1 0 344.377 2.708 20 10 EFCDRO O=S1(=O)CCN(c2ccc(C[N@@H+]3CC[C@H]4CCC[C@H]4C3)cc2)CC1 ZINC001237204600 1313605001 /nfs/dbraw/zinc/60/50/01/1313605001.db2.gz COWJXLYMKNOADQ-MSOLQXFVSA-N 1 0 348.512 2.543 20 10 EFCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC001237204452 1313605050 /nfs/dbraw/zinc/60/50/50/1313605050.db2.gz AEPQVLXBSFAMDJ-MRXNPFEDSA-N 1 0 336.501 2.543 20 10 EFCDRO Oc1c(C[N@@H+]2CCNC3=CCCC[C@@H]32)cc2c3c1CCCN3CCC2 ZINC001237217659 1313608000 /nfs/dbraw/zinc/60/80/00/1313608000.db2.gz CCCVCUGCHMYTDK-IBGZPJMESA-N 1 0 339.483 2.933 20 10 EFCDRO c1ccc2oc(-c3ccc(N4CCN(C[C@H]5CC[NH2+]5)CC4)cc3)nc2c1 ZINC001237259699 1313614082 /nfs/dbraw/zinc/61/40/82/1313614082.db2.gz XCJONPVTNMSVDP-QGZVFWFLSA-N 1 0 348.450 2.979 20 10 EFCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000109769753 1299336653 /nfs/dbraw/zinc/33/66/53/1299336653.db2.gz NTAGQCVXGJQAKB-MRXNPFEDSA-N 1 0 341.367 2.538 20 10 EFCDRO O=C(CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)NC1CCCC1 ZINC000109761969 1299337276 /nfs/dbraw/zinc/33/72/76/1299337276.db2.gz PDPFNBAJGSCDHY-GOSISDBHSA-N 1 0 346.471 2.822 20 10 EFCDRO O=C(CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)NC1CCCC1 ZINC000109761966 1299337907 /nfs/dbraw/zinc/33/79/07/1299337907.db2.gz PDPFNBAJGSCDHY-SFHVURJKSA-N 1 0 346.471 2.822 20 10 EFCDRO CCC[N@H+](CCn1cnc(Br)n1)Cc1ccccc1O ZINC000851792975 1299398249 /nfs/dbraw/zinc/39/82/49/1299398249.db2.gz VPLGCORWCVUAJG-UHFFFAOYSA-N 1 0 339.237 2.658 20 10 EFCDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(N(CC)CC)cc2)C1 ZINC000851986690 1299493387 /nfs/dbraw/zinc/49/33/87/1299493387.db2.gz FAKOTIGPGQBLEN-QGZVFWFLSA-N 1 0 332.492 2.816 20 10 EFCDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000851988459 1299493743 /nfs/dbraw/zinc/49/37/43/1299493743.db2.gz YQNUYLYLYULPJY-QGZVFWFLSA-N 1 0 330.476 2.570 20 10 EFCDRO CCCC[N@H+](CCc1nnn(C(C)(C)C)n1)Cc1ccccc1O ZINC000852018940 1299508782 /nfs/dbraw/zinc/50/87/82/1299508782.db2.gz ULTKOGWEHIWKHI-UHFFFAOYSA-N 1 0 331.464 2.979 20 10 EFCDRO Oc1ccc(Br)cc1CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237383895 1313634083 /nfs/dbraw/zinc/63/40/83/1313634083.db2.gz SFICNZOMYUGDNK-SMDDNHRTSA-N 1 0 325.250 2.729 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3CC34CC4)C2)cc1C ZINC000962358233 1299614589 /nfs/dbraw/zinc/61/45/89/1299614589.db2.gz XFNWQRDLIMNZPD-JCYILVPMSA-N 1 0 328.456 2.788 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)CCSC)C2)cc1C ZINC001207213719 1313638378 /nfs/dbraw/zinc/63/83/78/1313638378.db2.gz PQPIKKSCNXZBTI-INIZCTEOSA-N 1 0 336.501 2.837 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237413111 1313641033 /nfs/dbraw/zinc/64/10/33/1313641033.db2.gz JHMKHJXBZUFYGZ-APWZRJJASA-N 1 0 349.906 2.751 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237413115 1313641157 /nfs/dbraw/zinc/64/11/57/1313641157.db2.gz JHMKHJXBZUFYGZ-QFBILLFUSA-N 1 0 349.906 2.751 20 10 EFCDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000852605987 1299779325 /nfs/dbraw/zinc/77/93/25/1299779325.db2.gz ZRPBNNVJPGVOFS-MRXNPFEDSA-N 1 0 332.492 2.672 20 10 EFCDRO Cc1cc(C)cc(CC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000852791050 1299888781 /nfs/dbraw/zinc/88/87/81/1299888781.db2.gz CIORFBKUHZDXEF-IBGZPJMESA-N 1 0 325.456 2.728 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCc3cc(F)ccc32)cc1 ZINC000852790791 1299888917 /nfs/dbraw/zinc/88/89/17/1299888917.db2.gz BMPNNEZEMFGARD-RBUKOAKNSA-N 1 0 341.430 2.738 20 10 EFCDRO CCN1C(=O)[C@]2(CC[C@@H]3C[N@H+](Cc4c(C)cccc4O)C[C@@H]32)N=C1C ZINC001237487591 1313654973 /nfs/dbraw/zinc/65/49/73/1313654973.db2.gz BWLFDHGZTWRBTO-OXFYSEKESA-N 1 0 341.455 2.562 20 10 EFCDRO Cc1cccc(O)c1C[N@H+]1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001237487605 1313655083 /nfs/dbraw/zinc/65/50/83/1313655083.db2.gz CFCVFXCFHKELNS-KRWDZBQOSA-N 1 0 341.455 2.956 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@]2(CCCN(C(=O)C(C)C)C2)C1 ZINC001237488565 1313655174 /nfs/dbraw/zinc/65/51/74/1313655174.db2.gz NWPMZJCQKWNPNN-HXUWFJFHSA-N 1 0 346.471 2.550 20 10 EFCDRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3c(C)cccc3O)O2)n1 ZINC001237486795 1313655324 /nfs/dbraw/zinc/65/53/24/1313655324.db2.gz UMKVPHUYCOVWIS-DJIMGWMZSA-N 1 0 329.400 2.887 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1C(=O)NC(=O)OC(C)(C)C ZINC001237493513 1313655551 /nfs/dbraw/zinc/65/55/51/1313655551.db2.gz YYYSIXVFHJHRGU-AWEZNQCLSA-N 1 0 334.416 2.716 20 10 EFCDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000852855464 1299915211 /nfs/dbraw/zinc/91/52/11/1299915211.db2.gz ZPMPWJXNEVGIES-HXUWFJFHSA-N 1 0 337.467 2.587 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+](C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001237495307 1313655924 /nfs/dbraw/zinc/65/59/24/1313655924.db2.gz PCCTYCULZDQIIP-QLPKVWCKSA-N 1 0 332.444 2.998 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000853244171 1300064871 /nfs/dbraw/zinc/06/48/71/1300064871.db2.gz FVTYGICRKIOJNZ-SFHVURJKSA-N 1 0 344.503 2.674 20 10 EFCDRO Cc1cccc(OCCCNC(=O)C[N@@H+](C)Cc2ccccc2O)c1 ZINC000111235805 1300079041 /nfs/dbraw/zinc/07/90/41/1300079041.db2.gz FXERLUJDSOOKHP-UHFFFAOYSA-N 1 0 342.439 2.718 20 10 EFCDRO Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235999 1300080437 /nfs/dbraw/zinc/08/04/37/1300080437.db2.gz JFZBAWUUQBYQBN-MRXNPFEDSA-N 1 0 326.440 2.880 20 10 EFCDRO C[N@@H+]1CCC[C@]2(CCCN(C(=O)c3ccc(O)c(O)c3Cl)C2)C1 ZINC001276527646 1313669326 /nfs/dbraw/zinc/66/93/26/1313669326.db2.gz UPCFPUTXWQKSSS-KRWDZBQOSA-N 1 0 338.835 2.699 20 10 EFCDRO COC(=O)NC1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC000853626069 1300199243 /nfs/dbraw/zinc/19/92/43/1300199243.db2.gz NGCDWRDCBCKOMZ-UHFFFAOYSA-N 1 0 344.411 2.874 20 10 EFCDRO CC(C)COC(=O)N1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000776688319 1300230178 /nfs/dbraw/zinc/23/01/78/1300230178.db2.gz AUEOCZBLBYSHMS-UHFFFAOYSA-N 1 0 332.444 2.968 20 10 EFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000111510406 1300232180 /nfs/dbraw/zinc/23/21/80/1300232180.db2.gz VFJRFIGHRGIMOK-SFHVURJKSA-N 1 0 332.492 2.768 20 10 EFCDRO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000962978816 1300252345 /nfs/dbraw/zinc/25/23/45/1300252345.db2.gz XCDDWTAGWVBLTO-DANNLKNASA-N 1 0 343.431 2.555 20 10 EFCDRO C[C@]1(CO)C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC[C@@H]1O ZINC001237640694 1313682387 /nfs/dbraw/zinc/68/23/87/1313682387.db2.gz DYUIQRWWSSPFEJ-VQTJNVASSA-N 1 0 345.414 2.764 20 10 EFCDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237640406 1313682432 /nfs/dbraw/zinc/68/24/32/1313682432.db2.gz AWCOKPNMSFNNAP-OAHLLOKOSA-N 1 0 328.387 2.896 20 10 EFCDRO C[C@@]1(CO)CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C[C@H]1O ZINC001237640458 1313682667 /nfs/dbraw/zinc/68/26/67/1313682667.db2.gz BTOINQDBYGNQCU-UXHICEINSA-N 1 0 345.414 2.764 20 10 EFCDRO C[N@H+](CCN1CCOCC1)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237641173 1313682691 /nfs/dbraw/zinc/68/26/91/1313682691.db2.gz NTASIYXYFFNLNZ-UHFFFAOYSA-N 1 0 344.430 2.962 20 10 EFCDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCCSc2nccs2)C1 ZINC000853856272 1300312567 /nfs/dbraw/zinc/31/25/67/1300312567.db2.gz WQINGXKTNQCLOD-GFCCVEGCSA-N 1 0 342.534 2.797 20 10 EFCDRO CN(C1COC1)C1C[NH+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237647344 1313685041 /nfs/dbraw/zinc/68/50/41/1313685041.db2.gz UBYIFXIANRGILG-UHFFFAOYSA-N 1 0 342.414 2.713 20 10 EFCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000776700188 1300348505 /nfs/dbraw/zinc/34/85/05/1300348505.db2.gz JBDYLAGYMFDAIA-LLVKDONJSA-N 1 0 348.349 2.574 20 10 EFCDRO CCc1noc([C@H]2CCC[N@H+](Cc3cc(OC)cc(OC)c3O)C2)n1 ZINC001237679417 1313689927 /nfs/dbraw/zinc/68/99/27/1313689927.db2.gz UXYULWKYGCVXQQ-LBPRGKRZSA-N 1 0 347.415 2.734 20 10 EFCDRO CCOC(=O)[C@H]1CCCC[N@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237680613 1313690183 /nfs/dbraw/zinc/69/01/83/1313690183.db2.gz KXYMPWCXPFOGCL-ZDUSSCGKSA-N 1 0 337.416 2.575 20 10 EFCDRO Cc1cc(O)c(CN2CC[NH+](CC3CC3)CC2)cc1Br ZINC001237679854 1313690330 /nfs/dbraw/zinc/69/03/30/1313690330.db2.gz VNVVXZNBGUMHRQ-UHFFFAOYSA-N 1 0 339.277 2.991 20 10 EFCDRO COc1cc(CN2CCc3nc(C4CC4)ncc3C2)c(O)c(OC)c1 ZINC001237681076 1313690628 /nfs/dbraw/zinc/69/06/28/1313690628.db2.gz ODLYXTDHOHSAIM-UHFFFAOYSA-N 1 0 341.411 2.635 20 10 EFCDRO Cc1cc(Cl)cc(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)c1O ZINC001237687029 1313691366 /nfs/dbraw/zinc/69/13/66/1313691366.db2.gz VRJYOBMCXKNHKZ-HUUCEWRRSA-N 1 0 344.846 2.712 20 10 EFCDRO CCCCOC(=O)[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237686473 1313691397 /nfs/dbraw/zinc/69/13/97/1313691397.db2.gz ZWOWHIMUPGETIQ-ZDUSSCGKSA-N 1 0 337.416 2.575 20 10 EFCDRO Cc1cc(Cl)cc(C[N@@H+]2CC3CC2(C(=O)N2CCCC2)C3)c1O ZINC001237686968 1313691702 /nfs/dbraw/zinc/69/17/02/1313691702.db2.gz VOAMZMFYABVCGY-UHFFFAOYSA-N 1 0 334.847 2.941 20 10 EFCDRO COCC[N@H+](Cc1cc(Cl)cc(C)c1O)C1CCN(C)CC1 ZINC001237687554 1313692255 /nfs/dbraw/zinc/69/22/55/1313692255.db2.gz LVDAYFGRQALFSN-UHFFFAOYSA-N 1 0 326.868 2.897 20 10 EFCDRO COC(=O)CCN(CCC[NH+](C)C)Cc1cc(Cl)cc(C)c1O ZINC001237687877 1313692718 /nfs/dbraw/zinc/69/27/18/1313692718.db2.gz XLFORKPBKFBVSB-UHFFFAOYSA-N 1 0 342.867 2.671 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)c(O)c(OC)c1 ZINC001237675049 1313688822 /nfs/dbraw/zinc/68/88/22/1313688822.db2.gz RDDMFKMCYWIJFL-BMIGLBTASA-N 1 0 349.349 2.545 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(O)c(OC)c1 ZINC001237675080 1313689010 /nfs/dbraw/zinc/68/90/10/1313689010.db2.gz SCDDHJJFRXESKE-OAHLLOKOSA-N 1 0 349.349 2.689 20 10 EFCDRO [O-]c1c(F)cccc1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001276537833 1313704841 /nfs/dbraw/zinc/70/48/41/1313704841.db2.gz NOKNZVABBXNAKT-MOPGFXCFSA-N 1 0 344.434 2.979 20 10 EFCDRO CCCC[N@H+](C)CCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000112309388 1300602243 /nfs/dbraw/zinc/60/22/43/1300602243.db2.gz RYABSDABGBWZRL-UHFFFAOYSA-N 1 0 328.460 2.951 20 10 EFCDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccc(N(C)C)cc2)C[C@@H](C)O1 ZINC000245567255 1300661250 /nfs/dbraw/zinc/66/12/50/1300661250.db2.gz UGZADKZGWWWZDE-MBOZVWFJSA-N 1 0 331.504 2.826 20 10 EFCDRO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+](C)Cc1ccccc1O ZINC000112583572 1300677547 /nfs/dbraw/zinc/67/75/47/1300677547.db2.gz UDOXVHPQHHYQBC-LBPRGKRZSA-N 1 0 328.368 2.580 20 10 EFCDRO CC(C)c1cccc(S(=O)(=O)Nc2cccc(N3CC([NH3+])C3)c2)c1 ZINC001237813904 1313711752 /nfs/dbraw/zinc/71/17/52/1313711752.db2.gz QYAURUYOWSEPSE-UHFFFAOYSA-N 1 0 345.468 2.758 20 10 EFCDRO CCO[C@H](CC)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207574377 1313721721 /nfs/dbraw/zinc/72/17/21/1313721721.db2.gz CJNJWMBFEDREQI-QZTJIDSGSA-N 1 0 348.487 2.899 20 10 EFCDRO O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000855809538 1301126522 /nfs/dbraw/zinc/12/65/22/1301126522.db2.gz HGFHYWIGPOTMNZ-SOIVGHGOSA-N 1 0 330.428 2.634 20 10 EFCDRO Cc1cc(N2CC[NH+](Cc3cc(F)cc(C)c3O)CC2)nc(C)n1 ZINC001238060659 1313753256 /nfs/dbraw/zinc/75/32/56/1313753256.db2.gz DMFUCDGZVKRJTB-UHFFFAOYSA-N 1 0 330.407 2.569 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)c1O ZINC001238063013 1313754072 /nfs/dbraw/zinc/75/40/72/1313754072.db2.gz ZDDIKSQDNPEIDV-WMLDXEAASA-N 1 0 334.435 2.919 20 10 EFCDRO Cc1cnc(O[C@@H]2CCC[N@H+](Cc3cc(F)cc(C)c3O)C2)nc1 ZINC001238064824 1313754159 /nfs/dbraw/zinc/75/41/59/1313754159.db2.gz CMESIAADHCTMLO-MRXNPFEDSA-N 1 0 331.391 2.982 20 10 EFCDRO COc1ccc(O[C@H]2CC[N@H+](Cc3cc(F)cc(C)c3O)C2)nc1 ZINC001238064760 1313754369 /nfs/dbraw/zinc/75/43/69/1313754369.db2.gz BCFSELRSKXJBMZ-INIZCTEOSA-N 1 0 332.375 2.897 20 10 EFCDRO COc1cc(O[C@H]2CC[N@H+](Cc3cc(F)cc(C)c3O)C2)ccn1 ZINC001238066307 1313754819 /nfs/dbraw/zinc/75/48/19/1313754819.db2.gz MCRFCIZDPQBUPD-INIZCTEOSA-N 1 0 332.375 2.897 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccncc3)C2)c1O ZINC001238067921 1313754876 /nfs/dbraw/zinc/75/48/76/1313754876.db2.gz SEHGVCLCRYTBOS-QGZVFWFLSA-N 1 0 343.402 2.629 20 10 EFCDRO COC1CC[NH+](C2CCN(Cc3cc(F)cc(C)c3O)CC2)CC1 ZINC001238067877 1313754894 /nfs/dbraw/zinc/75/48/94/1313754894.db2.gz QUHHTXFPRPAIPR-UHFFFAOYSA-N 1 0 336.451 2.915 20 10 EFCDRO Cc1cc(F)cc(C[NH+]2CCC(NC(=O)N3CCCCC3)CC2)c1O ZINC001238069481 1313755136 /nfs/dbraw/zinc/75/51/36/1313755136.db2.gz ZITMYNCVNUCSCJ-UHFFFAOYSA-N 1 0 349.450 3.000 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@@H](C)CCC[C@H]1C)cc2=O ZINC000246483550 1301499029 /nfs/dbraw/zinc/49/90/29/1301499029.db2.gz AGFFFHPRVAARNI-QWHCGFSZSA-N 1 0 346.431 2.622 20 10 EFCDRO [NH3+]C1CC(NS(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)C1 ZINC001238168825 1313775064 /nfs/dbraw/zinc/77/50/64/1313775064.db2.gz VTTUCACUMAUYGK-VHEBQXMUSA-N 1 0 330.413 2.870 20 10 EFCDRO CC1(NS(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)C[NH2+]C1 ZINC001238202613 1313783849 /nfs/dbraw/zinc/78/38/49/1313783849.db2.gz YYAMEPVDFDVPTP-VHEBQXMUSA-N 1 0 330.413 2.742 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)cc1C ZINC000796470342 1302047186 /nfs/dbraw/zinc/04/71/86/1302047186.db2.gz URBKLGZBTGREKT-KRWDZBQOSA-N 1 0 331.460 2.773 20 10 EFCDRO COc1ccc(O)c(CNC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000246766502 1302256268 /nfs/dbraw/zinc/25/62/68/1302256268.db2.gz OEHQUPISRLRPDX-ZNMIVQPWSA-N 1 0 349.475 2.566 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC1([NH+](C)C)CC1 ZINC000862009003 1302264826 /nfs/dbraw/zinc/26/48/26/1302264826.db2.gz SNAWNXAZSAXKFB-UHFFFAOYSA-N 1 0 339.439 2.731 20 10 EFCDRO NC(=O)CC[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862236382 1302317872 /nfs/dbraw/zinc/31/78/72/1302317872.db2.gz TYPKDNXSUASNOR-LLVKDONJSA-N 1 0 341.249 2.632 20 10 EFCDRO COCCOC[C@@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862251010 1302321470 /nfs/dbraw/zinc/32/14/70/1302321470.db2.gz XXGUPNALBJREEP-CYBMUJFWSA-N 1 0 328.403 2.516 20 10 EFCDRO CC[N@H+](C)C[C@H]1CCN(Cc2c(O)cccc2Br)C1 ZINC000862250292 1302322882 /nfs/dbraw/zinc/32/28/82/1302322882.db2.gz MOKYLZDGJHQZQB-GFCCVEGCSA-N 1 0 327.266 2.928 20 10 EFCDRO CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2cccc(OC)c2O)c1C ZINC000862367479 1302348607 /nfs/dbraw/zinc/34/86/07/1302348607.db2.gz KEIIJBHFAAQINW-UHFFFAOYSA-N 1 0 332.400 2.812 20 10 EFCDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC000862383499 1302357626 /nfs/dbraw/zinc/35/76/26/1302357626.db2.gz AFQWCYJSHIIKPM-SKDRFNHKSA-N 1 0 328.206 2.586 20 10 EFCDRO C[C@@H](CO)C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862402889 1302370239 /nfs/dbraw/zinc/37/02/39/1302370239.db2.gz MKURPNBSRYAKDD-NSHDSACASA-N 1 0 328.250 2.995 20 10 EFCDRO COc1cccc2c1CN(Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000862530082 1302405122 /nfs/dbraw/zinc/40/51/22/1302405122.db2.gz VEBBWSFUYPLHRY-UHFFFAOYSA-N 1 0 337.467 2.963 20 10 EFCDRO COCCOc1ccc(N2CC[NH+](CC3(C)CCOCC3)CC2)cc1 ZINC001208080008 1313842149 /nfs/dbraw/zinc/84/21/49/1313842149.db2.gz ZHXBXISCQBWECO-UHFFFAOYSA-N 1 0 348.487 2.651 20 10 EFCDRO CN(C)C(=O)C1=CC2(CC1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001278255179 1313844509 /nfs/dbraw/zinc/84/45/09/1313844509.db2.gz NQXQTWKWWBAPCC-UHFFFAOYSA-N 1 0 332.419 2.922 20 10 EFCDRO CC(C)N1CCC[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)C1=O ZINC000748270932 1313844666 /nfs/dbraw/zinc/84/46/66/1313844666.db2.gz ZYIUZDFLMPBFNQ-VQIMIIECSA-N 1 0 345.487 2.573 20 10 EFCDRO Cc1c(CN2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c2ccccc2n1C ZINC001276555863 1313849212 /nfs/dbraw/zinc/84/92/12/1313849212.db2.gz FKHSQFLZBIPDTE-HDICACEKSA-N 1 0 340.515 2.697 20 10 EFCDRO CCOc1ccc(O)c(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000863646841 1302667539 /nfs/dbraw/zinc/66/75/39/1302667539.db2.gz PXNWIKSRIOFVIH-JSGCOSHPSA-N 1 0 332.366 2.750 20 10 EFCDRO CCOc1ccc(O)c(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000863646839 1302667823 /nfs/dbraw/zinc/66/78/23/1302667823.db2.gz PXNWIKSRIOFVIH-GXTWGEPZSA-N 1 0 332.366 2.750 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@H](C)O[C@@]4(CCOC4)C3)c2c1 ZINC000794707375 1303016452 /nfs/dbraw/zinc/01/64/52/1303016452.db2.gz RNTVDFLFBVPERI-XOBRGWDASA-N 1 0 343.423 2.934 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000246998876 1303064139 /nfs/dbraw/zinc/06/41/39/1303064139.db2.gz KQCMLPAOBSYSGL-BFHYXJOUSA-N 1 0 335.448 2.634 20 10 EFCDRO [NH3+][C@H]1CCN(S(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)C1 ZINC001239118814 1313905789 /nfs/dbraw/zinc/90/57/89/1313905789.db2.gz GDASIHFPQARRLR-HVCBDAARSA-N 1 0 330.413 2.824 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]Cc2conc2C)c1O ZINC000865678433 1303362960 /nfs/dbraw/zinc/36/29/60/1303362960.db2.gz JNELXNJKVOIXFM-UHFFFAOYSA-N 1 0 327.178 2.750 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@]2(CCCOC2)O1 ZINC000794886865 1303477786 /nfs/dbraw/zinc/47/77/86/1303477786.db2.gz BHKKBXDEFGHREV-KUHUBIRLSA-N 1 0 328.412 2.710 20 10 EFCDRO O=C(N1CCCC12CC2)C12CC([NH2+]Cc3ccc4c(c3)CCO4)(C1)C2 ZINC001278290524 1313917006 /nfs/dbraw/zinc/91/70/06/1313917006.db2.gz QPKDXQSCIAWESL-UHFFFAOYSA-N 1 0 338.451 2.789 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)CC1 ZINC000866391696 1303621036 /nfs/dbraw/zinc/62/10/36/1303621036.db2.gz NUJJJEYNZCUFJR-UFYCRDLUSA-N 1 0 342.483 2.695 20 10 EFCDRO COCC(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001208566211 1313962921 /nfs/dbraw/zinc/96/29/21/1313962921.db2.gz FJPSUHVTQBXAON-KRWDZBQOSA-N 1 0 348.487 2.757 20 10 EFCDRO [NH3+]Cc1cncc(-c2ncccc2C(=O)N2CCc3ccccc32)c1 ZINC001239790788 1313963747 /nfs/dbraw/zinc/96/37/47/1313963747.db2.gz BGMPRBYDXQICMC-UHFFFAOYSA-N 1 0 330.391 2.805 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccnc(F)c3)C2)cc1C ZINC001018606870 1313966969 /nfs/dbraw/zinc/96/69/69/1313966969.db2.gz FEKHUTFXNNBGQE-INIZCTEOSA-N 1 0 343.402 2.542 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccoc3C)C2)cc1C ZINC000966885802 1304394678 /nfs/dbraw/zinc/39/46/78/1304394678.db2.gz FQBNDSFJWHRUBD-MRXNPFEDSA-N 1 0 328.412 2.909 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cncc(F)c3)C2)cc1C ZINC001018702456 1314009546 /nfs/dbraw/zinc/00/95/46/1314009546.db2.gz DCOIPRMVBPARMD-KRWDZBQOSA-N 1 0 343.402 2.542 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000122653629 1304855376 /nfs/dbraw/zinc/85/53/76/1304855376.db2.gz GINYQDKCSFQOJO-HNNXBMFYSA-N 1 0 336.443 2.888 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC(F)(F)F)C2)cc1C ZINC000967490736 1305068285 /nfs/dbraw/zinc/06/82/85/1305068285.db2.gz HAIFENLQPQPFTJ-CYBMUJFWSA-N 1 0 330.350 2.647 20 10 EFCDRO CC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1CC ZINC001037975591 1305504071 /nfs/dbraw/zinc/50/40/71/1305504071.db2.gz HKZYFWJAIGMADV-SWLSCSKDSA-N 1 0 331.420 2.699 20 10 EFCDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2ccccc2O)s1 ZINC000796527784 1305981299 /nfs/dbraw/zinc/98/12/99/1305981299.db2.gz ASTQJRJBSIFJGR-MNOVXSKESA-N 1 0 334.445 2.559 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCc3ccoc3)C2)cc1C ZINC000968373518 1306210755 /nfs/dbraw/zinc/21/07/55/1306210755.db2.gz JQUOPZOTSFKRFM-GOSISDBHSA-N 1 0 342.439 2.920 20 10 EFCDRO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](CC2COC(C)(C)OC2)C1 ZINC001209199956 1314114338 /nfs/dbraw/zinc/11/43/38/1314114338.db2.gz XHKYSJVRWHJYOP-UHFFFAOYSA-N 1 0 344.455 2.944 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[C@@H]3CCCCO3)C2)cc1C ZINC000968388487 1306236375 /nfs/dbraw/zinc/23/63/75/1306236375.db2.gz TZODIPQYHPPDIG-MSOLQXFVSA-N 1 0 346.471 2.653 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3ccoc3)C2)cc1C ZINC000968490659 1306392759 /nfs/dbraw/zinc/39/27/59/1306392759.db2.gz YDHFTLADKAOEOS-QGZVFWFLSA-N 1 0 328.412 2.530 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccncc3C)C2)cc1C ZINC000968611355 1306504581 /nfs/dbraw/zinc/50/45/81/1306504581.db2.gz QFMRVHINCHMKKH-QGZVFWFLSA-N 1 0 339.439 2.711 20 10 EFCDRO C[C@H]1CC[N@H+](CC2CC2)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000968684316 1306564900 /nfs/dbraw/zinc/56/49/00/1306564900.db2.gz AAILLIHUACAPGF-BLLLJJGKSA-N 1 0 343.431 2.699 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968684806 1306565817 /nfs/dbraw/zinc/56/58/17/1306565817.db2.gz ITXZMOMAPMUNFT-CZUORRHYSA-N 1 0 345.447 2.945 20 10 EFCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(C)c(Br)cc1O ZINC001250133679 1315177253 /nfs/dbraw/zinc/17/72/53/1315177253.db2.gz PDQMWBWHQNLESZ-LBPRGKRZSA-N 1 0 342.233 2.991 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C[C@@H]2CCCO2)cc1C ZINC001044943794 1306943848 /nfs/dbraw/zinc/94/38/48/1306943848.db2.gz UBINEDXCVPLHJP-ROUUACIJSA-N 1 0 346.471 2.653 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C[C@H]2CCCO2)cc1C ZINC001044943795 1306944595 /nfs/dbraw/zinc/94/45/95/1306944595.db2.gz UBINEDXCVPLHJP-ZWKOTPCHSA-N 1 0 346.471 2.653 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](OC)C2CC2)cc1C ZINC001045019081 1306998027 /nfs/dbraw/zinc/99/80/27/1306998027.db2.gz FVJGVNWRONSUCP-HKUYNNGSSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C2CC(OC)C2)cc1C ZINC001045082686 1307038965 /nfs/dbraw/zinc/03/89/65/1307038965.db2.gz XIVNURJKXZBDAJ-ADKAHSJRSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](OC)C(C)C)cc1C ZINC001045184391 1307119608 /nfs/dbraw/zinc/11/96/08/1307119608.db2.gz PCYHNGFMSSBBBD-HKUYNNGSSA-N 1 0 348.487 2.755 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@]2(C)CCOC2)cc1C ZINC001045254903 1307179185 /nfs/dbraw/zinc/17/91/85/1307179185.db2.gz NEMJJWBZZVZXKJ-FXAWDEMLSA-N 1 0 346.471 2.511 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2C[NH2+]CC2CCC2)cc1 ZINC001045326226 1307244893 /nfs/dbraw/zinc/24/48/93/1307244893.db2.gz QGSCJYOKPALHMY-INIZCTEOSA-N 1 0 343.431 2.843 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC001209516869 1314178471 /nfs/dbraw/zinc/17/84/71/1314178471.db2.gz REAZUALQRCWWGU-FQEVSTJZSA-N 1 0 325.456 2.611 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(C[N@H+](C)CCN2CCOCC2)cc1 ZINC001209517976 1314178530 /nfs/dbraw/zinc/17/85/30/1314178530.db2.gz JRZVZXYIHURWQN-UHFFFAOYSA-N 1 0 327.472 2.858 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(-n3c(C)ccc3C)cc2)CCCO1 ZINC001209520165 1314179148 /nfs/dbraw/zinc/17/91/48/1314179148.db2.gz PFQITIOTLPKIAH-IBGZPJMESA-N 1 0 342.439 2.858 20 10 EFCDRO CNC(=O)NC1CC[NH+](Cc2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC001209520517 1314179214 /nfs/dbraw/zinc/17/92/14/1314179214.db2.gz ZWICRWLREVGCND-UHFFFAOYSA-N 1 0 340.471 2.988 20 10 EFCDRO C[C@@H]1CN(CC[N@H+](Cc2ccco2)Cc2ccccc2O)CCO1 ZINC000800355198 1307748042 /nfs/dbraw/zinc/74/80/42/1307748042.db2.gz CAVBDOUXBITMQQ-MRXNPFEDSA-N 1 0 330.428 2.708 20 10 EFCDRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)nn1C ZINC000800475279 1307921983 /nfs/dbraw/zinc/92/19/83/1307921983.db2.gz USENRKDJKBTCJO-HZPDHXFCSA-N 1 0 328.460 2.977 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)C(F)(F)F)C2)cc1C ZINC001019254622 1314239863 /nfs/dbraw/zinc/23/98/63/1314239863.db2.gz ZTEIXUGBFLJXAR-JSGCOSHPSA-N 1 0 344.377 2.893 20 10 EFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CCCC34CC4)C2)c1O ZINC001278357294 1314255317 /nfs/dbraw/zinc/25/53/17/1314255317.db2.gz HGINZOXLAXPFDO-IIBYNOLFSA-N 1 0 340.467 2.986 20 10 EFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)cc2)C1 ZINC000800968042 1308758409 /nfs/dbraw/zinc/75/84/09/1308758409.db2.gz DRZXZSCZTAHEQU-ISARSNTHSA-N 1 0 327.472 2.667 20 10 EFCDRO COc1cc(N(C)C)ccc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001210226757 1314298511 /nfs/dbraw/zinc/29/85/11/1314298511.db2.gz JWVQCZHDXJYTMD-LJQANCHMSA-N 1 0 325.456 2.908 20 10 EFCDRO CCOc1cccc(CN2CC[NH2+][C@H](Cc3ccccc3)C2)c1O ZINC001210312236 1314312693 /nfs/dbraw/zinc/31/26/93/1314312693.db2.gz WOVDZLICIVQFRV-GOSISDBHSA-N 1 0 326.440 2.807 20 10 EFCDRO CCCCN(CCCC)c1ccc(CN2CCO[C@@H](C[NH3+])C2)c(O)c1 ZINC001210398252 1314326549 /nfs/dbraw/zinc/32/65/49/1314326549.db2.gz CNFQWIMBCYQFMS-IBGZPJMESA-N 1 0 349.519 2.958 20 10 EFCDRO CCc1oncc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001019450808 1314344756 /nfs/dbraw/zinc/34/47/56/1314344756.db2.gz PRHJBACUDMMPJB-HNNXBMFYSA-N 1 0 343.427 2.558 20 10 EFCDRO CCOC(=O)c1c(CN2CC[NH2+][C@@H](C)CC2)c2ccccc2n1C ZINC001210499143 1314343553 /nfs/dbraw/zinc/34/35/53/1314343553.db2.gz SBMLCZRTVCXLBO-AWEZNQCLSA-N 1 0 329.444 2.539 20 10 EFCDRO CS(=O)(=O)N(c1ccc(N)cc1)C1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210714047 1314375870 /nfs/dbraw/zinc/37/58/70/1314375870.db2.gz IVRDSUDXZSYWFF-OAHLLOKOSA-N 1 0 335.473 2.567 20 10 EFCDRO CCCCN(Cc1ccccc1O)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000801546009 1310499431 /nfs/dbraw/zinc/49/94/31/1310499431.db2.gz HHCYNMVHPOSVPV-MRXNPFEDSA-N 1 0 336.501 2.958 20 10 EFCDRO CCCC[N@H+](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)Cc1ccccc1O ZINC000801597080 1310576241 /nfs/dbraw/zinc/57/62/41/1310576241.db2.gz AEJILUWVSKHQPF-IYBDPMFKSA-N 1 0 334.460 2.630 20 10 EFCDRO Cc1cc(Br)cc(CN2CC[C@]23CCC[NH2+]C3)c1O ZINC001222196689 1311097753 /nfs/dbraw/zinc/09/77/53/1311097753.db2.gz BCZOWWTVPJJBRO-HNNXBMFYSA-N 1 0 325.250 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CSC)C2)cc1C ZINC001047703383 1311094575 /nfs/dbraw/zinc/09/45/75/1311094575.db2.gz OWRUTZMUYXRFBB-ZBFHGGJFSA-N 1 0 336.501 2.693 20 10 EFCDRO COC(=O)c1c(CN2CCC[C@]23CCC[NH2+]C3)c2ccccc2n1C ZINC001222247682 1311104867 /nfs/dbraw/zinc/10/48/67/1311104867.db2.gz IAYLDGGNQUOCSL-FQEVSTJZSA-N 1 0 341.455 2.683 20 10 EFCDRO Cc1cc(O)c(CN2CCC[C@]3(CC[NH2+]3)C2)cc1Br ZINC001222287532 1311110269 /nfs/dbraw/zinc/11/02/69/1311110269.db2.gz LPHUJOWIFADOSM-HNNXBMFYSA-N 1 0 325.250 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)c3ccc[nH]3)C2)cc1C ZINC001047719406 1311113043 /nfs/dbraw/zinc/11/30/43/1311113043.db2.gz FPXYYNGIKQYXJB-DOTOQJQBSA-N 1 0 341.455 2.972 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)c3ccc[nH]3)C2)cc1C ZINC001047719408 1311113047 /nfs/dbraw/zinc/11/30/47/1311113047.db2.gz FPXYYNGIKQYXJB-RDJZCZTQSA-N 1 0 341.455 2.972 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)c3ccon3)C2)cc1C ZINC001047745371 1311139630 /nfs/dbraw/zinc/13/96/30/1311139630.db2.gz VXZPFSSKKHDYMM-ZBFHGGJFSA-N 1 0 343.427 2.632 20 10 EFCDRO CC(C)(C)c1cc(O)c(CN2CC[C@@H]3[NH2+]CCO[C@H]3C2)cc1Cl ZINC001222696814 1311174306 /nfs/dbraw/zinc/17/43/06/1311174306.db2.gz LAALAMURLYVSJN-RDJZCZTQSA-N 1 0 338.879 2.906 20 10 EFCDRO CN(C)C(=O)[C@@H]1CCC2(C1)CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001276913412 1311294430 /nfs/dbraw/zinc/29/44/30/1311294430.db2.gz COJGOLHGYSMYMF-OAHLLOKOSA-N 1 0 332.444 2.568 20 10 EFCDRO CN(C)C(=O)[C@H]1CCC2(C1)CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001276913410 1311294715 /nfs/dbraw/zinc/29/47/15/1311294715.db2.gz COJGOLHGYSMYMF-HNNXBMFYSA-N 1 0 332.444 2.568 20 10 EFCDRO COc1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C)nn2C)cc1 ZINC001276927401 1311313448 /nfs/dbraw/zinc/31/34/48/1311313448.db2.gz QUQUQIUTPVXGPB-CALCHBBNSA-N 1 0 326.444 2.590 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CC3(C[C@H]3C(=O)N3CCCC34CC4)C2)cc1 ZINC001276957984 1311362892 /nfs/dbraw/zinc/36/28/92/1311362892.db2.gz AXAHSPANGJBNDZ-SFHVURJKSA-N 1 0 339.483 2.730 20 10 EFCDRO CN(C)C(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001276958291 1311363526 /nfs/dbraw/zinc/36/35/26/1311363526.db2.gz ISJLJYCRMYLSBX-UYAOXDASSA-N 1 0 329.488 2.833 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CSC)cc1C ZINC001224677361 1311421941 /nfs/dbraw/zinc/42/19/41/1311421941.db2.gz WPRYUHCBDXNBIC-HZPDHXFCSA-N 1 0 336.501 2.884 20 10 EFCDRO CC(C)[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001048071738 1311432150 /nfs/dbraw/zinc/43/21/50/1311432150.db2.gz KSXOGNDWGOGDBK-GXTWGEPZSA-N 1 0 331.420 2.698 20 10 EFCDRO CC(C)[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001048071740 1311432420 /nfs/dbraw/zinc/43/24/20/1311432420.db2.gz KSXOGNDWGOGDBK-OCCSQVGLSA-N 1 0 331.420 2.698 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C(C)(C)F)C[C@@H]2C)cc1C ZINC001048113354 1311471831 /nfs/dbraw/zinc/47/18/31/1311471831.db2.gz NFSKOQUDLOMAOI-HOCLYGCPSA-N 1 0 336.451 2.936 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C(C)(F)F)C[C@H]2C)cc1C ZINC001048115458 1311474186 /nfs/dbraw/zinc/47/41/86/1311474186.db2.gz XIXWAZLZWCQOAA-HIFRSBDPSA-N 1 0 340.414 2.843 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)COC(C)C)cc1C ZINC001225202258 1311489321 /nfs/dbraw/zinc/48/93/21/1311489321.db2.gz UWFROIKEIKBPQE-QZTJIDSGSA-N 1 0 348.487 2.946 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@H](C)OC)cc1C ZINC001225266119 1311497863 /nfs/dbraw/zinc/49/78/63/1311497863.db2.gz UBOAGYIENXLKLH-CGTJXYLNSA-N 1 0 348.487 2.946 20 10 EFCDRO CC[C@H]1OCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001159626585 1311554214 /nfs/dbraw/zinc/55/42/14/1311554214.db2.gz AZGZTOOXLNYKCN-QZTJIDSGSA-N 1 0 348.487 2.805 20 10 EFCDRO Nc1ccc2c(c1NC1=CCC[NH2+]CC1)C(=O)c1ccccc1C2=O ZINC001159784250 1311583912 /nfs/dbraw/zinc/58/39/12/1311583912.db2.gz YWUHLDLFTPCPRU-UHFFFAOYSA-N 1 0 333.391 2.723 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(NC3=C[C@H]4CC[C@@H](C3)[NH2+]4)ccc(O)c21 ZINC001159783827 1311583961 /nfs/dbraw/zinc/58/39/61/1311583961.db2.gz LXXMEIIOGMNGHV-NEPJUHHUSA-N 1 0 346.386 2.988 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3(C)CC3)C[C@H]2C)cc1C ZINC001048266638 1311619436 /nfs/dbraw/zinc/61/94/36/1311619436.db2.gz OUYQXUCQQGYRNB-NVXWUHKLSA-N 1 0 330.472 2.988 20 10 EFCDRO CCc1cccc(C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001160041946 1311633098 /nfs/dbraw/zinc/63/30/98/1311633098.db2.gz PBQKPJKNKWOTEB-UHFFFAOYSA-N 1 0 341.455 2.871 20 10 EFCDRO CCN(C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(O)cc1O)C2)C(C)C ZINC001277190645 1311779406 /nfs/dbraw/zinc/77/94/06/1311779406.db2.gz NLEPEGYIEDHDTE-HGKCTWBKSA-N 1 0 346.471 2.813 20 10 EFCDRO CCN(C(=O)[C@@H]1CC12CC[NH+](Cc1ccc(O)cc1O)CC2)C(C)C ZINC001277192008 1311781099 /nfs/dbraw/zinc/78/10/99/1311781099.db2.gz JFQHVZNBFHXMKZ-KRWDZBQOSA-N 1 0 346.471 2.957 20 10 EFCDRO O=C(N1CC=CC1)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001277211239 1311808970 /nfs/dbraw/zinc/80/89/70/1311808970.db2.gz HQFORVRZFYFOEF-GHTZIAJQSA-N 1 0 337.467 2.650 20 10 EFCDRO CN1CCCc2cc(C[N@@H+]3CC[C@H]4C[C@]43C(=O)NC(C)(C)C)ccc21 ZINC001277253406 1311875217 /nfs/dbraw/zinc/87/52/17/1311875217.db2.gz CQFWZUBJJKOCOM-LAUBAEHRSA-N 1 0 341.499 2.948 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@H](Cc3nc(C)no3)C2)c(O)cc1C ZINC000902586512 1311906382 /nfs/dbraw/zinc/90/63/82/1311906382.db2.gz YLFVESBSUOCLMU-CQSZACIVSA-N 1 0 331.416 2.855 20 10 EFCDRO CC(=O)N1CCN(c2ccc(O[C@H]3CCC[N@@H+](C(C)C)C3)cc2)CC1 ZINC001228202935 1311914405 /nfs/dbraw/zinc/91/44/05/1311914405.db2.gz XPPYYAQSVBVREV-FQEVSTJZSA-N 1 0 345.487 2.607 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)CCc2cccnc2)cc1C ZINC001161936790 1312007868 /nfs/dbraw/zinc/00/78/68/1312007868.db2.gz PXVBTHZXNNOEPF-UHFFFAOYSA-N 1 0 341.455 2.627 20 10 EFCDRO CCOC(=O)c1c(C[NH3+])ncn1-c1ccc(-n2c(C)ccc2C)cc1 ZINC001162536945 1312120752 /nfs/dbraw/zinc/12/07/52/1312120752.db2.gz BNGARRRDQDTDBK-UHFFFAOYSA-N 1 0 338.411 2.915 20 10 EFCDRO O=C(NC1CCC(F)CC1)[C@@H]1CC12C[NH+](Cc1ccccc1O)C2 ZINC001277441532 1312176146 /nfs/dbraw/zinc/17/61/46/1312176146.db2.gz NGAWPCHLSSSQPX-GPANFISMSA-N 1 0 332.419 2.611 20 10 EFCDRO COc1cccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NC(C)(C)C)c1O ZINC001277451528 1312212119 /nfs/dbraw/zinc/21/21/19/1312212119.db2.gz FGKBHGPIAFHPJA-OSRSDYAFSA-N 1 0 346.471 2.820 20 10 EFCDRO CCN(C(=O)C12CC([NH2+]Cc3cccc(OC)c3O)(C1)C2)C(C)C ZINC001277451813 1312213125 /nfs/dbraw/zinc/21/31/25/1312213125.db2.gz IFTYPVGQPBLOIC-UHFFFAOYSA-N 1 0 332.444 2.670 20 10 EFCDRO CCOc1cccc(C[NH+]2CC3(C[C@@H]3C(=O)N(CC)C(C)C)C2)c1O ZINC001277453834 1312226074 /nfs/dbraw/zinc/22/60/74/1312226074.db2.gz HMAACPLFZQPHLE-MRXNPFEDSA-N 1 0 346.471 2.870 20 10 EFCDRO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NC(C)(C)C)c(O)c1 ZINC001277454086 1312228401 /nfs/dbraw/zinc/22/84/01/1312228401.db2.gz MWKQSSDCOJXCIE-JLVBRIDZSA-N 1 0 346.471 2.774 20 10 EFCDRO CCN(C(=O)C12CC([NH2+]Cc3ccc(OC)cc3O)(C1)C2)C(C)C ZINC001277456112 1312243165 /nfs/dbraw/zinc/24/31/65/1312243165.db2.gz BDMPAHNCEOHKHD-UHFFFAOYSA-N 1 0 332.444 2.670 20 10 EFCDRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccccc1O ZINC000903231554 1312482920 /nfs/dbraw/zinc/48/29/20/1312482920.db2.gz OCVBBFGJBCBRHM-CABCVRRESA-N 1 0 348.468 2.800 20 10 EFCDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000903234843 1312484670 /nfs/dbraw/zinc/48/46/70/1312484670.db2.gz QBFBEZGVVPDOIY-CQSZACIVSA-N 1 0 348.468 2.850 20 10 EFCDRO COc1ccc(Br)c(C[N@@H+]2CCCC[C@@H]2CO)c1O ZINC001231547492 1312523761 /nfs/dbraw/zinc/52/37/61/1312523761.db2.gz GSMPVLYNFGGUJS-SNVBAGLBSA-N 1 0 330.222 2.510 20 10 EFCDRO COc1ccc(Br)c(C[N@@H+]2CCCC[C@H]2CO)c1O ZINC001231547491 1312523829 /nfs/dbraw/zinc/52/38/29/1312523829.db2.gz GSMPVLYNFGGUJS-JTQLQIEISA-N 1 0 330.222 2.510 20 10 EFCDRO COc1ccc(Br)c(C[N@@H+]2CCC[C@H](CCO)C2)c1O ZINC001231554460 1312523939 /nfs/dbraw/zinc/52/39/39/1312523939.db2.gz UAIWTMAAQRGCCM-LLVKDONJSA-N 1 0 344.249 2.758 20 10 EFCDRO CCC[NH+]1CCN(Cc2c(Br)ccc(OC)c2O)CC1 ZINC001231554473 1312524248 /nfs/dbraw/zinc/52/42/48/1312524248.db2.gz UTGSEPHEPPLSKS-UHFFFAOYSA-N 1 0 343.265 2.691 20 10 EFCDRO COc1ccc(Br)c(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)c1O ZINC001231553743 1312524585 /nfs/dbraw/zinc/52/45/85/1312524585.db2.gz BUTJCSMYIFAWBL-VHSXEESVSA-N 1 0 330.222 2.509 20 10 EFCDRO O=C1CC2(CC[NH+](Cc3c(O)ccc4ccccc43)CC2)CC(=O)N1 ZINC001231590669 1312528918 /nfs/dbraw/zinc/52/89/18/1312528918.db2.gz KDHJSCUOENTKGE-UHFFFAOYSA-N 1 0 338.407 2.564 20 10 EFCDRO COc1cc(CN2CCc3ccc(C(C)=O)cc3C2)c(O)cc1O ZINC001231638304 1312536660 /nfs/dbraw/zinc/53/66/60/1312536660.db2.gz XGFFEZPRQONSKN-UHFFFAOYSA-N 1 0 327.380 2.867 20 10 EFCDRO COc1cc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c(O)cc1O ZINC001231636278 1312536821 /nfs/dbraw/zinc/53/68/21/1312536821.db2.gz RITXQAFUMZCLSI-UHFFFAOYSA-N 1 0 345.395 2.682 20 10 EFCDRO COc1cc(CN2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(O)cc1O ZINC001231636374 1312537251 /nfs/dbraw/zinc/53/72/51/1312537251.db2.gz UAYCGSVOZPCKCZ-HNNXBMFYSA-N 1 0 342.439 2.985 20 10 EFCDRO COc1cc(C[NH+](CCOC(C)C)CCOC(C)C)c(O)cc1O ZINC001231635784 1312537429 /nfs/dbraw/zinc/53/74/29/1312537429.db2.gz LMOJQUBVWUNXGB-UHFFFAOYSA-N 1 0 341.448 2.758 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3cc(C)ccn3)C2)c(O)cc1O ZINC001231640174 1312537980 /nfs/dbraw/zinc/53/79/80/1312537980.db2.gz PVRZQTKKCIZUPZ-HNNXBMFYSA-N 1 0 344.411 2.853 20 10 EFCDRO COc1cc(C[NH+]2CCN(c3ccc(F)cc3C)CC2)c(O)cc1O ZINC001231639515 1312538107 /nfs/dbraw/zinc/53/81/07/1312538107.db2.gz RRIOGCZCSLHTNM-UHFFFAOYSA-N 1 0 346.402 2.876 20 10 EFCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2cc(OC)c(O)cc2O)C[C@H]1C ZINC001231640908 1312538499 /nfs/dbraw/zinc/53/84/99/1312538499.db2.gz WGUBAOGQSWHDDK-CHWSQXEVSA-N 1 0 337.416 2.518 20 10 EFCDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000903299788 1312550099 /nfs/dbraw/zinc/55/00/99/1312550099.db2.gz RFKIARICWKZBNY-MRCXROJRSA-N 1 0 330.222 2.609 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(CCC[C@@H]3C(N)=O)C2)c(Cl)c1 ZINC001277552402 1312551556 /nfs/dbraw/zinc/55/15/56/1312551556.db2.gz YSJTUYNPFTUQPP-CRAIPNDOSA-N 1 0 335.879 2.884 20 10 EFCDRO Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)Nc3cn[nH]c3)CC2)c(O)c1 ZINC001277559362 1312557401 /nfs/dbraw/zinc/55/74/01/1312557401.db2.gz AMDYULHGBXAKGV-MRXNPFEDSA-N 1 0 340.427 2.665 20 10 EFCDRO Cc1noc(NC(=O)[C@H]2CC23C[NH+](Cc2ccc(C)cc2O)C3)c1C ZINC001277560220 1312558196 /nfs/dbraw/zinc/55/81/96/1312558196.db2.gz SQBYPHUTOLWXRS-OAHLLOKOSA-N 1 0 341.411 2.766 20 10 EFCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)c3cccnc3)C2)c(O)c1 ZINC001231847799 1312573340 /nfs/dbraw/zinc/57/33/40/1312573340.db2.gz DUGUODIASMKPCX-QGZVFWFLSA-N 1 0 339.439 2.798 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2c(C)cc(C)cc2O)Cc2c1cnn2C ZINC001231843905 1312573448 /nfs/dbraw/zinc/57/34/48/1312573448.db2.gz HGPHBTNLXVAINC-OAHLLOKOSA-N 1 0 329.444 2.878 20 10 EFCDRO COc1ccnc(O[C@H]2CCC[N@H+](Cc3c(C)cc(C)cc3O)C2)n1 ZINC001231850318 1312574191 /nfs/dbraw/zinc/57/41/91/1312574191.db2.gz MWESJVNLCPHMES-HNNXBMFYSA-N 1 0 343.427 2.851 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001231849732 1312574384 /nfs/dbraw/zinc/57/43/84/1312574384.db2.gz XOEKLPMPHBBXRK-BLLLJJGKSA-N 1 0 346.393 2.896 20 10 EFCDRO CCC1=NC2(CC[NH+](Cc3c(C)cc(C)cc3O)CC2)C(=O)N1C ZINC001231850494 1312574426 /nfs/dbraw/zinc/57/44/26/1312574426.db2.gz QRNCSGSCEJXUFZ-UHFFFAOYSA-N 1 0 329.444 2.624 20 10 EFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC001231848906 1312574523 /nfs/dbraw/zinc/57/45/23/1312574523.db2.gz KWNAKCVINHNNGF-UHFFFAOYSA-N 1 0 341.455 2.789 20 10 EFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(c2noc(C)n2)CC1 ZINC001231853791 1312574741 /nfs/dbraw/zinc/57/47/41/1312574741.db2.gz RJASHSKHUKXNRL-UHFFFAOYSA-N 1 0 330.432 2.832 20 10 EFCDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(N(C)C)cc1OC)C2 ZINC001231854689 1312574825 /nfs/dbraw/zinc/57/48/25/1312574825.db2.gz KQEPQZACVSXYQE-LXZKKBNFSA-N 1 0 332.444 2.535 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](Oc2nccnc2C)C1 ZINC001231854187 1312574955 /nfs/dbraw/zinc/57/49/55/1312574955.db2.gz ATJTVYGRDDXKNL-QGZVFWFLSA-N 1 0 342.443 2.513 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC001231853701 1312575399 /nfs/dbraw/zinc/57/53/99/1312575399.db2.gz ODNTTXBHCQZJOS-HNNXBMFYSA-N 1 0 334.460 2.925 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](Oc2nccc(C)n2)C1 ZINC001231857369 1312575602 /nfs/dbraw/zinc/57/56/02/1312575602.db2.gz HYKUXATXBPVSNT-KRWDZBQOSA-N 1 0 342.443 2.513 20 10 EFCDRO COc1ncnc2c1CC[N@H+](Cc1ccc3ccccc3c1O)CC2 ZINC001231880819 1312579586 /nfs/dbraw/zinc/57/95/86/1312579586.db2.gz QTVQACABOUPKRY-UHFFFAOYSA-N 1 0 335.407 2.945 20 10 EFCDRO CCCC[N@H+]1C[C@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]2C1 ZINC001049243210 1312619884 /nfs/dbraw/zinc/61/98/84/1312619884.db2.gz INZHYCJIAQPINM-GASCZTMLSA-N 1 0 343.431 2.653 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@H](OC)C2)cc1C ZINC001165426731 1312628136 /nfs/dbraw/zinc/62/81/36/1312628136.db2.gz ZKIDFNIRWBDVLP-MSOLQXFVSA-N 1 0 348.487 2.805 20 10 EFCDRO Clc1cc(C[N@@H+]2CCC[C@]3(CCO3)C2)ccc1N1CCOCC1 ZINC001232200049 1312646907 /nfs/dbraw/zinc/64/69/07/1312646907.db2.gz OAEWQQRMFLLMHP-SFHVURJKSA-N 1 0 336.863 2.932 20 10 EFCDRO CC[N@H+](CCn1cccn1)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232200036 1312646918 /nfs/dbraw/zinc/64/69/18/1312646918.db2.gz NTHMPQPXXLCAEL-UHFFFAOYSA-N 1 0 348.878 2.895 20 10 EFCDRO CC[N@H+](CCC(=O)OC)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232201348 1312648050 /nfs/dbraw/zinc/64/80/50/1312648050.db2.gz KOYLLZABUMXTGL-UHFFFAOYSA-N 1 0 340.851 2.562 20 10 EFCDRO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232203452 1312648898 /nfs/dbraw/zinc/64/88/98/1312648898.db2.gz WDTGVFLVQKHYST-LPHOPBHVSA-N 1 0 349.906 2.703 20 10 EFCDRO C[NH+](C)C[C@@H]1CCCN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232203510 1312648960 /nfs/dbraw/zinc/64/89/60/1312648960.db2.gz XBOZTHRUFWRAFG-INIZCTEOSA-N 1 0 337.895 2.703 20 10 EFCDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232258668 1312660268 /nfs/dbraw/zinc/66/02/68/1312660268.db2.gz CGASZIDAPJZINI-NWDGAFQWSA-N 1 0 346.814 2.532 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(C(C)(C)C(N)=O)CC2)cc1Cl ZINC001232269891 1312662484 /nfs/dbraw/zinc/66/24/84/1312662484.db2.gz MDIKMCIJIYCCBJ-UHFFFAOYSA-N 1 0 340.851 2.778 20 10 EFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2O)[C@@H]1C ZINC001232269540 1312662908 /nfs/dbraw/zinc/66/29/08/1312662908.db2.gz CZFQTAZJUWQCPN-ZYHUDNBSSA-N 1 0 327.808 2.828 20 10 EFCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232269511 1312663074 /nfs/dbraw/zinc/66/30/74/1312663074.db2.gz CMLBCWOOOLLSNB-MRXNPFEDSA-N 1 0 327.808 2.829 20 10 EFCDRO CCN(C(C)=O)C1CC[NH+](Cc2cc(Cl)c(OC)cc2O)CC1 ZINC001232270533 1312663739 /nfs/dbraw/zinc/66/37/39/1312663739.db2.gz DHTBPEHUPCRNMX-UHFFFAOYSA-N 1 0 340.851 2.887 20 10 EFCDRO C[C@@H](F)CC[NH2+][C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001211346205 1314480346 /nfs/dbraw/zinc/48/03/46/1314480346.db2.gz NMAPVJONZQIQNO-DOMZBBRYSA-N 1 0 349.410 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCO[C@@H]3C)C2)cc1C ZINC001020109617 1314614547 /nfs/dbraw/zinc/61/45/47/1314614547.db2.gz WBFGCMWRNOMUMH-VDHUWJSZSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(N2CCN([C@H]3CC[NH2+][C@H](C(C)(C)C)C3)CC2)cc1 ZINC001246521754 1314641495 /nfs/dbraw/zinc/64/14/95/1314641495.db2.gz QREIVDICJNHATB-HKUYNNGSSA-N 1 0 331.504 2.984 20 10 EFCDRO CC[C@H]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)O1 ZINC001020207491 1314668970 /nfs/dbraw/zinc/66/89/70/1314668970.db2.gz HOUKARLOIQBTDA-LSTDLKDCSA-N 1 0 346.471 2.698 20 10 EFCDRO CC[C@@H]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)O1 ZINC001020207492 1314668974 /nfs/dbraw/zinc/66/89/74/1314668974.db2.gz HOUKARLOIQBTDA-MTNOOBJLSA-N 1 0 346.471 2.698 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H](N)CCC[NH3+])n2)cc1 ZINC001247510091 1314795260 /nfs/dbraw/zinc/79/52/60/1314795260.db2.gz XXDWJSZJUACKME-MRXNPFEDSA-N 1 0 325.416 2.883 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@]34C[NH2+]C[C@H]3CCN4)n2)cc1 ZINC001247834731 1314849639 /nfs/dbraw/zinc/84/96/39/1314849639.db2.gz ILJKZIBABKBHKP-OXQOHEQNSA-N 1 0 349.438 2.552 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(C3(N)CC[NH2+]CC3)n2)cc1 ZINC001247966170 1314875881 /nfs/dbraw/zinc/87/58/81/1314875881.db2.gz TWLVVBQAXCHNOJ-UHFFFAOYSA-N 1 0 337.427 2.682 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2C)cc1I ZINC001248458393 1314936157 /nfs/dbraw/zinc/93/61/57/1314936157.db2.gz FYDIPGFGLDEOBH-VIFPVBQESA-N 1 0 347.196 2.990 20 10 EFCDRO COc1ccc(N2CC[NH+](Cc3ccc(-n4nccn4)cc3)CC2)cc1 ZINC001248768020 1314962184 /nfs/dbraw/zinc/96/21/84/1314962184.db2.gz HKDRBYCSECEIPO-UHFFFAOYSA-N 1 0 349.438 2.598 20 10 EFCDRO CC(C)(C)c1cc(O)c(C[N@H+]2CCc3nncn3CC2)cc1Cl ZINC001248881283 1314991671 /nfs/dbraw/zinc/99/16/71/1314991671.db2.gz VYMHIQQACVSZIW-UHFFFAOYSA-N 1 0 334.851 2.993 20 10 EFCDRO COC(=O)c1cccc(C[N@@H+]2CCc3cccc(O)c3C2)c1OC ZINC001248920269 1314998887 /nfs/dbraw/zinc/99/88/87/1314998887.db2.gz LHRFUJAGYIVAJB-UHFFFAOYSA-N 1 0 327.380 2.746 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCc3ccc(OC)cc3C2)c(O)c1 ZINC001249172429 1315029084 /nfs/dbraw/zinc/02/90/84/1315029084.db2.gz MMKPWZQVSFDNAP-UHFFFAOYSA-N 1 0 341.407 2.675 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCc3c(C)cccc3C2)c(O)c1 ZINC001249173712 1315029203 /nfs/dbraw/zinc/02/92/03/1315029203.db2.gz VLSBHHXLUBWGJW-UHFFFAOYSA-N 1 0 325.408 2.974 20 10 EFCDRO COC(=O)Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(O)c1 ZINC001249178067 1315029889 /nfs/dbraw/zinc/02/98/89/1315029889.db2.gz PDTLFVPXYAHPNX-OKILXGFUSA-N 1 0 325.355 2.585 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)c(O)c1 ZINC001249201156 1315033174 /nfs/dbraw/zinc/03/31/74/1315033174.db2.gz HVSDRFPMLBNOIH-KRWDZBQOSA-N 1 0 326.396 2.840 20 10 EFCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCO[C@@H]4C[C@@H](CO)C[C@H]43)ccc2O1 ZINC001249231020 1315035893 /nfs/dbraw/zinc/03/58/93/1315035893.db2.gz ZQXQJHPKNAFYQS-FDQGKXFDSA-N 1 0 345.439 2.548 20 10 EFCDRO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249244636 1315038277 /nfs/dbraw/zinc/03/82/77/1315038277.db2.gz KFDMKDOWBSKLOJ-HNNXBMFYSA-N 1 0 330.428 2.677 20 10 EFCDRO COc1ccc(OC)c(-c2noc(C[C@@H]([NH3+])c3ccccc3O)n2)c1 ZINC001249340056 1315055950 /nfs/dbraw/zinc/05/59/50/1315055950.db2.gz SQPFDKBQKSPOSS-CQSZACIVSA-N 1 0 341.367 2.702 20 10 EFCDRO [NH3+][C@H](Cc1nc(-c2cccnc2OC(F)F)no1)c1ccccc1O ZINC001249338391 1315056247 /nfs/dbraw/zinc/05/62/47/1315056247.db2.gz CKVDLTMJPNCPAI-LLVKDONJSA-N 1 0 348.309 2.681 20 10 EFCDRO Cc1c(O)cc2c(c1OC1CC[NH2+]CC1)C(=O)c1ccccc1C2=O ZINC001217963965 1315126087 /nfs/dbraw/zinc/12/60/87/1315126087.db2.gz WXULNSQEZDGGSN-UHFFFAOYSA-N 1 0 337.375 2.607 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3C[NH2+]CCC[C@H]3F)ccc21 ZINC001217981771 1315129148 /nfs/dbraw/zinc/12/91/48/1315129148.db2.gz PZMPGZFBIDANBU-QZTJIDSGSA-N 1 0 339.366 2.931 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3CCC[NH2+]CC3)ccc(O)c21 ZINC001217994641 1315130556 /nfs/dbraw/zinc/13/05/56/1315130556.db2.gz JHVGVRVOMRUFSY-LBPRGKRZSA-N 1 0 337.375 2.689 20 10 EFCDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001218043412 1315138032 /nfs/dbraw/zinc/13/80/32/1315138032.db2.gz HRGXUOLQASLSKR-BDJLRTHQSA-N 1 0 337.375 2.544 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3CC[C@]34CC[NH2+]C4)cccc21 ZINC001218121441 1315151737 /nfs/dbraw/zinc/15/17/37/1315151737.db2.gz ZIFNRMLKPKRZSR-LAUBAEHRSA-N 1 0 333.387 2.983 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3CC[C@]34CC[NH2+]C4)ccc(O)c21 ZINC001218119213 1315151799 /nfs/dbraw/zinc/15/17/99/1315151799.db2.gz RMRNCWQIWOKQRB-HRAATJIYSA-N 1 0 349.386 2.689 20 10 EFCDRO O=C1c2cccc(O[C@@H]3C[C@@H]4CC[NH2+][C@H]4C3)c2C(=O)c2cccc(O)c21 ZINC001218248484 1315171393 /nfs/dbraw/zinc/17/13/93/1315171393.db2.gz HDQPWTNRDSEJSI-ZOWXZIJZSA-N 1 0 349.386 2.687 20 10 EFCDRO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c(O)cc1Br ZINC001250120518 1315174644 /nfs/dbraw/zinc/17/46/44/1315174644.db2.gz GYXFYQZFIHXWRW-QWHCGFSZSA-N 1 0 332.213 2.758 20 10 EFCDRO Cc1cc(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)c(O)cc1Br ZINC001250128838 1315176424 /nfs/dbraw/zinc/17/64/24/1315176424.db2.gz MBHAACIHTSXXIE-SWLSCSKDSA-N 1 0 339.277 2.989 20 10 EFCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cc(C)c(Br)cc2O)C1 ZINC001250128234 1315176738 /nfs/dbraw/zinc/17/67/38/1315176738.db2.gz BFOGUYJNKRAOJC-NSHDSACASA-N 1 0 342.233 2.848 20 10 EFCDRO CC(C)[C@H](Oc1ccc(N2CC[NH2+]CC2)cc1)C(=O)OC(C)(C)C ZINC001218329492 1315179502 /nfs/dbraw/zinc/17/95/02/1315179502.db2.gz YAFWEDMVVRVMFR-KRWDZBQOSA-N 1 0 334.460 2.841 20 10 EFCDRO COC(=O)C[C@H]1CCC[C@H](Oc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218341347 1315182146 /nfs/dbraw/zinc/18/21/46/1315182146.db2.gz MMBQULGTUUNALC-YJBOKZPZSA-N 1 0 332.444 2.597 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3C[NH2+]CCC34CC4)ccc(O)c21 ZINC001218402526 1315190557 /nfs/dbraw/zinc/19/05/57/1315190557.db2.gz CUUVFCFBKOGUSY-INIZCTEOSA-N 1 0 349.386 2.689 20 10 EFCDRO O=C1c2cccc(O[C@@H]3CC[C@H]4C[NH2+]C[C@H]43)c2C(=O)c2cccc(O)c21 ZINC001218458421 1315199483 /nfs/dbraw/zinc/19/94/83/1315199483.db2.gz AWMOHIDQQYEQBZ-SGIREYDYSA-N 1 0 349.386 2.544 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CC[C@H]4C[NH2+]C[C@H]43)cccc21 ZINC001218472407 1315201624 /nfs/dbraw/zinc/20/16/24/1315201624.db2.gz LHXYBKUFDCKTEY-JCURWCKSSA-N 1 0 333.387 2.839 20 10 EFCDRO C[C@@H]1[NH2+]CCC[C@H]1C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001218581471 1315217992 /nfs/dbraw/zinc/21/79/92/1315217992.db2.gz KVRKTJWMLONKSC-ZDJUKZSVSA-N 1 0 338.415 2.993 20 10 EFCDRO CCC[N@@H+]1CCc2c(N)sc(NC(=O)Cc3ccc(N)cc3)c2C1 ZINC001218753746 1315238344 /nfs/dbraw/zinc/23/83/44/1315238344.db2.gz KBYSYRMLYLGKQM-UHFFFAOYSA-N 1 0 344.484 2.862 20 10 EFCDRO Cc1cc(C)c(C[NH2+]C[C@H](O)COc2ccc(F)cc2F)c(O)c1 ZINC001250885415 1315288457 /nfs/dbraw/zinc/28/84/57/1315288457.db2.gz KIIBWTCUAOCCQW-AWEZNQCLSA-N 1 0 337.366 2.817 20 10 EFCDRO Nc1ccc(CC(=O)Nc2c(F)cccc2N2CCC([NH3+])CC2)cc1 ZINC001219293462 1315297907 /nfs/dbraw/zinc/29/79/07/1315297907.db2.gz BCSQZSANCAVEBP-UHFFFAOYSA-N 1 0 342.418 2.517 20 10 EFCDRO Nc1ccc(NC(=O)Nc2ccc(NC(=O)[C@H]3CC[C@@H]3[NH3+])cc2)cc1 ZINC001219493139 1315317880 /nfs/dbraw/zinc/31/78/80/1315317880.db2.gz LVCRJEHRRIKSOE-HOTGVXAUSA-N 1 0 339.399 2.589 20 10 EFCDRO CC[C@@]1(C(=O)NCc2cc(Cl)c3cccnc3c2O)CCC[NH2+]C1 ZINC001220212878 1315385744 /nfs/dbraw/zinc/38/57/44/1315385744.db2.gz ZSIMPKRNTVKDHQ-GOSISDBHSA-N 1 0 347.846 2.990 20 10 EFCDRO CC1(C)C[NH2+][C@@](C)(C(=O)NCc2cc(Cl)c3cccnc3c2O)C1 ZINC001220212585 1315385990 /nfs/dbraw/zinc/38/59/90/1315385990.db2.gz PEEUNVFMBQGOOS-GOSISDBHSA-N 1 0 347.846 2.988 20 10 EFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c(C)c1 ZINC001251993210 1315400988 /nfs/dbraw/zinc/40/09/88/1315400988.db2.gz KWFIGKMOMWEYST-HXUWFJFHSA-N 1 0 326.440 2.859 20 10 EFCDRO CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(OCC(F)(F)F)cc1O ZINC001276814621 1315426293 /nfs/dbraw/zinc/42/62/93/1315426293.db2.gz IIUUVNFNNAJYIG-KBPBESRZSA-N 1 0 330.350 2.612 20 10 EFCDRO CC(C)c1ccc(C[NH+]2CC3(CN(CCn4ccnc4)C3)C2)c(O)c1 ZINC001276814662 1315429213 /nfs/dbraw/zinc/42/92/13/1315429213.db2.gz JTLIWTXFNRUYJH-UHFFFAOYSA-N 1 0 340.471 2.530 20 10 EFCDRO COCCOCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(C)C)cc1O ZINC001276814937 1315433222 /nfs/dbraw/zinc/43/32/22/1315433222.db2.gz MIVFVDCGMUNJCV-KDURUIRLSA-N 1 0 348.487 2.785 20 10 EFCDRO CC1CC(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001039061756 1315434507 /nfs/dbraw/zinc/43/45/07/1315434507.db2.gz UBUVXQUXKQJDCV-SEEARECTSA-N 1 0 343.431 2.699 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)c(O)c1 ZINC001276815413 1315440673 /nfs/dbraw/zinc/44/06/73/1315440673.db2.gz TWSJHKINAGBHCX-IRXDYDNUSA-N 1 0 347.459 2.558 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CCOCC1 ZINC001252383984 1315442848 /nfs/dbraw/zinc/44/28/48/1315442848.db2.gz QFCJAFJQFXNSAU-LJQANCHMSA-N 1 0 349.494 2.872 20 10 EFCDRO Cc1cc(C)c(CNC(=O)[C@H]2[NH2+]CCc3cc(F)ccc32)c(O)c1 ZINC001220825491 1315454110 /nfs/dbraw/zinc/45/41/10/1315454110.db2.gz JKLYGMGQEMJQKP-SFHVURJKSA-N 1 0 328.387 2.651 20 10 EFCDRO Cc1ccc(C[C@H]([NH3+])C(=O)NCc2c(C)cc(C)cc2O)c(C)c1 ZINC001220825845 1315454195 /nfs/dbraw/zinc/45/41/95/1315454195.db2.gz UTEJPYWAWXKEGN-SFHVURJKSA-N 1 0 326.440 2.812 20 10 EFCDRO COc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC001252721538 1315493443 /nfs/dbraw/zinc/49/34/43/1315493443.db2.gz UXLWWNZLAJTOHR-SFHVURJKSA-N 1 0 344.455 2.633 20 10 EFCDRO COc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC001252736530 1315497489 /nfs/dbraw/zinc/49/74/89/1315497489.db2.gz HEABQRCFBXPIEW-YJBOKZPZSA-N 1 0 344.455 2.852 20 10 EFCDRO COc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC001252740115 1315498261 /nfs/dbraw/zinc/49/82/61/1315498261.db2.gz FYVJNPXQSYDXJU-INIZCTEOSA-N 1 0 331.412 2.542 20 10 EFCDRO CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001054246116 1315517437 /nfs/dbraw/zinc/51/74/37/1315517437.db2.gz OBCRRGLQIODBCK-SFHVURJKSA-N 1 0 343.431 2.797 20 10 EFCDRO COc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001252895000 1315524990 /nfs/dbraw/zinc/52/49/90/1315524990.db2.gz UNMHWYITERULLD-SFHVURJKSA-N 1 0 344.455 2.633 20 10 EFCDRO O=C(NCCCSc1nccs1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001252902319 1315527315 /nfs/dbraw/zinc/52/73/15/1315527315.db2.gz QJRZICVZXXHZFR-CYBMUJFWSA-N 1 0 340.518 2.505 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3cccnc3)C[C@@H]2C)cc1C ZINC001054332420 1315538417 /nfs/dbraw/zinc/53/84/17/1315538417.db2.gz CAXBAIJJOJTKRH-YJBOKZPZSA-N 1 0 339.439 2.649 20 10 EFCDRO CCCC[C@@H](CC)COC[C@H](O)C[NH2+]Cc1ccc(O)c(O)c1 ZINC001253027410 1315556822 /nfs/dbraw/zinc/55/68/22/1315556822.db2.gz WZJGASHXSQDSIS-GDBMZVCRSA-N 1 0 325.449 2.781 20 10 EFCDRO CCCC[C@H](CC)COC[C@H](O)C[NH2+]Cc1ccc(O)c(O)c1 ZINC001253027412 1315557128 /nfs/dbraw/zinc/55/71/28/1315557128.db2.gz WZJGASHXSQDSIS-GOEBONIOSA-N 1 0 325.449 2.781 20 10 EFCDRO C[C@H]([NH2+]C[C@@](C)(O)C(=O)OCc1ccccc1)c1ccccc1O ZINC001253652847 1315624008 /nfs/dbraw/zinc/62/40/08/1315624008.db2.gz FWAJOGUAQGBBIC-IFXJQAMLSA-N 1 0 329.396 2.537 20 10 EFCDRO COc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC001253976502 1315659489 /nfs/dbraw/zinc/65/94/89/1315659489.db2.gz SESADFYDYAXDIC-YJBOKZPZSA-N 1 0 344.455 2.852 20 10 EFCDRO CC(C)Oc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccccc1O ZINC001254014548 1315665476 /nfs/dbraw/zinc/66/54/76/1315665476.db2.gz SZUZMCOSAZWUHT-INIZCTEOSA-N 1 0 331.412 2.709 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1)c1ccccc1O ZINC001254234845 1315685983 /nfs/dbraw/zinc/68/59/83/1315685983.db2.gz MKVYBABETQLMNI-OLZOCXBDSA-N 1 0 334.416 2.969 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CC2CCN(CC2)C1 ZINC001254842278 1315748444 /nfs/dbraw/zinc/74/84/44/1315748444.db2.gz FASVRUGKVFGNEV-AWEZNQCLSA-N 1 0 325.250 2.729 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254954666 1315764678 /nfs/dbraw/zinc/76/46/78/1315764678.db2.gz TWECFOHSISGYQE-IAGOWNOFSA-N 1 0 328.456 2.713 20 10 EFCDRO COc1ccc(N2CC[NH+](C3C[C@@H]4CC(=O)C[C@H]4C3)CC2)c(C)c1 ZINC001254963960 1315766251 /nfs/dbraw/zinc/76/62/51/1315766251.db2.gz MUBLZNXATLAAEK-HZPDHXFCSA-N 1 0 328.456 2.883 20 10 EFCDRO COc1ccc(N2CC[NH+](C3Cc4ccccc4C3)CC2)c(OC)c1 ZINC001255026316 1315773820 /nfs/dbraw/zinc/77/38/20/1315773820.db2.gz UITYAMTYDLJAJV-UHFFFAOYSA-N 1 0 338.451 2.993 20 10 EFCDRO CC[C@H]([NH2+]CCN1C(=O)COc2ccccc21)c1ccccc1O ZINC001255156267 1315784051 /nfs/dbraw/zinc/78/40/51/1315784051.db2.gz JERCNHKMXLSUSB-HNNXBMFYSA-N 1 0 326.396 2.859 20 10 EFCDRO CCOC(=O)C1CCC([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001255264367 1315798453 /nfs/dbraw/zinc/79/84/53/1315798453.db2.gz KSNXGJVFEOROOB-UHFFFAOYSA-N 1 0 333.428 2.968 20 10 EFCDRO CCOC(=O)[C@@H]1CCC[C@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001255375696 1315812234 /nfs/dbraw/zinc/81/22/34/1315812234.db2.gz BYQUCYXRNWHJER-ZBFHGGJFSA-N 1 0 333.428 2.968 20 10 EFCDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(N2CCCC2)cc1 ZINC001255473842 1315827947 /nfs/dbraw/zinc/82/79/47/1315827947.db2.gz KDBKFWDKFYYALS-KRWDZBQOSA-N 1 0 331.504 2.564 20 10 EFCDRO COC[C@H](C)[N@@H+]1CCC[C@@]2(C1)COCCN(c1ccc(OC)cc1)C2 ZINC001255570168 1315841390 /nfs/dbraw/zinc/84/13/90/1315841390.db2.gz HZJJBGSRKHYDFD-PXNSSMCTSA-N 1 0 348.487 2.649 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001255609881 1315846879 /nfs/dbraw/zinc/84/68/79/1315846879.db2.gz ZGLHWAMKGYCHTA-OAHLLOKOSA-N 1 0 348.443 2.855 20 10 EFCDRO CCOc1ccc(N2CC[NH+](C[C@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC001255732235 1315862957 /nfs/dbraw/zinc/86/29/57/1315862957.db2.gz HGDRZQDVFPXDFS-GOSISDBHSA-N 1 0 344.455 2.693 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CCC3CC3)CCO2)cc1C ZINC001051500265 1315869744 /nfs/dbraw/zinc/86/97/44/1315869744.db2.gz QELVDRSQNGFFNO-GOSISDBHSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)CC3(C)CC3)CCO2)cc1C ZINC001051716271 1315883195 /nfs/dbraw/zinc/88/31/95/1315883195.db2.gz HHRBWRMZSPRAAD-KRWDZBQOSA-N 1 0 346.471 2.511 20 10 EFCDRO CCOC(=O)CCC(CCC(=O)OCC)[NH2+]Cc1ccccc1O ZINC001255990578 1315889671 /nfs/dbraw/zinc/88/96/71/1315889671.db2.gz NTRWVGODQOFPJF-UHFFFAOYSA-N 1 0 337.416 2.537 20 10 EFCDRO CC(C)(C)OC(=O)N1CCC([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001256283322 1315925260 /nfs/dbraw/zinc/92/52/60/1315925260.db2.gz AEMJHVWSEUPSTB-UHFFFAOYSA-N 1 0 336.432 2.629 20 10 EFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C1CCS(=O)(=O)CC1 ZINC001256385168 1315934240 /nfs/dbraw/zinc/93/42/40/1315934240.db2.gz PMVDXSLUDOTXKY-QGZVFWFLSA-N 1 0 337.485 2.799 20 10 EFCDRO CCOc1ccc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001256631098 1315973320 /nfs/dbraw/zinc/97/33/20/1315973320.db2.gz OHRZKLWXWLPUCL-DFNIBXOVSA-N 1 0 329.488 2.833 20 10 EFCDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000827500389 1315991604 /nfs/dbraw/zinc/99/16/04/1315991604.db2.gz ABEDYMOIRCDZIO-GASCZTMLSA-N 1 0 347.415 2.626 20 10 EFCDRO Cc1cccc(S(=O)(=O)Nc2cccc(N3CC[NH+](C)CC3)c2)c1 ZINC001256923314 1316011859 /nfs/dbraw/zinc/01/18/59/1316011859.db2.gz DHAWVQKBSGOYJJ-UHFFFAOYSA-N 1 0 345.468 2.548 20 10 EFCDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000827777049 1316014767 /nfs/dbraw/zinc/01/47/67/1316014767.db2.gz LNDADHOACRHUBO-CYBMUJFWSA-N 1 0 346.500 2.776 20 10 EFCDRO CCOC(=O)[C@H]1CC[C@H]([NH+]2CCN(c3ccc(OC)cc3C)CC2)C1 ZINC001257067206 1316028966 /nfs/dbraw/zinc/02/89/66/1316028966.db2.gz DESHIQCWPVYCHF-IRXDYDNUSA-N 1 0 346.471 2.857 20 10 EFCDRO COCCOc1ccc(N2CC[NH+]([C@@H]3CCCSC3)CC2)cc1 ZINC001257684531 1316085657 /nfs/dbraw/zinc/08/56/57/1316085657.db2.gz UMJCSQNSEABOAK-QGZVFWFLSA-N 1 0 336.501 2.729 20 10 EFCDRO COC(=O)C1CCC([NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC001257860433 1316097669 /nfs/dbraw/zinc/09/76/69/1316097669.db2.gz UKDUEWFQPUMEOG-UHFFFAOYSA-N 1 0 332.444 2.549 20 10 EFCDRO COc1ccc(CC[C@H](C)[NH2+]CC(=O)c2ccc(O)c(O)c2)cc1 ZINC001258393660 1316148102 /nfs/dbraw/zinc/14/81/02/1316148102.db2.gz YTKHBRZSBXWWAB-ZDUSSCGKSA-N 1 0 329.396 2.900 20 10 EFCDRO CC1(C)COC2(CCC([NH2+]CC(=O)c3ccc(O)c(O)c3)CC2)OC1 ZINC001258520314 1316159065 /nfs/dbraw/zinc/15/90/65/1316159065.db2.gz QLGKJNUGVNPGQF-UHFFFAOYSA-N 1 0 349.427 2.582 20 10 EFCDRO CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001040545374 1316316485 /nfs/dbraw/zinc/31/64/85/1316316485.db2.gz OJOPYRSOKKOSHX-SFHVURJKSA-N 1 0 343.431 2.797 20 10 EFCDRO COc1cccc(C[NH2+]C2CN(C(=O)OCc3ccccc3)C2)c1O ZINC000397292506 1316397183 /nfs/dbraw/zinc/39/71/83/1316397183.db2.gz XWGGTQNFMPEWJP-UHFFFAOYSA-N 1 0 342.395 2.511 20 10 EFCDRO C[NH2+][C@H](C)CCNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC001261491977 1316415468 /nfs/dbraw/zinc/41/54/68/1316415468.db2.gz MQQLVOFJUFOVPU-CYBMUJFWSA-N 1 0 329.444 2.831 20 10 EFCDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC001261506924 1316416082 /nfs/dbraw/zinc/41/60/82/1316416082.db2.gz JMNNSFRUBGASLU-UONOGXRCSA-N 1 0 325.840 2.718 20 10 EFCDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC001261814134 1316432241 /nfs/dbraw/zinc/43/22/41/1316432241.db2.gz QTIZEMDOIHALHC-YGRLFVJLSA-N 1 0 325.250 2.727 20 10 EFCDRO COC(=O)CC(C)(C)[N@H+](C)Cc1c(O)cccc1Br ZINC001261828672 1316432788 /nfs/dbraw/zinc/43/27/88/1316432788.db2.gz QRNDXWYVUHIDSA-UHFFFAOYSA-N 1 0 330.222 2.928 20 10 EFCDRO CC(=O)OC[C@@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC001262360065 1316463463 /nfs/dbraw/zinc/46/34/63/1316463463.db2.gz UIFXYSYPYXXWDB-GFCCVEGCSA-N 1 0 342.386 2.798 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C)Cc3ccccc32)c(O)c1OC ZINC001262364528 1316463984 /nfs/dbraw/zinc/46/39/84/1316463984.db2.gz ZSXUGNIQMAOYCP-INIZCTEOSA-N 1 0 328.412 2.686 20 10 EFCDRO Cn1cc(C(=O)N2C[C@H](CC[NH3+])c3ccccc32)c(-c2cccnc2)n1 ZINC001263173790 1316520105 /nfs/dbraw/zinc/52/01/05/1316520105.db2.gz KCYLDJNEGYSGQW-HNNXBMFYSA-N 1 0 347.422 2.575 20 10 EFCDRO Cc1ccc(C[NH+]2CC3(CN(Cc4nc5ccccc5[nH]4)C3)C2)c(O)c1 ZINC001279339023 1317239647 /nfs/dbraw/zinc/23/96/47/1317239647.db2.gz UWTUZHNACUUCEC-UHFFFAOYSA-N 1 0 348.450 2.895 20 10 EFCDRO Oc1c(C[N@@H+]2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)ccc2ccccc21 ZINC001279437300 1317263503 /nfs/dbraw/zinc/26/35/03/1317263503.db2.gz JBIUTLRGRDWCFY-FXAWDEMLSA-N 1 0 348.450 2.975 20 10 EFCDRO CC(C)C(=O)N1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319695982 1328954206 /nfs/dbraw/zinc/95/42/06/1328954206.db2.gz PAEWZPNNOVIHLD-UHFFFAOYSA-N 1 0 329.488 2.977 20 10 EFCDRO [NH3+][C@H](CC(=O)NCCCSc1nccs1)Cc1ccccc1 ZINC000829527679 1321977003 /nfs/dbraw/zinc/97/70/03/1321977003.db2.gz CDQSTJXGMSFSCQ-AWEZNQCLSA-N 1 0 335.498 2.702 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2F)CC1 ZINC001319836686 1329008860 /nfs/dbraw/zinc/00/88/60/1329008860.db2.gz CMCXBOUVUCAOKR-QGZVFWFLSA-N 1 0 347.478 2.769 20 10 EFCDRO CN1CCN(c2ccc(C[N@@H+]3CC[C@H]4OCCC[C@H]4C3)cc2F)CC1 ZINC001319947779 1329042339 /nfs/dbraw/zinc/04/23/39/1329042339.db2.gz DMXSKKFSNYPLJZ-FXAWDEMLSA-N 1 0 347.478 2.578 20 10 EFCDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2c(O)cccc2Cl)cn1 ZINC001319971992 1329046818 /nfs/dbraw/zinc/04/68/18/1329046818.db2.gz CPPVXKCPKUDDTP-GUYCJALGSA-N 1 0 335.835 2.867 20 10 EFCDRO CN1CCC([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000743645482 1323059169 /nfs/dbraw/zinc/05/91/69/1323059169.db2.gz RXAWJDNEWMXQHL-UHFFFAOYSA-N 1 0 332.448 2.769 20 10 EFCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C(=O)NCC(F)(F)F ZINC001320130180 1329092781 /nfs/dbraw/zinc/09/27/81/1329092781.db2.gz JLPDVUPPZPHTFP-WEDXCCLWSA-N 1 0 334.313 2.736 20 10 EFCDRO CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC001320469522 1329139092 /nfs/dbraw/zinc/13/90/92/1329139092.db2.gz DKJLVBSKQGHKJW-ZDUSSCGKSA-N 1 0 327.808 2.972 20 10 EFCDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc(N3CCCC3)cc2)C1(C)C ZINC001320517533 1329151059 /nfs/dbraw/zinc/15/10/59/1329151059.db2.gz CUUGRAQGDNNQBB-ICSRJNTNSA-N 1 0 332.488 2.943 20 10 EFCDRO CC(C)C[C@@](C)(C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000900051344 1324676381 /nfs/dbraw/zinc/67/63/81/1324676381.db2.gz BNTIANDKYQBQEZ-FQEVSTJZSA-N 1 0 347.503 2.665 20 10 EFCDRO CC(C)CCC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000904036424 1324860884 /nfs/dbraw/zinc/86/08/84/1324860884.db2.gz MGZPAKBLQUDWGH-IBGZPJMESA-N 1 0 347.503 2.808 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)cc1 ZINC000904061630 1324863183 /nfs/dbraw/zinc/86/31/83/1324863183.db2.gz RCPOKLVIVFSCJA-UHFFFAOYSA-N 1 0 347.503 2.952 20 10 EFCDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC001320836011 1329308072 /nfs/dbraw/zinc/30/80/72/1329308072.db2.gz FOFXTIUTPDXVQY-RYUDHWBXSA-N 1 0 328.206 2.586 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]CCN2C(=O)COc3ccccc32)c(O)c1 ZINC001321028528 1329333033 /nfs/dbraw/zinc/33/30/33/1329333033.db2.gz UVCOBQKQPKBTTD-AWEZNQCLSA-N 1 0 326.396 2.777 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]CCN2C(=O)COc3ccccc32)c(O)c1 ZINC001321028529 1329333055 /nfs/dbraw/zinc/33/30/55/1329333055.db2.gz UVCOBQKQPKBTTD-CQSZACIVSA-N 1 0 326.396 2.777 20 10 EFCDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001322338439 1329448995 /nfs/dbraw/zinc/44/89/95/1329448995.db2.gz KHYPVVCSJTZLMQ-FUHWJXTLSA-N 1 0 349.494 2.703 20 10 EFCDRO CN1CCN(c2ccc(C[NH+]3CCC(CCCO)CC3)cc2F)CC1 ZINC001323700118 1329562737 /nfs/dbraw/zinc/56/27/37/1329562737.db2.gz ASFQULQRMTUPNU-UHFFFAOYSA-N 1 0 349.494 2.562 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ccc([S@](C)=O)cc3)cc2)CC1 ZINC001325276824 1329677901 /nfs/dbraw/zinc/67/79/01/1329677901.db2.gz BJYWZGIGPZLDGM-DEOSSOPVSA-N 1 0 343.496 2.788 20 10 EFCDRO CN(C)c1ncccc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC001325646963 1329703790 /nfs/dbraw/zinc/70/37/90/1329703790.db2.gz MITAYUSRTUYFQH-UHFFFAOYSA-N 1 0 328.460 2.724 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CCOC(C)(C)C3)cc2F)CC1 ZINC001325696434 1329707076 /nfs/dbraw/zinc/70/70/76/1329707076.db2.gz RZZODAVJMWNHCE-QGZVFWFLSA-N 1 0 349.494 2.872 20 10 EFCDRO C[NH2+][C@@H](C)CCN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC001325745377 1329709820 /nfs/dbraw/zinc/70/98/20/1329709820.db2.gz XSIHXGLYAJGBRP-UONOGXRCSA-N 1 0 325.884 2.825 20 10 EFCDRO COCn1ncc(C)c1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC001326023151 1329730469 /nfs/dbraw/zinc/73/04/69/1329730469.db2.gz VXMUSXXLMREZLK-UHFFFAOYSA-N 1 0 346.500 2.638 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001326036935 1329731068 /nfs/dbraw/zinc/73/10/68/1329731068.db2.gz YTFYLVCTVSKBKI-INIZCTEOSA-N 1 0 329.488 2.737 20 10 EFCDRO Cc1cc(N)cc(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001326075170 1329732322 /nfs/dbraw/zinc/73/23/22/1329732322.db2.gz HUQYRRBYZDXDEU-UHFFFAOYSA-N 1 0 342.462 2.758 20 10 EFCDRO C[NH2+][C@@H](C)CCNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001326132075 1329734046 /nfs/dbraw/zinc/73/40/46/1329734046.db2.gz GJIVNOZPCHVCSS-AWEZNQCLSA-N 1 0 331.416 2.695 20 10 EFCDRO C[C@H]1CCSCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326279279 1329743729 /nfs/dbraw/zinc/74/37/29/1329743729.db2.gz GKFVBCDXNYEMPE-HNNXBMFYSA-N 1 0 337.508 2.905 20 10 EFCDRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(N)cc3)cc2)CC1 ZINC001326281851 1329743777 /nfs/dbraw/zinc/74/37/77/1329743777.db2.gz ZLHFSPDRFVEZBE-UHFFFAOYSA-N 1 0 338.455 2.592 20 10 EFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCCCC[NH3+])cc1 ZINC001326595817 1330324693 /nfs/dbraw/zinc/32/46/93/1330324693.db2.gz LMMCXGWHBIKWPY-IBGZPJMESA-N 1 0 347.503 2.779 20 10 EFCDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(N2CCCC2)cc1 ZINC001326645212 1330334517 /nfs/dbraw/zinc/33/45/17/1330334517.db2.gz ZFEXOWJBQVRJOZ-GOSISDBHSA-N 1 0 343.515 2.972 20 10 EFCDRO Cc1cc(NC(=O)C2=CC(=O)CS2)ccc1N1CC[NH+](C)CC1 ZINC001327616159 1330500795 /nfs/dbraw/zinc/50/07/95/1330500795.db2.gz KCOJSOFMKRNFGM-UHFFFAOYSA-N 1 0 331.441 2.766 20 10 EFCDRO CN1CCN(c2ccc(C[N@@H+]3CCSC[C@@H]3C3CC3)cc2F)CC1 ZINC001327953828 1330534116 /nfs/dbraw/zinc/53/41/16/1330534116.db2.gz ZMROLYXLENPVCT-LJQANCHMSA-N 1 0 349.519 2.905 20 10 EFCDRO CO[C@](C)([C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1 ZINC001328659919 1330613010 /nfs/dbraw/zinc/61/30/10/1330613010.db2.gz QEECXJGJEYLMBT-FOIQADDNSA-N 1 0 349.494 2.871 20 10 EFCDRO CO[C@@](C)([C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1 ZINC001328659922 1330613027 /nfs/dbraw/zinc/61/30/27/1330613027.db2.gz QEECXJGJEYLMBT-YWZLYKJASA-N 1 0 349.494 2.871 20 10 EFCDRO CN(C)[C@]1(C[NH2+]Cc2c(O)cccc2Br)CCSC1 ZINC001329710457 1330729801 /nfs/dbraw/zinc/72/98/01/1330729801.db2.gz LEIDDYYXMJOPGM-AWEZNQCLSA-N 1 0 345.306 2.682 20 10 EFCDRO [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC001331550987 1330851706 /nfs/dbraw/zinc/85/17/06/1330851706.db2.gz YIQDPBZOLCCPPT-AWEZNQCLSA-N 1 0 330.197 2.641 20 10 EFCDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1c(O)cccc1Br ZINC001331693437 1330867346 /nfs/dbraw/zinc/86/73/46/1330867346.db2.gz NQDGPGBNXYBYHW-CQSZACIVSA-N 1 0 330.222 2.976 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[NH2+]CCC12CCC2 ZINC001331857837 1330881398 /nfs/dbraw/zinc/88/13/98/1330881398.db2.gz NNIBDMHVGGYOGP-UHFFFAOYSA-N 1 0 342.487 2.714 20 10 EFCDRO O=C(NCCCSc1nccs1)c1ccc2c(c1)C[NH2+]CC2 ZINC001332125708 1330924674 /nfs/dbraw/zinc/92/46/74/1330924674.db2.gz TWUKYJFQFMSVMC-UHFFFAOYSA-N 1 0 333.482 2.701 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)c2cnn(C)c2C)cc1Cn1cccn1 ZINC001333321028 1331116077 /nfs/dbraw/zinc/11/60/77/1331116077.db2.gz GAPYOBWOUINHFB-AWEZNQCLSA-N 1 0 339.443 2.833 20 10 EFCDRO CCOc1ccc(N2CC[NH+](CCCC(=O)NCC(C)C)CC2)cc1 ZINC001333588236 1331175213 /nfs/dbraw/zinc/17/52/13/1331175213.db2.gz UNKHIGQBBFQNRL-UHFFFAOYSA-N 1 0 347.503 2.760 20 10 EFCDRO CN(C)c1cc(NCc2ccc(N3CCSCC3)cc2)ncn1 ZINC001333630779 1331184124 /nfs/dbraw/zinc/18/41/24/1331184124.db2.gz VHRHZLGRHNNOMO-UHFFFAOYSA-N 1 0 329.473 2.708 20 10 EFCDRO CN(C)c1ccc(CN2CCC([NH2+]C3CCOCC3)CC2)cc1F ZINC001333733033 1331204069 /nfs/dbraw/zinc/20/40/69/1331204069.db2.gz ADZUZNOWEKZCOX-UHFFFAOYSA-N 1 0 335.467 2.625 20 10 EFCDRO C[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H]1CC[NH3+] ZINC001335497913 1331360663 /nfs/dbraw/zinc/36/06/63/1331360663.db2.gz MHBBRIMTVCTLNT-APWZRJJASA-N 1 0 342.487 2.722 20 10 EFCDRO Nc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC001336117660 1331437074 /nfs/dbraw/zinc/43/70/74/1331437074.db2.gz PXCZOZQVRDXPDT-UHFFFAOYSA-N 1 0 337.467 2.936 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)N3CC[C@H](CC[NH3+])C3)cc2)CC1 ZINC001336811735 1331504766 /nfs/dbraw/zinc/50/47/66/1331504766.db2.gz SIRCMWLUXHNVHV-SFHVURJKSA-N 1 0 344.503 2.803 20 10 EFCDRO CN(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001338886811 1331753109 /nfs/dbraw/zinc/75/31/09/1331753109.db2.gz IFPWJNFUOUPAIA-MJGOQNOKSA-N 1 0 335.467 2.625 20 10 EFCDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cc(C)c1O ZINC001338953640 1331761618 /nfs/dbraw/zinc/76/16/18/1331761618.db2.gz SOGYZVAZWJQHSB-CHWSQXEVSA-N 1 0 342.233 2.894 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2nccs2)[NH+](C)C)cc1 ZINC001339018616 1331770908 /nfs/dbraw/zinc/77/09/08/1331770908.db2.gz OGBVCSVCFYUJGB-ZBTGYSDGSA-N 1 0 344.484 2.641 20 10 EFCDRO Cn1c(C2SC=CC2=O)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001339453126 1331870364 /nfs/dbraw/zinc/87/03/64/1331870364.db2.gz CWZVYAYRRSXYOS-CYBMUJFWSA-N 1 0 347.488 2.561 20 10 EFCDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C3SC=CC3=O)n2CC)C1 ZINC001340027118 1332129921 /nfs/dbraw/zinc/12/99/21/1332129921.db2.gz XCNMYXHHZHVJJZ-ZDUSSCGKSA-N 1 0 349.504 2.900 20 10 EFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CC(C)(C)C[NH3+])cc1 ZINC001340185273 1332150541 /nfs/dbraw/zinc/15/05/41/1332150541.db2.gz SXNXGNAVVXFGDI-SFHVURJKSA-N 1 0 347.503 2.635 20 10 EFCDRO Cn1c(C2SC=CC2=O)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001341279707 1332248034 /nfs/dbraw/zinc/24/80/34/1332248034.db2.gz HODHHFWFFBTKCA-UHFFFAOYSA-N 1 0 347.488 2.704 20 10 EFCDRO Cn1cc(-c2ncccc2C(=O)N2C[C@H](CC[NH3+])c3ccccc32)cn1 ZINC001341523724 1332265557 /nfs/dbraw/zinc/26/55/57/1332265557.db2.gz AIUDVRLLNORLDA-AWEZNQCLSA-N 1 0 347.422 2.575 20 10 EFCDRO CCCC[N@H+](CCOC)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001341568543 1332268433 /nfs/dbraw/zinc/26/84/33/1332268433.db2.gz ZFEPOFVEMIWWCC-UHFFFAOYSA-N 1 0 337.483 2.826 20 10 EFCDRO COc1ccc(C[NH2+]CCc2ccc3c(c2)CCO3)c(O)c1OC ZINC001342946098 1332336970 /nfs/dbraw/zinc/33/69/70/1332336970.db2.gz CUUQKWONZRKSFN-UHFFFAOYSA-N 1 0 329.396 2.677 20 10 EFCDRO C[C@@H](CCCCC(=O)[O-])[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001343648120 1332365921 /nfs/dbraw/zinc/36/59/21/1332365921.db2.gz LQLILXJAKAIZJR-INIZCTEOSA-N 1 0 333.476 2.562 20 10 EFCDRO CC[NH+](CC)CC[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001345478317 1332542441 /nfs/dbraw/zinc/54/24/41/1332542441.db2.gz HUKFGKRHFWCXMF-QGZVFWFLSA-N 1 0 344.503 2.982 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001349332710 1332939380 /nfs/dbraw/zinc/93/93/80/1332939380.db2.gz ZTFWMKWQCZXMLE-SFHVURJKSA-N 1 0 332.492 2.768 20 10 EFCDRO O=C(NCc1cccc(O)c1O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001350299451 1333060729 /nfs/dbraw/zinc/06/07/29/1333060729.db2.gz AIUCRKOEZRPYIP-KRWDZBQOSA-N 1 0 340.423 2.626 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c(O)c1OC ZINC001351987152 1333343895 /nfs/dbraw/zinc/34/38/95/1333343895.db2.gz LPEKGUGECNUSAK-NSHDSACASA-N 1 0 325.405 2.619 20 10 EFCDRO C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)n1cccc1 ZINC001352167231 1333411505 /nfs/dbraw/zinc/41/15/05/1333411505.db2.gz IZWZUQAXJKTUBA-MAUKXSAKSA-N 1 0 328.460 2.534 20 10 EFCDRO CCn1c(C2SC=CC2=O)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001352322190 1333468322 /nfs/dbraw/zinc/46/83/22/1333468322.db2.gz RGRNPSZGRUVSQQ-UHFFFAOYSA-N 1 0 347.488 2.797 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000847276599 1333471306 /nfs/dbraw/zinc/47/13/06/1333471306.db2.gz LQCRAGZSZSBOGU-QZTJIDSGSA-N 1 0 330.476 2.569 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000847443895 1333725865 /nfs/dbraw/zinc/72/58/65/1333725865.db2.gz FYZCXCDBTADPHC-IAOVAPTHSA-N 1 0 347.459 2.778 20 10 EFCDRO CC[C@@H](C)OCC(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001100251487 1334000002 /nfs/dbraw/zinc/00/00/02/1334000002.db2.gz SWSBGUZXSIOJJK-FAEJEUNOSA-N 1 0 348.487 2.803 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1F ZINC000848414150 1334712791 /nfs/dbraw/zinc/71/27/91/1334712791.db2.gz LVICTQDXBNTYFO-KXBFYZLASA-N 1 0 333.451 2.678 20 10 EFCDRO COc1ccc(OC)c(CC[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC001355242449 1334723430 /nfs/dbraw/zinc/72/34/30/1334723430.db2.gz AXZUGHHGZKCAAK-UHFFFAOYSA-N 1 0 347.411 2.759 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](O)c2ccc(F)cc2)c(O)c1OC ZINC001355255004 1334725653 /nfs/dbraw/zinc/72/56/53/1334725653.db2.gz RLRPOBMDFQDFHV-BDJLRTHQSA-N 1 0 335.375 2.760 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)c(O)c1OC ZINC001355255005 1334725685 /nfs/dbraw/zinc/72/56/85/1334725685.db2.gz RLRPOBMDFQDFHV-BZNIZROVSA-N 1 0 335.375 2.760 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCn4ccnc43)CC2)cc1 ZINC000848525713 1334774492 /nfs/dbraw/zinc/77/44/92/1334774492.db2.gz RABYLILKBRNUCZ-GOSISDBHSA-N 1 0 326.444 2.985 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000848552945 1334790864 /nfs/dbraw/zinc/79/08/64/1334790864.db2.gz GRABUTANGHNDJL-DYESRHJHSA-N 1 0 345.531 2.835 20 10 EFCDRO CCOc1cccc(C[NH2+][C@H]2CCc3ccccc3NC2=O)c1O ZINC000848561069 1334795528 /nfs/dbraw/zinc/79/55/28/1334795528.db2.gz PJEJUNKSRPBMJC-INIZCTEOSA-N 1 0 326.396 2.834 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCc3ccccc3NC2=O)c1 ZINC000848561448 1334795607 /nfs/dbraw/zinc/79/56/07/1334795607.db2.gz WXVXIKMGEMMWLR-KRWDZBQOSA-N 1 0 326.396 2.834 20 10 EFCDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1cc(-c3ccccc3)ccc1O)C2 ZINC000848566462 1334797459 /nfs/dbraw/zinc/79/74/59/1334797459.db2.gz YLQGKECYQGMKOD-KRWDZBQOSA-N 1 0 334.423 2.835 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccccc2CC(=O)OC)c1 ZINC000848579074 1334806000 /nfs/dbraw/zinc/80/60/00/1334806000.db2.gz SYMYDBPRVXKSNP-UHFFFAOYSA-N 1 0 329.396 2.796 20 10 EFCDRO Cc1ccc(C(=O)N2CCN(Cc3ccc(N)cc3)CC2)cc1F ZINC001356083626 1334950640 /nfs/dbraw/zinc/95/06/40/1334950640.db2.gz WBNTXYMDFQEPSF-UHFFFAOYSA-N 1 0 327.403 2.674 20 10 EFCDRO CCCC[N@H+](Cc1cccc(CC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000848880261 1334957388 /nfs/dbraw/zinc/95/73/88/1334957388.db2.gz MROOEOSITBACAW-MRXNPFEDSA-N 1 0 325.474 2.744 20 10 EFCDRO CCc1cccc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c1O ZINC000848881009 1334958435 /nfs/dbraw/zinc/95/84/35/1334958435.db2.gz DNRNQVJPEXHLTK-UHFFFAOYSA-N 1 0 344.377 2.845 20 10 EFCDRO CCc1cccc(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)c1O ZINC000848886483 1334962079 /nfs/dbraw/zinc/96/20/79/1334962079.db2.gz GHADYALYTRQGJC-UHFFFAOYSA-N 1 0 338.451 2.974 20 10 EFCDRO CCc1cccc(C[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)c1O ZINC000848887376 1334963012 /nfs/dbraw/zinc/96/30/12/1334963012.db2.gz UUOKWTAKJIAIKD-CYBMUJFWSA-N 1 0 330.350 2.550 20 10 EFCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c1O ZINC000848890197 1334964916 /nfs/dbraw/zinc/96/49/16/1334964916.db2.gz PXIOBNNKHVABLI-SJLPKXTDSA-N 1 0 329.444 2.634 20 10 EFCDRO CCc1cccc(C[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c1O ZINC000848895704 1334967719 /nfs/dbraw/zinc/96/77/19/1334967719.db2.gz WKKCFICIPPQNSE-UHFFFAOYSA-N 1 0 342.439 2.711 20 10 EFCDRO CCc1cccc(C[NH2+]Cc2ccc(N(C)S(C)(=O)=O)cc2)c1O ZINC000848896108 1334968941 /nfs/dbraw/zinc/96/89/41/1334968941.db2.gz RZTVMPTVKRQVPT-UHFFFAOYSA-N 1 0 348.468 2.640 20 10 EFCDRO CCc1cccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)c1O ZINC000848896137 1334969162 /nfs/dbraw/zinc/96/91/62/1334969162.db2.gz SSQGPVNWUWRUPJ-MRXNPFEDSA-N 1 0 328.387 2.989 20 10 EFCDRO CCc1cccc(C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c1O ZINC000848899809 1334971047 /nfs/dbraw/zinc/97/10/47/1334971047.db2.gz TZCTZCDQIVACPX-CYBMUJFWSA-N 1 0 342.403 2.610 20 10 EFCDRO CCc1cccc(C[NH2+][C@@](C)(CC(=O)OC)c2ccncc2)c1O ZINC000848903811 1334974656 /nfs/dbraw/zinc/97/46/56/1334974656.db2.gz DWCGGSOMGQFDOK-IBGZPJMESA-N 1 0 328.412 2.918 20 10 EFCDRO CCc1cccc(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c1O ZINC000848909940 1334980136 /nfs/dbraw/zinc/98/01/36/1334980136.db2.gz DTNFBEGHKRKLJJ-KRWDZBQOSA-N 1 0 331.460 2.724 20 10 EFCDRO CCc1cccc(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c1O ZINC000848914521 1334983024 /nfs/dbraw/zinc/98/30/24/1334983024.db2.gz PDMLYXPUSOUEFC-IBGZPJMESA-N 1 0 338.451 2.888 20 10 EFCDRO CCc1cccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1O ZINC000848914295 1334983388 /nfs/dbraw/zinc/98/33/88/1334983388.db2.gz KZLMMPYJERNKMN-UHFFFAOYSA-N 1 0 325.474 2.648 20 10 EFCDRO CCc1cccc(C[NH2+]CC(=O)Nc2cc(OC)cc(OC)c2)c1O ZINC000848918155 1334985878 /nfs/dbraw/zinc/98/58/78/1334985878.db2.gz QRLPIGFWYYNDHX-UHFFFAOYSA-N 1 0 344.411 2.700 20 10 EFCDRO COc1cccc(C[NH+]2CCC(Oc3ncc(C)cn3)CC2)c1O ZINC000848924854 1334989991 /nfs/dbraw/zinc/98/99/91/1334989991.db2.gz DQWNLVSGPMDTKL-UHFFFAOYSA-N 1 0 329.400 2.543 20 10 EFCDRO Nc1ccc(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001356571313 1335054750 /nfs/dbraw/zinc/05/47/50/1335054750.db2.gz QSBJMMWJVOKAJG-IBGZPJMESA-N 1 0 338.455 2.733 20 10 EFCDRO C[C@@H]1CN(c2ccc(CNC(=[NH2+])NC(C)(C)C)cc2F)C[C@H](C)O1 ZINC000849069183 1335068574 /nfs/dbraw/zinc/06/85/74/1335068574.db2.gz URTXADDJHQXAHG-BETUJISGSA-N 1 0 336.455 2.852 20 10 EFCDRO C[C@H]1CN(c2ccc(CNC(=[NH2+])NC(C)(C)C)cc2F)C[C@H](C)O1 ZINC000849069185 1335068584 /nfs/dbraw/zinc/06/85/84/1335068584.db2.gz URTXADDJHQXAHG-STQMWFEESA-N 1 0 336.455 2.852 20 10 EFCDRO C[C@@H]1CN(c2ccc(CNC(=[NH2+])NC3CCC3)cc2F)C[C@H](C)O1 ZINC000849111498 1335553927 /nfs/dbraw/zinc/55/39/27/1335553927.db2.gz QHAIKDXERNJLDK-BETUJISGSA-N 1 0 334.439 2.606 20 10 EFCDRO COc1cccc(C[NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)c1O ZINC000849350181 1335596593 /nfs/dbraw/zinc/59/65/93/1335596593.db2.gz TZQQAYPPXROUKN-IAGOWNOFSA-N 1 0 330.403 2.775 20 10 EFCDRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160177731 712909856 /nfs/dbraw/zinc/90/98/56/712909856.db2.gz NWYNHQXPIJGYGG-SFHVURJKSA-N 1 0 328.456 2.858 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](CN3CCOCC3)C1)CCCC2 ZINC000160184756 712913939 /nfs/dbraw/zinc/91/39/39/712913939.db2.gz SVNXWCPECDEDNJ-QGZVFWFLSA-N 1 0 344.499 2.815 20 10 EFCDRO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cccc(OC)c1O ZINC000160234828 712990281 /nfs/dbraw/zinc/99/02/81/712990281.db2.gz UNNIUHFPBZALQK-UHFFFAOYSA-N 1 0 346.402 2.678 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccn(C)c3C)C2)cc1C ZINC000969862795 713289620 /nfs/dbraw/zinc/28/96/20/713289620.db2.gz SRZAGWNFVLJQBO-QGZVFWFLSA-N 1 0 341.455 2.655 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3occc3C)C2)cc1C ZINC000969884972 713297072 /nfs/dbraw/zinc/29/70/72/713297072.db2.gz SJEGCDUTEGMEOX-QGZVFWFLSA-N 1 0 342.439 2.838 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc(C)[nH]c3C)C2)cc1C ZINC001020641126 713310545 /nfs/dbraw/zinc/31/05/45/713310545.db2.gz UAVHHQOLTPLUBJ-QAQDUYKDSA-N 1 0 341.455 2.999 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C)C(C)(F)F)C2)cc1C ZINC000969989655 713336217 /nfs/dbraw/zinc/33/62/17/713336217.db2.gz OYRFKHKAMQWZKS-UKRRQHHQSA-N 1 0 340.414 2.985 20 10 EFCDRO COc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)o1 ZINC001020807588 713402727 /nfs/dbraw/zinc/40/27/27/713402727.db2.gz PUBUWCTXQRIXNT-SHTZXODSSA-N 1 0 344.411 2.656 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ncccc3F)C2)cc1C ZINC001020813620 713406155 /nfs/dbraw/zinc/40/61/55/713406155.db2.gz GBJOVVQFKLHIIR-SHTZXODSSA-N 1 0 343.402 2.588 20 10 EFCDRO C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000806169474 713413935 /nfs/dbraw/zinc/41/39/35/713413935.db2.gz GGCSUHMMHVEMJF-KBPBESRZSA-N 1 0 325.884 2.777 20 10 EFCDRO CSCC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)C(=O)N(C)C ZINC000806663011 713470327 /nfs/dbraw/zinc/47/03/27/713470327.db2.gz RKJKBTUFTSITCG-WCFLWFBJSA-N 1 0 340.464 2.879 20 10 EFCDRO CCc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)no1 ZINC000970514649 713770042 /nfs/dbraw/zinc/77/00/42/713770042.db2.gz HHTQYSNUASDCRN-OAHLLOKOSA-N 1 0 343.427 2.558 20 10 EFCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000177218420 717946852 /nfs/dbraw/zinc/94/68/52/717946852.db2.gz KCLCVAALLZZTTI-IBGZPJMESA-N 1 0 329.396 2.939 20 10 EFCDRO CC(C)c1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)no1 ZINC000891246399 714133520 /nfs/dbraw/zinc/13/35/20/714133520.db2.gz CBIHQGFZBRHDDP-QGZVFWFLSA-N 1 0 344.459 2.897 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C=O)s2)[NH+](C)C)cc1 ZINC000891246426 714133591 /nfs/dbraw/zinc/13/35/91/714133591.db2.gz NSDXGNOUWKRASI-MRXNPFEDSA-N 1 0 345.468 2.659 20 10 EFCDRO CO[C@@H]1CCC[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891247100 714134712 /nfs/dbraw/zinc/13/47/12/714134712.db2.gz HJYJGOBXDCJRLK-UHOSZYNNSA-N 1 0 347.503 2.677 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)C(C)(Cl)Cl)[NH+](C)C)cc1 ZINC000891248342 714136079 /nfs/dbraw/zinc/13/60/79/714136079.db2.gz KWEDNKSRSDKKFA-ZDUSSCGKSA-N 1 0 332.275 2.665 20 10 EFCDRO COCC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCCC1 ZINC000891249831 714139193 /nfs/dbraw/zinc/13/91/93/714139193.db2.gz TXIRCVYMZYZQTO-GOSISDBHSA-N 1 0 347.503 2.678 20 10 EFCDRO CCC1=C(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCCO1 ZINC000891248712 714139611 /nfs/dbraw/zinc/13/96/11/714139611.db2.gz NDXCVUHBNAIVKP-SFHVURJKSA-N 1 0 345.487 2.946 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc(O)cc2F)[NH+](C)C)cc1 ZINC000891249094 714140188 /nfs/dbraw/zinc/14/01/88/714140188.db2.gz PNZKXTWAOOAVEN-SFHVURJKSA-N 1 0 345.418 2.630 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2occ3c2CCC3)[NH+](C)C)cc1 ZINC000891250265 714141973 /nfs/dbraw/zinc/14/19/73/714141973.db2.gz WEFCYSYZRCTDDM-SFHVURJKSA-N 1 0 341.455 2.867 20 10 EFCDRO COc1csc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891251968 714142816 /nfs/dbraw/zinc/14/28/16/714142816.db2.gz ISOGFUUQOSJKQM-MRXNPFEDSA-N 1 0 347.484 2.855 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)CCc2ccco2)[NH+](C)C)cc1 ZINC000891251675 714145634 /nfs/dbraw/zinc/14/56/34/714145634.db2.gz DTILAJWVIJORIL-GOSISDBHSA-N 1 0 329.444 2.697 20 10 EFCDRO Cc1cc(C)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000891252815 714146259 /nfs/dbraw/zinc/14/62/59/714146259.db2.gz NYIRYTIMXXDNHM-KRWDZBQOSA-N 1 0 329.444 2.995 20 10 EFCDRO CC1=C(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCCO1 ZINC000891252870 714146440 /nfs/dbraw/zinc/14/64/40/714146440.db2.gz OGQUSGMTMGJWQV-SFHVURJKSA-N 1 0 331.460 2.556 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)CC[C@@H]2CCCCO2)[NH+](C)C)cc1 ZINC000891252319 714146873 /nfs/dbraw/zinc/14/68/73/714146873.db2.gz JKPZDOXJWVCOLI-OALUTQOASA-N 1 0 347.503 2.821 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc3occc3[nH]2)[NH+](C)C)cc1 ZINC000891253407 714147419 /nfs/dbraw/zinc/14/74/19/714147419.db2.gz SHMMRRVMEVIDOV-KRWDZBQOSA-N 1 0 340.427 2.860 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)CCC(F)(F)F)[NH+](C)C)cc1 ZINC000891253848 714148052 /nfs/dbraw/zinc/14/80/52/714148052.db2.gz UUXJCGQCILEUNI-CQSZACIVSA-N 1 0 331.382 2.814 20 10 EFCDRO CCCCO[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254716 714148335 /nfs/dbraw/zinc/14/83/35/714148335.db2.gz IQIJAQPXHUXNRY-CRAIPNDOSA-N 1 0 335.492 2.677 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C/c2cccnc2)[NH+](C)C)cc1 ZINC000891255922 714150243 /nfs/dbraw/zinc/15/02/43/714150243.db2.gz SRCJLATVESBJFE-UBIUBJKMSA-N 1 0 338.455 2.580 20 10 EFCDRO CC(C)c1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)[nH]n1 ZINC000891256533 714150969 /nfs/dbraw/zinc/15/09/69/714150969.db2.gz ZDRDDZOTKZTMHR-SFHVURJKSA-N 1 0 343.475 2.632 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2cccc(F)c2)[NH+](C)C)cc1 ZINC000891257758 714152367 /nfs/dbraw/zinc/15/23/67/714152367.db2.gz JXWODRJOONMDSZ-LJQANCHMSA-N 1 0 343.446 2.853 20 10 EFCDRO CC[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970954228 714177112 /nfs/dbraw/zinc/17/71/12/714177112.db2.gz LWXHJIMHEFSFDR-CHWSQXEVSA-N 1 0 345.447 2.945 20 10 EFCDRO C[C@@H](F)CC[NH+]1CC([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970954251 714177315 /nfs/dbraw/zinc/17/73/15/714177315.db2.gz MGEVUBTYPWZEFA-VXGBXAGGSA-N 1 0 349.410 2.647 20 10 EFCDRO CCCC[NH+]1CC([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970954855 714178483 /nfs/dbraw/zinc/17/84/83/714178483.db2.gz PWPLZQBPRYYPTE-GFCCVEGCSA-N 1 0 331.420 2.699 20 10 EFCDRO CC(C)C[NH+]1CC([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970954636 714179743 /nfs/dbraw/zinc/17/97/43/714179743.db2.gz PDCPKQKFGVVGQO-LBPRGKRZSA-N 1 0 331.420 2.555 20 10 EFCDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2cncc(F)c2)C1 ZINC000255232618 714396775 /nfs/dbraw/zinc/39/67/75/714396775.db2.gz WPFOFHYLJBFYHT-ZPUOCTKUSA-N 1 0 325.387 2.753 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)c3ccn[nH]3)C2)cc1C ZINC000980936724 717974698 /nfs/dbraw/zinc/97/46/98/717974698.db2.gz YRWLVIHQJNFMRO-JKSUJKDBSA-N 1 0 342.443 2.558 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160731501 714452073 /nfs/dbraw/zinc/45/20/73/714452073.db2.gz AXANMCQVVKVWMM-KRWDZBQOSA-N 1 0 331.460 2.798 20 10 EFCDRO CCCC[N@H+](Cc1cc(Cl)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000160770239 714464782 /nfs/dbraw/zinc/46/47/82/714464782.db2.gz MLTHLRVSJOMERO-AWEZNQCLSA-N 1 0 331.865 2.835 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)c3cn[nH]c3)C2)cc1C ZINC000980940384 717980386 /nfs/dbraw/zinc/98/03/86/717980386.db2.gz ISAXWCLDPGSINL-DLBZAZTESA-N 1 0 342.443 2.558 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)c3cn[nH]c3)C2)cc1C ZINC000980940386 717980446 /nfs/dbraw/zinc/98/04/46/717980446.db2.gz ISAXWCLDPGSINL-IRXDYDNUSA-N 1 0 342.443 2.558 20 10 EFCDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000050901233 714508833 /nfs/dbraw/zinc/50/88/33/714508833.db2.gz MOKZZFMXJZFTGN-UONOGXRCSA-N 1 0 348.443 2.638 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccnc(F)c3)C2)cc1C ZINC001021887267 714582163 /nfs/dbraw/zinc/58/21/63/714582163.db2.gz MBDLGTMSQRVMPL-IYBDPMFKSA-N 1 0 343.402 2.588 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC([NH3+])(CC)CC2)cc1 ZINC000891391853 714599383 /nfs/dbraw/zinc/59/93/83/714599383.db2.gz RIPGJLASQVXTGF-UHFFFAOYSA-N 1 0 332.492 2.946 20 10 EFCDRO COc1ccc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c(O)c1OC ZINC000891400970 714618952 /nfs/dbraw/zinc/61/89/52/714618952.db2.gz XONVAONQEZXJOX-QGZVFWFLSA-N 1 0 342.439 2.898 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(F)cn3)C2)cc1C ZINC001021995257 714632701 /nfs/dbraw/zinc/63/27/01/714632701.db2.gz ATTNDBZDMAAICI-IYBDPMFKSA-N 1 0 343.402 2.588 20 10 EFCDRO CN(c1ccc(CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1)C1CCCCC1 ZINC000891444368 714700812 /nfs/dbraw/zinc/70/08/12/714700812.db2.gz CMDWYINQIPDRDK-CALCHBBNSA-N 1 0 344.503 2.992 20 10 EFCDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000891532711 714806133 /nfs/dbraw/zinc/80/61/33/714806133.db2.gz LOCYEWXABYKTSD-WBVHZDCISA-N 1 0 330.476 2.554 20 10 EFCDRO CC[C@@H]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)O1 ZINC001022155176 714839027 /nfs/dbraw/zinc/83/90/27/714839027.db2.gz HOUKARLOIQBTDA-NTDBWNAOSA-N 1 0 346.471 2.698 20 10 EFCDRO CN1CCCc2cc(CNC(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)ccc21 ZINC000176039071 714878942 /nfs/dbraw/zinc/87/89/42/714878942.db2.gz ZSGDJGUTOPYAQS-ROUUACIJSA-N 1 0 344.503 2.741 20 10 EFCDRO COC(=O)[C@@H](C)Oc1ccccc1C[N@H+](C)Cc1ccccc1O ZINC000891714256 714970787 /nfs/dbraw/zinc/97/07/87/714970787.db2.gz UEJMMCYNIAJJIP-CQSZACIVSA-N 1 0 329.396 2.965 20 10 EFCDRO C[C@@H](NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(N(C)C)cc1 ZINC000891813295 715034319 /nfs/dbraw/zinc/03/43/19/715034319.db2.gz JXJZTYYNZLRIOA-TXCZRRACSA-N 1 0 330.476 2.643 20 10 EFCDRO CCc1c[nH]c2ncnc(NCc3ccc(N4CCOCC4)cc3)c12 ZINC000891967522 715193288 /nfs/dbraw/zinc/19/32/88/715193288.db2.gz NLUVOAUIDKLVNE-UHFFFAOYSA-N 1 0 337.427 2.921 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cocc3C)C2)cc1C ZINC001022554274 715209303 /nfs/dbraw/zinc/20/93/03/715209303.db2.gz OMZIEHLNTKVUQP-IYBDPMFKSA-N 1 0 328.412 2.956 20 10 EFCDRO COc1ccc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(O)c1OC ZINC000892142404 715272639 /nfs/dbraw/zinc/27/26/39/715272639.db2.gz FGRKLRXLPPVQBB-HNNXBMFYSA-N 1 0 334.460 2.573 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C)[C@H]3CCCO3)C2)cc1C ZINC001022679032 715292211 /nfs/dbraw/zinc/29/22/11/715292211.db2.gz UISKWXLQXIWHPC-ITQYTPKQSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C)[C@H]3CCCO3)C2)cc1C ZINC001022679035 715292331 /nfs/dbraw/zinc/29/23/31/715292331.db2.gz UISKWXLQXIWHPC-VYCZESIESA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3occc3C)C2)cc1C ZINC001022683020 715300872 /nfs/dbraw/zinc/30/08/72/715300872.db2.gz XMMHNOAVRSUKHS-CALCHBBNSA-N 1 0 342.439 2.885 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3CC4(CC4)C3)C2)cc1C ZINC001022688662 715309919 /nfs/dbraw/zinc/30/99/19/715309919.db2.gz BPHDMMQBQJYFDS-CALCHBBNSA-N 1 0 328.456 2.931 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(O)c1OC ZINC000892223233 715373228 /nfs/dbraw/zinc/37/32/28/715373228.db2.gz HBNJZTHBTGOVAQ-HIFRSBDPSA-N 1 0 331.416 2.689 20 10 EFCDRO COc1cc(C(=O)N[C@H]2CC[N@H+](CC=C(C)C)[C@H](C)C2)cc(OC)n1 ZINC000947497414 715411733 /nfs/dbraw/zinc/41/17/33/715411733.db2.gz IMQRSWIPSZOQDG-ZBFHGGJFSA-N 1 0 347.459 2.648 20 10 EFCDRO CC1(C)CC[C@@H](CO)[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000895923839 724395976 /nfs/dbraw/zinc/39/59/76/724395976.db2.gz LYROMNOQYNWSRJ-SFHVURJKSA-N 1 0 332.488 2.631 20 10 EFCDRO C[NH+](C)[C@H]1Cc2ccccc2N(Cc2cc3c(cc2O)OCO3)C1 ZINC000158498139 715587182 /nfs/dbraw/zinc/58/71/82/715587182.db2.gz WQQNEUBMOZXGDA-HNNXBMFYSA-N 1 0 326.396 2.614 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3oncc3C)C2)cc1C ZINC001027152621 715719980 /nfs/dbraw/zinc/71/99/80/715719980.db2.gz KUDNTQXVOHPXIU-INIZCTEOSA-N 1 0 343.427 2.552 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C3CC3)C2)cc1C ZINC001022835888 715774283 /nfs/dbraw/zinc/77/42/83/715774283.db2.gz JOUYXXAYRUAXPV-XWTMOSNGSA-N 1 0 328.456 2.787 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3ccco3)C2)cc1C ZINC001022874539 715842647 /nfs/dbraw/zinc/84/26/47/715842647.db2.gz FMMFDUGMQGVRAJ-IYBDPMFKSA-N 1 0 328.412 2.576 20 10 EFCDRO COc1ccc(C[NH+]2CCC(C)(c3nc(C)no3)CC2)c(O)c1OC ZINC000893487462 716005824 /nfs/dbraw/zinc/00/58/24/716005824.db2.gz JXWQFPITJQEEGC-UHFFFAOYSA-N 1 0 347.415 2.655 20 10 EFCDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000104328955 716032739 /nfs/dbraw/zinc/03/27/39/716032739.db2.gz GZGKYDSCJGPDGV-QFBILLFUSA-N 1 0 345.487 2.575 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+]CCO[C@H]1CCCCO1 ZINC000894793259 722852027 /nfs/dbraw/zinc/85/20/27/722852027.db2.gz HXTZTBDTIMRIKW-AWEZNQCLSA-N 1 0 330.222 2.788 20 10 EFCDRO CC[C@H]([NH2+][C@@H]1COCC[C@H]1OC)c1cc(Br)ccc1O ZINC000724886517 716318433 /nfs/dbraw/zinc/31/84/33/716318433.db2.gz HXEHDJDHBBPROQ-GZBFAFLISA-N 1 0 344.249 2.999 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+](CC(C)C)CC(C)C)cc2=O ZINC000052615634 716389368 /nfs/dbraw/zinc/38/93/68/716389368.db2.gz ONFANRISZXKSPR-UHFFFAOYSA-N 1 0 348.447 2.726 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)CC(C)C)CCO2)cc1C ZINC000979195659 716791520 /nfs/dbraw/zinc/79/15/20/716791520.db2.gz DPAQMLSQBSZEGO-LPHOPBHVSA-N 1 0 348.487 2.755 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c2c1c(F)ccc2O ZINC000840875335 716806237 /nfs/dbraw/zinc/80/62/37/716806237.db2.gz CUFMGAKZRWJSAD-ZYHUDNBSSA-N 1 0 329.437 2.883 20 10 EFCDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001023770465 716991482 /nfs/dbraw/zinc/99/14/82/716991482.db2.gz ZWWHEXWXXINBSR-CQSZACIVSA-N 1 0 345.447 2.947 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)cc1C ZINC001023830656 717073842 /nfs/dbraw/zinc/07/38/42/717073842.db2.gz YZJWKXDVUMFMGY-HKUYNNGSSA-N 1 0 346.471 2.511 20 10 EFCDRO CC[C@H](OC)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001023882786 717105812 /nfs/dbraw/zinc/10/58/12/717105812.db2.gz IBXXIXQFSJAKOJ-ROUUACIJSA-N 1 0 348.487 2.757 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)c3cocn3)C2)cc1C ZINC000980434458 717275376 /nfs/dbraw/zinc/27/53/76/717275376.db2.gz GLJUINKQMYULMN-GOEBONIOSA-N 1 0 343.427 2.632 20 10 EFCDRO CSc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)co1 ZINC000893607333 717356221 /nfs/dbraw/zinc/35/62/21/717356221.db2.gz GFBNOVDLBVAZDA-UHFFFAOYSA-N 1 0 345.468 2.683 20 10 EFCDRO C[N@H+](CCC1CC1)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980510926 717361828 /nfs/dbraw/zinc/36/18/28/717361828.db2.gz MLDYVIROUOAUEA-INIZCTEOSA-N 1 0 343.431 2.795 20 10 EFCDRO C[N@H+](CCC1CC1)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980510927 717361971 /nfs/dbraw/zinc/36/19/71/717361971.db2.gz MLDYVIROUOAUEA-MRXNPFEDSA-N 1 0 343.431 2.795 20 10 EFCDRO C[N@H+](CC1CCC1)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980510083 717377362 /nfs/dbraw/zinc/37/73/62/717377362.db2.gz GCAZVMMNVYVPJY-INIZCTEOSA-N 1 0 343.431 2.795 20 10 EFCDRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000892442753 717487864 /nfs/dbraw/zinc/48/78/64/717487864.db2.gz JICMCMVVDOZKQU-CTYIDZIISA-N 1 0 331.460 2.588 20 10 EFCDRO CN(Cc1cnn(C)c1C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000893572706 717516833 /nfs/dbraw/zinc/51/68/33/717516833.db2.gz SQUWXMGYXHVQPY-UHFFFAOYSA-N 1 0 328.460 2.874 20 10 EFCDRO OC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCCCC1 ZINC000304225544 724448248 /nfs/dbraw/zinc/44/82/48/724448248.db2.gz KVJFYNOYEDJGJJ-UHFFFAOYSA-N 1 0 336.451 2.837 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](Cc2ccccc2)N(C)C)c(O)c1OC ZINC000892451380 717547030 /nfs/dbraw/zinc/54/70/30/717547030.db2.gz SXWKEMBNXRZMIS-KRWDZBQOSA-N 1 0 344.455 2.672 20 10 EFCDRO COc1ccc(C[NH2+]Cc2nn(C)c3ccccc23)c(O)c1OC ZINC000893587604 717810422 /nfs/dbraw/zinc/81/04/22/717810422.db2.gz GEWGUABHZHSTSB-UHFFFAOYSA-N 1 0 327.384 2.586 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)C(F)F)C2)cc1C ZINC000980841520 717822352 /nfs/dbraw/zinc/82/23/52/717822352.db2.gz LVAWVBSPOBFRMS-KGLIPLIRSA-N 1 0 326.387 2.786 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN(C(=O)C2CC2)CC1(C)C ZINC000840939293 717875283 /nfs/dbraw/zinc/87/52/83/717875283.db2.gz KMKWONQXMCAXBZ-UHFFFAOYSA-N 1 0 329.488 2.894 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000177531771 718085391 /nfs/dbraw/zinc/08/53/91/718085391.db2.gz OAPAXUTYOAKNQB-HDICACEKSA-N 1 0 329.488 2.833 20 10 EFCDRO Cc1ccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)c(O)c1O ZINC000177663507 718152356 /nfs/dbraw/zinc/15/23/56/718152356.db2.gz SIFSZXNEODPETR-UHFFFAOYSA-N 1 0 328.412 2.658 20 10 EFCDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C)c(O)c1O)c1ccco1 ZINC000177676914 718158654 /nfs/dbraw/zinc/15/86/54/718158654.db2.gz ZTKNIZZPVUXJAO-CQSZACIVSA-N 1 0 332.400 2.812 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)C(F)F)cc1C ZINC001024838276 718185438 /nfs/dbraw/zinc/18/54/38/718185438.db2.gz KVCMZUWDWHWKTP-CQSZACIVSA-N 1 0 326.387 2.739 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)c2ccon2)cc1C ZINC001024885287 718205263 /nfs/dbraw/zinc/20/52/63/718205263.db2.gz JMJJIGSODBACTH-MRXNPFEDSA-N 1 0 343.427 2.776 20 10 EFCDRO [NH3+][C@H]1C[C@@H](CNC(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000892559694 718283729 /nfs/dbraw/zinc/28/37/29/718283729.db2.gz NFACFTOTTWQFCU-FZNQNYSPSA-N 1 0 331.460 2.974 20 10 EFCDRO CN(C)c1ccc(CNc2ccc(N3CC[NH+](C)CC3)nc2)cc1F ZINC000162942925 718367963 /nfs/dbraw/zinc/36/79/63/718367963.db2.gz VXCGKPVBCCUGSD-UHFFFAOYSA-N 1 0 343.450 2.651 20 10 EFCDRO CC(C)[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029912802 724508143 /nfs/dbraw/zinc/50/81/43/724508143.db2.gz RRUSDUQYSVEUHM-CYBMUJFWSA-N 1 0 331.420 2.651 20 10 EFCDRO CN(C)c1ccc(CNC(=O)CC[C@H]([NH3+])c2ccccc2)cc1F ZINC000166457631 718625293 /nfs/dbraw/zinc/62/52/93/718625293.db2.gz LHPSLYWLDLMFNB-KRWDZBQOSA-N 1 0 329.419 2.988 20 10 EFCDRO CC(C)[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000981539863 718798805 /nfs/dbraw/zinc/79/88/05/718798805.db2.gz ABYJCRVXZJLARO-HUUCEWRRSA-N 1 0 331.420 2.888 20 10 EFCDRO CCn1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000892728925 719057129 /nfs/dbraw/zinc/05/71/29/719057129.db2.gz HQAYZFZJGNRXJI-HNNXBMFYSA-N 1 0 328.460 2.899 20 10 EFCDRO C[C@@H]([NH2+]Cc1cnn(C)c1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000892730348 719061154 /nfs/dbraw/zinc/06/11/54/719061154.db2.gz GQWAKBWCFQWULW-OAHLLOKOSA-N 1 0 340.471 2.985 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCc3nc(C)ncc32)c(O)c1OC ZINC000892949240 719315513 /nfs/dbraw/zinc/31/55/13/719315513.db2.gz OKAHJCWECVANQU-CQSZACIVSA-N 1 0 329.400 2.675 20 10 EFCDRO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000180591751 719952508 /nfs/dbraw/zinc/95/25/08/719952508.db2.gz OJCSDLVXKQRPST-SOGBHIHOSA-N 1 0 326.396 2.530 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(O)c1OC ZINC000893208742 720050811 /nfs/dbraw/zinc/05/08/11/720050811.db2.gz GKKGZBVPSRRVLB-MORSLUCNSA-N 1 0 333.428 2.847 20 10 EFCDRO COc1cc(C)cc(C[NH+]2CCN([C@H](C)c3cccnc3)CC2)c1O ZINC000894026331 720238307 /nfs/dbraw/zinc/23/83/07/720238307.db2.gz MCMGBNAVXAVEIA-MRXNPFEDSA-N 1 0 341.455 2.983 20 10 EFCDRO Cc1cc(CN2CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)no1 ZINC000159510381 720288026 /nfs/dbraw/zinc/28/80/26/720288026.db2.gz QSNYQFDXIVUIRW-UHFFFAOYSA-N 1 0 341.455 2.885 20 10 EFCDRO CCC[N@H+](Cc1c(O)ccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000014264432 720306499 /nfs/dbraw/zinc/30/64/99/720306499.db2.gz YMTAPEKGYKEBBU-OAHLLOKOSA-N 1 0 333.453 2.945 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c(O)c1OC ZINC000893264412 720344138 /nfs/dbraw/zinc/34/41/38/720344138.db2.gz CVKLYONWJBJETJ-GOSISDBHSA-N 1 0 335.375 2.546 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCC2)cc1 ZINC001028340928 720400371 /nfs/dbraw/zinc/40/03/71/720400371.db2.gz YJABPJTUUCONFZ-MRXNPFEDSA-N 1 0 343.431 2.843 20 10 EFCDRO CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000185522334 720418113 /nfs/dbraw/zinc/41/81/13/720418113.db2.gz SWCIUFIPEZPBJD-ZDUSSCGKSA-N 1 0 328.412 2.654 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccsn3)[C@H]2C)cc1C ZINC000986413979 724677944 /nfs/dbraw/zinc/67/79/44/724677944.db2.gz OEFYRGMZKOZTLJ-ZFWWWQNUSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2COC3(CCCCC3)O2)c(O)c1OC ZINC000893304567 720525948 /nfs/dbraw/zinc/52/59/48/720525948.db2.gz NSDAGTXQURXCKI-CQSZACIVSA-N 1 0 337.416 2.575 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H]1C ZINC000296153659 720544340 /nfs/dbraw/zinc/54/43/40/720544340.db2.gz YFNXGYFENNKTSN-DNVCBOLYSA-N 1 0 346.471 2.543 20 10 EFCDRO CCC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]21 ZINC001026429905 720564876 /nfs/dbraw/zinc/56/48/76/720564876.db2.gz GROBQNDLFLBMGY-CWRNSKLLSA-N 1 0 343.431 2.699 20 10 EFCDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000188931189 720578423 /nfs/dbraw/zinc/57/84/23/720578423.db2.gz GOMKYNFRUUEFMQ-FQEVSTJZSA-N 1 0 340.467 2.525 20 10 EFCDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2cccc(OC)c2O)CC1 ZINC000189368869 720603496 /nfs/dbraw/zinc/60/34/96/720603496.db2.gz SSXIINHURKAPNO-CYBMUJFWSA-N 1 0 336.432 2.747 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](c2ccccc2)N(C)C)c(O)c1OC ZINC000893321122 720610773 /nfs/dbraw/zinc/61/07/73/720610773.db2.gz UMUVAHZMRZNTFQ-INIZCTEOSA-N 1 0 330.428 2.802 20 10 EFCDRO COC(=O)[C@](C)(C[NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000191577216 720760369 /nfs/dbraw/zinc/76/03/69/720760369.db2.gz VYZAOYQNXYFLRP-HXUWFJFHSA-N 1 0 326.440 2.973 20 10 EFCDRO COc1cc(C)cc(C[NH2+]Cc2ccccc2Cn2cncn2)c1O ZINC000894135555 720837116 /nfs/dbraw/zinc/83/71/16/720837116.db2.gz TWHYCXXBBXKYAP-UHFFFAOYSA-N 1 0 338.411 2.639 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3ccc[nH]3)C2)cc1C ZINC001026681147 720924785 /nfs/dbraw/zinc/92/47/85/720924785.db2.gz JXURZIQUTDVCGN-MRXNPFEDSA-N 1 0 327.428 2.584 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3ccc[nH]3)C2)cc1C ZINC001026681146 720924819 /nfs/dbraw/zinc/92/48/19/720924819.db2.gz JXURZIQUTDVCGN-INIZCTEOSA-N 1 0 327.428 2.584 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3ccoc3)C2)cc1C ZINC001026682914 720926842 /nfs/dbraw/zinc/92/68/42/720926842.db2.gz YRJSCPKJYUVGMI-INIZCTEOSA-N 1 0 328.412 2.849 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C[C@@H]3CCCO3)C2)cc1C ZINC001026703987 720946868 /nfs/dbraw/zinc/94/68/68/720946868.db2.gz PONMHIONXSHNRO-MSOLQXFVSA-N 1 0 346.471 2.511 20 10 EFCDRO c1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c2c(c1)OCCO2 ZINC000067222093 720958173 /nfs/dbraw/zinc/95/81/73/720958173.db2.gz IEXTXKXINYBAIQ-UHFFFAOYSA-N 1 0 340.423 2.584 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3ccoc3)C2)cc1C ZINC001026798263 721127383 /nfs/dbraw/zinc/12/73/83/721127383.db2.gz KWICTCYBIGXRGW-SFHVURJKSA-N 1 0 342.439 2.777 20 10 EFCDRO c1cc(N2CCOCC2)ccc1CN1CC[NH+](C2CCCC2)CC1 ZINC000120563889 721145719 /nfs/dbraw/zinc/14/57/19/721145719.db2.gz NCDKGKVUOFZQKG-UHFFFAOYSA-N 1 0 329.488 2.583 20 10 EFCDRO CCNC(=O)c1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894176578 721169888 /nfs/dbraw/zinc/16/98/88/721169888.db2.gz UNABKULRTFSXQG-UHFFFAOYSA-N 1 0 328.412 2.749 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCCS(=O)(=O)c2ccccc2)c1O ZINC000894210704 721251054 /nfs/dbraw/zinc/25/10/54/721251054.db2.gz JFKQYEPAVGLVDI-UHFFFAOYSA-N 1 0 349.452 2.663 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCCc2nnc3n2CCCCC3)c1O ZINC000894222490 721295255 /nfs/dbraw/zinc/29/52/55/721295255.db2.gz USKVFWPWQABYJE-UHFFFAOYSA-N 1 0 344.459 2.750 20 10 EFCDRO CN(C)c1ccc(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000237120225 721310816 /nfs/dbraw/zinc/31/08/16/721310816.db2.gz XWYSALIECXVWNN-UHFFFAOYSA-N 1 0 337.467 2.690 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNCc3ocnc3C)cc2F)CC1 ZINC000894233782 721352391 /nfs/dbraw/zinc/35/23/91/721352391.db2.gz NPVZYQYXGMOQOX-UHFFFAOYSA-N 1 0 332.423 2.554 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3cc(F)c[nH]3)C2)cc1C ZINC001026962026 721445696 /nfs/dbraw/zinc/44/56/96/721445696.db2.gz YYOUNILHWJXKDN-OAHLLOKOSA-N 1 0 345.418 2.723 20 10 EFCDRO COc1ccc(C[NH2+][C@@]2(CO)CCCc3ccccc32)c(O)c1OC ZINC000894250997 721742793 /nfs/dbraw/zinc/74/27/93/721742793.db2.gz DJSZYRWJAPDKNM-HXUWFJFHSA-N 1 0 343.423 2.723 20 10 EFCDRO CC(C)N(CC[NH+](C)C)C(=O)NCCCSc1nccs1 ZINC000159636926 722623908 /nfs/dbraw/zinc/62/39/08/722623908.db2.gz VOPPXXYPNZIMGY-UHFFFAOYSA-N 1 0 330.523 2.607 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3cc[nH]c3C)C2)cc1C ZINC000983436527 722624737 /nfs/dbraw/zinc/62/47/37/722624737.db2.gz IBPHXZHDJHQQFI-QAQDUYKDSA-N 1 0 341.455 2.938 20 10 EFCDRO CC(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013483 722638165 /nfs/dbraw/zinc/63/81/65/722638165.db2.gz AXGVMNKTBFOYMJ-AWEZNQCLSA-N 1 0 345.447 2.947 20 10 EFCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c1O ZINC000894385442 722677237 /nfs/dbraw/zinc/67/72/37/722677237.db2.gz MRXCSLLPMQDSHP-UHFFFAOYSA-N 1 0 349.452 2.544 20 10 EFCDRO CCOc1ccc(NC(=O)C[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894386856 722679073 /nfs/dbraw/zinc/67/90/73/722679073.db2.gz NXBMUAJOYGADSX-UHFFFAOYSA-N 1 0 344.411 2.836 20 10 EFCDRO COc1ccc2c(c1)nc(C[NH2+]Cc1cc(C)cc(OC)c1O)n2C ZINC000894482128 722749825 /nfs/dbraw/zinc/74/98/25/722749825.db2.gz CAKRUJQYTBZCNT-UHFFFAOYSA-N 1 0 341.411 2.894 20 10 EFCDRO COc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(O)c1OC ZINC000894553966 722781135 /nfs/dbraw/zinc/78/11/35/722781135.db2.gz VYQJALXZBFZXJZ-QAPCUYQASA-N 1 0 333.428 2.943 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc3cnn(C)c3c2)c(O)c1OC ZINC000894563951 722784007 /nfs/dbraw/zinc/78/40/07/722784007.db2.gz CEKJWPNCZPIJKK-UHFFFAOYSA-N 1 0 327.384 2.586 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)c(O)c1OC ZINC000894614021 722796884 /nfs/dbraw/zinc/79/68/84/722796884.db2.gz WJSIXQDESQGAGO-SFHVURJKSA-N 1 0 346.427 2.654 20 10 EFCDRO OCC1([C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C2CC2)CCOCC1 ZINC000894639009 722805441 /nfs/dbraw/zinc/80/54/41/722805441.db2.gz NCHJSQHYMKRHOZ-IBGZPJMESA-N 1 0 331.456 2.669 20 10 EFCDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894667818 722811319 /nfs/dbraw/zinc/81/13/19/722811319.db2.gz NVRGWFVCOWULCT-NSHDSACASA-N 1 0 337.338 2.857 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c(O)c1OC ZINC000894722274 722831791 /nfs/dbraw/zinc/83/17/91/722831791.db2.gz AMCVDJFIYWEBRP-ZBFHGGJFSA-N 1 0 325.449 2.788 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c(O)c1OC ZINC000894738445 722833638 /nfs/dbraw/zinc/83/36/38/722833638.db2.gz PDCYBMGVMWIDDM-WBVHZDCISA-N 1 0 344.411 2.814 20 10 EFCDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000894739225 722834014 /nfs/dbraw/zinc/83/40/14/722834014.db2.gz ATTCMSYACYCKHD-OAHLLOKOSA-N 1 0 336.432 2.810 20 10 EFCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(C[S@](C)=O)cc2)c1O ZINC000894756306 722837649 /nfs/dbraw/zinc/83/76/49/722837649.db2.gz ICORWEVJUFGWOY-QHCPKHFHSA-N 1 0 333.453 2.878 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c1O ZINC000894789672 722845054 /nfs/dbraw/zinc/84/50/54/722845054.db2.gz IONYDMMKQYHTAM-XLIONFOSSA-N 1 0 327.424 2.965 20 10 EFCDRO Oc1cccc(Br)c1C[NH2+]CCO[C@@H]1CCCCO1 ZINC000894792661 722851903 /nfs/dbraw/zinc/85/19/03/722851903.db2.gz CFNRLKLJDGPOEJ-CQSZACIVSA-N 1 0 330.222 2.788 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000141066744 723010275 /nfs/dbraw/zinc/01/02/75/723010275.db2.gz XNJWFJQRUQHSAD-PKOBYXMFSA-N 1 0 344.503 2.687 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@@H](c2nnc[nH]2)c2ccccc2)c1O ZINC000894916633 723027791 /nfs/dbraw/zinc/02/77/91/723027791.db2.gz LFYIGKKDPIAYEB-MRXNPFEDSA-N 1 0 338.411 2.749 20 10 EFCDRO COc1ccc(C[NH+]2CCC(OC)(C(F)(F)F)CC2)c(O)c1OC ZINC000894951337 723036334 /nfs/dbraw/zinc/03/63/34/723036334.db2.gz MQGHVASKQSKXNV-UHFFFAOYSA-N 1 0 349.349 2.953 20 10 EFCDRO CCn1cc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)c(C)n1 ZINC000895005577 723047084 /nfs/dbraw/zinc/04/70/84/723047084.db2.gz GUAUNSVGUCPSOM-INIZCTEOSA-N 1 0 328.460 2.836 20 10 EFCDRO CCc1cccc(NC(=O)C[NH2+]Cc2cc(OC)c(OC)cc2O)c1 ZINC000895039684 723057504 /nfs/dbraw/zinc/05/75/04/723057504.db2.gz PWFAZBLYJSOCMK-UHFFFAOYSA-N 1 0 344.411 2.700 20 10 EFCDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000895940338 723065410 /nfs/dbraw/zinc/06/54/10/723065410.db2.gz ZOPDFNSMKBBSFY-ZDUSSCGKSA-N 1 0 337.416 2.575 20 10 EFCDRO COc1ccc(C[NH+]2CCC(C(=O)OC(C)C)CC2)c(O)c1OC ZINC000896058735 723113526 /nfs/dbraw/zinc/11/35/26/723113526.db2.gz QVHPDIJIXYCRBU-UHFFFAOYSA-N 1 0 337.416 2.573 20 10 EFCDRO COc1cc2c(cc1O)CC[N@H+](Cc1ccc(OC)c(OC)c1O)C2 ZINC000896070366 723119721 /nfs/dbraw/zinc/11/97/21/723119721.db2.gz MLDKBVNMKKLDEV-UHFFFAOYSA-N 1 0 345.395 2.682 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(Nc3ccccn3)CC2)cc1OC ZINC000896194833 723198788 /nfs/dbraw/zinc/19/87/88/723198788.db2.gz GLOWYMLVJUFSEK-UHFFFAOYSA-N 1 0 343.427 2.881 20 10 EFCDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000896270627 723229542 /nfs/dbraw/zinc/22/95/42/723229542.db2.gz SCLDTCXHYNYSBD-SJORKVTESA-N 1 0 346.471 2.773 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2C=CCC2)[NH+](C)C)cc1 ZINC000896418341 723294096 /nfs/dbraw/zinc/29/40/96/723294096.db2.gz MLJXBNFYNWWKAQ-MAUKXSAKSA-N 1 0 330.476 2.621 20 10 EFCDRO COc1ccc(C[NH2+]CCc2cn3c(cccc3C)n2)c(O)c1OC ZINC000895125874 723359805 /nfs/dbraw/zinc/35/98/05/723359805.db2.gz ZGOYENSFZZVKHI-UHFFFAOYSA-N 1 0 341.411 2.698 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC(Cc3noc(C)n3)CC2)c1O ZINC000896550468 723368886 /nfs/dbraw/zinc/36/88/86/723368886.db2.gz APTANXXSMROPNQ-UHFFFAOYSA-N 1 0 331.416 2.937 20 10 EFCDRO CCOc1ccc(O)c(C[NH+]2CCC(Cc3noc(C)n3)CC2)c1 ZINC000896551681 723369685 /nfs/dbraw/zinc/36/96/85/723369685.db2.gz OZEPXRKOCBDPFX-UHFFFAOYSA-N 1 0 331.416 2.937 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2cccc(F)c2)c(O)c1OC ZINC000896562294 723375430 /nfs/dbraw/zinc/37/54/30/723375430.db2.gz SMOXDJAHVYZCNF-GOSISDBHSA-N 1 0 335.375 2.546 20 10 EFCDRO COc1cc(O)c(C[NH2+]C[C@H]2CCCN2CC(F)(F)F)cc1OC ZINC000896839863 723535869 /nfs/dbraw/zinc/53/58/69/723535869.db2.gz ONEKJPDTPQUZDE-GFCCVEGCSA-N 1 0 348.365 2.526 20 10 EFCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000841334174 723571506 /nfs/dbraw/zinc/57/15/06/723571506.db2.gz YPXJSUIFLDUFHF-CQSZACIVSA-N 1 0 347.381 2.984 20 10 EFCDRO COC(=O)[C@]12C[N@H+](Cc3ccc(OC)c(OC)c3O)C[C@H]1CCCC2 ZINC000895200341 723869039 /nfs/dbraw/zinc/86/90/39/723869039.db2.gz GXBPVRBDDUMBGM-AUUYWEPGSA-N 1 0 349.427 2.575 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000918215599 728855273 /nfs/dbraw/zinc/85/52/73/728855273.db2.gz GMTCDCAISQBPEY-RTBURBONSA-N 1 0 344.503 2.959 20 10 EFCDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000154670254 728858650 /nfs/dbraw/zinc/85/86/50/728858650.db2.gz BDOLIUGOWROTRR-CYBMUJFWSA-N 1 0 342.534 2.751 20 10 EFCDRO CCO[C@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000897068864 723978676 /nfs/dbraw/zinc/97/86/76/723978676.db2.gz NHERISDKKLDZFT-LBPRGKRZSA-N 1 0 330.222 2.774 20 10 EFCDRO Cn1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(C2CC2)n1 ZINC000895450536 724139505 /nfs/dbraw/zinc/13/95/05/724139505.db2.gz AUTIHIVDCJSUOH-UHFFFAOYSA-N 1 0 340.471 2.548 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)c(O)c1OC ZINC000895461383 724144093 /nfs/dbraw/zinc/14/40/93/724144093.db2.gz XYIFMSXUYHEILF-XJKSGUPXSA-N 1 0 331.412 2.664 20 10 EFCDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895463398 724146424 /nfs/dbraw/zinc/14/64/24/724146424.db2.gz RZDLBBMZZCWEEN-KDOFPFPSSA-N 1 0 337.416 2.621 20 10 EFCDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895463397 724146695 /nfs/dbraw/zinc/14/66/95/724146695.db2.gz RZDLBBMZZCWEEN-KBXCAEBGSA-N 1 0 337.416 2.621 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)c(O)c1OC ZINC000895492810 724158717 /nfs/dbraw/zinc/15/87/17/724158717.db2.gz FUNUTWNSJNGSQD-INIZCTEOSA-N 1 0 344.411 2.596 20 10 EFCDRO Cc1cccc(C[NH2+]C[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)c1O ZINC000895505410 724164725 /nfs/dbraw/zinc/16/47/25/724164725.db2.gz RNBHEXNISHZHHL-KRWDZBQOSA-N 1 0 338.407 2.918 20 10 EFCDRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3ccc(C)cc3O)C2)cc1 ZINC000895497383 724168957 /nfs/dbraw/zinc/16/89/57/724168957.db2.gz IDAMRJQFYLBSOW-KRWDZBQOSA-N 1 0 326.396 2.992 20 10 EFCDRO COc1cccc([C@H](C[NH2+]Cc2ccc(OC)c(OC)c2O)OC)c1 ZINC000895546295 724190409 /nfs/dbraw/zinc/19/04/09/724190409.db2.gz UYOTZTLQZFKNFL-KRWDZBQOSA-N 1 0 347.411 2.895 20 10 EFCDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1cccc(CC)c1O)C(F)(F)F ZINC000895716500 724276356 /nfs/dbraw/zinc/27/63/56/724276356.db2.gz IRZPOSXYEKOSKP-WHLNPGIBSA-N 1 0 333.350 2.888 20 10 EFCDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1cc(OCC)ccc1O)C(F)(F)F ZINC000895708718 724279002 /nfs/dbraw/zinc/27/90/02/724279002.db2.gz VQYRSEKOMLHGMJ-MVGZEHJDSA-N 1 0 349.349 2.724 20 10 EFCDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1cc(C)c(C)cc1O)C(F)(F)F ZINC000895708706 724279178 /nfs/dbraw/zinc/27/91/78/724279178.db2.gz VLHPUUQOEJTSSJ-IYKSTZQJSA-N 1 0 333.350 2.942 20 10 EFCDRO CCO/C=C/[C@](O)(C[NH2+]Cc1ccc2c(c1)CCO2)C(F)(F)F ZINC000895709305 724279681 /nfs/dbraw/zinc/27/96/81/724279681.db2.gz ZDRVXLQDZIBNSJ-VFADXPBXSA-N 1 0 331.334 2.555 20 10 EFCDRO CCO/C=C/[C@](O)(C[NH2+]Cc1ccc(OCC)cc1O)C(F)(F)F ZINC000895709217 724279892 /nfs/dbraw/zinc/27/98/92/724279892.db2.gz XXMORCRBZDYYDY-KIUWMYQTSA-N 1 0 349.349 2.724 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+]CCc2ccccc2C(=O)OC)c1 ZINC000897309980 724347522 /nfs/dbraw/zinc/34/75/22/724347522.db2.gz RNKQUCUVOANNBZ-UHFFFAOYSA-N 1 0 329.396 2.910 20 10 EFCDRO COc1cc2c(cc1O)CC[N@H+](Cc1cc(OC)c(OC)cc1O)C2 ZINC000895887579 724373069 /nfs/dbraw/zinc/37/30/69/724373069.db2.gz CANFUGDXIZBAIX-UHFFFAOYSA-N 1 0 345.395 2.682 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc(C)no3)[C@H]2C)cc1C ZINC000985975945 724996161 /nfs/dbraw/zinc/99/61/61/724996161.db2.gz YQHLNAFTBBTAIN-GOEBONIOSA-N 1 0 343.427 2.693 20 10 EFCDRO C/C(=C(/F)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000918906052 728941102 /nfs/dbraw/zinc/94/11/02/728941102.db2.gz KXOCFPJGWONQOX-JXAWBTAJSA-N 1 0 331.435 2.708 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C(F)F)C2)cc1C ZINC000994597318 728949386 /nfs/dbraw/zinc/94/93/86/728949386.db2.gz NEHHMRQTERASIE-UONOGXRCSA-N 1 0 326.387 2.643 20 10 EFCDRO CC[N@H+](C)CC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001030015048 725442812 /nfs/dbraw/zinc/44/28/12/725442812.db2.gz BYDFIJDBOIVYJF-UHFFFAOYSA-N 1 0 331.420 2.653 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CC2(NC(=O)OC(C)(C)C)CC2)c1O ZINC000897420948 725507334 /nfs/dbraw/zinc/50/73/34/725507334.db2.gz LHKBWNYVVLCVBL-UHFFFAOYSA-N 1 0 336.432 2.856 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCCONC(=O)OC(C)(C)C)c1O ZINC000897425588 725548135 /nfs/dbraw/zinc/54/81/35/725548135.db2.gz YMYIXKDVMJPCAQ-UHFFFAOYSA-N 1 0 340.420 2.645 20 10 EFCDRO COc1cc(O)c(C[NH2+]Cc2cnn(CC3CCC3)c2)cc1OC ZINC000897433064 725758521 /nfs/dbraw/zinc/75/85/21/725758521.db2.gz SUHUEKXHCCXKKH-UHFFFAOYSA-N 1 0 331.416 2.696 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCOC1 ZINC000151586437 725783608 /nfs/dbraw/zinc/78/36/08/725783608.db2.gz ZZVFKKAJMQWZPF-AZUAARDMSA-N 1 0 332.488 2.800 20 10 EFCDRO C[C@@H](NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1)c1ccc(N(C)C)cc1 ZINC000897434551 725826795 /nfs/dbraw/zinc/82/67/95/725826795.db2.gz WACTVFVGQWWIOS-ACJLOTCBSA-N 1 0 341.459 2.733 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3ccco3)C2)cc1C ZINC000987793836 725851081 /nfs/dbraw/zinc/85/10/81/725851081.db2.gz KIJOOWAHOYMYKG-ZBFHGGJFSA-N 1 0 328.412 2.989 20 10 EFCDRO CC(C)[N@@H+]1CC[C@]2(NC(=O)c3ccc(N=NC(N)=O)cc3)CCC[C@@H]12 ZINC000992549919 725958423 /nfs/dbraw/zinc/95/84/23/725958423.db2.gz OUXPMLYYEYIVFL-CRAIPNDOSA-N 1 0 343.431 2.984 20 10 EFCDRO CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(N=NC(N)=O)cc3)CCC[C@@H]12 ZINC000992547784 725959127 /nfs/dbraw/zinc/95/91/27/725959127.db2.gz LUEHLGIIJRHUHP-PBHICJAKSA-N 1 0 329.404 2.596 20 10 EFCDRO COCC[NH2+]CCNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000152436089 726061005 /nfs/dbraw/zinc/06/10/05/726061005.db2.gz IKOUVIHOEZORNT-UHFFFAOYSA-N 1 0 349.862 2.713 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C(=O)C(C)(C)C)C2)cc1C ZINC000988389981 726231397 /nfs/dbraw/zinc/23/13/97/726231397.db2.gz IJKPKEPPUAIWKU-GOEBONIOSA-N 1 0 346.471 2.698 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3ocnc3C)C2)cc1C ZINC000988498531 726343971 /nfs/dbraw/zinc/34/39/71/726343971.db2.gz DMPDZAZPOUFHAD-CJNGLKHVSA-N 1 0 343.427 2.693 20 10 EFCDRO CN(C)c1ccc([C@@H](CNc2ccc([N+](=O)[O-])nc2)[NH+](C)C)cc1 ZINC000897521487 726397998 /nfs/dbraw/zinc/39/79/98/726397998.db2.gz GYTLOBDTURDAMG-MRXNPFEDSA-N 1 0 329.404 2.771 20 10 EFCDRO CN(C)c1ccc([C@H](CNc2nnc(C(F)F)o2)[NH+](C)C)cc1 ZINC000897521754 726398309 /nfs/dbraw/zinc/39/83/09/726398309.db2.gz IOIGPGWZYOREBM-LBPRGKRZSA-N 1 0 325.363 2.788 20 10 EFCDRO COc1cccc(O)c1C[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000732232669 727011313 /nfs/dbraw/zinc/01/13/13/727011313.db2.gz PVDDMDMSRMUJBJ-UHFFFAOYSA-N 1 0 340.423 2.813 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000324422226 727059460 /nfs/dbraw/zinc/05/94/60/727059460.db2.gz NPRRPLIHESDUFU-INIZCTEOSA-N 1 0 343.393 2.643 20 10 EFCDRO COC(=O)c1oc(CN(C)c2ccc(OCC[NH+](C)C)cc2)cc1C ZINC000732410700 727072664 /nfs/dbraw/zinc/07/26/64/727072664.db2.gz GXDLMNLFXPJMBH-UHFFFAOYSA-N 1 0 346.427 2.951 20 10 EFCDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000732448984 727081349 /nfs/dbraw/zinc/08/13/49/727081349.db2.gz MWHHOOHQZHDQQE-GOSISDBHSA-N 1 0 344.503 2.959 20 10 EFCDRO Cc1cc(CCNC(=O)NCCC[NH+](C)C)c(C)n1-c1ccccc1 ZINC000915882620 727531739 /nfs/dbraw/zinc/53/17/39/727531739.db2.gz WTNPIVHLWONTIW-UHFFFAOYSA-N 1 0 342.487 2.888 20 10 EFCDRO CC(C)Cc1ncc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000911667968 727576837 /nfs/dbraw/zinc/57/68/37/727576837.db2.gz VMMSLZMQSTZWCP-OAHLLOKOSA-N 1 0 346.500 2.837 20 10 EFCDRO CCC[N@H+](C)CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000912106696 727654505 /nfs/dbraw/zinc/65/45/05/727654505.db2.gz NRXVESJHGAQBJL-UHFFFAOYSA-N 1 0 345.409 2.985 20 10 EFCDRO CC[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)[NH+](C)C ZINC000912107663 727654760 /nfs/dbraw/zinc/65/47/60/727654760.db2.gz VIXFBBPJTBVHCI-OAHLLOKOSA-N 1 0 345.409 2.984 20 10 EFCDRO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000912111697 727655821 /nfs/dbraw/zinc/65/58/21/727655821.db2.gz XGEIDNXXAXYBCY-CQSZACIVSA-N 1 0 343.393 2.595 20 10 EFCDRO CC(C)[N@H+](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)Cc1ccc(N(C)C)cc1 ZINC000917074956 727763629 /nfs/dbraw/zinc/76/36/29/727763629.db2.gz MRJLHDAHSWPTKA-CALCHBBNSA-N 1 0 347.503 2.599 20 10 EFCDRO CCCC[N@H+](Cc1cc(C)c(C)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000054847214 727882039 /nfs/dbraw/zinc/88/20/39/727882039.db2.gz OUDUNNSXACWSPL-INIZCTEOSA-N 1 0 325.474 2.798 20 10 EFCDRO CCOc1cccc(C[NH+]2CCN(Cc3ccncc3)CC2)c1O ZINC000182040570 727904229 /nfs/dbraw/zinc/90/42/29/727904229.db2.gz OUAJKSUCFFYDNC-UHFFFAOYSA-N 1 0 327.428 2.504 20 10 EFCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC2(C1)OCCO2 ZINC000183041454 727933186 /nfs/dbraw/zinc/93/31/86/727933186.db2.gz BWWKZBSIAPYKSQ-UHFFFAOYSA-N 1 0 341.407 2.920 20 10 EFCDRO Cc1noc(C)c1CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000164671211 727964894 /nfs/dbraw/zinc/96/48/94/727964894.db2.gz FJYTUFXMAXRKKQ-UHFFFAOYSA-N 1 0 329.444 2.803 20 10 EFCDRO CC[C@H](CNC(=O)Cc1ccc(N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000164947509 728000417 /nfs/dbraw/zinc/00/04/17/728000417.db2.gz GTMKSCRUKZWJPY-HXUWFJFHSA-N 1 0 337.467 2.764 20 10 EFCDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000165095042 728012899 /nfs/dbraw/zinc/01/28/99/728012899.db2.gz CUZNOJQLJPZPHY-CQSZACIVSA-N 1 0 334.460 2.696 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COCc2ccccc2)c1 ZINC000182428889 728148556 /nfs/dbraw/zinc/14/85/56/728148556.db2.gz NDEWAPSYYDQANO-GDBMZVCRSA-N 1 0 331.412 2.629 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COCc2cccs2)c1 ZINC000182428993 728148614 /nfs/dbraw/zinc/14/86/14/728148614.db2.gz XCSDWNFLEJOYJX-STQMWFEESA-N 1 0 337.441 2.691 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N([C@H](C)C2CC2)C2CC2)c1 ZINC000182414083 728152476 /nfs/dbraw/zinc/15/24/76/728152476.db2.gz DFMXFRVZAMXEBC-CHWSQXEVSA-N 1 0 332.444 2.841 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)c1 ZINC000182415250 728152544 /nfs/dbraw/zinc/15/25/44/728152544.db2.gz VCJDGVXDJUFRLS-GFCCVEGCSA-N 1 0 325.368 2.562 20 10 EFCDRO Cc1nn(C)c(C)c1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000157569933 728162460 /nfs/dbraw/zinc/16/24/60/728162460.db2.gz ZPPSUIYBIHMTAE-UHFFFAOYSA-N 1 0 328.460 2.506 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)CCn1cccn1)c1ccc(N2CCOCC2)cc1 ZINC000157663908 728183860 /nfs/dbraw/zinc/18/38/60/728183860.db2.gz INEWCNBHLGBILK-DLBZAZTESA-N 1 0 328.460 2.849 20 10 EFCDRO C[C@H](CCn1cccn1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000157663763 728183888 /nfs/dbraw/zinc/18/38/88/728183888.db2.gz INEWCNBHLGBILK-SJORKVTESA-N 1 0 328.460 2.849 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccccc1O ZINC000183612395 728203542 /nfs/dbraw/zinc/20/35/42/728203542.db2.gz LKDUTTSXBARAJD-CVEARBPZSA-N 1 0 340.423 2.723 20 10 EFCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CN(Cc3ccccc3)CCO1)CC2 ZINC000382418551 728236649 /nfs/dbraw/zinc/23/66/49/728236649.db2.gz AWDTVZCAYPPGBX-OALUTQOASA-N 1 0 338.451 2.870 20 10 EFCDRO COc1cc(N2CC[NH+](C[Si](C)(C)C)CC2)cc(OC)c1OC ZINC000183698951 728261192 /nfs/dbraw/zinc/26/11/92/728261192.db2.gz SGFYORWHGYAYEY-UHFFFAOYSA-N 1 0 338.524 2.712 20 10 EFCDRO CCN(CC)C(=O)C[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000158014965 728274397 /nfs/dbraw/zinc/27/43/97/728274397.db2.gz RFPJPYHQBXFIRJ-UHFFFAOYSA-N 1 0 343.265 2.763 20 10 EFCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000227438013 728333458 /nfs/dbraw/zinc/33/34/58/728333458.db2.gz ACIPFSYDNDRHIB-ZIAGYGMSSA-N 1 0 325.250 2.871 20 10 EFCDRO Cc1ncccc1/C=C1\SC(=S)N(C2CC[NH+](C)CC2)C1=O ZINC000170903655 728493365 /nfs/dbraw/zinc/49/33/65/728493365.db2.gz JDYFCXXGPNLVOG-UVTDQMKNSA-N 1 0 333.482 2.685 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H](OC)C3CC3)CC2)cc1C ZINC000991926586 728606839 /nfs/dbraw/zinc/60/68/39/728606839.db2.gz NWXWEEQFKAIZFP-IBGZPJMESA-N 1 0 346.471 2.509 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000173805609 728636809 /nfs/dbraw/zinc/63/68/09/728636809.db2.gz GJHKYBCBUIYFAD-HKUYNNGSSA-N 1 0 329.488 2.976 20 10 EFCDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000919896629 729108075 /nfs/dbraw/zinc/10/80/75/729108075.db2.gz CYZFTINTQYVMMC-HOTGVXAUSA-N 1 0 332.492 2.672 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+]CCCn2cccn2)ccc1N1CCCCC1 ZINC000920178295 729155083 /nfs/dbraw/zinc/15/50/83/729155083.db2.gz ZZDGRRNXIJVJIS-UHFFFAOYSA-N 1 0 343.431 2.962 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1CC[NH3+] ZINC000324790906 729468240 /nfs/dbraw/zinc/46/82/40/729468240.db2.gz JVEYZZOIPXMNSQ-UHFFFAOYSA-N 1 0 325.456 2.916 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1 ZINC000180170931 729701947 /nfs/dbraw/zinc/70/19/47/729701947.db2.gz IUXHEISYNOOFRA-CQSZACIVSA-N 1 0 334.460 2.775 20 10 EFCDRO CCC[N@H+](CC(=O)NCCOc1ccccc1)Cc1ccccc1O ZINC000069009893 729770517 /nfs/dbraw/zinc/77/05/17/729770517.db2.gz OZJJUJLRCJSHPT-UHFFFAOYSA-N 1 0 342.439 2.799 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3conc3C)C[C@H]2C)cc1C ZINC000939048721 729778253 /nfs/dbraw/zinc/77/82/53/729778253.db2.gz DOAUWEZOLOCDFH-CXAGYDPISA-N 1 0 343.427 2.550 20 10 EFCDRO Cc1cc(Br)cc(C[NH2+]C2(CO)CCSCC2)c1O ZINC000839183173 1099648070 /nfs/dbraw/zinc/64/80/70/1099648070.db2.gz VEHUEESDZSALQN-UHFFFAOYSA-N 1 0 346.290 2.811 20 10 EFCDRO CCOc1cccc(C[NH2+][C@](C)(CO)Cc2ccccc2OC)c1O ZINC000865715745 1126115221 /nfs/dbraw/zinc/11/52/21/1126115221.db2.gz DELSSFNNQAXPRU-FQEVSTJZSA-N 1 0 345.439 2.883 20 10 EFCDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(F)ccc2O)cc1OC ZINC000877831607 1126123454 /nfs/dbraw/zinc/12/34/54/1126123454.db2.gz VKILLYWAHKTTRC-LJQANCHMSA-N 1 0 349.402 2.632 20 10 EFCDRO Cc1cc(CCNC(=O)[C@H]2[NH2+]CC2(C)C)c(C)n1-c1ccccc1 ZINC001574133405 1087953220 /nfs/dbraw/zinc/95/32/20/1087953220.db2.gz CEGGKKPSTAFDAG-GOSISDBHSA-N 1 0 325.456 2.751 20 10 EFCDRO CC(C)c1ncsc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001575871297 1088743549 /nfs/dbraw/zinc/74/35/49/1088743549.db2.gz HKEPGENUPKICGB-AWEZNQCLSA-N 1 0 332.473 2.762 20 10 EFCDRO C[C@H]([NH3+])[C@H]1CN(Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC001576138577 1088956376 /nfs/dbraw/zinc/95/63/76/1088956376.db2.gz IVFIVAWPGJRNGW-HNAYVOBHSA-N 1 0 345.512 2.933 20 10 EFCDRO C[C@@H](NC(=O)c1cc(C2CC[NH2+]CC2)no1)c1ccc(N(C)C)cc1 ZINC001576224885 1089024471 /nfs/dbraw/zinc/02/44/71/1089024471.db2.gz NLWFVUNVJLTXMN-CYBMUJFWSA-N 1 0 342.443 2.699 20 10 EFCDRO C[C@H]1Cc2cc(C[NH2+]C[C@@H](N)c3ccc(N(C)C)cc3)ccc2O1 ZINC001576861171 1089492954 /nfs/dbraw/zinc/49/29/54/1089492954.db2.gz BUSSBAQNZISFDO-IFXJQAMLSA-N 1 0 325.456 2.866 20 10 EFCDRO C[C@H]1[NH2+]CC[C@H]1C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC001576883599 1089504275 /nfs/dbraw/zinc/50/42/75/1089504275.db2.gz WBRRHZFTFHTTGE-DNVCBOLYSA-N 1 0 341.455 2.872 20 10 EFCDRO CN(C)c1ccc(CNC(=O)[C@@]2(c3ccccc3)C[C@H]([NH3+])C2)cc1F ZINC001578425773 1090369043 /nfs/dbraw/zinc/36/90/43/1090369043.db2.gz LYQONNUVMHPJDO-UKIBZPOASA-N 1 0 341.430 2.567 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)/C=C\COc2ccccc2)cc1 ZINC001578424850 1090369269 /nfs/dbraw/zinc/36/92/69/1090369269.db2.gz ZCVDFLLXKRZSRY-QBUQCISBSA-N 1 0 339.439 2.504 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2nc3cc(F)ccc3o2)cc1 ZINC001578424666 1090369425 /nfs/dbraw/zinc/36/94/25/1090369425.db2.gz QRXVRDOLAIZXAB-OAHLLOKOSA-N 1 0 328.391 2.823 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2(C(F)(F)F)CCCC2)cc1 ZINC001578424280 1090369431 /nfs/dbraw/zinc/36/94/31/1090369431.db2.gz COPLEQOAZQIFBO-CQSZACIVSA-N 1 0 343.393 2.991 20 10 EFCDRO CCc1cccc(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c1O ZINC001578532186 1090393551 /nfs/dbraw/zinc/39/35/51/1090393551.db2.gz VMIFBRJEWUXZFH-UHFFFAOYSA-N 1 0 327.363 2.564 20 10 EFCDRO C[NH2+][C@H]1CCN(C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC001578605137 1090408871 /nfs/dbraw/zinc/40/88/71/1090408871.db2.gz ZBDNSNAYZRACFL-SFHVURJKSA-N 1 0 340.471 2.906 20 10 EFCDRO C[NH2+]CCOCCNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001578712385 1090424084 /nfs/dbraw/zinc/42/40/84/1090424084.db2.gz HREIKTXJOAWXBV-UHFFFAOYSA-N 1 0 349.862 2.713 20 10 EFCDRO COC(=O)c1c(CN(C)CC[C@H]([NH3+])C(C)C)c2cc(F)ccc2n1C ZINC001578850249 1090453641 /nfs/dbraw/zinc/45/36/41/1090453641.db2.gz BNYNZTBMAKOOJK-INIZCTEOSA-N 1 0 349.450 2.909 20 10 EFCDRO COc1cccc(C[C@@H]([NH3+])C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC001579273461 1090573350 /nfs/dbraw/zinc/57/33/50/1090573350.db2.gz UPIHSCUAAWOGIE-AUUYWEPGSA-N 1 0 341.455 2.508 20 10 EFCDRO COc1cccc(CNC(=O)[C@H]2CCCCC23CC[NH2+]CC3)c1O ZINC001579278016 1090576370 /nfs/dbraw/zinc/57/63/70/1090576370.db2.gz SDKZDUTXZZFRFV-OAHLLOKOSA-N 1 0 332.444 2.577 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001579589516 1090637408 /nfs/dbraw/zinc/63/74/08/1090637408.db2.gz JONLUICCDOSZFM-CXAGYDPISA-N 1 0 339.439 2.573 20 10 EFCDRO Cc1cc(CC(=O)N[C@@H]2C[NH2+]CC2(C)C)c(C)n1-c1ccccc1 ZINC001579589705 1090638837 /nfs/dbraw/zinc/63/88/37/1090638837.db2.gz NCKXCZDBONCGEW-GOSISDBHSA-N 1 0 325.456 2.751 20 10 EFCDRO Cc1cc(CN2CCC([NH2+]CCO)CC2)ccc1N1CCCCC1 ZINC001579598322 1090640357 /nfs/dbraw/zinc/64/03/57/1090640357.db2.gz PLSDSLXOMLFKJX-UHFFFAOYSA-N 1 0 331.504 2.532 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC001579617973 1090644802 /nfs/dbraw/zinc/64/48/02/1090644802.db2.gz XPAQTOWOESPNAX-FUHWJXTLSA-N 1 0 346.519 2.823 20 10 EFCDRO Cn1nc2c(c1CN1CCCc3cc(C[NH3+])ccc31)CSCC2 ZINC001579998587 1090740603 /nfs/dbraw/zinc/74/06/03/1090740603.db2.gz SAAGESFVLCVSEP-UHFFFAOYSA-N 1 0 328.485 2.621 20 10 EFCDRO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCc1cccc(Br)c1O ZINC001580368205 1090881311 /nfs/dbraw/zinc/88/13/11/1090881311.db2.gz MQJFFIZPDDKHES-WCQYABFASA-N 1 0 341.249 2.679 20 10 EFCDRO O=C([C@H]1C[C@@]12CCC[NH2+]C2)N(Cc1ccco1)Cc1ccccc1O ZINC001580479569 1090913560 /nfs/dbraw/zinc/91/35/60/1090913560.db2.gz VAANAYGUNAHMKH-YLJYHZDGSA-N 1 0 340.423 2.904 20 10 EFCDRO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001580813387 1091017421 /nfs/dbraw/zinc/01/74/21/1091017421.db2.gz VHXGWMTTXLNDOH-KRWDZBQOSA-N 1 0 332.425 2.671 20 10 EFCDRO Oc1cccc(Br)c1CNc1cnc2c(c1)C[NH2+]CC2 ZINC001580887895 1091035588 /nfs/dbraw/zinc/03/55/88/1091035588.db2.gz APUQFYMNFNFMTG-UHFFFAOYSA-N 1 0 334.217 2.808 20 10 EFCDRO Cc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(Cl)c2)c(O)c1 ZINC001581199612 1091091687 /nfs/dbraw/zinc/09/16/87/1091091687.db2.gz QGOVCTMGVHTQKA-UHFFFAOYSA-N 1 0 329.791 2.824 20 10 EFCDRO C[C@H]([NH2+][C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1ccc(N(C)C)cc1 ZINC001589956436 1093193258 /nfs/dbraw/zinc/19/32/58/1093193258.db2.gz OYIFTHORVTVLOL-SCLBCKFNSA-N 1 0 348.454 2.751 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1ccc(N(C)C)cc1 ZINC001589956433 1093193677 /nfs/dbraw/zinc/19/36/77/1093193677.db2.gz OYIFTHORVTVLOL-FZKQIMNGSA-N 1 0 348.454 2.751 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)c1ccc(N(C)C)cc1 ZINC001589968230 1093201054 /nfs/dbraw/zinc/20/10/54/1093201054.db2.gz RBENRNFUVAGQJR-GFCCVEGCSA-N 1 0 340.406 2.923 20 10 EFCDRO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590688172 1093549097 /nfs/dbraw/zinc/54/90/97/1093549097.db2.gz XCULRDPHZYNWCC-ZIAGYGMSSA-N 1 0 346.479 2.733 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1O ZINC001591519927 1093747085 /nfs/dbraw/zinc/74/70/85/1093747085.db2.gz FOHUOSBYKMHLSC-LBPRGKRZSA-N 1 0 339.399 2.740 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1-c1nn[nH]n1 ZINC001591596192 1093785989 /nfs/dbraw/zinc/78/59/89/1093785989.db2.gz HXCKOEXCOPXIML-LBPRGKRZSA-N 1 0 339.399 2.740 20 10 EFCDRO Cc1cc(O)c(C[N@H+](C)Cc2cc(-c3nn[nH]n3)cs2)cc1C ZINC001592055787 1093968882 /nfs/dbraw/zinc/96/88/82/1093968882.db2.gz GFCKTPNRLHDIBE-UHFFFAOYSA-N 1 0 329.429 2.883 20 10 EFCDRO c1cc(-c2nn[nH]n2)ccc1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001593547624 1094357457 /nfs/dbraw/zinc/35/74/57/1094357457.db2.gz PLRAIVDKOXXMEY-UHFFFAOYSA-N 1 0 335.411 2.524 20 10 EFCDRO c1cc(-c2nn[nH]n2)cc2c1[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)CC2 ZINC001593565748 1094372168 /nfs/dbraw/zinc/37/21/68/1094372168.db2.gz VZSGCAOVPXIFBP-SFHVURJKSA-N 1 0 347.422 2.969 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)c2ccn(C)n2)c1O ZINC000839191974 1099654293 /nfs/dbraw/zinc/65/42/93/1099654293.db2.gz RCYHLPUURJODLX-VIFPVBQESA-N 1 0 340.221 2.748 20 10 EFCDRO CCOCCC(=O)N1CCC(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001204765345 1100570456 /nfs/dbraw/zinc/57/04/56/1100570456.db2.gz FAUGMRDCBWYHSA-UHFFFAOYSA-N 1 0 348.487 2.758 20 10 EFCDRO C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000783534649 1101082286 /nfs/dbraw/zinc/08/22/86/1101082286.db2.gz DYJPICNSWYIPJM-RDBSUJKOSA-N 1 0 326.868 2.987 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000840479036 1101090198 /nfs/dbraw/zinc/09/01/98/1101090198.db2.gz LGVPKHMENNJNJB-VQIMIIECSA-N 1 0 346.519 2.728 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOC(=O)Cc2ccccc2)c1 ZINC001642503976 1101217757 /nfs/dbraw/zinc/21/77/57/1101217757.db2.gz DMAKDRLJSGPFBB-AWEZNQCLSA-N 1 0 329.396 2.837 20 10 EFCDRO COc1ccc(N(Cc2ccccc2)C2(C[NH3+])COC2)c(OC)c1F ZINC001167378192 1101317243 /nfs/dbraw/zinc/31/72/43/1101317243.db2.gz GNNSYUBYNLECJS-UHFFFAOYSA-N 1 0 346.402 2.577 20 10 EFCDRO CSc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc(C)n1 ZINC001167423056 1101574589 /nfs/dbraw/zinc/57/45/89/1101574589.db2.gz LMAZVMPOKQFSIE-UHFFFAOYSA-N 1 0 343.500 2.871 20 10 EFCDRO COc1c(Cl)cnnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167426212 1101584149 /nfs/dbraw/zinc/58/41/49/1101584149.db2.gz BVIOIPZKPHOJLY-UHFFFAOYSA-N 1 0 347.850 2.503 20 10 EFCDRO C[NH+](C)Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC001167426895 1101585249 /nfs/dbraw/zinc/58/52/49/1101585249.db2.gz NGBUFKUOLRISEL-UHFFFAOYSA-N 1 0 339.487 2.507 20 10 EFCDRO Cc1c(NCc2ccc(N3CC[NH+](C)CC3)cc2)cnc2nccnc12 ZINC001167431433 1101616031 /nfs/dbraw/zinc/61/60/31/1101616031.db2.gz ZJQKWKIPSPKLQX-UHFFFAOYSA-N 1 0 348.454 2.697 20 10 EFCDRO Cc1ncnc(Cl)c1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167434092 1101659182 /nfs/dbraw/zinc/65/91/82/1101659182.db2.gz BDIRABVXNFHAKA-UHFFFAOYSA-N 1 0 331.851 2.802 20 10 EFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCNC2=O)c1O ZINC000840826208 1101754373 /nfs/dbraw/zinc/75/43/73/1101754373.db2.gz STMVVXQKKFNMIT-MNOVXSKESA-N 1 0 341.249 2.640 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2ccco2)cc1C ZINC001167142550 1101898142 /nfs/dbraw/zinc/89/81/42/1101898142.db2.gz QJXWRBIKXWGMCF-IAGOWNOFSA-N 1 0 342.439 2.996 20 10 EFCDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000588408154 1101989547 /nfs/dbraw/zinc/98/95/47/1101989547.db2.gz XUARGFJYZVYYTL-JHSOUAKNSA-N 1 0 346.471 2.984 20 10 EFCDRO CC(=O)N1CCC[C@H]([N@H+](C)Cc2c(O)cccc2Br)C1 ZINC001140104006 1102135433 /nfs/dbraw/zinc/13/54/33/1102135433.db2.gz YKMDSVCZZLEHCA-LBPRGKRZSA-N 1 0 341.249 2.597 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)C2(C(F)(F)F)CC2)cc1C ZINC001167246189 1102136161 /nfs/dbraw/zinc/13/61/61/1102136161.db2.gz YUHTWGCSMKHNKU-UHFFFAOYSA-N 1 0 344.377 2.942 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)CC[C@H]2CCCCO2)cc1C ZINC001167480174 1102291829 /nfs/dbraw/zinc/29/18/29/1102291829.db2.gz VYWZWXHHZWAGJL-GOSISDBHSA-N 1 0 348.487 2.949 20 10 EFCDRO C[C@@H]([NH2+]Cc1c(Br)cnn1C)c1cc(F)ccc1O ZINC000693441035 1102301182 /nfs/dbraw/zinc/30/11/82/1102301182.db2.gz SBJIAXRSVXKNSV-MRVPVSSYSA-N 1 0 328.185 2.878 20 10 EFCDRO CCC(=O)N1CCC([NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840892958 1102384092 /nfs/dbraw/zinc/38/40/92/1102384092.db2.gz FOIARBRTKLXHBG-INIZCTEOSA-N 1 0 331.504 2.983 20 10 EFCDRO CC[NH+](CC)CCN1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140461905 1102407897 /nfs/dbraw/zinc/40/78/97/1102407897.db2.gz XILGEIOJAHJCMY-UHFFFAOYSA-N 1 0 325.884 2.505 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC000840952552 1102543900 /nfs/dbraw/zinc/54/39/00/1102543900.db2.gz DXEBQGCPKXUYEC-SJLPKXTDSA-N 1 0 328.460 2.804 20 10 EFCDRO O=C(CCc1ccc(O)c(O)c1)N1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001271834286 1102859193 /nfs/dbraw/zinc/85/91/93/1102859193.db2.gz LDEHUBICXVTBIQ-DOTOQJQBSA-N 1 0 344.455 2.506 20 10 EFCDRO C[C@H]1C[C@@H]([NH2+][C@H](c2ccccc2O)[C@H](N)c2ccccc2O)CCO1 ZINC001168094825 1103176920 /nfs/dbraw/zinc/17/69/20/1103176920.db2.gz ZQAWINFNWBXRBR-AFHBHXEDSA-N 1 0 342.439 2.996 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@@H](O)c2cccc(F)c2)N(C)C)cc1 ZINC000905705913 1103518092 /nfs/dbraw/zinc/51/80/92/1103518092.db2.gz SHIKTZDBVALLTL-WOJBJXKFSA-N 1 0 345.462 2.818 20 10 EFCDRO [NH3+]C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C1CCCCC1 ZINC000841831744 1105272558 /nfs/dbraw/zinc/27/25/58/1105272558.db2.gz DJKKAXJQOXYMFX-LJQANCHMSA-N 1 0 342.487 2.770 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3cc[nH]c3)C2)cc1C ZINC000988853669 1105336922 /nfs/dbraw/zinc/33/69/22/1105336922.db2.gz GVGGYJQNHNSTQF-PBHICJAKSA-N 1 0 327.428 2.725 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3cc[nH]c3)C2)cc1C ZINC000988853670 1105336965 /nfs/dbraw/zinc/33/69/65/1105336965.db2.gz GVGGYJQNHNSTQF-RHSMWYFYSA-N 1 0 327.428 2.725 20 10 EFCDRO C[C@H]([NH2+]CCc1cnn(C)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000127822090 1105378951 /nfs/dbraw/zinc/37/89/51/1105378951.db2.gz OIKQRIDPQBEJJO-AWEZNQCLSA-N 1 0 348.878 2.803 20 10 EFCDRO [NH3+]C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C1CCCC1 ZINC000841985384 1106095494 /nfs/dbraw/zinc/09/54/94/1106095494.db2.gz IROSFSSRSZJAHT-KRWDZBQOSA-N 1 0 331.460 2.588 20 10 EFCDRO C[C@H]1C[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC[NH2+]1 ZINC000841983926 1106097483 /nfs/dbraw/zinc/09/74/83/1106097483.db2.gz GIPMXMOGIZVELC-HOCLYGCPSA-N 1 0 330.476 2.567 20 10 EFCDRO CC[NH+](CC)CCCN1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001142524789 1106134953 /nfs/dbraw/zinc/13/49/53/1106134953.db2.gz KWRJOEHLZYBPRD-UHFFFAOYSA-N 1 0 341.446 2.520 20 10 EFCDRO C[C@@H](CCC[NH3+])NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841999130 1106135736 /nfs/dbraw/zinc/13/57/36/1106135736.db2.gz AZLZKJLUHZJXAV-AWEZNQCLSA-N 1 0 331.416 2.824 20 10 EFCDRO C[C@H](Cc1cccnc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000897967533 1106170970 /nfs/dbraw/zinc/17/09/70/1106170970.db2.gz SCWONHSROIOEIP-MRXNPFEDSA-N 1 0 325.456 2.764 20 10 EFCDRO CCOc1ccc(C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)c(O)c1 ZINC000898142802 1106249351 /nfs/dbraw/zinc/24/93/51/1106249351.db2.gz SNONTHODDHVELH-YLJYHZDGSA-N 1 0 327.424 2.826 20 10 EFCDRO CC(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000989838750 1106696218 /nfs/dbraw/zinc/69/62/18/1106696218.db2.gz OJTLQNCXGXFGSE-IUODEOHRSA-N 1 0 331.420 2.698 20 10 EFCDRO CC(C)[NH2+]CC1(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001168419403 1106935285 /nfs/dbraw/zinc/93/52/85/1106935285.db2.gz PCHQSOFTABSFMC-UHFFFAOYSA-N 1 0 331.420 2.747 20 10 EFCDRO CCO[C@H]1C[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000990048627 1107215768 /nfs/dbraw/zinc/21/57/68/1107215768.db2.gz CSYILZKYEQQHKB-HKUYNNGSSA-N 1 0 346.471 2.509 20 10 EFCDRO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000929185057 1107376519 /nfs/dbraw/zinc/37/65/19/1107376519.db2.gz LOTMZWSLVHPDEO-YJBOKZPZSA-N 1 0 334.460 2.543 20 10 EFCDRO C[C@H](F)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001089068303 1107404295 /nfs/dbraw/zinc/40/42/95/1107404295.db2.gz XOKPFWDALISPGT-ZOWXZIJZSA-N 1 0 349.410 2.790 20 10 EFCDRO CC(C)=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001272386306 1108148952 /nfs/dbraw/zinc/14/89/52/1108148952.db2.gz LZOKJBDKLLRKGL-QGZVFWFLSA-N 1 0 344.455 2.782 20 10 EFCDRO CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001272387331 1108152799 /nfs/dbraw/zinc/15/27/99/1108152799.db2.gz XBVNGPYSRZFDQS-INIZCTEOSA-N 1 0 332.444 2.616 20 10 EFCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@@](C)(O)C(F)F)cc2F)C[C@H](C)O1 ZINC000905054937 1108363367 /nfs/dbraw/zinc/36/33/67/1108363367.db2.gz LSDLWQYOWSTCPF-BWACUDIHSA-N 1 0 346.393 2.545 20 10 EFCDRO CN(C)c1ccc(CN2CC[C@@]3(CC[N@H+](CC4CCC4)C3)C2=O)cc1 ZINC001272525033 1108616468 /nfs/dbraw/zinc/61/64/68/1108616468.db2.gz PEHNCCVIQRTDTQ-OAQYLSRUSA-N 1 0 341.499 2.977 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cc[nH]c(=O)c1 ZINC000924713344 1108829256 /nfs/dbraw/zinc/82/92/56/1108829256.db2.gz DDNWRQZLFQKRDL-CYBMUJFWSA-N 1 0 331.391 2.614 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)CN1C1CC1 ZINC000898449696 1108942529 /nfs/dbraw/zinc/94/25/29/1108942529.db2.gz JGAUFPLXWKVVCQ-SYNHAJSKSA-N 1 0 330.520 2.570 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cn3ccccc3n2)N(C)C)cc1 ZINC000898451838 1108942549 /nfs/dbraw/zinc/94/25/49/1108942549.db2.gz OXSJXJKDKMWHDS-LJQANCHMSA-N 1 0 337.471 2.793 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000898449496 1108942582 /nfs/dbraw/zinc/94/25/82/1108942582.db2.gz GTHCDDSGVJNITN-SFHVURJKSA-N 1 0 328.460 2.549 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cc(F)ccc2O)N(C)C)cc1 ZINC000898449777 1108942880 /nfs/dbraw/zinc/94/28/80/1108942880.db2.gz KFYBWWYZDSDYDR-GOSISDBHSA-N 1 0 331.435 2.990 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)CN1C1CC1 ZINC000898449697 1108943163 /nfs/dbraw/zinc/94/31/63/1108943163.db2.gz JGAUFPLXWKVVCQ-WRWLIDTKSA-N 1 0 330.520 2.570 20 10 EFCDRO COCc1ccc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000898449740 1108943273 /nfs/dbraw/zinc/94/32/73/1108943273.db2.gz JRKMDVJZGCAHKT-LJQANCHMSA-N 1 0 331.460 2.885 20 10 EFCDRO COc1ncc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000898450090 1108944044 /nfs/dbraw/zinc/94/40/44/1108944044.db2.gz MZSJJSAIOLQOBV-INIZCTEOSA-N 1 0 334.489 2.610 20 10 EFCDRO CC(C)n1nccc1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450907 1108944093 /nfs/dbraw/zinc/94/40/93/1108944093.db2.gz VNUXXHLGHBSEKD-IBGZPJMESA-N 1 0 329.492 2.923 20 10 EFCDRO COC(=O)c1ccc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000898450233 1108944139 /nfs/dbraw/zinc/94/41/39/1108944139.db2.gz PCBLQAFIJQQXAC-QGZVFWFLSA-N 1 0 345.443 2.525 20 10 EFCDRO CN(C)c1ccc([C@H](CNC2CC[NH+](CC3CC3)CC2)[NH+](C)C)cc1 ZINC000898450876 1108944168 /nfs/dbraw/zinc/94/41/68/1108944168.db2.gz UQAUKWILNDYIMK-NRFANRHFSA-N 1 0 344.547 2.819 20 10 EFCDRO C[C@@H](CCn1cccn1)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898451360 1108945311 /nfs/dbraw/zinc/94/53/11/1108945311.db2.gz YDOBKMKJRROXAJ-QFBILLFUSA-N 1 0 329.492 2.620 20 10 EFCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c1 ZINC000898723621 1109066175 /nfs/dbraw/zinc/06/61/75/1109066175.db2.gz GXVVPZCQNVGGTB-LBPRGKRZSA-N 1 0 336.233 2.764 20 10 EFCDRO CC[C@@H]1CCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101367 1109202193 /nfs/dbraw/zinc/20/21/93/1109202193.db2.gz JTUUNFOETMQLGN-SJLPKXTDSA-N 1 0 332.492 2.939 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@H]2C2CC2)[NH+](C)C)cc1 ZINC000899102545 1109203192 /nfs/dbraw/zinc/20/31/92/1109203192.db2.gz QKSYGFKATYJMGJ-RBUKOAKNSA-N 1 0 344.503 2.939 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C2CC2)C2CC2)[NH+](C)C)cc1 ZINC000899098230 1109206626 /nfs/dbraw/zinc/20/66/26/1109206626.db2.gz MTSXZABMJFNPHN-SFHVURJKSA-N 1 0 330.476 2.692 20 10 EFCDRO C[C@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@H]1C ZINC000899100497 1109207942 /nfs/dbraw/zinc/20/79/42/1109207942.db2.gz AGHQPJBZKZVJNE-RVKKMQEKSA-N 1 0 332.492 2.653 20 10 EFCDRO CC[C@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899100706 1109208095 /nfs/dbraw/zinc/20/80/95/1109208095.db2.gz BUZFNOAXXVZPFN-YJBOKZPZSA-N 1 0 332.492 2.797 20 10 EFCDRO C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@H]1C ZINC000899100495 1109208236 /nfs/dbraw/zinc/20/82/36/1109208236.db2.gz AGHQPJBZKZVJNE-IIDMSEBBSA-N 1 0 332.492 2.653 20 10 EFCDRO C[C@@H](C1CC1)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100839 1109208465 /nfs/dbraw/zinc/20/84/65/1109208465.db2.gz FDABQIXDZQHYSW-KSSFIOAISA-N 1 0 332.492 2.795 20 10 EFCDRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000128497951 1109268696 /nfs/dbraw/zinc/26/86/96/1109268696.db2.gz CFNWGHNKRHQYPZ-AWEZNQCLSA-N 1 0 347.484 2.593 20 10 EFCDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000176577047 1111342197 /nfs/dbraw/zinc/34/21/97/1111342197.db2.gz AMDJHZWSWGHCHH-HZPDHXFCSA-N 1 0 345.487 2.943 20 10 EFCDRO C[NH+]1CC2(C1)CC[NH+](Cc1cc(F)cc(Br)c1[O-])CC2 ZINC001235305734 1111732760 /nfs/dbraw/zinc/73/27/60/1111732760.db2.gz PYUVKSPFJMIRLD-UHFFFAOYSA-N 1 0 343.240 2.821 20 10 EFCDRO COCCCN1CC2(CCC1=O)CC[NH+](Cc1ccccc1O)CC2 ZINC001272619160 1111754377 /nfs/dbraw/zinc/75/43/77/1111754377.db2.gz RWMKNDGCDJKISM-UHFFFAOYSA-N 1 0 346.471 2.633 20 10 EFCDRO COCCCN1CC[C@@]2(CCC[N@H+](Cc3ccccc3O)CC2)C1=O ZINC001272619536 1111755357 /nfs/dbraw/zinc/75/53/57/1111755357.db2.gz WSQPMDNNSIXLMI-FQEVSTJZSA-N 1 0 346.471 2.633 20 10 EFCDRO CC(=O)[C@H](C)N1CC[C@]2(CCC[N@H+](Cc3ccccc3O)CC2)C1=O ZINC001272619740 1111755479 /nfs/dbraw/zinc/75/54/79/1111755479.db2.gz ZAZWOIRPLFRDGZ-MGPUTAFESA-N 1 0 344.455 2.574 20 10 EFCDRO CCOCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C)ccc1O ZINC001272622336 1111758909 /nfs/dbraw/zinc/75/89/09/1111758909.db2.gz DZTSOWOVDPULLR-FQEVSTJZSA-N 1 0 346.471 2.694 20 10 EFCDRO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(OC)c1O ZINC001272622509 1111759808 /nfs/dbraw/zinc/75/98/08/1111759808.db2.gz MIPSKGJVYIZQOY-FVQBIDKESA-N 1 0 332.444 2.765 20 10 EFCDRO CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(C)ccc1O)C2 ZINC001272623218 1111760555 /nfs/dbraw/zinc/76/05/55/1111760555.db2.gz XWWQWEIXEDAWAG-OXJNMPFZSA-N 1 0 346.471 2.550 20 10 EFCDRO CCCCN1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(C)ccc3O)C2)C1=O ZINC001272623017 1111761072 /nfs/dbraw/zinc/76/10/72/1111761072.db2.gz VCTLTELUYGFABS-HXUWFJFHSA-N 1 0 344.455 2.842 20 10 EFCDRO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C)ccc1O ZINC001272623137 1111761939 /nfs/dbraw/zinc/76/19/39/1111761939.db2.gz XPRCOJXJGLYXKH-QRWLVFNGSA-N 1 0 344.455 2.635 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@]3(CCN(CC(C)C)C3=O)C2)c1O ZINC001272625821 1111766910 /nfs/dbraw/zinc/76/69/10/1111766910.db2.gz OPWUASDFRIULLA-FQEVSTJZSA-N 1 0 346.471 2.871 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@]3(CCN(C4CCCC4)C3=O)C2)c1O ZINC001272626461 1111768750 /nfs/dbraw/zinc/76/87/50/1111768750.db2.gz YBRSOJIMFCOICR-FQEVSTJZSA-N 1 0 344.455 2.768 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2CC[NH2+][C@H](C(C)C)C2)c1 ZINC001235475681 1111781813 /nfs/dbraw/zinc/78/18/13/1111781813.db2.gz WBNSDIAVYNDLBF-AWEZNQCLSA-N 1 0 327.266 2.893 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(C)C)c1 ZINC001272638296 1111793967 /nfs/dbraw/zinc/79/39/67/1111793967.db2.gz REXDCAIXHXHMGB-IAGOWNOFSA-N 1 0 332.444 2.622 20 10 EFCDRO O=C1N(CC(F)F)CC[C@]12CC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001272638383 1111796274 /nfs/dbraw/zinc/79/62/74/1111796274.db2.gz SAJYYDHXDLLEJC-INIZCTEOSA-N 1 0 344.789 2.735 20 10 EFCDRO CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(OC)ccc1O ZINC001272639231 1111798864 /nfs/dbraw/zinc/79/88/64/1111798864.db2.gz XLQZPLIEKLFCQM-IAGOWNOFSA-N 1 0 332.444 2.766 20 10 EFCDRO Cc1c(O)ccc(C[N@H+]2CCC[C@@]23CCN(CC(C)C)C3=O)c1O ZINC001272659792 1111943823 /nfs/dbraw/zinc/94/38/23/1111943823.db2.gz FTOJAFIUGYUXLL-IBGZPJMESA-N 1 0 332.444 2.629 20 10 EFCDRO CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(O)c(C)c2O)C1=O ZINC001272659938 1111945928 /nfs/dbraw/zinc/94/59/28/1111945928.db2.gz HVOMVPSFQQGRPL-IBGZPJMESA-N 1 0 332.444 2.773 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(C(=O)NCCNc2cc[nH+]cc2)cc1 ZINC000916733343 1111977124 /nfs/dbraw/zinc/97/71/24/1111977124.db2.gz GFJFUPXPLMHUJG-UHFFFAOYSA-N 1 0 334.423 2.753 20 10 EFCDRO CCC[C@@H]1C[NH2+]CCN1Cc1c(O)cc(OC)cc1Br ZINC001236132740 1112168262 /nfs/dbraw/zinc/16/82/62/1112168262.db2.gz MYNNTNLVEODHKH-LLVKDONJSA-N 1 0 343.265 2.737 20 10 EFCDRO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(F)ccc1O ZINC000180141723 1112879054 /nfs/dbraw/zinc/87/90/54/1112879054.db2.gz HLJQQMVWVRSTLJ-UHFFFAOYSA-N 1 0 333.359 2.909 20 10 EFCDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(F)ccc3O)C2)nc1 ZINC000180178165 1112890767 /nfs/dbraw/zinc/89/07/67/1112890767.db2.gz PZPQWKVKPVATFJ-ZDUSSCGKSA-N 1 0 332.335 2.521 20 10 EFCDRO C[C@H]1C[C@H]1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1ccc(N(C)C)cc1 ZINC001272699301 1118278789 /nfs/dbraw/zinc/27/87/89/1118278789.db2.gz GBFANGJASQSWBZ-SMMRIJLZSA-N 1 0 341.499 2.974 20 10 EFCDRO COc1cc(C[NH+]2CCC(C)(c3nc(C)no3)CC2)c(O)cc1C ZINC000781151239 1118970126 /nfs/dbraw/zinc/97/01/26/1118970126.db2.gz ZBUPRGPMKLLMRI-UHFFFAOYSA-N 1 0 331.416 2.954 20 10 EFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccccc3O)c2)CC1 ZINC000184264683 1118988380 /nfs/dbraw/zinc/98/83/80/1118988380.db2.gz QRCOCAJJNLYAJI-UHFFFAOYSA-N 1 0 325.412 2.786 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCO3)CC2(C)C)cc1C ZINC000995420917 1119799347 /nfs/dbraw/zinc/79/93/47/1119799347.db2.gz WSNGXCHCSZEWCA-QZTJIDSGSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)CSC)CC2(C)C)cc1C ZINC000995423029 1119817595 /nfs/dbraw/zinc/81/75/95/1119817595.db2.gz CAGQLTRVDTVXEX-INIZCTEOSA-N 1 0 336.501 2.693 20 10 EFCDRO COc1cccc(C[NH+]2CCN(c3nccc(C(C)C)n3)CC2)c1O ZINC000185655879 1120404349 /nfs/dbraw/zinc/40/43/49/1120404349.db2.gz AZKJGZBFHDPHEP-UHFFFAOYSA-N 1 0 342.443 2.636 20 10 EFCDRO C[C@H]1C[N@H+](CCCF)CC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945219930 1120678571 /nfs/dbraw/zinc/67/85/71/1120678571.db2.gz DQRCOSKGIJEBOW-WFASDCNBSA-N 1 0 349.410 2.649 20 10 EFCDRO C[C@H]1C[N@H+](CC2CC2)CC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945223765 1120682392 /nfs/dbraw/zinc/68/23/92/1120682392.db2.gz QEYOOODLQRKDOW-BLLLJJGKSA-N 1 0 343.431 2.699 20 10 EFCDRO C[C@@H]1C[N@H+](CC2CC2)CC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945223768 1120682463 /nfs/dbraw/zinc/68/24/63/1120682463.db2.gz QEYOOODLQRKDOW-MLGOLLRUSA-N 1 0 343.431 2.699 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC000945227313 1120685326 /nfs/dbraw/zinc/68/53/26/1120685326.db2.gz XYHGHZFZFXMQQO-BBRMVZONSA-N 1 0 345.447 2.945 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NC3CC[NH+](C)CC3)c2C)cc1 ZINC000098081718 219080432 /nfs/dbraw/zinc/08/04/32/219080432.db2.gz QAEAZLDBNKMBTJ-UHFFFAOYSA-N 1 0 341.455 2.927 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000176636985 529779970 /nfs/dbraw/zinc/77/99/70/529779970.db2.gz DVQHDCNPXDKUQA-SJLPKXTDSA-N 1 0 332.492 2.767 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000179061798 529782225 /nfs/dbraw/zinc/78/22/25/529782225.db2.gz VHPRVSPBXRBWBZ-LJQANCHMSA-N 1 0 337.467 2.891 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c(C(F)(F)F)c1 ZINC000280280588 282290306 /nfs/dbraw/zinc/29/03/06/282290306.db2.gz LSIBZKGBDSMFFS-KBPBESRZSA-N 1 0 346.393 2.506 20 10 EFCDRO CN1CCC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000177386465 530050437 /nfs/dbraw/zinc/05/04/37/530050437.db2.gz PZAGLGBILDXDBH-HNNXBMFYSA-N 1 0 339.430 2.941 20 10 EFCDRO C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C1=CC[N@H+](C)CC1 ZINC000272759801 299165782 /nfs/dbraw/zinc/16/57/82/299165782.db2.gz OQZGLMODROAAKX-INIZCTEOSA-N 1 0 340.471 2.512 20 10 EFCDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000036795156 213118677 /nfs/dbraw/zinc/11/86/77/213118677.db2.gz YOKBRALBZPEXME-SKDRFNHKSA-N 1 0 329.238 2.720 20 10 EFCDRO CCC[NH2+][C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000296371200 283396801 /nfs/dbraw/zinc/39/68/01/283396801.db2.gz JYIARCAAUZMIOO-APWZRJJASA-N 1 0 347.503 2.648 20 10 EFCDRO Cc1cc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C)n1-c1ccccn1 ZINC000262582368 240361468 /nfs/dbraw/zinc/36/14/68/240361468.db2.gz MTLRFLYEYBVARP-GDBMZVCRSA-N 1 0 326.444 2.689 20 10 EFCDRO Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c(C)n1-c1ccccn1 ZINC000262739201 240365297 /nfs/dbraw/zinc/36/52/97/240365297.db2.gz HQYDAFSXEHZBOZ-RHSMWYFYSA-N 1 0 326.444 2.831 20 10 EFCDRO C[NH+](C)CCCOc1cccc(NC(=O)Cc2ccc(N)cc2)c1 ZINC000168763685 239126600 /nfs/dbraw/zinc/12/66/00/239126600.db2.gz RTXRXMPXXOEPAF-UHFFFAOYSA-N 1 0 327.428 2.781 20 10 EFCDRO COC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163415046 239105650 /nfs/dbraw/zinc/10/56/50/239105650.db2.gz USEJPWGLSAYAKB-GFCCVEGCSA-N 1 0 332.366 2.667 20 10 EFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](C)C(C)C)CC2)cc1 ZINC000171914055 239162213 /nfs/dbraw/zinc/16/22/13/239162213.db2.gz SFXYXOWBJWCZRB-QGZVFWFLSA-N 1 0 347.503 2.616 20 10 EFCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000173371085 239188784 /nfs/dbraw/zinc/18/87/84/239188784.db2.gz IFJSLJOFBGSABT-KRWDZBQOSA-N 1 0 326.440 2.842 20 10 EFCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000172935495 239176694 /nfs/dbraw/zinc/17/66/94/239176694.db2.gz JLNPPQCQTQDAJL-MRXNPFEDSA-N 1 0 326.440 2.700 20 10 EFCDRO Cn1cncc1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174622464 239235794 /nfs/dbraw/zinc/23/57/94/239235794.db2.gz NLJZYQWLNCBFAJ-CYBMUJFWSA-N 1 0 336.386 2.780 20 10 EFCDRO Cn1cc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000174621678 239236047 /nfs/dbraw/zinc/23/60/47/239236047.db2.gz JCMSKFHAIUIOAQ-AWEZNQCLSA-N 1 0 336.386 2.780 20 10 EFCDRO Cc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)n1-c1ccccn1 ZINC000177183968 239362333 /nfs/dbraw/zinc/36/23/33/239362333.db2.gz MSJVUTJOPOCVGY-CZUORRHYSA-N 1 0 338.455 2.844 20 10 EFCDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cccc(O)c1O ZINC000187046016 239685876 /nfs/dbraw/zinc/68/58/76/239685876.db2.gz DIHXVWATWSLHOX-UHFFFAOYSA-N 1 0 346.452 2.801 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000188016051 239748568 /nfs/dbraw/zinc/74/85/68/239748568.db2.gz SNAOENXFYOKKJC-RKVPGOIHSA-N 1 0 336.451 2.864 20 10 EFCDRO C[C@H](O)[C@](C)(C[NH2+]Cc1cc2c(cc1O)OCO2)Cc1ccccc1 ZINC000191709343 240002197 /nfs/dbraw/zinc/00/21/97/240002197.db2.gz KLBIWXMWGHSFBY-XOBRGWDASA-N 1 0 343.423 2.840 20 10 EFCDRO C[C@H](O)[C@@](C)(C[NH2+]Cc1cc2c(cc1O)OCO2)Cc1ccccc1 ZINC000191709372 240002913 /nfs/dbraw/zinc/00/29/13/240002913.db2.gz KLBIWXMWGHSFBY-VBKZILBWSA-N 1 0 343.423 2.840 20 10 EFCDRO C[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCS1 ZINC000192169483 240027955 /nfs/dbraw/zinc/02/79/55/240027955.db2.gz MTYYCJXWWCLRSN-HNNXBMFYSA-N 1 0 335.517 2.538 20 10 EFCDRO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)C2=O)cc1 ZINC000191809195 240008727 /nfs/dbraw/zinc/00/87/27/240008727.db2.gz WCMVOHJGBWIBHT-LJQANCHMSA-N 1 0 336.435 2.821 20 10 EFCDRO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(F)ccc3O)C2=O)cc1 ZINC000191808724 240009429 /nfs/dbraw/zinc/00/94/29/240009429.db2.gz CKZLICVJWFMKCU-QGZVFWFLSA-N 1 0 328.387 2.730 20 10 EFCDRO CCOc1cccc(C[NH2+][C@@](C)(CC(=O)OC)c2ccncc2)c1O ZINC000191905566 240010826 /nfs/dbraw/zinc/01/08/26/240010826.db2.gz ZLAIWDNEKDARED-IBGZPJMESA-N 1 0 344.411 2.754 20 10 EFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000192507036 240049175 /nfs/dbraw/zinc/04/91/75/240049175.db2.gz BCMRNZBTEPKTRN-GASCZTMLSA-N 1 0 329.469 2.789 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000193504465 240111002 /nfs/dbraw/zinc/11/10/02/240111002.db2.gz JLBBSRZFVFHAPW-RYUDHWBXSA-N 1 0 332.366 2.936 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000193504480 240112038 /nfs/dbraw/zinc/11/20/38/240112038.db2.gz JLBBSRZFVFHAPW-NEPJUHHUSA-N 1 0 332.366 2.936 20 10 EFCDRO CN(C(=O)c1cccc(O)c1O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000193118291 240087380 /nfs/dbraw/zinc/08/73/80/240087380.db2.gz AWAMQRGMUXOSJP-INIZCTEOSA-N 1 0 340.423 2.834 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)CC[C@@H](C)[NH3+] ZINC000193284916 240092591 /nfs/dbraw/zinc/09/25/91/240092591.db2.gz QIHVVECRGJCDIW-SNVBAGLBSA-N 1 0 329.238 2.631 20 10 EFCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)c1 ZINC000237361362 240244471 /nfs/dbraw/zinc/24/44/71/240244471.db2.gz MHZASWHYAQXOMQ-UHFFFAOYSA-N 1 0 326.396 2.817 20 10 EFCDRO COc1ccc([C@@H](C[NH2+]Cc2ccccc2O)N2CCOCC2)cc1 ZINC000237498744 240244501 /nfs/dbraw/zinc/24/45/01/240244501.db2.gz YXHBYRNZTKVZEU-LJQANCHMSA-N 1 0 342.439 2.564 20 10 EFCDRO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000237567897 240245614 /nfs/dbraw/zinc/24/56/14/240245614.db2.gz UHUAYPXFHPSREA-UZLBHIALSA-N 1 0 337.467 2.981 20 10 EFCDRO Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)c(C)n1-c1ccc(F)cc1 ZINC000237738382 240247074 /nfs/dbraw/zinc/24/70/74/240247074.db2.gz IOHFGUAGQZAFER-OAHLLOKOSA-N 1 0 329.419 2.963 20 10 EFCDRO CCc1ccc([C@@H](CNC(=O)Cc2ccc(N)cc2)[NH+](C)C)cc1 ZINC000236959197 240237305 /nfs/dbraw/zinc/23/73/05/240237305.db2.gz VXIZFQWUYTUXJY-LJQANCHMSA-N 1 0 325.456 2.793 20 10 EFCDRO O=C(NCc1ccccc1O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000263744859 240387722 /nfs/dbraw/zinc/38/77/22/240387722.db2.gz OVLFCXCDHBROBM-UHFFFAOYSA-N 1 0 331.460 2.846 20 10 EFCDRO Cc1cc(C(=O)N2CCC3(CC[NH2+]C3)CC2)c(C)n1-c1ccccn1 ZINC000261661838 240316892 /nfs/dbraw/zinc/31/68/92/240316892.db2.gz CEMJUQUYJKIDEW-UHFFFAOYSA-N 1 0 338.455 2.705 20 10 EFCDRO C[NH2+][C@H]1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 ZINC000269118539 240566264 /nfs/dbraw/zinc/56/62/64/240566264.db2.gz IKCSXFSCPHHLND-HNNXBMFYSA-N 1 0 327.428 2.537 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000271871326 240640493 /nfs/dbraw/zinc/64/04/93/240640493.db2.gz XTMCQUFWQRIHGF-OAHLLOKOSA-N 1 0 326.396 2.575 20 10 EFCDRO Cc1cc(C(=O)N2CCC[C@@H](CC[NH3+])C2)c(C)n1-c1ccccn1 ZINC000281908188 240961040 /nfs/dbraw/zinc/96/10/40/240961040.db2.gz IMYZEOPIRAHDQK-INIZCTEOSA-N 1 0 326.444 2.690 20 10 EFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1O ZINC000291638669 241025704 /nfs/dbraw/zinc/02/57/04/241025704.db2.gz DPVFJZUYJHIXJJ-HXUWFJFHSA-N 1 0 343.398 2.870 20 10 EFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1 ZINC000291624252 241026844 /nfs/dbraw/zinc/02/68/44/241026844.db2.gz RUUVGLOVZKAFHI-GFCCVEGCSA-N 1 0 330.350 2.591 20 10 EFCDRO C[C@H]1[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCS1(=O)=O ZINC000294063314 241031442 /nfs/dbraw/zinc/03/14/42/241031442.db2.gz XXUBEXWQTKZRSX-GUYCJALGSA-N 1 0 331.437 2.724 20 10 EFCDRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccccc1O ZINC000295970937 241068615 /nfs/dbraw/zinc/06/86/15/241068615.db2.gz NUXPZFKHYNSVLL-UONOGXRCSA-N 1 0 336.432 2.679 20 10 EFCDRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccccc1O ZINC000295970933 241069918 /nfs/dbraw/zinc/06/99/18/241069918.db2.gz NUXPZFKHYNSVLL-KGLIPLIRSA-N 1 0 336.432 2.679 20 10 EFCDRO CS(=O)(=O)Nc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000295944950 241070663 /nfs/dbraw/zinc/07/06/63/241070663.db2.gz LDOLVNRMOTUUKD-HNNXBMFYSA-N 1 0 332.425 2.541 20 10 EFCDRO COc1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)ccc1OCCO ZINC000296113827 241073441 /nfs/dbraw/zinc/07/34/41/241073441.db2.gz UWZHWXBNTIADLW-OAHLLOKOSA-N 1 0 329.396 2.549 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1 ZINC000296631352 241092143 /nfs/dbraw/zinc/09/21/43/241092143.db2.gz BJEYDVFSDFGYBA-WLYUNCDWSA-N 1 0 325.474 2.955 20 10 EFCDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296638451 241095301 /nfs/dbraw/zinc/09/53/01/241095301.db2.gz CHNUNPARQJVJAU-RDTXWAMCSA-N 1 0 343.496 2.999 20 10 EFCDRO O=C1[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCN1c1ccccc1F ZINC000297082974 241111463 /nfs/dbraw/zinc/11/14/63/241111463.db2.gz WWBVPYGQISRGOT-CABCVRRESA-N 1 0 326.371 2.914 20 10 EFCDRO O=C1[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CCN1c1ccccc1F ZINC000297082978 241111669 /nfs/dbraw/zinc/11/16/69/241111669.db2.gz WWBVPYGQISRGOT-GJZGRUSLSA-N 1 0 326.371 2.914 20 10 EFCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c(O)c1 ZINC000294262541 241038593 /nfs/dbraw/zinc/03/85/93/241038593.db2.gz LMFLFSWPIPCJTE-ZFWWWQNUSA-N 1 0 346.393 2.923 20 10 EFCDRO Cc1cc(C[NH2+][C@]2(CO)CCOc3ccccc32)ccc1N(C)C ZINC000294362441 241044817 /nfs/dbraw/zinc/04/48/17/241044817.db2.gz ZYTIZQBPMFOUGQ-FQEVSTJZSA-N 1 0 326.440 2.821 20 10 EFCDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3cccc(C)c3O)CC2)c1 ZINC000294721955 241050503 /nfs/dbraw/zinc/05/05/03/241050503.db2.gz FOIWHENZIQGUMN-UHFFFAOYSA-N 1 0 343.427 2.911 20 10 EFCDRO COC[C@@H](O)CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295565036 241056228 /nfs/dbraw/zinc/05/62/28/241056228.db2.gz ZMOABSKONCTWCA-KRWDZBQOSA-N 1 0 334.485 2.872 20 10 EFCDRO COC[C@H](O)CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295565039 241056785 /nfs/dbraw/zinc/05/67/85/241056785.db2.gz ZMOABSKONCTWCA-QGZVFWFLSA-N 1 0 334.485 2.872 20 10 EFCDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000295776054 241061621 /nfs/dbraw/zinc/06/16/21/241061621.db2.gz APXGLVRPHFAVMJ-RDJZCZTQSA-N 1 0 329.396 2.720 20 10 EFCDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000295776052 241062569 /nfs/dbraw/zinc/06/25/69/241062569.db2.gz APXGLVRPHFAVMJ-NVXWUHKLSA-N 1 0 329.396 2.720 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000298697270 241155040 /nfs/dbraw/zinc/15/50/40/241155040.db2.gz CVDJLDQFOJZEOX-MSOLQXFVSA-N 1 0 330.476 2.521 20 10 EFCDRO Cc1cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c(C)n1-c1ccccn1 ZINC000299286289 241169853 /nfs/dbraw/zinc/16/98/53/241169853.db2.gz NUNMFPCBJMEWCI-OAHLLOKOSA-N 1 0 340.471 2.951 20 10 EFCDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299388055 241175097 /nfs/dbraw/zinc/17/50/97/241175097.db2.gz RIAAITKAMWEJJQ-OALUTQOASA-N 1 0 347.503 2.552 20 10 EFCDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCc2ccccc2O)C1 ZINC000299512043 241179046 /nfs/dbraw/zinc/17/90/46/241179046.db2.gz ODLQQMFWJMYNOP-HOTGVXAUSA-N 1 0 333.476 2.950 20 10 EFCDRO Oc1cccc2c1[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)CC2 ZINC000297744212 241132571 /nfs/dbraw/zinc/13/25/71/241132571.db2.gz OBPRJUJUAZFJGH-NSHDSACASA-N 1 0 338.333 2.890 20 10 EFCDRO Cc1cccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)c1O ZINC000362042059 242240691 /nfs/dbraw/zinc/24/06/91/242240691.db2.gz SYZGMLOCHJASPA-CEXWTWQISA-N 1 0 336.435 2.947 20 10 EFCDRO Cc1cc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000363036904 242270860 /nfs/dbraw/zinc/27/08/60/242270860.db2.gz SYEXVZAZWLBFHH-QGZVFWFLSA-N 1 0 338.455 2.799 20 10 EFCDRO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000367219738 242377253 /nfs/dbraw/zinc/37/72/53/242377253.db2.gz XZRHIWOOIRKKHK-OAHLLOKOSA-N 1 0 337.851 2.815 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c1O ZINC000367659755 242388173 /nfs/dbraw/zinc/38/81/73/242388173.db2.gz WUNQIXOBTJYHLS-SUMWQHHRSA-N 1 0 335.787 2.638 20 10 EFCDRO CC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@H](O)C(F)(F)F ZINC000378405920 242528710 /nfs/dbraw/zinc/52/87/10/242528710.db2.gz SOKSORNVDYOBLP-HOTGVXAUSA-N 1 0 346.393 2.955 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cccc(F)c2)[NH+](C)C)cc1 ZINC000005097721 210389760 /nfs/dbraw/zinc/38/97/60/210389760.db2.gz AVRODSLYSRIMAQ-SFHVURJKSA-N 1 0 329.419 2.924 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)COc2ccccc2)[NH+](C)C)cc1 ZINC000005097672 210389903 /nfs/dbraw/zinc/38/99/03/210389903.db2.gz SLGGTDDRUQEIQR-IBGZPJMESA-N 1 0 341.455 2.551 20 10 EFCDRO C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H]([NH3+])c1ccccc1 ZINC000166459189 533281942 /nfs/dbraw/zinc/28/19/42/533281942.db2.gz JVKNQUJAJGAHLO-ACJLOTCBSA-N 1 0 329.419 2.844 20 10 EFCDRO COc1cccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000172536799 533475179 /nfs/dbraw/zinc/47/51/79/533475179.db2.gz ITUUQCIXJKRMKT-KRWDZBQOSA-N 1 0 328.412 2.977 20 10 EFCDRO C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184900308 287024940 /nfs/dbraw/zinc/02/49/40/287024940.db2.gz NXDYIWKMYPOWDC-GFCCVEGCSA-N 1 0 346.302 2.987 20 10 EFCDRO C[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1cc(F)ccc1O ZINC000184986641 287041605 /nfs/dbraw/zinc/04/16/05/287041605.db2.gz SEOVDFYHTFURLM-CYBMUJFWSA-N 1 0 331.391 2.614 20 10 EFCDRO COc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000085795060 544512993 /nfs/dbraw/zinc/51/29/93/544512993.db2.gz ALTRSJTWHQRYOP-KRWDZBQOSA-N 1 0 328.412 2.977 20 10 EFCDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Cc3ccc(N)cc3)C2)CC1 ZINC000166435672 276198844 /nfs/dbraw/zinc/19/88/44/276198844.db2.gz QHCLGFHMNLBKQI-GOSISDBHSA-N 1 0 329.488 2.782 20 10 EFCDRO C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(N2CCCCCC2)cc1 ZINC000268908161 278355195 /nfs/dbraw/zinc/35/51/95/278355195.db2.gz MGMUQTUYROGGTM-NQIIRXRSSA-N 1 0 344.547 2.963 20 10 EFCDRO CC[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccccc1O ZINC000285859331 288044007 /nfs/dbraw/zinc/04/40/07/288044007.db2.gz ZOHXNJFZAHBLNR-DZGCQCFKSA-N 1 0 332.366 2.696 20 10 EFCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000423090477 278613029 /nfs/dbraw/zinc/61/30/29/278613029.db2.gz XRUGXYUMEBCSPE-RCCFBDPRSA-N 1 0 327.472 2.733 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc(N(C)C)cc1 ZINC000324288014 279538552 /nfs/dbraw/zinc/53/85/52/279538552.db2.gz MPLZNJKHRDVFPQ-KSSFIOAISA-N 1 0 328.460 2.670 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000072953552 289408865 /nfs/dbraw/zinc/40/88/65/289408865.db2.gz KXCRKSFNXCAEAD-NRFANRHFSA-N 1 0 339.483 2.916 20 10 EFCDRO COc1cc([N+](=O)[O-])c(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1OC ZINC000292288023 295027133 /nfs/dbraw/zinc/02/71/33/295027133.db2.gz MVBBLGAGDYRYCR-CYBMUJFWSA-N 1 0 349.431 2.923 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1F ZINC000137987798 473214646 /nfs/dbraw/zinc/21/46/46/473214646.db2.gz YIZWWKITFNBGJH-RDJZCZTQSA-N 1 0 348.466 2.517 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1F ZINC000137987902 473214799 /nfs/dbraw/zinc/21/47/99/473214799.db2.gz YIZWWKITFNBGJH-WBVHZDCISA-N 1 0 348.466 2.517 20 10 EFCDRO CC[N@H+](CCC1OCCO1)Cc1cc(Br)ccc1O ZINC000124494295 473252975 /nfs/dbraw/zinc/25/29/75/473252975.db2.gz DFOUVIKBDGSBBN-UHFFFAOYSA-N 1 0 330.222 2.740 20 10 EFCDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000190425972 473270308 /nfs/dbraw/zinc/27/03/08/473270308.db2.gz UHCSXRAGCOLYQY-ROUUACIJSA-N 1 0 328.460 2.979 20 10 EFCDRO CC(C)NC(=O)CC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000184981567 473290229 /nfs/dbraw/zinc/29/02/29/473290229.db2.gz CUFDNUWLNZMZIR-SNVBAGLBSA-N 1 0 329.238 2.720 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CCOCC2)c(O)c1 ZINC000184986451 473291806 /nfs/dbraw/zinc/29/18/06/473291806.db2.gz BMGDVWKVLGSCTF-OAHLLOKOSA-N 1 0 327.428 2.783 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)c2ccccc2F)c1 ZINC000185100065 473327401 /nfs/dbraw/zinc/32/74/01/473327401.db2.gz FSOBRFUDXLBVSB-GFCCVEGCSA-N 1 0 332.375 2.621 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000185164366 473347785 /nfs/dbraw/zinc/34/77/85/473347785.db2.gz LHUSUFSQHUVJQB-KGLIPLIRSA-N 1 0 326.396 2.857 20 10 EFCDRO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000185201752 473361818 /nfs/dbraw/zinc/36/18/18/473361818.db2.gz JPWBABAHNQHMHJ-LBPRGKRZSA-N 1 0 332.375 2.621 20 10 EFCDRO CC[C@H]([NH2+]CC(C)(C)C(N)=O)c1cc(Br)ccc1O ZINC000185214083 473364746 /nfs/dbraw/zinc/36/47/46/473364746.db2.gz KAMXGJSSFRKESA-NSHDSACASA-N 1 0 329.238 2.707 20 10 EFCDRO COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC000005097650 471486742 /nfs/dbraw/zinc/48/67/42/471486742.db2.gz VSUILZIMXLRPFM-LJQANCHMSA-N 1 0 341.455 2.794 20 10 biogenic EFCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000054510147 472094108 /nfs/dbraw/zinc/09/41/08/472094108.db2.gz LMPJLLIKXAENGA-KRWDZBQOSA-N 1 0 332.492 2.626 20 10 EFCDRO COc1ccc(N2CC[NH+](CCCCCn3cccn3)CC2)cc1 ZINC000068455375 472194473 /nfs/dbraw/zinc/19/44/73/472194473.db2.gz SAUCYZHFABZPLO-UHFFFAOYSA-N 1 0 328.460 2.884 20 10 EFCDRO COc1cccc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)c1O ZINC000075956635 472227207 /nfs/dbraw/zinc/22/72/07/472227207.db2.gz SFSFTPCGNCSDAA-UHFFFAOYSA-N 1 0 329.400 2.784 20 10 EFCDRO Oc1cc2c(cc1CN1CC[NH+](CCc3cccs3)CC1)OCO2 ZINC000057104419 472382375 /nfs/dbraw/zinc/38/23/75/472382375.db2.gz ICYBSLFJAHJVIK-UHFFFAOYSA-N 1 0 346.452 2.543 20 10 EFCDRO CN(C)c1ccc(CN2CCC[C@@H]2C(=O)NCc2ccco2)cc1F ZINC000128176753 472413479 /nfs/dbraw/zinc/41/34/79/472413479.db2.gz QUBDORVYYLJWAH-GOSISDBHSA-N 1 0 345.418 2.766 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000089619099 472470861 /nfs/dbraw/zinc/47/08/61/472470861.db2.gz NDBPRYAHRJROPM-RISCZKNCSA-N 1 0 329.366 2.566 20 10 EFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H](O)COC)cc1 ZINC000117946983 472483921 /nfs/dbraw/zinc/48/39/21/472483921.db2.gz HKGYSRHRGLRHJM-HXUWFJFHSA-N 1 0 328.456 2.810 20 10 EFCDRO CC[C@H]([NH2+]CCCNC(C)=O)c1cc(Br)ccc1O ZINC000154990947 472494599 /nfs/dbraw/zinc/49/45/99/472494599.db2.gz HJLBKHPZJQTFNF-ZDUSSCGKSA-N 1 0 329.238 2.722 20 10 EFCDRO C[C@H]1SCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1C ZINC000118533869 472498137 /nfs/dbraw/zinc/49/81/37/472498137.db2.gz RUVCCAXCIAVGAT-HUUCEWRRSA-N 1 0 335.517 2.537 20 10 EFCDRO c1cnn(-c2ccccc2C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000128921578 472510924 /nfs/dbraw/zinc/51/09/24/472510924.db2.gz XVOBGHKZUBVUEL-UHFFFAOYSA-N 1 0 348.450 2.999 20 10 EFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1O ZINC000119294777 472543164 /nfs/dbraw/zinc/54/31/64/472543164.db2.gz MKLDVSRRBGKIQM-CYBMUJFWSA-N 1 0 348.834 2.752 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[N@H+](CC)C1CC1 ZINC000102068292 472564710 /nfs/dbraw/zinc/56/47/10/472564710.db2.gz MIQHISBGSYWOPH-UHFFFAOYSA-N 1 0 332.492 2.768 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000129802090 472566914 /nfs/dbraw/zinc/56/69/14/472566914.db2.gz RSYMLKJPADKPOH-UHFFFAOYSA-N 1 0 331.504 2.829 20 10 EFCDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000120024230 472618935 /nfs/dbraw/zinc/61/89/35/472618935.db2.gz NMMMYKMFEANDIQ-AWEZNQCLSA-N 1 0 328.412 2.676 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c1 ZINC000155972474 472648807 /nfs/dbraw/zinc/64/88/07/472648807.db2.gz APKGLAWEOVMGOQ-UHFFFAOYSA-N 1 0 329.396 2.976 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000131145843 472652692 /nfs/dbraw/zinc/65/26/92/472652692.db2.gz MLYVKAKRHMZYES-LSDHHAIUSA-N 1 0 335.467 2.796 20 10 EFCDRO Cc1c(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cnn1C ZINC000090888228 472664543 /nfs/dbraw/zinc/66/45/43/472664543.db2.gz WXEAHCSJQOLEDR-ZDUSSCGKSA-N 1 0 332.423 2.555 20 10 EFCDRO CC[N@H+](CC[C@@H]1CCOC1=O)Cc1cc(Br)ccc1O ZINC000120783754 472746795 /nfs/dbraw/zinc/74/67/95/472746795.db2.gz PLQADSXKUCXNMB-LLVKDONJSA-N 1 0 342.233 2.930 20 10 EFCDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)[nH]1)Cc1ccc(N(C)C)cc1 ZINC000156838780 472758932 /nfs/dbraw/zinc/75/89/32/472758932.db2.gz JHBMZXNIHRDNAS-UHFFFAOYSA-N 1 0 328.460 2.805 20 10 EFCDRO Oc1cc2c(cc1C[NH2+]C1CCN(Cc3ccccc3)CC1)OCO2 ZINC000063255903 472761534 /nfs/dbraw/zinc/76/15/34/472761534.db2.gz OSMPNYTVOIWUFO-UHFFFAOYSA-N 1 0 340.423 2.875 20 10 EFCDRO C[C@@H]([NH2+]CCc1cccnc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000133477151 472808165 /nfs/dbraw/zinc/80/81/65/472808165.db2.gz PNRDHTJZDIQOEH-OAHLLOKOSA-N 1 0 329.419 2.951 20 10 EFCDRO Cc1noc(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000091835149 472814203 /nfs/dbraw/zinc/81/42/03/472814203.db2.gz UGMIIJJGTOXKSC-UHFFFAOYSA-N 1 0 342.443 2.594 20 10 EFCDRO COc1cccc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c1O ZINC000121246383 472822364 /nfs/dbraw/zinc/82/23/64/472822364.db2.gz ZDCUSMVWRIVGGM-UHFFFAOYSA-N 1 0 340.423 2.749 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)cc1 ZINC000092055465 472849471 /nfs/dbraw/zinc/84/94/71/472849471.db2.gz PVNHQMJHINHQTO-UHFFFAOYSA-N 1 0 329.488 2.977 20 10 EFCDRO Oc1ccc(Br)cc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000133952891 472859113 /nfs/dbraw/zinc/85/91/13/472859113.db2.gz XGTDRNLDUDZOKE-CQSZACIVSA-N 1 0 325.250 2.825 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)cc1F ZINC000092188637 472872372 /nfs/dbraw/zinc/87/23/72/472872372.db2.gz WSQZNNRUNYMEQB-INIZCTEOSA-N 1 0 348.466 2.662 20 10 EFCDRO COc1cccc(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1O ZINC000073811635 472881947 /nfs/dbraw/zinc/88/19/47/472881947.db2.gz SEGGPNCSTVKKNM-IFXJQAMLSA-N 1 0 349.475 2.711 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000092455476 472916053 /nfs/dbraw/zinc/91/60/53/472916053.db2.gz IUDAPOCZHNCXOG-AWEZNQCLSA-N 1 0 336.432 2.890 20 10 EFCDRO CCCOc1ccc(C[NH+]2CCN(Cc3ccccn3)CC2)c(O)c1 ZINC000121962927 472954941 /nfs/dbraw/zinc/95/49/41/472954941.db2.gz LGOXSUXITOJQDX-UHFFFAOYSA-N 1 0 341.455 2.894 20 10 EFCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c(O)c1 ZINC000093017907 473027723 /nfs/dbraw/zinc/02/77/23/473027723.db2.gz KWTDBZQKCNGZPL-KRWDZBQOSA-N 1 0 348.487 2.725 20 10 EFCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c(O)c1 ZINC000093017905 473028823 /nfs/dbraw/zinc/02/88/23/473028823.db2.gz KWTDBZQKCNGZPL-QGZVFWFLSA-N 1 0 348.487 2.725 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000093133795 473048951 /nfs/dbraw/zinc/04/89/51/473048951.db2.gz CPWQKJAUXLORFL-INIZCTEOSA-N 1 0 325.460 2.670 20 10 EFCDRO COc1ccc(OC)c(C[N@H+](CCO)Cc2ccc(N(C)C)cc2)c1 ZINC000093361416 473095042 /nfs/dbraw/zinc/09/50/42/473095042.db2.gz YADRMZSYEZVZHP-UHFFFAOYSA-N 1 0 344.455 2.764 20 10 EFCDRO CCN(CC)c1ccc(CN2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000093413010 473104014 /nfs/dbraw/zinc/10/40/14/473104014.db2.gz KTECMXFSCIEACT-UHFFFAOYSA-N 1 0 333.520 2.811 20 10 EFCDRO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000093454669 473109553 /nfs/dbraw/zinc/10/95/53/473109553.db2.gz UQEGQWWCPLKODX-MRXNPFEDSA-N 1 0 335.835 2.725 20 10 EFCDRO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)N3CCCCC3)CC2)cc1 ZINC000052465938 473109768 /nfs/dbraw/zinc/10/97/68/473109768.db2.gz AACLWMCKYCBAQU-QGZVFWFLSA-N 1 0 345.487 2.608 20 10 EFCDRO CCCCNC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466715 473111822 /nfs/dbraw/zinc/11/18/22/473111822.db2.gz CWDKKMBRFZFRJS-MRXNPFEDSA-N 1 0 333.476 2.512 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1OC ZINC000160405114 473118254 /nfs/dbraw/zinc/11/82/54/473118254.db2.gz YKMGAMGEDFMODZ-ZFWWWQNUSA-N 1 0 331.416 2.689 20 10 EFCDRO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+](C)Cc1ccccc1O ZINC000109770863 473120504 /nfs/dbraw/zinc/12/05/04/473120504.db2.gz ZUPLWGFUAGAUME-CYBMUJFWSA-N 1 0 342.395 2.622 20 10 EFCDRO CCCOc1ccc(C[NH+]2CCC3(CC2)[C@H](OCC)C[C@@H]3O)c(O)c1 ZINC000093614096 473126432 /nfs/dbraw/zinc/12/64/32/473126432.db2.gz GWFMTDQIGWKVBV-RBUKOAKNSA-N 1 0 349.471 2.933 20 10 EFCDRO CCOc1ccc(O)c(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCC)c1 ZINC000093614225 473126700 /nfs/dbraw/zinc/12/67/00/473126700.db2.gz YQQPMBRZKFPDRA-MSOLQXFVSA-N 1 0 335.444 2.543 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000093665346 473131957 /nfs/dbraw/zinc/13/19/57/473131957.db2.gz HTHAJSAVSXXADM-IBGZPJMESA-N 1 0 331.504 2.687 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCC(N3CCCNC3=O)CC2)cc1 ZINC000093669582 473133169 /nfs/dbraw/zinc/13/31/69/473133169.db2.gz QUPCQTIKAGYXMS-UHFFFAOYSA-N 1 0 344.503 2.913 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[N@H+](C)C(C)C ZINC000075416818 473184367 /nfs/dbraw/zinc/18/43/67/473184367.db2.gz SLNCRQRLWDHDNZ-UHFFFAOYSA-N 1 0 343.265 2.843 20 10 EFCDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)c(OC)c1 ZINC000111235633 473197763 /nfs/dbraw/zinc/19/77/63/473197763.db2.gz OULTVLPUHVVVEF-CYBMUJFWSA-N 1 0 344.411 2.868 20 10 EFCDRO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+](C)Cc1ccccc1O ZINC000111235639 473197995 /nfs/dbraw/zinc/19/79/95/473197995.db2.gz VJPQWCXKQHAQJE-YOEHRIQHSA-N 1 0 340.423 2.853 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1cc(F)ccc1O ZINC000185375397 473409195 /nfs/dbraw/zinc/40/91/95/473409195.db2.gz QHWZONQKUBQFLZ-CMPLNLGQSA-N 1 0 341.329 2.900 20 10 EFCDRO COc1ccccc1N1CC[C@H]([N@H+](C)Cc2ccccc2O)C1=O ZINC000151257247 473432833 /nfs/dbraw/zinc/43/28/33/473432833.db2.gz NRQJWFQCCVXRFH-INIZCTEOSA-N 1 0 326.396 2.638 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000151349280 473446221 /nfs/dbraw/zinc/44/62/21/473446221.db2.gz OTZDWALWLVAREU-HKUYNNGSSA-N 1 0 348.512 2.668 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000151349157 473446615 /nfs/dbraw/zinc/44/66/15/473446615.db2.gz OTZDWALWLVAREU-PKOBYXMFSA-N 1 0 348.512 2.668 20 10 EFCDRO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185512043 473446809 /nfs/dbraw/zinc/44/68/09/473446809.db2.gz FKGZUQCNQGRLFD-JRKPZEMJSA-N 1 0 334.279 2.918 20 10 EFCDRO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185511992 473446868 /nfs/dbraw/zinc/44/68/68/473446868.db2.gz FKGZUQCNQGRLFD-MWODSPESSA-N 1 0 334.279 2.918 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cccc(C(=O)N(C)C)c2)c1 ZINC000185547260 473454194 /nfs/dbraw/zinc/45/41/94/473454194.db2.gz JWSKIYGXOOXNKW-CQSZACIVSA-N 1 0 342.439 2.996 20 10 EFCDRO COCCCN(C)CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185553466 473454949 /nfs/dbraw/zinc/45/49/49/473454949.db2.gz GKNYSFLEQOYBNP-GFCCVEGCSA-N 1 0 345.281 2.774 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cnn(C)c1 ZINC000151559556 473472389 /nfs/dbraw/zinc/47/23/89/473472389.db2.gz MBLDGVBGPNNDSN-HXUWFJFHSA-N 1 0 342.487 2.870 20 10 EFCDRO C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(Br)cc1O ZINC000185639373 473474453 /nfs/dbraw/zinc/47/44/53/473474453.db2.gz MPDOOBFVVKCAIH-RNCFNFMXSA-N 1 0 332.263 2.673 20 10 EFCDRO COc1cccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c1O ZINC000185693710 473489617 /nfs/dbraw/zinc/48/96/17/473489617.db2.gz PQUCQGLKDVPPFV-UHFFFAOYSA-N 1 0 328.412 2.716 20 10 EFCDRO CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000191202331 473505945 /nfs/dbraw/zinc/50/59/45/473505945.db2.gz OIQZZOMZEPGCBT-CQSZACIVSA-N 1 0 341.446 2.739 20 10 EFCDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000185773441 473511094 /nfs/dbraw/zinc/51/10/94/473511094.db2.gz QQQFPLZRRQFELO-KRWDZBQOSA-N 1 0 331.460 2.997 20 10 EFCDRO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(N(C)C)cc1 ZINC000126584327 473528925 /nfs/dbraw/zinc/52/89/25/473528925.db2.gz DMOISKWSRJEHKZ-OAHLLOKOSA-N 1 0 327.476 2.964 20 10 EFCDRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000178538118 473529118 /nfs/dbraw/zinc/52/91/18/473529118.db2.gz ZGIVTTHVHDFOKB-OAHLLOKOSA-N 1 0 342.487 2.788 20 10 EFCDRO Nc1ccc(CCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000152571227 473577510 /nfs/dbraw/zinc/57/75/10/473577510.db2.gz FWTUWRUASHQQTO-LJQANCHMSA-N 1 0 337.467 2.840 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)cc1O ZINC000186089244 473587725 /nfs/dbraw/zinc/58/77/25/473587725.db2.gz FDMSXKMRKIEOQU-KOLCDFICSA-N 1 0 339.233 2.569 20 10 EFCDRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000186127925 473597040 /nfs/dbraw/zinc/59/70/40/473597040.db2.gz UZKFOMQIZDSVIJ-LBPRGKRZSA-N 1 0 340.851 2.724 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c(O)c1 ZINC000186144440 473599807 /nfs/dbraw/zinc/59/98/07/473599807.db2.gz JEMFGOBVJARRPF-WCQYABFASA-N 1 0 330.350 2.905 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CC[S@@](=O)C(C)(C)C)CC2)cc1 ZINC000127384214 473606040 /nfs/dbraw/zinc/60/60/40/473606040.db2.gz HBSHOSWFLBEKGE-QHCPKHFHSA-N 1 0 338.517 2.801 20 10 EFCDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000115813657 473606785 /nfs/dbraw/zinc/60/67/85/473606785.db2.gz SYEFLQUYGMFXDJ-QGZVFWFLSA-N 1 0 344.503 2.552 20 10 EFCDRO CC[C@H]([NH2+]C[C@](C)(O)CCOC)c1cc(Br)ccc1O ZINC000186195893 473612258 /nfs/dbraw/zinc/61/22/58/473612258.db2.gz QCKYKASSGFVVFY-DZGCQCFKSA-N 1 0 346.265 2.983 20 10 EFCDRO C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000153207281 473613901 /nfs/dbraw/zinc/61/39/01/473613901.db2.gz INHXXAWACOFSHD-MRXNPFEDSA-N 1 0 345.487 2.610 20 10 EFCDRO C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1[O-] ZINC000186197275 473614248 /nfs/dbraw/zinc/61/42/48/473614248.db2.gz JIRRGKVMFIRYEU-ZDUSSCGKSA-N 1 0 333.407 2.718 20 10 EFCDRO C[C@@H]1C[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C[N@@H+]1C1CC1 ZINC000127564330 473626746 /nfs/dbraw/zinc/62/67/46/473626746.db2.gz OMQYQJCCZBMWKW-HIFRSBDPSA-N 1 0 343.471 2.695 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N(C)[C@@H]3CC[NH2+]C3)c2C)cc1 ZINC000179099223 473628245 /nfs/dbraw/zinc/62/82/45/473628245.db2.gz JHUDUFJZFNSMBW-MRXNPFEDSA-N 1 0 327.428 2.537 20 10 EFCDRO C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(Cl)ccc1O ZINC000186375108 473663073 /nfs/dbraw/zinc/66/30/73/473663073.db2.gz NOSFBYKNYGWRKC-WCQYABFASA-N 1 0 327.808 2.618 20 10 EFCDRO CCN(CC(=O)Nc1cccc(OC)c1)Cc1cc(OC)ccc1O ZINC000179564275 473694613 /nfs/dbraw/zinc/69/46/13/473694613.db2.gz RKEHHDQJYIFADH-UHFFFAOYSA-N 1 0 344.411 2.870 20 10 EFCDRO O=C(NC1CCCCC1)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC000179563227 473695170 /nfs/dbraw/zinc/69/51/70/473695170.db2.gz RPAUKNGDJXDWHI-UHFFFAOYSA-N 1 0 331.460 2.989 20 10 EFCDRO Cc1cc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c(C)n1-c1ccccn1 ZINC000269174388 473718758 /nfs/dbraw/zinc/71/87/58/473718758.db2.gz GOJILUFPQZAVPU-HOCLYGCPSA-N 1 0 326.444 2.607 20 10 EFCDRO COc1cccc(C[N@H+](C)Cc2ccccc2N2CCOCC2)c1O ZINC000179762776 473721931 /nfs/dbraw/zinc/72/19/31/473721931.db2.gz QCYHWYSGNZJBDU-UHFFFAOYSA-N 1 0 342.439 2.869 20 10 EFCDRO C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000287685183 473734113 /nfs/dbraw/zinc/73/41/13/473734113.db2.gz WKDDUOUOIMEOCR-HLLBOEOZSA-N 1 0 336.451 2.986 20 10 EFCDRO CC[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cccc(Cl)c1[O-] ZINC000287688019 473734547 /nfs/dbraw/zinc/73/45/47/473734547.db2.gz NAVYGMMHIAMASI-CYBMUJFWSA-N 1 0 331.865 2.911 20 10 EFCDRO CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287696010 473736402 /nfs/dbraw/zinc/73/64/02/473736402.db2.gz NKSJAUMKCLWOKQ-MRXNPFEDSA-N 1 0 325.884 2.724 20 10 EFCDRO O=C(NCc1ccccc1O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000281509879 473746095 /nfs/dbraw/zinc/74/60/95/473746095.db2.gz KALHJKRUTDUKGL-KRWDZBQOSA-N 1 0 331.460 2.989 20 10 EFCDRO CCCNC(=O)C1CC[NH+](Cc2ccc(OCCC)cc2O)CC1 ZINC000179922535 473756287 /nfs/dbraw/zinc/75/62/87/473756287.db2.gz NEWQDCWUVCTOCR-UHFFFAOYSA-N 1 0 334.460 2.919 20 10 EFCDRO O=C(c1ccccc1)N1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC000179937475 473758305 /nfs/dbraw/zinc/75/83/05/473758305.db2.gz WXMFOZFSKFATLL-UHFFFAOYSA-N 1 0 328.387 2.879 20 10 EFCDRO CC(=O)NCCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000186962296 473788725 /nfs/dbraw/zinc/78/87/25/473788725.db2.gz OFQSGZKJNXGFDK-JTQLQIEISA-N 1 0 329.238 2.640 20 10 EFCDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(O)c1O ZINC000187047369 473809383 /nfs/dbraw/zinc/80/93/83/473809383.db2.gz NLVIELLMLJXFNH-ZDUSSCGKSA-N 1 0 346.452 2.801 20 10 EFCDRO COCCOCC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187060166 473810830 /nfs/dbraw/zinc/81/08/30/473810830.db2.gz VKWTXJMHEUBKIB-LLVKDONJSA-N 1 0 332.238 2.777 20 10 EFCDRO COCCOCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187060177 473811056 /nfs/dbraw/zinc/81/10/56/473811056.db2.gz VKWTXJMHEUBKIB-NSHDSACASA-N 1 0 332.238 2.777 20 10 EFCDRO CN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000281781361 473835716 /nfs/dbraw/zinc/83/57/16/473835716.db2.gz GXKVKICHPRYGIH-UHFFFAOYSA-N 1 0 342.487 2.690 20 10 EFCDRO COC[C@H](O)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187412716 473869455 /nfs/dbraw/zinc/86/94/55/473869455.db2.gz GHHFHCZUIRRHCF-CMPLNLGQSA-N 1 0 332.238 2.511 20 10 EFCDRO CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000187699015 473905756 /nfs/dbraw/zinc/90/57/56/473905756.db2.gz HZTRRDNPBHLCNL-ZIAGYGMSSA-N 1 0 341.446 2.595 20 10 EFCDRO C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(F)c(F)c1[O-] ZINC000187700783 473906686 /nfs/dbraw/zinc/90/66/86/473906686.db2.gz FMXAWWHUPADHDE-ZDUSSCGKSA-N 1 0 341.446 2.595 20 10 EFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)CSC ZINC000187912293 473941099 /nfs/dbraw/zinc/94/10/99/473941099.db2.gz WERQQPLIJPYIMZ-GFCCVEGCSA-N 1 0 334.279 2.701 20 10 EFCDRO Cc1ccc([C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[NH+](C)C)cc1 ZINC000180714272 473949277 /nfs/dbraw/zinc/94/92/77/473949277.db2.gz IEJNURDOGUWFEQ-ZBZNSMLMSA-N 1 0 340.423 2.839 20 10 EFCDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)/C=C/c2ccc(O)c(O)c2)o1 ZINC000180718926 473950046 /nfs/dbraw/zinc/95/00/46/473950046.db2.gz KAWKGSLXZJHUKS-RMKNXTFCSA-N 1 0 344.411 2.603 20 10 EFCDRO CC[C@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccccc1O ZINC000274805835 473966871 /nfs/dbraw/zinc/96/68/71/473966871.db2.gz WOYDKLPWCOUWMX-SWLSCSKDSA-N 1 0 343.349 2.617 20 10 EFCDRO Cc1ccc2nc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cn2c1 ZINC000264404638 473979934 /nfs/dbraw/zinc/97/99/34/473979934.db2.gz XMQZLUZFNWEJBN-UHFFFAOYSA-N 1 0 336.439 2.769 20 10 EFCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C[C@H]1C ZINC000188109508 473985285 /nfs/dbraw/zinc/98/52/85/473985285.db2.gz JNXMCGNWZLHKCN-MFKMUULPSA-N 1 0 327.808 2.685 20 10 EFCDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180988519 473996844 /nfs/dbraw/zinc/99/68/44/473996844.db2.gz XHJFSYJPICMDJK-PKNBQFBNSA-N 1 0 332.444 2.834 20 10 EFCDRO Cc1cccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c1O ZINC000181030321 473999304 /nfs/dbraw/zinc/99/93/04/473999304.db2.gz KVKGGTBPLIKYCJ-UHFFFAOYSA-N 1 0 339.844 2.918 20 10 EFCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1sccc1C[NH+](C)C ZINC000274903468 474006387 /nfs/dbraw/zinc/00/63/87/474006387.db2.gz GXAIJMNWPGBZLQ-NSHDSACASA-N 1 0 334.441 2.582 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000181109905 474006548 /nfs/dbraw/zinc/00/65/48/474006548.db2.gz HVSSEJVMVAQGLK-VQHVLOKHSA-N 1 0 330.428 2.588 20 10 EFCDRO COc1ccc(O)c(C[NH2+]CC2(N3CCCCC3)CCOCC2)c1 ZINC000181208745 474017637 /nfs/dbraw/zinc/01/76/37/474017637.db2.gz UITLYEZDSXOPFT-UHFFFAOYSA-N 1 0 334.460 2.526 20 10 EFCDRO Oc1ccc(F)cc1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000274965440 474024003 /nfs/dbraw/zinc/02/40/03/474024003.db2.gz VFCVJLOBNFPJHP-UHFFFAOYSA-N 1 0 330.407 2.839 20 10 EFCDRO CCOC(=O)C[C@@](C)([NH2+]Cc1cc(OC)c(OC)cc1O)C(C)C ZINC000274992974 474033802 /nfs/dbraw/zinc/03/38/02/474033802.db2.gz ZMKRORUQHGZIDZ-GOSISDBHSA-N 1 0 339.432 2.867 20 10 EFCDRO Cc1cc(C)n(CC[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000264612031 474058746 /nfs/dbraw/zinc/05/87/46/474058746.db2.gz NZXZBBQMFZNYEP-GOSISDBHSA-N 1 0 329.444 2.887 20 10 EFCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000282445794 474068783 /nfs/dbraw/zinc/06/87/83/474068783.db2.gz LIRNGQLMDACPLJ-DOTOQJQBSA-N 1 0 334.460 2.678 20 10 EFCDRO CCOc1cccc(C[NH+]2CCN(Cc3cccnc3)CC2)c1O ZINC000182053509 474089377 /nfs/dbraw/zinc/08/93/77/474089377.db2.gz VGGDJEFTJFVEMU-UHFFFAOYSA-N 1 0 327.428 2.504 20 10 EFCDRO COc1ccc(O)c(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)c1 ZINC000182119647 474103969 /nfs/dbraw/zinc/10/39/69/474103969.db2.gz VXBPKCFGXCQTCE-MRXNPFEDSA-N 1 0 341.329 2.941 20 10 EFCDRO C[C@@H](CNC(=O)NCc1ccccc1O)[N@H+](C)Cc1ccccc1 ZINC000264803710 474133182 /nfs/dbraw/zinc/13/31/82/474133182.db2.gz UPEBAWIXASKELC-HNNXBMFYSA-N 1 0 327.428 2.712 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COc2cccc(C)c2)c1 ZINC000182340234 474153449 /nfs/dbraw/zinc/15/34/49/474153449.db2.gz PDJGEKBXYNJKKO-CABCVRRESA-N 1 0 331.412 2.800 20 10 EFCDRO O=C(c1ccncc1)N1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000264987452 474163402 /nfs/dbraw/zinc/16/34/02/474163402.db2.gz WGLGJUJPXUUJCM-UHFFFAOYSA-N 1 0 345.830 2.835 20 10 EFCDRO CS(=O)(=O)Cc1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000264982279 474163508 /nfs/dbraw/zinc/16/35/08/474163508.db2.gz UTVUBJHFQUVCMX-UHFFFAOYSA-N 1 0 339.844 2.880 20 10 EFCDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000289209915 474184127 /nfs/dbraw/zinc/18/41/27/474184127.db2.gz BXNKQJYSIHJLLG-CYBMUJFWSA-N 1 0 337.725 2.973 20 10 EFCDRO CCCOc1ccc(CN2C[C@H](C)[S@](=O)[C@@H](CC)C2)c(O)c1 ZINC000289209964 474184594 /nfs/dbraw/zinc/18/45/94/474184594.db2.gz BXUKXTXYTHNMBQ-ODIUBACGSA-N 1 0 325.474 2.912 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1nccn1C ZINC000182572763 474208961 /nfs/dbraw/zinc/20/89/61/474208961.db2.gz GITFHYRXLSKORA-LJQANCHMSA-N 1 0 342.487 2.870 20 10 EFCDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cc(Cl)cc(OC)c2O)C1(C)C ZINC000188902729 474229593 /nfs/dbraw/zinc/22/95/93/474229593.db2.gz GVSILTIGFTZQFU-YOEHRIQHSA-N 1 0 343.851 2.710 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC000182679855 474230821 /nfs/dbraw/zinc/23/08/21/474230821.db2.gz HUDOCJSMBMLKHK-GFCCVEGCSA-N 1 0 348.349 2.574 20 10 EFCDRO Cc1cccc(C[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1O ZINC000182679749 474231647 /nfs/dbraw/zinc/23/16/47/474231647.db2.gz XKJIELVLNODEKG-ZDUSSCGKSA-N 1 0 332.350 2.874 20 10 EFCDRO CCc1ccc([C@H](O)C[NH2+]Cc2cc(OC)c(OC)cc2O)cc1 ZINC000289347268 474231731 /nfs/dbraw/zinc/23/17/31/474231731.db2.gz IQGXUXYDKIQZKW-QGZVFWFLSA-N 1 0 331.412 2.795 20 10 EFCDRO C[NH+](C)CCc1ccccc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000275671565 474275390 /nfs/dbraw/zinc/27/53/90/474275390.db2.gz PEUUUZQHBDJSFS-UHFFFAOYSA-N 1 0 343.427 2.566 20 10 EFCDRO COc1cccc(C[NH2+]C2CCN(C(=O)OCC(C)C)CC2)c1O ZINC000289512160 474303496 /nfs/dbraw/zinc/30/34/96/474303496.db2.gz UUWFPDLGAZVMOI-UHFFFAOYSA-N 1 0 336.432 2.747 20 10 EFCDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000289591412 474336315 /nfs/dbraw/zinc/33/63/15/474336315.db2.gz KLSSOHRVOAKAAG-NQIIRXRSSA-N 1 0 343.515 2.972 20 10 EFCDRO CC[C@H]([NH2+]Cc1cc(Br)ccc1O)[C@@H](O)C(F)(F)F ZINC000270998342 474359818 /nfs/dbraw/zinc/35/98/18/474359818.db2.gz PPFOIBRGDHVGTC-GXSJLCMTSA-N 1 0 342.155 2.946 20 10 EFCDRO Cc1cc(C(=O)N2CC[N@@H+](C)CC2(C)C)c(C)n1-c1ccccn1 ZINC000271012209 474367463 /nfs/dbraw/zinc/36/74/63/474367463.db2.gz HVQYDVFHZVJNKH-UHFFFAOYSA-N 1 0 326.444 2.655 20 10 EFCDRO CC[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccccc1O ZINC000183342137 474373654 /nfs/dbraw/zinc/37/36/54/474373654.db2.gz JXMITYHHLFOCKU-CHWSQXEVSA-N 1 0 330.350 2.986 20 10 EFCDRO CC[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccccc1O ZINC000183342167 474374011 /nfs/dbraw/zinc/37/40/11/474374011.db2.gz JXMITYHHLFOCKU-OLZOCXBDSA-N 1 0 330.350 2.986 20 10 EFCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000183443431 474381331 /nfs/dbraw/zinc/38/13/31/474381331.db2.gz JEYURGYOVDPORE-OLZOCXBDSA-N 1 0 334.441 2.712 20 10 EFCDRO COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccccc3O)C2=O)cc1 ZINC000183606367 474399129 /nfs/dbraw/zinc/39/91/29/474399129.db2.gz WHKWLRYCKNWNIW-RDTXWAMCSA-N 1 0 340.423 2.853 20 10 EFCDRO COc1cccc(CN2CC[NH+](CCc3cccs3)CC2)c1O ZINC000271084916 474401474 /nfs/dbraw/zinc/40/14/74/474401474.db2.gz SPZNPVOUOQQZBA-UHFFFAOYSA-N 1 0 332.469 2.823 20 10 EFCDRO COc1cc(O)c(CN2CCO[C@@H](c3ccccc3)C2)cc1OC ZINC000271110747 474401639 /nfs/dbraw/zinc/40/16/39/474401639.db2.gz UCKORMHTFDFBGV-LJQANCHMSA-N 1 0 329.396 2.983 20 10 EFCDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(N2CCCCC2)cc1 ZINC000176198443 474406757 /nfs/dbraw/zinc/40/67/57/474406757.db2.gz YFGLMHYWQHCEGD-UHFFFAOYSA-N 1 0 343.431 2.914 20 10 EFCDRO COc1cc(N2CC[NH+](CCCSC)CC2)cc(OC)c1OC ZINC000183700779 474415382 /nfs/dbraw/zinc/41/53/82/474415382.db2.gz IRMZRLITGRARCG-UHFFFAOYSA-N 1 0 340.489 2.588 20 10 EFCDRO CCOc1cccc(C[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)c1O ZINC000276104922 474418850 /nfs/dbraw/zinc/41/88/50/474418850.db2.gz WWHUBXFWXSVUFN-UHFFFAOYSA-N 1 0 330.432 2.581 20 10 EFCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000266132390 474420020 /nfs/dbraw/zinc/42/00/20/474420020.db2.gz DFTUGEZULYGLCX-IBGZPJMESA-N 1 0 349.434 2.550 20 10 EFCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(C)ccc1O ZINC000266121820 474420566 /nfs/dbraw/zinc/42/05/66/474420566.db2.gz AAJVCBNUYSDTSS-SFHVURJKSA-N 1 0 337.423 2.629 20 10 EFCDRO Cc1nc2sccn2c1C[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000271172412 474420675 /nfs/dbraw/zinc/42/06/75/474420675.db2.gz VSYPYXGNZDPAGJ-UHFFFAOYSA-N 1 0 331.397 2.771 20 10 EFCDRO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000271256366 474460899 /nfs/dbraw/zinc/46/08/99/474460899.db2.gz HAMVLHULSAJBBY-UHFFFAOYSA-N 1 0 326.396 2.949 20 10 EFCDRO Cc1cc(Br)cc(CN2CCC[C@](F)(CO)C2)c1O ZINC000289934166 474493106 /nfs/dbraw/zinc/49/31/06/474493106.db2.gz WPNFYCZZGMGULZ-CQSZACIVSA-N 1 0 332.213 2.760 20 10 EFCDRO Cc1nnc(CC[NH2+]Cc2cc(Br)ccc2O)s1 ZINC000289940959 474495267 /nfs/dbraw/zinc/49/52/67/474495267.db2.gz UHYDIZYJFFTZMG-UHFFFAOYSA-N 1 0 328.235 2.647 20 10 EFCDRO COc1ccc([C@H](CN(C)C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000283818103 474503688 /nfs/dbraw/zinc/50/36/88/474503688.db2.gz CLQZAHFDHCWIMB-KRWDZBQOSA-N 1 0 330.428 2.802 20 10 EFCDRO CCOCc1cc(CNCc2ncccc2N(C)C)ccc1OC ZINC000289983135 474514144 /nfs/dbraw/zinc/51/41/44/474514144.db2.gz ZWAJZWUZBMSFHN-UHFFFAOYSA-N 1 0 329.444 2.983 20 10 EFCDRO Cc1cccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1O ZINC000290316480 474565702 /nfs/dbraw/zinc/56/57/02/474565702.db2.gz CPHCOJMHAUEFKQ-PMACEKPBSA-N 1 0 340.467 2.673 20 10 EFCDRO OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000290390687 474569872 /nfs/dbraw/zinc/56/98/72/474569872.db2.gz ITZVPTIHHAUIKR-LPHOPBHVSA-N 1 0 344.430 2.504 20 10 EFCDRO COc1cc(O)c(C[NH2+]CC[C@@](C)(O)c2ccccc2)cc1OC ZINC000190274174 474572325 /nfs/dbraw/zinc/57/23/25/474572325.db2.gz BGLFRVQDIPTWLS-LJQANCHMSA-N 1 0 331.412 2.797 20 10 EFCDRO O=C1CCCN1[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000276818102 474572385 /nfs/dbraw/zinc/57/23/85/474572385.db2.gz OZWQXWNWRADNCT-IBGZPJMESA-N 1 0 327.472 2.874 20 10 EFCDRO C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(F)c(F)c1[O-] ZINC000276992139 474575903 /nfs/dbraw/zinc/57/59/03/474575903.db2.gz XPBVQMOLQJFDAU-KNXALSJPSA-N 1 0 340.414 2.699 20 10 EFCDRO Cc1ccccc1CN1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000277469548 474585562 /nfs/dbraw/zinc/58/55/62/474585562.db2.gz NFMMHAQTPXRBHQ-UHFFFAOYSA-N 1 0 344.386 2.503 20 10 EFCDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccccc1O ZINC000271729426 474587963 /nfs/dbraw/zinc/58/79/63/474587963.db2.gz SBWBHIQJPLQRPW-XJKSGUPXSA-N 1 0 345.395 2.602 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1O ZINC000184703493 474589998 /nfs/dbraw/zinc/58/99/98/474589998.db2.gz VBNHXUAXDMRNCX-LBPRGKRZSA-N 1 0 336.823 2.558 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1C ZINC000290999786 474590161 /nfs/dbraw/zinc/59/01/61/474590161.db2.gz ASTVDDFDZQYBDK-CYBMUJFWSA-N 1 0 344.377 2.900 20 10 EFCDRO Cc1cccc(C[NH+]2CCN(Cc3noc(C(C)(C)C)n3)CC2)c1O ZINC000271782032 474591097 /nfs/dbraw/zinc/59/10/97/474591097.db2.gz HTTVYGSYPGTCML-UHFFFAOYSA-N 1 0 344.459 2.699 20 10 EFCDRO COc1cc(C[N@H+](C)Cc2cc(OC)c(OC)cc2O)ccc1O ZINC000271843322 474595701 /nfs/dbraw/zinc/59/57/01/474595701.db2.gz UDUKMEWCDFDBBM-UHFFFAOYSA-N 1 0 333.384 2.756 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)cc1OC ZINC000271864943 474596838 /nfs/dbraw/zinc/59/68/38/474596838.db2.gz WACRGBMRCIPHKG-FNODVLLQSA-N 1 0 349.452 2.998 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NCC2=CC[N@H+](C)CC2)cc1F ZINC000272115518 474602242 /nfs/dbraw/zinc/60/22/42/474602242.db2.gz RPWZPLDDRDJYPE-UHFFFAOYSA-N 1 0 348.466 2.733 20 10 EFCDRO COc1c(O)c(CN(C)CC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000278202714 474604055 /nfs/dbraw/zinc/60/40/55/474604055.db2.gz JIWJMPPAMCSUEL-CQSZACIVSA-N 1 0 337.420 2.615 20 10 EFCDRO COC[C@]1(C[NH2+]Cc2cccc(C)c2O)OCCc2ccccc21 ZINC000291476231 474604562 /nfs/dbraw/zinc/60/45/62/474604562.db2.gz FIFIDPVUNWRWPY-FQEVSTJZSA-N 1 0 327.424 2.905 20 10 EFCDRO OC[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000184786562 474607933 /nfs/dbraw/zinc/60/79/33/474607933.db2.gz SRDKTWSCNOERAI-KRWDZBQOSA-N 1 0 341.407 2.894 20 10 EFCDRO COc1ccc(N2CC[NH+](Cc3ccc(CO)cc3)CC2)cc1F ZINC000272371627 474609888 /nfs/dbraw/zinc/60/98/88/474609888.db2.gz UOEJROULUQDVFN-UHFFFAOYSA-N 1 0 330.403 2.649 20 10 EFCDRO COCC[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278328179 474610883 /nfs/dbraw/zinc/61/08/83/474610883.db2.gz YYJZJNVPTGBQPR-UHFFFAOYSA-N 1 0 346.383 2.958 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000272440358 474612367 /nfs/dbraw/zinc/61/23/67/474612367.db2.gz KZCFLXMQZNTXBH-PKOBYXMFSA-N 1 0 344.503 2.768 20 10 EFCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H](C)c1ccccc1O ZINC000272793706 474625414 /nfs/dbraw/zinc/62/54/14/474625414.db2.gz AAIWRRFWPBZHBJ-UGSOOPFHSA-N 1 0 337.423 2.881 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1OC ZINC000278438563 474644372 /nfs/dbraw/zinc/64/43/72/474644372.db2.gz VILXSHYYANXJLP-MEBBXXQBSA-N 1 0 349.349 2.545 20 10 EFCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCN(c3ccccc3F)C1)OCO2 ZINC000291745224 474666436 /nfs/dbraw/zinc/66/64/36/474666436.db2.gz PMKVRTPAKGLBAW-ZDUSSCGKSA-N 1 0 330.359 2.629 20 10 EFCDRO CCOCc1cc(C[NH2+]CC2(COC)CCOCC2)ccc1OC ZINC000291745218 474667669 /nfs/dbraw/zinc/66/76/69/474667669.db2.gz PMKQBKXYVMMAEQ-UHFFFAOYSA-N 1 0 337.460 2.765 20 10 EFCDRO COc1c([O-])c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278538277 474689414 /nfs/dbraw/zinc/68/94/14/474689414.db2.gz WTAOITKJOJPLMC-UHFFFAOYSA-N 1 0 349.431 2.806 20 10 EFCDRO CCCOc1ccc(C[NH2+]Cc2ccc(NC(C)=O)nc2)c(O)c1 ZINC000278694879 474781264 /nfs/dbraw/zinc/78/12/64/474781264.db2.gz QHNAPQORPAOSKO-UHFFFAOYSA-N 1 0 329.400 2.824 20 10 EFCDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)C[N@@H+]1Cc1ccccc1 ZINC000268119846 474809499 /nfs/dbraw/zinc/80/94/99/474809499.db2.gz MCAGSICWWIKHRW-CRAIPNDOSA-N 1 0 339.439 2.854 20 10 EFCDRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(C)c(C)c3O)C2=O)n(C)n1 ZINC000273349488 474853037 /nfs/dbraw/zinc/85/30/37/474853037.db2.gz BLJIEXIHULRGBJ-HOCLYGCPSA-N 1 0 342.443 2.507 20 10 EFCDRO COCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2O)C1 ZINC000273371169 474864789 /nfs/dbraw/zinc/86/47/89/474864789.db2.gz COAMEHXTKHVDCU-DGCLKSJQSA-N 1 0 343.265 2.526 20 10 EFCDRO COc1cc(C[NH2+][C@H](C)c2cc(C)ccc2O)ccc1OCCO ZINC000273387172 474873357 /nfs/dbraw/zinc/87/33/57/474873357.db2.gz JWZBMOAIIFPQBB-CQSZACIVSA-N 1 0 331.412 2.931 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OCCO)c(OC)c2)c1 ZINC000273387152 474873495 /nfs/dbraw/zinc/87/34/95/474873495.db2.gz JWFVXPGYGJRNDN-CYBMUJFWSA-N 1 0 347.411 2.631 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OCCO)c(OC)c2)c1 ZINC000273387155 474873762 /nfs/dbraw/zinc/87/37/62/474873762.db2.gz JWFVXPGYGJRNDN-ZDUSSCGKSA-N 1 0 347.411 2.631 20 10 EFCDRO Cc1cc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000268238814 474881407 /nfs/dbraw/zinc/88/14/07/474881407.db2.gz OKPOERWMBFJJGH-ACJLOTCBSA-N 1 0 338.455 2.702 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)c1 ZINC000273419883 474890508 /nfs/dbraw/zinc/89/05/08/474890508.db2.gz JFAXURAOVWNUGO-ABAIWWIYSA-N 1 0 343.349 2.535 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000273435615 474897077 /nfs/dbraw/zinc/89/70/77/474897077.db2.gz WVQBPHBZOIOUFW-GFCCVEGCSA-N 1 0 335.425 2.655 20 10 EFCDRO Cc1cc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)ccc1N(C)C ZINC000293263747 474897272 /nfs/dbraw/zinc/89/72/72/474897272.db2.gz XOQOPKYLJRANPG-IBGZPJMESA-N 1 0 341.455 2.935 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cc(Br)ccc1O ZINC000273443924 474900532 /nfs/dbraw/zinc/90/05/32/474900532.db2.gz DSVRCCMBRSHHQV-MEBBXXQBSA-N 1 0 344.249 2.593 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)c(O)c1 ZINC000273459864 474910039 /nfs/dbraw/zinc/91/00/39/474910039.db2.gz QIBYKZJBXBIWDG-NHYWBVRUSA-N 1 0 343.349 2.535 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)c(O)c1C ZINC000273467670 474915107 /nfs/dbraw/zinc/91/51/07/474915107.db2.gz JAQSYWRVXOIUJG-WCQYABFASA-N 1 0 330.350 2.823 20 10 EFCDRO C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000273473477 474916728 /nfs/dbraw/zinc/91/67/28/474916728.db2.gz KDTHKOJJMCVSSB-JJQCHNSYSA-N 1 0 334.279 2.962 20 10 EFCDRO COC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000273496243 474928547 /nfs/dbraw/zinc/92/85/47/474928547.db2.gz PGONXUVLJMCIMX-CYBMUJFWSA-N 1 0 345.395 2.803 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(Br)cc1O ZINC000273514898 474939167 /nfs/dbraw/zinc/93/91/67/474939167.db2.gz SJGSOSIQENOMCM-MEBBXXQBSA-N 1 0 344.249 2.593 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(Br)cc1O ZINC000273514850 474939544 /nfs/dbraw/zinc/93/95/44/474939544.db2.gz SJGSOSIQENOMCM-BMIGLBTASA-N 1 0 344.249 2.593 20 10 EFCDRO C[C@@H]1CCSCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000279247228 474967825 /nfs/dbraw/zinc/96/78/25/474967825.db2.gz KVEOFTVEOVNUDT-OAHLLOKOSA-N 1 0 335.517 2.538 20 10 EFCDRO COC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1O)[C@@H]1CCCO1 ZINC000279499594 474978384 /nfs/dbraw/zinc/97/83/84/474978384.db2.gz VWKSPRDWRDAPJP-KGLIPLIRSA-N 1 0 344.249 2.747 20 10 EFCDRO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279556680 474979792 /nfs/dbraw/zinc/97/97/92/474979792.db2.gz AZRMLBKHSYYUEL-SAHAZLINSA-N 1 0 336.423 2.970 20 10 EFCDRO COc1ccc(N2CCN(CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1F ZINC000268454826 474989588 /nfs/dbraw/zinc/98/95/88/474989588.db2.gz JIODOPCPSVBDPF-INIZCTEOSA-N 1 0 335.467 2.831 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1cc(Br)ccc1O ZINC000273614681 474990739 /nfs/dbraw/zinc/99/07/39/474990739.db2.gz WZWRDVAEBKIUOB-BDAKNGLRSA-N 1 0 325.210 2.695 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000273622758 474994162 /nfs/dbraw/zinc/99/41/62/474994162.db2.gz ZOJGCTCLCDALJS-CABCVRRESA-N 1 0 334.460 2.950 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc2ccccc2c1O ZINC000273621438 474995477 /nfs/dbraw/zinc/99/54/77/474995477.db2.gz ZDTHUWOUIHBWGS-DZGCQCFKSA-N 1 0 348.468 2.620 20 10 EFCDRO CC(C)n1nccc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000279838526 474996345 /nfs/dbraw/zinc/99/63/45/474996345.db2.gz HJPPEHZUFABTTP-UHFFFAOYSA-N 1 0 332.423 2.730 20 10 EFCDRO CN(C)C(=O)CCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279877788 474996964 /nfs/dbraw/zinc/99/69/64/474996964.db2.gz KCEIZPRGMDDYKD-UHFFFAOYSA-N 1 0 331.382 2.729 20 10 EFCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3C)cc2F)C[C@@H](C)O1 ZINC000279959058 475002987 /nfs/dbraw/zinc/00/29/87/475002987.db2.gz PAVRIGODEKAJAV-LUXYFRNMSA-N 1 0 336.451 2.954 20 10 EFCDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(C)cc1O ZINC000280075606 475006981 /nfs/dbraw/zinc/00/69/81/475006981.db2.gz LJLUQYIOMNDYNH-HZPDHXFCSA-N 1 0 342.443 2.670 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(N2CCOCC2)cc1 ZINC000280091991 475009633 /nfs/dbraw/zinc/00/96/33/475009633.db2.gz MLOMKRBUDDORGP-KXBFYZLASA-N 1 0 340.471 2.985 20 10 EFCDRO OC[C@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCOC1 ZINC000280206901 475014738 /nfs/dbraw/zinc/01/47/38/475014738.db2.gz FIVQBXANZDSYSO-MJGOQNOKSA-N 1 0 327.424 2.794 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c(C(F)(F)F)c1 ZINC000280282007 475018660 /nfs/dbraw/zinc/01/86/60/475018660.db2.gz LSIBZKGBDSMFFS-ZIAGYGMSSA-N 1 0 346.393 2.506 20 10 EFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)COCC(F)(F)F ZINC000292433378 475023923 /nfs/dbraw/zinc/02/39/23/475023923.db2.gz LWQISIJKUCEWGR-INIZCTEOSA-N 1 0 348.409 2.903 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CCn2cc(Br)cn2)cc1F ZINC000285558415 475030985 /nfs/dbraw/zinc/03/09/85/475030985.db2.gz SFGHQPASLFHNKU-UHFFFAOYSA-N 1 0 341.228 2.641 20 10 EFCDRO CN(C)c1ccc(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1F ZINC000285593861 475031022 /nfs/dbraw/zinc/03/10/22/475031022.db2.gz HXPBHFFCDXTXBX-FLOBVVSRSA-N 1 0 333.451 2.662 20 10 EFCDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000285592278 475031741 /nfs/dbraw/zinc/03/17/41/475031741.db2.gz ITHOYVSFUQZKSI-QAPCUYQASA-N 1 0 330.476 2.521 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1O ZINC000273734749 475034038 /nfs/dbraw/zinc/03/40/38/475034038.db2.gz KZNRVPAEQUEVRK-MFKMUULPSA-N 1 0 339.741 2.942 20 10 EFCDRO COCCC[C@@H](C)[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000268730600 475040148 /nfs/dbraw/zinc/04/01/48/475040148.db2.gz LXUHFJQNLXWWDB-GOSISDBHSA-N 1 0 349.519 2.612 20 10 EFCDRO COCCC[C@H](C)[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000268730601 475040597 /nfs/dbraw/zinc/04/05/97/475040597.db2.gz LXUHFJQNLXWWDB-SFHVURJKSA-N 1 0 349.519 2.612 20 10 EFCDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccccc2O)c(OC)c1 ZINC000268818390 475043706 /nfs/dbraw/zinc/04/37/06/475043706.db2.gz JENWYRORVSZDQU-CYBMUJFWSA-N 1 0 344.411 2.916 20 10 EFCDRO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(N2CCCCC2)cc1 ZINC000268854838 475046444 /nfs/dbraw/zinc/04/64/44/475046444.db2.gz CTAZANGKFXYQKC-KXBFYZLASA-N 1 0 328.460 2.795 20 10 EFCDRO C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000268838957 475046504 /nfs/dbraw/zinc/04/65/04/475046504.db2.gz MRRSYSBGSZKGGZ-YLJYHZDGSA-N 1 0 331.504 2.784 20 10 EFCDRO COc1c([O-])c(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000293872875 475056653 /nfs/dbraw/zinc/05/66/53/475056653.db2.gz CQTTXLRJVULEKO-QGZVFWFLSA-N 1 0 338.404 2.540 20 10 EFCDRO Cc1cc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C)n1-c1ccccn1 ZINC000292531664 475074968 /nfs/dbraw/zinc/07/49/68/475074968.db2.gz KJBRDAUHRJHWBJ-HXUWFJFHSA-N 1 0 338.455 2.657 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]Cc2cnnn2C)cc1 ZINC000294661547 475077925 /nfs/dbraw/zinc/07/79/25/475077925.db2.gz AKBASUBINGTLAX-UHFFFAOYSA-N 1 0 327.457 2.803 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)[NH2+]C1CC1 ZINC000294686796 475079218 /nfs/dbraw/zinc/07/92/18/475079218.db2.gz ACXHEFUZKHJOHT-JTQLQIEISA-N 1 0 341.249 2.644 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCc2nnc[nH]2)cc1 ZINC000294986483 475095322 /nfs/dbraw/zinc/09/53/22/475095322.db2.gz GQOWYWITFLEEEU-UHFFFAOYSA-N 1 0 327.457 2.835 20 10 EFCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCN1CCC(O)CC1 ZINC000294995806 475097412 /nfs/dbraw/zinc/09/74/12/475097412.db2.gz ZNFMJOWPVRRIRB-UHFFFAOYSA-N 1 0 326.440 2.606 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cc2c(cc1O)CCCC2 ZINC000287242050 475099974 /nfs/dbraw/zinc/09/99/74/475099974.db2.gz YWTDGNAOGRUYQR-KGLIPLIRSA-N 1 0 337.485 2.746 20 10 EFCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H](CO)c1ccc(Cl)cc1 ZINC000295048247 475100126 /nfs/dbraw/zinc/10/01/26/475100126.db2.gz NDRDPUVKEVPVRJ-AWEZNQCLSA-N 1 0 335.787 2.940 20 10 EFCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)c1 ZINC000295058839 475101119 /nfs/dbraw/zinc/10/11/19/475101119.db2.gz QDEROWMTHQYHKE-SFHVURJKSA-N 1 0 341.455 2.830 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@H](c2nccn2C)C(C)(C)CO)c(O)c1 ZINC000295078560 475101835 /nfs/dbraw/zinc/10/18/35/475101835.db2.gz QBWIPDKDGDRXPK-KRWDZBQOSA-N 1 0 347.459 2.764 20 10 EFCDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000287284445 475102477 /nfs/dbraw/zinc/10/24/77/475102477.db2.gz RRRGMOMIGSGJKJ-RHSMWYFYSA-N 1 0 348.466 2.660 20 10 EFCDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)C(C)C ZINC000295136084 475105928 /nfs/dbraw/zinc/10/59/28/475105928.db2.gz YTLVZHAWQMZWIW-AWEZNQCLSA-N 1 0 328.840 2.647 20 10 EFCDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000287357321 475111339 /nfs/dbraw/zinc/11/13/39/475111339.db2.gz XYYXHHRBTOZQLQ-GDBMZVCRSA-N 1 0 348.466 2.660 20 10 EFCDRO CN(C)C(=O)CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295268690 475117407 /nfs/dbraw/zinc/11/74/07/475117407.db2.gz VMDMDDRGFQGPAA-UHFFFAOYSA-N 1 0 331.485 2.952 20 10 EFCDRO C[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000295695586 475131701 /nfs/dbraw/zinc/13/17/01/475131701.db2.gz PCJMFGUBOJYYAI-NEPJUHHUSA-N 1 0 336.407 2.620 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)OCCO)c1O ZINC000287404325 475132981 /nfs/dbraw/zinc/13/29/81/475132981.db2.gz RCJYBEUREJSYJQ-NSHDSACASA-N 1 0 346.265 2.901 20 10 EFCDRO O=C(NCc1ccc(O)c(O)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000269093824 475169616 /nfs/dbraw/zinc/16/96/16/475169616.db2.gz MAKXEPZZJTYUJU-UHFFFAOYSA-N 1 0 340.423 2.626 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1F ZINC000281333671 475174649 /nfs/dbraw/zinc/17/46/49/475174649.db2.gz SFJPQUXZHNFVFD-ZBFHGGJFSA-N 1 0 335.423 2.602 20 10 EFCDRO Cc1noc(C)c1CN1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000292733458 475175305 /nfs/dbraw/zinc/17/53/05/475175305.db2.gz GTHRDJOBWUUXGD-UHFFFAOYSA-N 1 0 342.487 2.984 20 10 EFCDRO CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287572442 475200211 /nfs/dbraw/zinc/20/02/11/475200211.db2.gz GWQUXZRHCNYWNB-YOEHRIQHSA-N 1 0 339.911 2.970 20 10 EFCDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc(OC)c(COCC)c1 ZINC000292807993 475204476 /nfs/dbraw/zinc/20/44/76/475204476.db2.gz WCUCQDAURUGCKC-OAHLLOKOSA-N 1 0 336.476 2.874 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000349702867 475987639 /nfs/dbraw/zinc/98/76/39/475987639.db2.gz NMTZYTDETNGJFO-HIFRSBDPSA-N 1 0 340.471 2.911 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000349895449 476017115 /nfs/dbraw/zinc/01/71/15/476017115.db2.gz PMGUBHHCAZNHAR-GDBMZVCRSA-N 1 0 328.460 2.769 20 10 EFCDRO CC[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)[NH+](C)C ZINC000299102323 476134773 /nfs/dbraw/zinc/13/47/73/476134773.db2.gz WQTLQKTVQRTWEV-RTBURBONSA-N 1 0 347.503 2.600 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3C[C@]34CC[NH2+]C4)cc2)CC1 ZINC000368815317 476373573 /nfs/dbraw/zinc/37/35/73/476373573.db2.gz BLHMHLWBNOEKFG-ICSRJNTNSA-N 1 0 327.472 2.539 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)cc2)CC1 ZINC000368815316 476374345 /nfs/dbraw/zinc/37/43/45/476374345.db2.gz BLHMHLWBNOEKFG-AZUAARDMSA-N 1 0 327.472 2.539 20 10 EFCDRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(C)n1-c1ccccn1 ZINC000368926764 476380000 /nfs/dbraw/zinc/38/00/00/476380000.db2.gz QOBDVOMNNRIVOB-KRWDZBQOSA-N 1 0 338.455 2.799 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000374007869 476446788 /nfs/dbraw/zinc/44/67/88/476446788.db2.gz LKGHYYRJVVQGMI-QGZVFWFLSA-N 1 0 341.455 2.794 20 10 EFCDRO O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000374081919 476452732 /nfs/dbraw/zinc/45/27/32/476452732.db2.gz WEFRIJHYTUOCGT-CVEARBPZSA-N 1 0 343.471 2.697 20 10 EFCDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2O)cn1 ZINC000374258340 476465767 /nfs/dbraw/zinc/46/57/67/476465767.db2.gz VBHOZTNPKZZHPN-DOTOQJQBSA-N 1 0 335.835 2.867 20 10 EFCDRO O=C1C[C@H]([NH2+]Cc2cc(F)ccc2O)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000374899032 476581290 /nfs/dbraw/zinc/58/12/90/476581290.db2.gz RVLOBCXQMYBRJR-BZSNNMDCSA-N 1 0 340.398 2.778 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000377810744 476590850 /nfs/dbraw/zinc/59/08/50/476590850.db2.gz DPXOVQOIYICDHI-RBUKOAKNSA-N 1 0 329.488 2.785 20 10 EFCDRO CC(C)[C@]1(CO)CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000378129281 476684294 /nfs/dbraw/zinc/68/42/94/476684294.db2.gz LPIBJWZGZFKMJN-OAHLLOKOSA-N 1 0 328.250 2.995 20 10 EFCDRO CC(C)([NH3+])CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000370783491 476983122 /nfs/dbraw/zinc/98/31/22/476983122.db2.gz YWKDHUNXQZZVNY-UHFFFAOYSA-N 1 0 341.402 2.500 20 10 EFCDRO Cc1cnn(C)c1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000375767852 476996720 /nfs/dbraw/zinc/99/67/20/476996720.db2.gz JXKZAHYXBVQQNW-MRXNPFEDSA-N 1 0 348.878 2.842 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC3([NH+](C)C)CC3)ccc21 ZINC000416305385 477116672 /nfs/dbraw/zinc/11/66/72/477116672.db2.gz XDWUVHQIKCTGID-UHFFFAOYSA-N 1 0 343.471 2.729 20 10 EFCDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000376166689 477207494 /nfs/dbraw/zinc/20/74/94/477207494.db2.gz MSRLSBHKUCAKFQ-INIZCTEOSA-N 1 0 341.459 2.814 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH+]1CCC(OCC2CC2)CC1 ZINC000371338239 477255098 /nfs/dbraw/zinc/25/50/98/477255098.db2.gz ZRMNQPHHMYGLRH-UHFFFAOYSA-N 1 0 330.472 2.914 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418092972 477465849 /nfs/dbraw/zinc/46/58/49/477465849.db2.gz BGNNJZDKRRKRLO-FQEVSTJZSA-N 1 0 340.471 2.772 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000418096512 477466047 /nfs/dbraw/zinc/46/60/47/477466047.db2.gz IUOFISMZJVYNIN-UHFFFAOYSA-N 1 0 340.471 2.772 20 10 EFCDRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1c(C)c2ccccc2n1C ZINC000418105490 477466271 /nfs/dbraw/zinc/46/62/71/477466271.db2.gz ZSDHPDKEYDCYCD-OAHLLOKOSA-N 1 0 328.460 2.770 20 10 EFCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](n3cncn3)C2)c1O ZINC000377278736 477721923 /nfs/dbraw/zinc/72/19/23/477721923.db2.gz QZHNXMVAKYWODY-ZDUSSCGKSA-N 1 0 337.221 2.502 20 10 EFCDRO COCC1(C[NH2+]Cc2cc(Br)ccc2O)CCOCC1 ZINC000368186094 477790061 /nfs/dbraw/zinc/79/00/61/477790061.db2.gz PCVAJTHZYQRTFM-UHFFFAOYSA-N 1 0 344.249 2.688 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCCN3c4ccccc4C[C@H]3C1)OCO2 ZINC000368219107 477791733 /nfs/dbraw/zinc/79/17/33/477791733.db2.gz YZBUDMQUXXNEBP-INIZCTEOSA-N 1 0 338.407 2.758 20 10 EFCDRO COc1cc(Br)cc(C[NH+]2CC([C@H]3CCOC3)C2)c1O ZINC000368441241 477806538 /nfs/dbraw/zinc/80/65/38/477806538.db2.gz KVULZMIXOTUPBA-JTQLQIEISA-N 1 0 342.233 2.632 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000471671243 478008093 /nfs/dbraw/zinc/00/80/93/478008093.db2.gz MEEJHRCGYQRGOH-JKSUJKDBSA-N 1 0 340.471 2.913 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000561199928 478165726 /nfs/dbraw/zinc/16/57/26/478165726.db2.gz VFDMRUPTTQUDPB-DLBZAZTESA-N 1 0 340.471 2.674 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)ccc21 ZINC000581496166 478381017 /nfs/dbraw/zinc/38/10/17/478381017.db2.gz SPJOUJIRBSCPAB-WMLDXEAASA-N 1 0 343.471 2.714 20 10 EFCDRO COc1ccc([C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C2CC2)cn1 ZINC000527841447 478543465 /nfs/dbraw/zinc/54/34/65/478543465.db2.gz PFIGEBLLDKDLDX-SFHVURJKSA-N 1 0 328.368 2.765 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)ccc21 ZINC000583760167 478936513 /nfs/dbraw/zinc/93/65/13/478936513.db2.gz BYKAOPMOSMDNSQ-ACJLOTCBSA-N 1 0 343.471 2.714 20 10 EFCDRO C[C@@H]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c2c(O)cccc21 ZINC000592566362 478943422 /nfs/dbraw/zinc/94/34/22/478943422.db2.gz MBVCGAHPEVHKSL-OLZOCXBDSA-N 1 0 340.427 2.579 20 10 EFCDRO CCn1nncc1C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000529637847 479232711 /nfs/dbraw/zinc/23/27/11/479232711.db2.gz GGEIXVRCHFMFEO-UHFFFAOYSA-N 1 0 338.411 2.872 20 10 EFCDRO COCCc1noc(CC2CC[NH+](Cc3cc(F)ccc3O)CC2)n1 ZINC000529639413 479232735 /nfs/dbraw/zinc/23/27/35/479232735.db2.gz BNYJYFRWFUDCPX-UHFFFAOYSA-N 1 0 349.406 2.558 20 10 EFCDRO COc1cc(O)c(C[NH2+]Cc2ccc3cn(C)nc3c2)cc1OC ZINC000529639951 479233159 /nfs/dbraw/zinc/23/31/59/479233159.db2.gz FRCLDJPGFBXHEG-UHFFFAOYSA-N 1 0 327.384 2.586 20 10 EFCDRO CC[NH2+]CCCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000578663052 479609333 /nfs/dbraw/zinc/60/93/33/479609333.db2.gz KVLFGOPWBPTQBU-UHFFFAOYSA-N 1 0 331.460 2.634 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[C@H]([NH3+])CC3)ccc21 ZINC000639030611 480932097 /nfs/dbraw/zinc/93/20/97/480932097.db2.gz AULMJCFRYMCLCN-QAQDUYKDSA-N 1 0 343.471 2.904 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3CCC[NH2+]C3)ccc21 ZINC000653046277 481045206 /nfs/dbraw/zinc/04/52/06/481045206.db2.gz RGPPPWWKXMTQKP-INIZCTEOSA-N 1 0 343.471 2.634 20 10 EFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C)CCC[NH3+])CCCC1 ZINC000653144161 481106430 /nfs/dbraw/zinc/10/64/30/481106430.db2.gz FNLGGEJXCXFVQU-AWEZNQCLSA-N 1 0 343.471 2.772 20 10 EFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C)C[C@H](C)[NH3+])CCCC1 ZINC000653166806 481121879 /nfs/dbraw/zinc/12/18/79/481121879.db2.gz WZZAANJHHQJXER-KBPBESRZSA-N 1 0 343.471 2.771 20 10 EFCDRO CC(=O)Nc1cccc2c1CCCN2C(=O)c1cccc2c1CC[NH2+]C2 ZINC000662524555 481858931 /nfs/dbraw/zinc/85/89/31/481858931.db2.gz YIFXSGJRQXWQMT-UHFFFAOYSA-N 1 0 349.434 2.884 20 10 EFCDRO COc1ccc(N(C)C(=O)c2cccc3c2CC[NH2+]C3)cc1OC ZINC000662537995 481865724 /nfs/dbraw/zinc/86/57/24/481865724.db2.gz SMURZMWWMVNJTN-UHFFFAOYSA-N 1 0 326.396 2.626 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N(C)CC(C)(C)[NH3+])ccc21 ZINC000662844539 481993514 /nfs/dbraw/zinc/99/35/14/481993514.db2.gz DCSYDNWPJDHVIT-UHFFFAOYSA-N 1 0 331.460 2.714 20 10 EFCDRO Fc1cc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1N1CCOCC1 ZINC000159532567 534442411 /nfs/dbraw/zinc/44/24/11/534442411.db2.gz ORSXVFROPHRKTI-MNEFBYGVSA-N 1 0 346.446 2.710 20 10 EFCDRO Fc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1N1CCOCC1 ZINC000159532161 534440052 /nfs/dbraw/zinc/44/00/52/534440052.db2.gz ORSXVFROPHRKTI-IPELMVKDSA-N 1 0 346.446 2.710 20 10 EFCDRO Fc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1N1CCOCC1 ZINC000159532429 534440228 /nfs/dbraw/zinc/44/02/28/534440228.db2.gz ORSXVFROPHRKTI-LZQZEXGQSA-N 1 0 346.446 2.710 20 10 EFCDRO CC[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1cc(Br)ccc1O ZINC000036977303 522922927 /nfs/dbraw/zinc/92/29/27/522922927.db2.gz SEIXQVHPPBRQNL-CHWSQXEVSA-N 1 0 341.249 2.864 20 10 EFCDRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000178538133 534850072 /nfs/dbraw/zinc/85/00/72/534850072.db2.gz ZGIVTTHVHDFOKB-HNNXBMFYSA-N 1 0 342.487 2.788 20 10 EFCDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000237129038 536457195 /nfs/dbraw/zinc/45/71/95/536457195.db2.gz CNKUDSHQQPKTPM-KRWDZBQOSA-N 1 0 341.455 2.927 20 10 EFCDRO CCOC(=O)COc1ccc(CC[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000174643136 528841667 /nfs/dbraw/zinc/84/16/67/528841667.db2.gz XMIYIBKXVFBBLA-UHFFFAOYSA-N 1 0 343.423 2.975 20 10 EFCDRO CCN1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000159278690 528988046 /nfs/dbraw/zinc/98/80/46/528988046.db2.gz HLHTWGWFGJMIRS-HNNXBMFYSA-N 1 0 335.467 2.797 20 10 EFCDRO CCCC[N@H+](C)CC1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000295829309 535213940 /nfs/dbraw/zinc/21/39/40/535213940.db2.gz MLSHLEOXTCDRBF-UHFFFAOYSA-N 1 0 338.423 2.821 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]CCC(=O)NCc2cccnc2)cc1 ZINC000236916286 535686162 /nfs/dbraw/zinc/68/61/62/535686162.db2.gz RSMFGQKONNRDCK-UHFFFAOYSA-N 1 0 340.471 2.724 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000263722462 535751401 /nfs/dbraw/zinc/75/14/01/535751401.db2.gz WNXLOKLRKYDWNL-GOSISDBHSA-N 1 0 340.423 2.682 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@](C)(CC(=O)OC)c2ccncc2)c1 ZINC000191906909 535751527 /nfs/dbraw/zinc/75/15/27/535751527.db2.gz KQUGGGSVQOJEGR-LJQANCHMSA-N 1 0 344.411 2.754 20 10 EFCDRO CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1[O-] ZINC000367616616 535808455 /nfs/dbraw/zinc/80/84/55/535808455.db2.gz LQSUHNKRYSRYSJ-CRAIPNDOSA-N 1 0 335.467 2.741 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CC[NH2+]C[C@H]3C)c2C)cc1 ZINC000262716942 536552201 /nfs/dbraw/zinc/55/22/01/536552201.db2.gz DTBAQMHAYDMDSM-YJYMSZOUSA-N 1 0 341.455 2.831 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CC[NH2+][C@H](C)C3)c2C)cc1 ZINC000262893787 536552252 /nfs/dbraw/zinc/55/22/52/536552252.db2.gz OUZRIAMIUXMLGO-CJNGLKHVSA-N 1 0 341.455 2.973 20 10 EFCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)Cc3ccccc3)CC2)cc1 ZINC000249737373 536671300 /nfs/dbraw/zinc/67/13/00/536671300.db2.gz WLQVNBWZWJKVFI-FQEVSTJZSA-N 1 0 340.467 2.811 20 10 EFCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000303115271 536671378 /nfs/dbraw/zinc/67/13/78/536671378.db2.gz RQMSSSIPZRZGIX-HXUWFJFHSA-N 1 0 326.440 2.941 20 10 EFCDRO COC1CCN(c2ccc(C[NH+]3CCC(C)(CO)CC3)cc2)CC1 ZINC000295644455 536755399 /nfs/dbraw/zinc/75/53/99/536755399.db2.gz CLIKEBXLGPHTJA-UHFFFAOYSA-N 1 0 332.488 2.896 20 10 EFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@](F)(CO)C3)cc2)CC1 ZINC000296030590 536755560 /nfs/dbraw/zinc/75/55/60/536755560.db2.gz RXUGQRPFBDVACC-LJQANCHMSA-N 1 0 336.451 2.598 20 10 EFCDRO COC1CCN(c2ccc(C[N@H+](C)CCc3noc(C)n3)cc2)CC1 ZINC000295645987 536756194 /nfs/dbraw/zinc/75/61/94/536756194.db2.gz FOHUGQKLIOKUAZ-UHFFFAOYSA-N 1 0 344.459 2.668 20 10 EFCDRO C[C@H]([NH2+]Cc1ccnc(N(C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000754138082 575396558 /nfs/dbraw/zinc/39/65/58/575396558.db2.gz ZJUCRMNVIXUSDJ-INIZCTEOSA-N 1 0 340.471 2.835 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccnc(N(C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000754138084 575397036 /nfs/dbraw/zinc/39/70/36/575397036.db2.gz ZJUCRMNVIXUSDJ-MRXNPFEDSA-N 1 0 340.471 2.835 20 10 EFCDRO COc1cc(C[NH+]2CCC(NC(C)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000754720154 575476937 /nfs/dbraw/zinc/47/69/37/575476937.db2.gz LKEJUXPVMPLWOW-UHFFFAOYSA-N 1 0 334.460 2.799 20 10 EFCDRO Cc1cc(C)c(O)c(C[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000754726629 575478278 /nfs/dbraw/zinc/47/82/78/575478278.db2.gz UDPAGTWARACAJT-CYBMUJFWSA-N 1 0 330.350 2.604 20 10 EFCDRO COc1cc(C[NH+]2CCC3(CNC(=O)C3)CC2)c(O)c(C(C)(C)C)c1 ZINC000754735831 575480346 /nfs/dbraw/zinc/48/03/46/575480346.db2.gz DDKYSBNGERSJEP-UHFFFAOYSA-N 1 0 346.471 2.800 20 10 EFCDRO CNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000756434602 575738489 /nfs/dbraw/zinc/73/84/89/575738489.db2.gz NUZFMHZSVDPHBT-CQSZACIVSA-N 1 0 328.412 2.676 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c2cnn3CCO)c2c1c(F)ccc2O ZINC000756459903 575742571 /nfs/dbraw/zinc/74/25/71/575742571.db2.gz QBQACAXAQITHQO-BYCMXARLSA-N 1 0 345.418 2.936 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COc2cccc(F)c2)c1 ZINC000756462104 575742873 /nfs/dbraw/zinc/74/28/73/575742873.db2.gz YXMLHFDQKSEODT-OCCSQVGLSA-N 1 0 335.375 2.630 20 10 EFCDRO C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(Br)cc1O ZINC000756531606 575756300 /nfs/dbraw/zinc/75/63/00/575756300.db2.gz AJNMZGKIRZUSHE-NEPJUHHUSA-N 1 0 343.265 2.526 20 10 EFCDRO CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756535862 575756683 /nfs/dbraw/zinc/75/66/83/575756683.db2.gz RXTYBHPAACSUHG-ZIAGYGMSSA-N 1 0 341.446 2.595 20 10 EFCDRO C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1cc(Br)ccc1O ZINC000756545502 575759008 /nfs/dbraw/zinc/75/90/08/575759008.db2.gz MRKPSKJZVQSMOA-VXGBXAGGSA-N 1 0 343.265 2.526 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c(O)c1 ZINC000756558438 575761869 /nfs/dbraw/zinc/76/18/69/575761869.db2.gz ZQDMXILRWGDLKB-CQSZACIVSA-N 1 0 349.452 2.834 20 10 EFCDRO C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(Br)ccc1O ZINC000756561315 575762606 /nfs/dbraw/zinc/76/26/06/575762606.db2.gz ARINEWBTOQSZDU-NEPJUHHUSA-N 1 0 344.249 2.858 20 10 EFCDRO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(F)cc(F)c1[O-] ZINC000756562967 575762829 /nfs/dbraw/zinc/76/28/29/575762829.db2.gz KJQXMMHWFLLCRI-OCCSQVGLSA-N 1 0 328.403 2.558 20 10 EFCDRO C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc(Br)cc1O ZINC000756562628 575762874 /nfs/dbraw/zinc/76/28/74/575762874.db2.gz HCLGGSZHWSWETR-RYUDHWBXSA-N 1 0 344.249 2.858 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cc2c(cc1O)CCCC2 ZINC000756640856 575771813 /nfs/dbraw/zinc/77/18/13/575771813.db2.gz PYXSGQKOKWFPDX-LBPRGKRZSA-N 1 0 325.412 2.616 20 10 EFCDRO C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c2c1c(F)ccc2O ZINC000756709434 575779664 /nfs/dbraw/zinc/77/96/64/575779664.db2.gz ZKRXUMJPTARLLJ-JQWIXIFHSA-N 1 0 329.437 2.883 20 10 EFCDRO COCCOC[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000756731435 575782000 /nfs/dbraw/zinc/78/20/00/575782000.db2.gz AKRMQSPXKMSZBL-GHMZBOCLSA-N 1 0 332.238 2.857 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)[C@H]1CN(C)CCO1 ZINC000756756970 575784436 /nfs/dbraw/zinc/78/44/36/575784436.db2.gz BDLQHRRAMSGUNN-FIXISWKDSA-N 1 0 343.265 2.524 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000756763773 575785195 /nfs/dbraw/zinc/78/51/95/575785195.db2.gz YSLYNQLPNBJQJZ-CXAGYDPISA-N 1 0 332.444 2.985 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c(O)c1C ZINC000756839045 575790800 /nfs/dbraw/zinc/79/08/00/575790800.db2.gz PTSGWRMMULNUNB-RVSPLBMKSA-N 1 0 342.443 2.587 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)c2c1c(F)ccc2O ZINC000756863709 575794665 /nfs/dbraw/zinc/79/46/65/575794665.db2.gz KIHNTOYRHKVOBV-DYEKYZERSA-N 1 0 337.391 2.591 20 10 EFCDRO COc1cc(C)nc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000757080217 575819339 /nfs/dbraw/zinc/81/93/39/575819339.db2.gz CQCFNTGLMFVSFI-UHFFFAOYSA-N 1 0 341.455 2.867 20 10 EFCDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000757628536 575846103 /nfs/dbraw/zinc/84/61/03/575846103.db2.gz YHDKOQKMZAQWLU-HNAYVOBHSA-N 1 0 342.487 2.569 20 10 EFCDRO C[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000757657920 575848072 /nfs/dbraw/zinc/84/80/72/575848072.db2.gz UHGCRAULODOZCX-BBRMVZONSA-N 1 0 337.485 2.889 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1cc(F)ccc1O ZINC000757659706 575848162 /nfs/dbraw/zinc/84/81/62/575848162.db2.gz ZLFIWYVDCVPENS-DYVFJYSZSA-N 1 0 343.402 2.768 20 10 EFCDRO C[C@H]([NH2+]C1COC(C)(C)OC1)c1ccc(Br)cc1O ZINC000757705546 575850926 /nfs/dbraw/zinc/85/09/26/575850926.db2.gz OSOKYNIOOGBIJI-VIFPVBQESA-N 1 0 330.222 2.957 20 10 EFCDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000757917651 575855747 /nfs/dbraw/zinc/85/57/47/575855747.db2.gz NCIILWBRSPLGDG-UHFFFAOYSA-N 1 0 345.418 2.698 20 10 EFCDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000757923237 575855864 /nfs/dbraw/zinc/85/58/64/575855864.db2.gz FMKKIYFZVPFYON-LJQANCHMSA-N 1 0 334.460 2.735 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000758003160 575857776 /nfs/dbraw/zinc/85/77/76/575857776.db2.gz KQNCJDQIQCIUPH-KRWDZBQOSA-N 1 0 335.517 2.538 20 10 EFCDRO OC[C@@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)C[C@@H]1c1ccc(F)cc1 ZINC000758526213 575871627 /nfs/dbraw/zinc/87/16/27/575871627.db2.gz FMAOFEHXUHLAMM-BEFAXECRSA-N 1 0 345.370 2.516 20 10 EFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000758730514 575876454 /nfs/dbraw/zinc/87/64/54/575876454.db2.gz UAXROUYPSGHLOG-HNNXBMFYSA-N 1 0 336.455 2.565 20 10 EFCDRO Oc1cc2c(cc1C[NH+]1CCN(c3ncc(F)cn3)CC1)CCCC2 ZINC000758984162 575882014 /nfs/dbraw/zinc/88/20/14/575882014.db2.gz UYJFQXYGJHEHHH-UHFFFAOYSA-N 1 0 342.418 2.522 20 10 EFCDRO C[C@H]([NH2+][C@@H](CO)CC(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000760035699 575974285 /nfs/dbraw/zinc/97/42/85/575974285.db2.gz CPNWACIUHVKMFS-NWDGAFQWSA-N 1 0 348.821 2.843 20 10 EFCDRO C[NH+]1CCC(CNC(=S)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000760485546 576032239 /nfs/dbraw/zinc/03/22/39/576032239.db2.gz IGHVIKXLTOYZQE-UHFFFAOYSA-N 1 0 347.528 2.577 20 10 EFCDRO CCc1ccc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)o1 ZINC000760654820 576058274 /nfs/dbraw/zinc/05/82/74/576058274.db2.gz BLDIPTFXSNFKSK-MRXNPFEDSA-N 1 0 341.455 2.834 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+](C)CC[C@H]2CCS(=O)(=O)C2)cc1 ZINC000760807626 576076358 /nfs/dbraw/zinc/07/63/58/576076358.db2.gz GQTXVNQZLQVHPZ-KRWDZBQOSA-N 1 0 338.517 2.789 20 10 EFCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000760883219 576084526 /nfs/dbraw/zinc/08/45/26/576084526.db2.gz ARZXGWAAWMSTEI-VZJVUDMVSA-N 1 0 344.249 2.999 20 10 EFCDRO CN(C)c1ccc(CN(C(=O)C[N@H+](C)[C@@H]2CCSC2)C2CC2)cc1 ZINC000760888168 576085206 /nfs/dbraw/zinc/08/52/06/576085206.db2.gz RNRCWTLWHJWSMO-GOSISDBHSA-N 1 0 347.528 2.681 20 10 EFCDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)cc(OC)c1O)CC2 ZINC000761202831 576128935 /nfs/dbraw/zinc/12/89/35/576128935.db2.gz NWWNVBCVKIULNH-ZDUSSCGKSA-N 1 0 339.819 2.829 20 10 EFCDRO CC[NH+](CC)Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)o1 ZINC000762263187 576282586 /nfs/dbraw/zinc/28/25/86/576282586.db2.gz ATHXVUNKPRWBSV-UHFFFAOYSA-N 1 0 332.400 2.505 20 10 EFCDRO Cn1nccc1CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000762556725 576313117 /nfs/dbraw/zinc/31/31/17/576313117.db2.gz OKMFLCLPMHMVPK-UHFFFAOYSA-N 1 0 343.431 2.651 20 10 EFCDRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(Br)cc2O)CCOC1 ZINC000763572741 576381634 /nfs/dbraw/zinc/38/16/34/576381634.db2.gz OKTRXGRMQVOFCU-IINYFYTJSA-N 1 0 330.222 2.611 20 10 EFCDRO COc1ccc(O)c(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1 ZINC000763444509 576377650 /nfs/dbraw/zinc/37/76/50/576377650.db2.gz PDAJXUWEVKZEMU-MJGOQNOKSA-N 1 0 331.387 2.796 20 10 EFCDRO COc1ccc(N2CCC[N@H+](CCCc3nc(C)no3)CC2)cc1 ZINC000763494230 576379265 /nfs/dbraw/zinc/37/92/65/576379265.db2.gz ZKVPSXZYFIWXKR-UHFFFAOYSA-N 1 0 330.432 2.532 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]Cc2ccc(F)cn2)c1O ZINC000763519573 576379953 /nfs/dbraw/zinc/37/99/53/576379953.db2.gz UHGRNKVOMOSMBO-UHFFFAOYSA-N 1 0 341.180 2.987 20 10 EFCDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000763606748 576382501 /nfs/dbraw/zinc/38/25/01/576382501.db2.gz PCPUJRQKZVESHX-KRWDZBQOSA-N 1 0 335.467 2.578 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000764849893 576511822 /nfs/dbraw/zinc/51/18/22/576511822.db2.gz IVAAGOKGZCUZBA-LJQANCHMSA-N 1 0 344.503 2.877 20 10 EFCDRO C[N@H+](CCCc1ccncc1)Cc1ccc(N2CCOCC2)cc1 ZINC000764956542 576528643 /nfs/dbraw/zinc/52/86/43/576528643.db2.gz VWKQZHQROANUAU-UHFFFAOYSA-N 1 0 325.456 2.983 20 10 EFCDRO Cc1nccn1CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765140866 577011756 /nfs/dbraw/zinc/01/17/56/577011756.db2.gz HGVONDDUCFYZON-INIZCTEOSA-N 1 0 328.460 2.769 20 10 EFCDRO COC[C@@H](CC(C)C)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000765244503 577022923 /nfs/dbraw/zinc/02/29/23/577022923.db2.gz MZRCDOPEDNICTM-ZWKOTPCHSA-N 1 0 347.503 2.539 20 10 EFCDRO O=S(=O)(CC[NH2+]Cc1cc(-c2ccccc2)ccc1O)CC1CC1 ZINC000765276716 577025851 /nfs/dbraw/zinc/02/58/51/577025851.db2.gz NNECBRAJXCHAJR-UHFFFAOYSA-N 1 0 345.464 2.974 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3ncc(Cl)n3C)CC2)cc1 ZINC000765625806 577060573 /nfs/dbraw/zinc/06/05/73/577060573.db2.gz BNJPCQRCBWIOPK-UHFFFAOYSA-N 1 0 334.851 2.841 20 10 EFCDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1C ZINC000765660972 577063723 /nfs/dbraw/zinc/06/37/23/577063723.db2.gz WQBIKBXXXUKJMH-DLBZAZTESA-N 1 0 344.503 2.911 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000765733298 577071497 /nfs/dbraw/zinc/07/14/97/577071497.db2.gz WOWLQAFWMLRASI-UZLBHIALSA-N 1 0 328.456 2.981 20 10 EFCDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1cccc(Br)c1O ZINC000765770884 577074716 /nfs/dbraw/zinc/07/47/16/577074716.db2.gz RUZCMJSARLUVQO-GHMZBOCLSA-N 1 0 341.249 2.644 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765781183 577076386 /nfs/dbraw/zinc/07/63/86/577076386.db2.gz OBJWXSGJWFTIEF-HOCLYGCPSA-N 1 0 333.451 2.550 20 10 EFCDRO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978027 577094219 /nfs/dbraw/zinc/09/42/19/577094219.db2.gz BKHZWDPXYUGOCV-KRWDZBQOSA-N 1 0 336.501 2.590 20 10 EFCDRO COC(=O)c1ccc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000766002058 577097273 /nfs/dbraw/zinc/09/72/73/577097273.db2.gz NVHYPJULHSZOON-UHFFFAOYSA-N 1 0 344.411 2.833 20 10 EFCDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@H]1C ZINC000766250924 577127235 /nfs/dbraw/zinc/12/72/35/577127235.db2.gz LUWPDQXVVGKYEA-HZPDHXFCSA-N 1 0 344.503 2.693 20 10 EFCDRO C[C@H]([NH2+]CCN1CCC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766270202 577129133 /nfs/dbraw/zinc/12/91/33/577129133.db2.gz PCSYMUFJZLKAIP-CVEARBPZSA-N 1 0 335.467 2.797 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@]3(N(C)C)CCSC3)CC2)cc1 ZINC000766437517 577149890 /nfs/dbraw/zinc/14/98/90/577149890.db2.gz CYWMDJBPSQQDLV-LJQANCHMSA-N 1 0 349.544 2.691 20 10 EFCDRO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000766666711 577175961 /nfs/dbraw/zinc/17/59/61/577175961.db2.gz FIDOIEHUQHZXIR-QGZVFWFLSA-N 1 0 337.485 2.670 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccn1 ZINC000766726633 577179872 /nfs/dbraw/zinc/17/98/72/577179872.db2.gz VSSYADKEDJDGLQ-WBVHZDCISA-N 1 0 338.455 2.634 20 10 EFCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCO[C@@H]1C1CC1 ZINC000767196102 577199489 /nfs/dbraw/zinc/19/94/89/577199489.db2.gz RXYVBROIWASSOB-WOJBJXKFSA-N 1 0 348.462 2.957 20 10 EFCDRO CCOc1cccc(C[NH2+]CC(=O)Nc2ccc(F)c(F)c2)c1O ZINC000725841787 577243759 /nfs/dbraw/zinc/24/37/59/577243759.db2.gz NJUUIPUERCCPFF-UHFFFAOYSA-N 1 0 336.338 2.797 20 10 EFCDRO CCOc1ccc(C[NH2+]CC(=O)N2CCCc3ccccc32)c(O)c1 ZINC000725848820 577248789 /nfs/dbraw/zinc/24/87/89/577248789.db2.gz KDNXIOMMFABOMW-UHFFFAOYSA-N 1 0 340.423 2.860 20 10 EFCDRO O=C(C[NH2+]Cc1cc(-c2ccccc2)ccc1O)NCC(F)(F)F ZINC000725849271 577249357 /nfs/dbraw/zinc/24/93/57/577249357.db2.gz CGKJKLPKNORANY-UHFFFAOYSA-N 1 0 338.329 2.827 20 10 EFCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H](O)COCC1CC1 ZINC000725850181 577249976 /nfs/dbraw/zinc/24/99/76/577249976.db2.gz PEBQCPYGDBCWFS-LJQANCHMSA-N 1 0 327.424 2.936 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000768218432 577261368 /nfs/dbraw/zinc/26/13/68/577261368.db2.gz NXEODHCEAXDXFV-CQSZACIVSA-N 1 0 338.411 2.823 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000768248439 577262623 /nfs/dbraw/zinc/26/26/23/577262623.db2.gz DQUGFAUOBYQBEO-CYBMUJFWSA-N 1 0 336.432 2.842 20 10 EFCDRO COc1cc(C[NH+]2CCC(C(=O)NCC(C)C)CC2)c(O)cc1C ZINC000768440032 577273353 /nfs/dbraw/zinc/27/33/53/577273353.db2.gz CPCFWBNLNLCVCJ-UHFFFAOYSA-N 1 0 334.460 2.693 20 10 EFCDRO COCC[N@H+](CCc1ccccc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439768 577273393 /nfs/dbraw/zinc/27/33/93/577273393.db2.gz JPJFZNFRFZLFBN-LJQANCHMSA-N 1 0 343.423 2.509 20 10 EFCDRO CC(C)CCOC1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768439927 577273448 /nfs/dbraw/zinc/27/34/48/577273448.db2.gz QCKKNVNDKBSZCQ-SFHVURJKSA-N 1 0 335.444 2.845 20 10 EFCDRO C[N@H+](CCOc1ccc(Cl)cc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768437819 577273454 /nfs/dbraw/zinc/27/34/54/577273454.db2.gz JOVSXOCTTGBBLC-QGZVFWFLSA-N 1 0 349.814 2.982 20 10 EFCDRO COCC[N@H+](CCc1ccccc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768439766 577273548 /nfs/dbraw/zinc/27/35/48/577273548.db2.gz JPJFZNFRFZLFBN-IBGZPJMESA-N 1 0 343.423 2.509 20 10 EFCDRO C[N@H+](CCOc1cccc(Cl)c1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768440606 577273834 /nfs/dbraw/zinc/27/38/34/577273834.db2.gz ASQZMKASHKOLRU-QGZVFWFLSA-N 1 0 349.814 2.982 20 10 EFCDRO C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C[C@H]1OCCc2ccccc21 ZINC000768444665 577274183 /nfs/dbraw/zinc/27/41/83/577274183.db2.gz NGCDLVRVHPRSRC-AZUAARDMSA-N 1 0 341.407 2.564 20 10 EFCDRO Cc1cccc(OCC[N@@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)c1 ZINC000768446483 577274547 /nfs/dbraw/zinc/27/45/47/577274547.db2.gz YEBNSRCFLNWLDS-GOSISDBHSA-N 1 0 329.396 2.637 20 10 EFCDRO COc1ccccc1[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768448352 577274847 /nfs/dbraw/zinc/27/48/47/577274847.db2.gz UMMUVAWGJLRVJU-UGSOOPFHSA-N 1 0 341.407 2.816 20 10 EFCDRO COc1ccc2c(c1)CCC[N@@H+](Cc1cc3c(cc1O)OC[C@H]3O)C2 ZINC000768449412 577275062 /nfs/dbraw/zinc/27/50/62/577275062.db2.gz GTFLKONEWREGPM-LJQANCHMSA-N 1 0 341.407 2.775 20 10 EFCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)C12CCC2 ZINC000768461286 577275604 /nfs/dbraw/zinc/27/56/04/577275604.db2.gz ACLQZKFJCBQSOP-BPQIPLTHSA-N 1 0 333.428 2.598 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1CN1CCOCC1)CCCC2 ZINC000768466570 577276499 /nfs/dbraw/zinc/27/64/99/577276499.db2.gz SBOYSIIMZKRUMI-IBGZPJMESA-N 1 0 330.472 2.568 20 10 EFCDRO CCOC(=O)[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC000768523699 577280580 /nfs/dbraw/zinc/28/05/80/577280580.db2.gz GCTUHMSUJDRVAS-GOSISDBHSA-N 1 0 347.503 2.506 20 10 EFCDRO CC(C)C[N@H+](CC(N)=O)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768532385 577280954 /nfs/dbraw/zinc/28/09/54/577280954.db2.gz CUPCRAJBIRIYPK-UHFFFAOYSA-N 1 0 348.447 2.528 20 10 EFCDRO C[C@H](Cn1cccn1)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768689508 577295252 /nfs/dbraw/zinc/29/52/52/577295252.db2.gz HZRMADAOIOLBDA-RHSMWYFYSA-N 1 0 348.878 2.885 20 10 EFCDRO CCOc1ccc(C[N@H+](CCO)Cc2ccccc2OC)c(O)c1 ZINC000768761773 577299391 /nfs/dbraw/zinc/29/93/91/577299391.db2.gz MFJZBNAZAQAXCV-UHFFFAOYSA-N 1 0 331.412 2.794 20 10 EFCDRO CC(C)N(C)C(=O)C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000768872616 577312530 /nfs/dbraw/zinc/31/25/30/577312530.db2.gz QLHCYZBYSXZZRP-UHFFFAOYSA-N 1 0 335.467 2.971 20 10 EFCDRO CCOc1cccc(N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000768893937 577314811 /nfs/dbraw/zinc/31/48/11/577314811.db2.gz VSAFVHXCXOXCMS-UHFFFAOYSA-N 1 0 340.471 2.869 20 10 EFCDRO Fc1cc(C[NH+]2CCC(c3cn[nH]c3)CC2)ccc1N1CCOCC1 ZINC000769005019 577323769 /nfs/dbraw/zinc/32/37/69/577323769.db2.gz ULKLJKMMZNKHGC-UHFFFAOYSA-N 1 0 344.434 2.765 20 10 EFCDRO c1cn([C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)cn1 ZINC000769310660 577351236 /nfs/dbraw/zinc/35/12/36/577351236.db2.gz IYNSLQJAINJBOZ-IBGZPJMESA-N 1 0 326.444 2.557 20 10 EFCDRO Fc1cc(CN2CC[C@H]([NH+]3CCCCC3)C2)ccc1N1CCOCC1 ZINC000769329768 577352653 /nfs/dbraw/zinc/35/26/53/577352653.db2.gz MQYPDPSECMXWLX-SFHVURJKSA-N 1 0 347.478 2.723 20 10 EFCDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCc2ccccc2O)C1 ZINC000726237062 577357317 /nfs/dbraw/zinc/35/73/17/577357317.db2.gz JHTMBZRLSKOUPB-HUUCEWRRSA-N 1 0 333.476 2.948 20 10 EFCDRO CC[NH+]1CCC(CNC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000726249041 577357761 /nfs/dbraw/zinc/35/77/61/577357761.db2.gz CJRJCDQUVCIGCC-UHFFFAOYSA-N 1 0 344.503 2.600 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH+](CCCCO)CC2)cc1F ZINC000769395838 577358587 /nfs/dbraw/zinc/35/85/87/577358587.db2.gz QKJYYNVGWYDHHT-UHFFFAOYSA-N 1 0 337.483 2.562 20 10 EFCDRO C[NH+](C)C[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769405376 577360177 /nfs/dbraw/zinc/36/01/77/577360177.db2.gz UTWNUCZSQZMSBN-QGZVFWFLSA-N 1 0 346.475 2.969 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC(N3CCCCC3=O)CC2)c(O)c1 ZINC000769506270 577368196 /nfs/dbraw/zinc/36/81/96/577368196.db2.gz GKTWTBHWJYRSAP-UHFFFAOYSA-N 1 0 332.444 2.768 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCCN(c3nc(C)ns3)CC2)c(O)c1 ZINC000769505912 577368234 /nfs/dbraw/zinc/36/82/34/577368234.db2.gz QUQFZHXWPMQIIC-UHFFFAOYSA-N 1 0 348.472 2.663 20 10 EFCDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N(CC)CC)c(F)c2)C1 ZINC000769939666 577394628 /nfs/dbraw/zinc/39/46/28/577394628.db2.gz QGHKLDSSCKPLJH-OAHLLOKOSA-N 1 0 337.439 2.992 20 10 EFCDRO CCC[C@@H]1CN(Cc2c(O)cccc2Cl)CC[N@@H+]1CCOC ZINC000770284476 577409907 /nfs/dbraw/zinc/40/99/07/577409907.db2.gz RLVUDTKUNDPXLD-CQSZACIVSA-N 1 0 326.868 2.978 20 10 EFCDRO Cc1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c(O)c1O ZINC000771505920 581219521 /nfs/dbraw/zinc/21/95/21/581219521.db2.gz DPUNXQPIYTWFDZ-XJKSGUPXSA-N 1 0 328.412 2.827 20 10 EFCDRO COC[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccco1 ZINC000771841856 581249652 /nfs/dbraw/zinc/24/96/52/581249652.db2.gz GGMZCORZRXLURM-GOSISDBHSA-N 1 0 329.444 2.509 20 10 EFCDRO CSc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC000771882088 581254384 /nfs/dbraw/zinc/25/43/84/581254384.db2.gz QSWJCBSXPFMQAY-UHFFFAOYSA-N 1 0 329.469 2.930 20 10 EFCDRO CC[NH+](CC)CCOC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000772298971 581305177 /nfs/dbraw/zinc/30/51/77/581305177.db2.gz AAHYSAZXMQZPCE-UHFFFAOYSA-N 1 0 333.457 2.815 20 10 EFCDRO CCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773129788 581399382 /nfs/dbraw/zinc/39/93/82/581399382.db2.gz OIZIQMFEHOYMRL-OAHLLOKOSA-N 1 0 332.492 2.987 20 10 EFCDRO C[C@@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773217069 581406482 /nfs/dbraw/zinc/40/64/82/581406482.db2.gz HCSHXDOBCGKRSY-HZPDHXFCSA-N 1 0 332.492 2.845 20 10 EFCDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773360731 581423103 /nfs/dbraw/zinc/42/31/03/581423103.db2.gz GWRQKENZHWRICM-CVEARBPZSA-N 1 0 332.492 2.987 20 10 EFCDRO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773365827 581423510 /nfs/dbraw/zinc/42/35/10/581423510.db2.gz ZYMJUCAYKMPDRC-CABCVRRESA-N 1 0 330.476 2.597 20 10 EFCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773369235 581423720 /nfs/dbraw/zinc/42/37/20/581423720.db2.gz CKZAHQUDDRKURG-HOTGVXAUSA-N 1 0 332.492 2.845 20 10 EFCDRO CC[NH+]1CCC(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773371443 581424040 /nfs/dbraw/zinc/42/40/40/581424040.db2.gz KMGKEWORTPUHIC-HNNXBMFYSA-N 1 0 332.492 2.845 20 10 EFCDRO Cc1cc(C(=O)NOC2CC[NH+](C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000773549526 581443824 /nfs/dbraw/zinc/44/38/24/581443824.db2.gz BVCMKVRKIZEJOR-UHFFFAOYSA-N 1 0 345.418 2.989 20 10 EFCDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000773612892 581450396 /nfs/dbraw/zinc/45/03/96/581450396.db2.gz NDNSRBZHRCNNHE-ZVZYQTTQSA-N 1 0 330.476 2.740 20 10 EFCDRO CCN(C)c1ccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)cc1 ZINC000773831266 581467253 /nfs/dbraw/zinc/46/72/53/581467253.db2.gz ILIJOBGOQHSDAN-UHFFFAOYSA-N 1 0 328.435 2.999 20 10 EFCDRO CCN(C)c1ccc(C[N@@H+]2CCN(C(=O)N(C)C)CC2(C)C)cc1 ZINC000773834832 581467767 /nfs/dbraw/zinc/46/77/67/581467767.db2.gz VBYQADQBPOIXAA-UHFFFAOYSA-N 1 0 332.492 2.721 20 10 EFCDRO CCN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000773887141 581472105 /nfs/dbraw/zinc/47/21/05/581472105.db2.gz BNJCANAHGYUEMZ-UXHICEINSA-N 1 0 331.504 2.876 20 10 EFCDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000774161479 581486218 /nfs/dbraw/zinc/48/62/18/581486218.db2.gz NMBRVKIVAILEOU-HZPDHXFCSA-N 1 0 342.399 3.000 20 10 EFCDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000774161474 581486240 /nfs/dbraw/zinc/48/62/40/581486240.db2.gz NMBRVKIVAILEOU-HOTGVXAUSA-N 1 0 342.399 3.000 20 10 EFCDRO C[C@@H]([NH2+][C@@H](Cc1ccc(F)cc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774483787 581492606 /nfs/dbraw/zinc/49/26/06/581492606.db2.gz LZNZSFMPELZSDY-ACJLOTCBSA-N 1 0 329.419 2.639 20 10 EFCDRO COc1c(O)c(C[N@@H+](Cc2ccccc2)C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000774839868 581502032 /nfs/dbraw/zinc/50/20/32/581502032.db2.gz FOQONRGGKBFFOX-ZDUSSCGKSA-N 1 0 346.383 2.692 20 10 EFCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000738400827 598315605 /nfs/dbraw/zinc/31/56/05/598315605.db2.gz LCUVOFYDMIGIIW-UHFFFAOYSA-N 1 0 333.754 2.655 20 10 EFCDRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)ccc1O ZINC000825958186 608526001 /nfs/dbraw/zinc/52/60/01/608526001.db2.gz NRVMXVHQTRCCMP-UHFFFAOYSA-N 1 0 329.791 2.858 20 10 EFCDRO COc1cc(C[NH2+]C2CCN(C(C)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000850012391 1250222402 /nfs/dbraw/zinc/22/24/02/1250222402.db2.gz JUSKIGKYSSVRSJ-UHFFFAOYSA-N 1 0 334.460 2.799 20 10 EFCDRO COc1cc(C[NH2+]CCNC(=O)c2ccco2)c(O)c(C(C)(C)C)c1 ZINC000850015938 1250225570 /nfs/dbraw/zinc/22/55/70/1250225570.db2.gz FEYKWAFRFBAZFC-UHFFFAOYSA-N 1 0 346.427 2.811 20 10 EFCDRO COc1cc(C[NH2+][C@H](C)CN2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850031888 1250234545 /nfs/dbraw/zinc/23/45/45/1250234545.db2.gz XCWWSZFUVIHFQM-CQSZACIVSA-N 1 0 336.476 2.509 20 10 EFCDRO COc1cncc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000850035127 1250236586 /nfs/dbraw/zinc/23/65/86/1250236586.db2.gz VHVGGUBTBJURMF-UHFFFAOYSA-N 1 0 329.469 2.933 20 10 EFCDRO COc1cc(C[NH2+]C[C@@H](O)COCC(C)C)c(O)c(C(C)(C)C)c1 ZINC000850072245 1250257542 /nfs/dbraw/zinc/25/75/42/1250257542.db2.gz PRKICUCYJSBCAA-OAHLLOKOSA-N 1 0 339.476 2.821 20 10 EFCDRO CCCn1nccc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000850076950 1250265765 /nfs/dbraw/zinc/26/57/65/1250265765.db2.gz GTHGPKZHPLTYFR-MRXNPFEDSA-N 1 0 328.460 2.981 20 10 EFCDRO COc1cc(C[NH2+][C@H](C)CC[S@](C)=O)c(O)c(C(C)(C)C)c1 ZINC000850182657 1250341366 /nfs/dbraw/zinc/34/13/66/1250341366.db2.gz JFKDEEOPFQSKKK-IPQOISQHSA-N 1 0 327.490 2.945 20 10 EFCDRO COc1cc(C[NH2+][C@H](C)CO[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850180822 1250339846 /nfs/dbraw/zinc/33/98/46/1250339846.db2.gz IDVFOZCFTHXEAU-UKRRQHHQSA-N 1 0 337.460 2.982 20 10 EFCDRO COc1cc(C[NH2+][C@@H](C)CC[S@](C)=O)c(O)c(C(C)(C)C)c1 ZINC000850182662 1250341784 /nfs/dbraw/zinc/34/17/84/1250341784.db2.gz JFKDEEOPFQSKKK-YTEVENLXSA-N 1 0 327.490 2.945 20 10 EFCDRO COc1cc(C[NH2+][C@@H](C)CC[S@@](C)=O)c(O)c(C(C)(C)C)c1 ZINC000850182655 1250341797 /nfs/dbraw/zinc/34/17/97/1250341797.db2.gz JFKDEEOPFQSKKK-AMXDTQDGSA-N 1 0 327.490 2.945 20 10 EFCDRO CCCCN1C(=O)C[C@]2(CCC[N@H+](Cc3cc(F)ccc3O)C2)C1=O ZINC001273286005 1265478663 /nfs/dbraw/zinc/47/86/63/1265478663.db2.gz XKKFLXFYVGSQTG-IBGZPJMESA-N 1 0 348.418 2.673 20 10 EFCDRO COC[C@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H]1CCCO1 ZINC000850281101 1250395966 /nfs/dbraw/zinc/39/59/66/1250395966.db2.gz OTUQJTRZUZSJQE-DLBZAZTESA-N 1 0 337.460 2.982 20 10 EFCDRO CS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)ccc2O)CCCCC1 ZINC000850376775 1250455046 /nfs/dbraw/zinc/45/50/46/1250455046.db2.gz MCZFSKMZTUJPKV-UHFFFAOYSA-N 1 0 331.865 2.883 20 10 EFCDRO C[C@H](CN1CCC(C)CC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000850386196 1250457610 /nfs/dbraw/zinc/45/76/10/1250457610.db2.gz HFRRYKBIFCMTLW-LJQANCHMSA-N 1 0 344.547 2.648 20 10 EFCDRO CCOCc1cc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)ccc1OC ZINC000850396142 1250465519 /nfs/dbraw/zinc/46/55/19/1250465519.db2.gz HDBIKNSOZZRNJJ-MRXNPFEDSA-N 1 0 348.487 2.968 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cccc4c3OCO4)cc2)CC1 ZINC000850406078 1250468716 /nfs/dbraw/zinc/46/87/16/1250468716.db2.gz QOXXVZJFVDQACK-UHFFFAOYSA-N 1 0 340.423 2.666 20 10 EFCDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000850406361 1250469655 /nfs/dbraw/zinc/46/96/55/1250469655.db2.gz CXKOIXGLOWKGAD-XLIONFOSSA-N 1 0 332.488 2.941 20 10 EFCDRO Fc1cc(C[NH2+][C@H]2CCCn3nccc32)cc(F)c1N1CCOCC1 ZINC000850473109 1250497269 /nfs/dbraw/zinc/49/72/69/1250497269.db2.gz CCELARZRYKLNPF-INIZCTEOSA-N 1 0 348.397 2.623 20 10 EFCDRO COc1ccc(N2C[C@@H]([NH2+][C@@H]3CCc4cccc(O)c43)CC2=O)cc1 ZINC000850515732 1250519050 /nfs/dbraw/zinc/51/90/50/1250519050.db2.gz OBKNZKLHHKOTCL-WMLDXEAASA-N 1 0 338.407 2.783 20 10 EFCDRO COc1ccc(N2C[C@@H]([NH2+][C@H](C)c3ccccc3O)CC2=O)cc1 ZINC000850516035 1250520126 /nfs/dbraw/zinc/52/01/26/1250520126.db2.gz QWGHYBLOCDCPTH-KGLIPLIRSA-N 1 0 326.396 2.857 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cnn(C)c1 ZINC000850566372 1250539145 /nfs/dbraw/zinc/53/91/45/1250539145.db2.gz MWMNUWWONSUDAD-IBGZPJMESA-N 1 0 328.460 2.622 20 10 EFCDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000850565853 1250539663 /nfs/dbraw/zinc/53/96/63/1250539663.db2.gz IIVHGEGKHUSPEZ-HNNXBMFYSA-N 1 0 328.460 2.715 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccc(CO)c1 ZINC000850566913 1250539834 /nfs/dbraw/zinc/53/98/34/1250539834.db2.gz UBFZWAZNMKFRAV-MRXNPFEDSA-N 1 0 340.467 2.991 20 10 EFCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H]2CCO[C@H]21 ZINC000850565932 1250539903 /nfs/dbraw/zinc/53/99/03/1250539903.db2.gz JTFVWEIGJDIRTP-GUDVDZBRSA-N 1 0 330.472 2.551 20 10 EFCDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000850568000 1250540514 /nfs/dbraw/zinc/54/05/14/1250540514.db2.gz NUEZYVKRLRDTOV-GDIGMMSISA-N 1 0 332.488 2.797 20 10 EFCDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C12CCC2 ZINC000850567744 1250540689 /nfs/dbraw/zinc/54/06/89/1250540689.db2.gz IGZMMOIOPCQEFF-MOPGFXCFSA-N 1 0 330.472 2.695 20 10 EFCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]2CCCO[C@@H]21 ZINC000850568250 1250540721 /nfs/dbraw/zinc/54/07/21/1250540721.db2.gz SWPXFNUDIKXKLM-ZCNNSNEGSA-N 1 0 344.499 2.941 20 10 EFCDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)ccn1 ZINC000850567934 1250541196 /nfs/dbraw/zinc/54/11/96/1250541196.db2.gz MIEVSCIKKJPBQA-HNNXBMFYSA-N 1 0 341.455 2.902 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ncc[nH]2)cc1C ZINC001085194007 1265508686 /nfs/dbraw/zinc/50/86/86/1265508686.db2.gz GZSUMDBZOOOXEK-HZPDHXFCSA-N 1 0 342.443 2.558 20 10 EFCDRO COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000185953055 1253484451 /nfs/dbraw/zinc/48/44/51/1253484451.db2.gz GZMDZHRTLKSFQS-AWEZNQCLSA-N 1 0 328.412 2.790 20 10 EFCDRO CC(C)C[NH+]1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000112642531 1255421347 /nfs/dbraw/zinc/42/13/47/1255421347.db2.gz MUGXYOUBAPMITD-UHFFFAOYSA-N 1 0 327.266 2.928 20 10 EFCDRO CC(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1(C)C ZINC000996686259 1255741089 /nfs/dbraw/zinc/74/10/89/1255741089.db2.gz CXABREOZEZQISJ-OAHLLOKOSA-N 1 0 345.447 2.945 20 10 EFCDRO COCCOc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000921539549 1257080380 /nfs/dbraw/zinc/08/03/80/1257080380.db2.gz GUQZBYHVYLWCIE-UHFFFAOYSA-N 1 0 328.412 2.722 20 10 EFCDRO FC(F)(F)CN1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921547779 1257214143 /nfs/dbraw/zinc/21/41/43/1257214143.db2.gz NMFJOVSJBDJCPR-CQSZACIVSA-N 1 0 328.378 2.985 20 10 EFCDRO Cc1ccc(C[N@H+]2CCC[C@]3(CC(=O)N(CC(C)C)C3=O)C2)c(O)c1 ZINC001272766348 1257702821 /nfs/dbraw/zinc/70/28/21/1257702821.db2.gz PJPLZYZNUAMJIT-FQEVSTJZSA-N 1 0 344.455 2.698 20 10 EFCDRO CN1CC[C@@]2(CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1=O ZINC001273306582 1266244716 /nfs/dbraw/zinc/24/47/16/1266244716.db2.gz IRUVYUCRVLXUOU-FQEVSTJZSA-N 1 0 327.472 2.731 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C(C)=O)CC[C@@H]2C(F)(F)F)cc1C ZINC000998229350 1259271913 /nfs/dbraw/zinc/27/19/13/1259271913.db2.gz WYBVZSZUVCFGPY-GJZGRUSLSA-N 1 0 344.377 2.893 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)C3CCOCC3)C2)cc1C ZINC000998359377 1259458291 /nfs/dbraw/zinc/45/82/91/1259458291.db2.gz NPMQQPNNMOOEKC-UHFFFAOYSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CCOC3)C2)cc1C ZINC000998573103 1259699289 /nfs/dbraw/zinc/69/92/89/1259699289.db2.gz GOGSBJSFYFFALP-WWDZGPRUSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)cc1C ZINC000998619997 1259758283 /nfs/dbraw/zinc/75/82/83/1259758283.db2.gz DMMKSKTVPGRYBF-QZTJIDSGSA-N 1 0 346.471 2.653 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C3=COCCC3)C2)cc1C ZINC000998715103 1259858650 /nfs/dbraw/zinc/85/86/50/1259858650.db2.gz HGDDQONZCOYYBH-GOSISDBHSA-N 1 0 344.455 2.779 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C(=O)C(C)(C)C)C2)cc1C ZINC000998756568 1259912048 /nfs/dbraw/zinc/91/20/48/1259912048.db2.gz ZOBHGVMZCFRATL-INIZCTEOSA-N 1 0 346.471 2.699 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3ccns3)C2)cc1C ZINC000998848669 1260002735 /nfs/dbraw/zinc/00/27/35/1260002735.db2.gz WIRJLZKSBBQWDF-UHFFFAOYSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3cc[nH]c3)C2)cc1C ZINC000999239071 1260390414 /nfs/dbraw/zinc/39/04/14/1260390414.db2.gz OSRAVPRLZASOQW-KRWDZBQOSA-N 1 0 327.428 2.726 20 10 EFCDRO [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125508 1260536940 /nfs/dbraw/zinc/53/69/40/1260536940.db2.gz XLBFEMOCGVUCEO-STQMWFEESA-N 1 0 339.277 2.976 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@]3(C)CCOC3)C2)cc1C ZINC000999610625 1260776471 /nfs/dbraw/zinc/77/64/71/1260776471.db2.gz JSOMLISPTJGNNH-LBXVMSDZSA-N 1 0 346.471 2.509 20 10 EFCDRO CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC([NH2+]CCC2CC2)C1 ZINC000999908403 1260975139 /nfs/dbraw/zinc/97/51/39/1260975139.db2.gz UTXIDEMHJARZNE-UHFFFAOYSA-N 1 0 343.431 2.842 20 10 EFCDRO c1cc2c(cc1C[NH2+]CC1(N3CCCC3)CCOCC1)CCCO2 ZINC000921697442 1261178019 /nfs/dbraw/zinc/17/80/19/1261178019.db2.gz LUXIIWMUBVSNGD-UHFFFAOYSA-N 1 0 330.472 2.746 20 10 EFCDRO CC(C)=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001272902826 1261294648 /nfs/dbraw/zinc/29/46/48/1261294648.db2.gz HSCLTOQYXQPGBD-HZPDHXFCSA-N 1 0 330.428 2.629 20 10 EFCDRO O=C(NCC[NH2+]Cc1ccc2c(c1)CCCO2)c1c(F)cccc1F ZINC000921734573 1261297795 /nfs/dbraw/zinc/29/77/95/1261297795.db2.gz KWJFNJKVUJPOAZ-UHFFFAOYSA-N 1 0 346.377 2.809 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NC)CC2)cc1 ZINC001272916469 1261326827 /nfs/dbraw/zinc/32/68/27/1261326827.db2.gz IXVNDMCEWDJOBV-SFHVURJKSA-N 1 0 329.488 2.881 20 10 EFCDRO CC(C)CN1CC[C@]2(CC[N@H+](Cc3ccc(N(C)C)cc3)C2)C1=O ZINC001272916939 1261329085 /nfs/dbraw/zinc/32/90/85/1261329085.db2.gz NLZAVQPWDKOCDT-FQEVSTJZSA-N 1 0 329.488 2.833 20 10 EFCDRO CC[C@@H](C)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001078341264 1261670131 /nfs/dbraw/zinc/67/01/31/1261670131.db2.gz BNEPMZTZZBSZBX-CRAIPNDOSA-N 1 0 348.487 2.757 20 10 EFCDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)s1 ZINC000922043253 1264206401 /nfs/dbraw/zinc/20/64/01/1264206401.db2.gz ZLHDMNQCLJMIEE-UHFFFAOYSA-N 1 0 337.466 2.766 20 10 EFCDRO CC[C@@H](C)N1CCC2(CC[NH+](Cc3ccc(O)cc3O)CC2)C1=O ZINC001272982419 1264667750 /nfs/dbraw/zinc/66/77/50/1264667750.db2.gz IOPHRFVDBUGOJM-CQSZACIVSA-N 1 0 332.444 2.711 20 10 EFCDRO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000824689153 1278247654 /nfs/dbraw/zinc/24/76/54/1278247654.db2.gz KRANQWMJOHKGQS-GFCCVEGCSA-N 1 0 342.233 2.740 20 10 EFCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccccc1Cn1cncn1 ZINC000733324374 1265168226 /nfs/dbraw/zinc/16/82/26/1265168226.db2.gz UFNUIBRPKULVDQ-UHFFFAOYSA-N 1 0 328.803 2.975 20 10 EFCDRO O=C1N(CC(F)F)CCC12CC[NH+](Cc1c([O-])cccc1F)CC2 ZINC001273266435 1265249125 /nfs/dbraw/zinc/24/91/25/1265249125.db2.gz XWIISXYOFXVUCH-UHFFFAOYSA-N 1 0 342.361 2.611 20 10 EFCDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000824709171 1278257274 /nfs/dbraw/zinc/25/72/74/1278257274.db2.gz OEQOQZCJIPZHRZ-BXUZGUMPSA-N 1 0 344.249 2.604 20 10 EFCDRO O[C@@H]1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000824714816 1278259414 /nfs/dbraw/zinc/25/94/14/1278259414.db2.gz HEQRUAJMRKBDTC-XUVXKRRUSA-N 1 0 330.472 2.649 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[NH+](C2CCC2)CC1 ZINC000733643151 1265334699 /nfs/dbraw/zinc/33/46/99/1265334699.db2.gz ZXLDWUVYRCFGES-UHFFFAOYSA-N 1 0 342.487 2.667 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+]CCc2ccccc2S(C)(=O)=O)c1 ZINC000922677834 1266582913 /nfs/dbraw/zinc/58/29/13/1266582913.db2.gz WUWUFFVGDXXPSV-UHFFFAOYSA-N 1 0 349.452 2.527 20 10 EFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)c1O ZINC001273049101 1266788148 /nfs/dbraw/zinc/78/81/48/1266788148.db2.gz LSDWRZABQJPVTC-HUUCEWRRSA-N 1 0 338.398 2.839 20 10 EFCDRO O=C(NCc1ccccc1O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000734217026 1266914699 /nfs/dbraw/zinc/91/46/99/1266914699.db2.gz RFQXZHMZAWAXOC-GOSISDBHSA-N 1 0 339.439 2.856 20 10 EFCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000734285175 1266938268 /nfs/dbraw/zinc/93/82/68/1266938268.db2.gz HJRNFJWNQNFMQX-QGZVFWFLSA-N 1 0 344.503 2.911 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000734664078 1267068937 /nfs/dbraw/zinc/06/89/37/1267068937.db2.gz CXTRQOOWCBSXOT-KRWDZBQOSA-N 1 0 346.519 2.981 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000734668967 1267070329 /nfs/dbraw/zinc/07/03/29/1267070329.db2.gz JYVSCMPWUHFGGM-IBGZPJMESA-N 1 0 346.519 2.981 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@H]2OC)c1O ZINC000824903705 1278335350 /nfs/dbraw/zinc/33/53/50/1278335350.db2.gz KFXGEIURLCEGCL-VXGBXAGGSA-N 1 0 330.222 2.820 20 10 EFCDRO COC(=O)CC[N@H+](Cc1cc(Cl)c(C)cc1O)C1CCOCC1 ZINC000824883919 1278347471 /nfs/dbraw/zinc/34/74/71/1278347471.db2.gz PXXYKJIUYGNEFJ-UHFFFAOYSA-N 1 0 341.835 2.898 20 10 EFCDRO Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC2)c(C)n1-c1ccccn1 ZINC000186806679 1267728739 /nfs/dbraw/zinc/72/87/39/1267728739.db2.gz XCUKGEHTAJKMMW-UHFFFAOYSA-N 1 0 326.444 2.655 20 10 EFCDRO O=C1N(CC(F)F)CC[C@@]12CC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001273108482 1267781331 /nfs/dbraw/zinc/78/13/31/1267781331.db2.gz RINCFQJFACGHKZ-MRXNPFEDSA-N 1 0 344.789 2.735 20 10 EFCDRO CO[C@@H]1C[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C[C@H]1O ZINC000825025189 1278386617 /nfs/dbraw/zinc/38/66/17/1278386617.db2.gz ZIPSBWSTCFKBOB-QZTJIDSGSA-N 1 0 332.469 2.576 20 10 EFCDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(O)c1O)c1ccsc1 ZINC000186928550 1268207142 /nfs/dbraw/zinc/20/71/42/1268207142.db2.gz HPALCKJCRVZYKO-AWEZNQCLSA-N 1 0 334.441 2.972 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)c1 ZINC000825046475 1278395664 /nfs/dbraw/zinc/39/56/64/1278395664.db2.gz UPPRMXPCCDJVDX-LXIYXOSZSA-N 1 0 331.416 2.705 20 10 EFCDRO CCOc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)c(O)c1 ZINC000825046279 1278395994 /nfs/dbraw/zinc/39/59/94/1278395994.db2.gz RPDPSPTTYQZFLI-KSSFIOAISA-N 1 0 331.416 2.534 20 10 EFCDRO Cc1cc(O)c(C[NH2+]C[C@H](C(C)C)N2CCOCC2)cc1Cl ZINC000825071762 1278405152 /nfs/dbraw/zinc/40/51/52/1278405152.db2.gz UGOPOWYXHJXSOL-MRXNPFEDSA-N 1 0 326.868 2.800 20 10 EFCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163626696 1268515937 /nfs/dbraw/zinc/51/59/37/1268515937.db2.gz JPEAWEPKKZSPIY-MRXNPFEDSA-N 1 0 349.544 2.976 20 10 EFCDRO Cc1nc(CN2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)oc1C ZINC000164284202 1268703004 /nfs/dbraw/zinc/70/30/04/1268703004.db2.gz UHMOEUPEDQBFOK-UHFFFAOYSA-N 1 0 329.444 2.932 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000825173763 1278435096 /nfs/dbraw/zinc/43/50/96/1278435096.db2.gz RLKCAJWREDIASZ-UHFFFAOYSA-N 1 0 349.219 2.974 20 10 EFCDRO COc1ccc(CNC(=O)C[NH2+]Cc2cc(Cl)c(C)cc2O)cc1 ZINC000825160774 1278456397 /nfs/dbraw/zinc/45/63/97/1278456397.db2.gz WFLPPJRZQRZXBT-UHFFFAOYSA-N 1 0 348.830 2.769 20 10 EFCDRO O=C(C[NH2+]Cc1ccc(Br)cc1O)NC1CCCCC1 ZINC000825222594 1278468155 /nfs/dbraw/zinc/46/81/55/1278468155.db2.gz KDZNDCDZVYEGRV-UHFFFAOYSA-N 1 0 341.249 2.693 20 10 EFCDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000741065175 1269293464 /nfs/dbraw/zinc/29/34/64/1269293464.db2.gz RRWGXNALVHUUBK-GOSISDBHSA-N 1 0 342.487 2.592 20 10 EFCDRO CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000741090210 1269316925 /nfs/dbraw/zinc/31/69/25/1269316925.db2.gz DZRORSGZFMOTKS-SFHVURJKSA-N 1 0 342.487 2.735 20 10 EFCDRO C[NH+](C)CC1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000741092053 1269319606 /nfs/dbraw/zinc/31/96/06/1269319606.db2.gz RMORSXZZYIXEAH-UHFFFAOYSA-N 1 0 342.487 2.546 20 10 EFCDRO C[C@@H](F)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994779 1269450097 /nfs/dbraw/zinc/45/00/97/1269450097.db2.gz UQKOQPHHVOLUMU-IUODEOHRSA-N 1 0 349.410 2.743 20 10 EFCDRO CN(C[C@H]1CC[N@@H+]1CC1CCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994839 1269450864 /nfs/dbraw/zinc/45/08/64/1269450864.db2.gz WHDJNLYDHVSUGN-MRXNPFEDSA-N 1 0 343.431 2.795 20 10 EFCDRO CO[C@@H](C[NH2+]Cc1ccc(Br)cc1O)C(F)(F)F ZINC000825254249 1278487094 /nfs/dbraw/zinc/48/70/94/1278487094.db2.gz OAQPENLVQKGGKR-JTQLQIEISA-N 1 0 328.128 2.822 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000825255275 1278487907 /nfs/dbraw/zinc/48/79/07/1278487907.db2.gz ZHWLPXZOCVVYDF-CQSZACIVSA-N 1 0 325.250 2.729 20 10 EFCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)cc1Cl ZINC000825258634 1278488340 /nfs/dbraw/zinc/48/83/40/1278488340.db2.gz CQDVILHJZFSLML-NSHDSACASA-N 1 0 336.741 2.607 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1 ZINC000825294232 1278495934 /nfs/dbraw/zinc/49/59/34/1278495934.db2.gz KXVSJBYZOKUPEV-CJNGLKHVSA-N 1 0 348.443 2.842 20 10 EFCDRO CCOc1cccc(C[N@H+](CCO)Cc2cc(OC)ccc2O)c1 ZINC000825299938 1278497056 /nfs/dbraw/zinc/49/70/56/1278497056.db2.gz SZEJNICKSJGIIT-UHFFFAOYSA-N 1 0 331.412 2.794 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+]CCCOC[C@@H]1CCOC1 ZINC000825303590 1278499392 /nfs/dbraw/zinc/49/93/92/1278499392.db2.gz KARACEXNQVMFKM-LBPRGKRZSA-N 1 0 344.249 2.688 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)C(=O)NC ZINC000825316918 1278503737 /nfs/dbraw/zinc/50/37/37/1278503737.db2.gz YKFPTJUGVCFYQI-QGZVFWFLSA-N 1 0 328.412 2.585 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)C(=O)NC ZINC000825316917 1278504443 /nfs/dbraw/zinc/50/44/43/1278504443.db2.gz YKFPTJUGVCFYQI-KRWDZBQOSA-N 1 0 328.412 2.585 20 10 EFCDRO COC(=O)C1(C)CCC([NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC001168772838 1269728858 /nfs/dbraw/zinc/72/88/58/1269728858.db2.gz PUYFXVNHMJZTTL-UHFFFAOYSA-N 1 0 346.471 2.939 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CCCCO3)C2)cc1C ZINC001086062208 1269736088 /nfs/dbraw/zinc/73/60/88/1269736088.db2.gz PPPVYGQSLVZZQY-SCTDSRPQSA-N 1 0 346.471 2.557 20 10 EFCDRO COCCOCCCC[NH2+]Cc1ccc(Br)cc1O ZINC000701060251 1269905483 /nfs/dbraw/zinc/90/54/83/1269905483.db2.gz HUNZJFGPOQCSTD-UHFFFAOYSA-N 1 0 332.238 2.688 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3occc3C)CC2)cc1 ZINC000742366882 1270007719 /nfs/dbraw/zinc/00/77/19/1270007719.db2.gz ZURBGULZOCZFNT-UHFFFAOYSA-N 1 0 343.471 2.899 20 10 EFCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1C ZINC000742372548 1270027939 /nfs/dbraw/zinc/02/79/39/1270027939.db2.gz PNQSGXXAAFUYIV-NRFANRHFSA-N 1 0 340.467 2.736 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)c1O ZINC000742374648 1270029354 /nfs/dbraw/zinc/02/93/54/1270029354.db2.gz BGFDXHIVGDKBCV-GWCFXTLKSA-N 1 0 343.265 2.736 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccncc1 ZINC000743472072 1270598438 /nfs/dbraw/zinc/59/84/38/1270598438.db2.gz JVYLVAABKRGXAC-QAPCUYQASA-N 1 0 338.455 2.634 20 10 EFCDRO CC1CC[NH+](CCNC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000743548603 1270629075 /nfs/dbraw/zinc/62/90/75/1270629075.db2.gz OYTGLBYWTIDMDP-UHFFFAOYSA-N 1 0 345.487 2.802 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CCOCC3(CCOCC3)C2)cc1Cl ZINC000825501857 1278573098 /nfs/dbraw/zinc/57/30/98/1278573098.db2.gz SGBLYOKQTFMSHS-UHFFFAOYSA-N 1 0 325.836 2.983 20 10 EFCDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000825502577 1278574459 /nfs/dbraw/zinc/57/44/59/1278574459.db2.gz YRQDGWOOVPUUCC-ZJUUUORDSA-N 1 0 330.222 2.832 20 10 EFCDRO Cc1cc(C(=O)NCC[N@H+]2CCC[C@H]2C)c(C)n1-c1ccccn1 ZINC000744348163 1270982979 /nfs/dbraw/zinc/98/29/79/1270982979.db2.gz GDPIDFZCENXVFK-CQSZACIVSA-N 1 0 326.444 2.703 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3coc(C)n3)C2)cc1C ZINC001086348903 1271093800 /nfs/dbraw/zinc/09/38/00/1271093800.db2.gz DLYKUUMDCBIKNQ-WKILWMFISA-N 1 0 343.427 2.598 20 10 EFCDRO C[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000702566659 1271496378 /nfs/dbraw/zinc/49/63/78/1271496378.db2.gz MTAIQLHCVXGHQO-QRWLVFNGSA-N 1 0 344.430 2.819 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000745655332 1271552388 /nfs/dbraw/zinc/55/23/88/1271552388.db2.gz IGBNHGFRSUDTJF-NVXWUHKLSA-N 1 0 332.492 2.815 20 10 EFCDRO [O-]c1c(Cl)cccc1C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000702637013 1271563931 /nfs/dbraw/zinc/56/39/31/1271563931.db2.gz RNPYYOFDPDURJG-LJQANCHMSA-N 1 0 346.858 2.772 20 10 EFCDRO COc1cc(C(=O)N[C@H]2CCCC[N@H+](CCC(C)C)C2)cc(OC)n1 ZINC001034289561 1271569658 /nfs/dbraw/zinc/56/96/58/1271569658.db2.gz ZAQKCKXLUIFZCN-INIZCTEOSA-N 1 0 349.475 2.729 20 10 EFCDRO CN(C)c1ccc(NC(=O)CC[N@H+](C)Cc2ccccc2O)cc1 ZINC000792250582 1278675612 /nfs/dbraw/zinc/67/56/12/1278675612.db2.gz VZZMRNBECSIVPN-UHFFFAOYSA-N 1 0 327.428 2.919 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCC[N@H+](CC3CC3)C2)cc1 ZINC001034546312 1272263485 /nfs/dbraw/zinc/26/34/85/1272263485.db2.gz AFBQUMHGSFWSQC-INIZCTEOSA-N 1 0 343.431 2.843 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(O)c(O)c2)CN1C(=O)OC(C)(C)C ZINC001168810556 1272416353 /nfs/dbraw/zinc/41/63/53/1272416353.db2.gz HJAKVMBBPQONCP-TZMCWYRMSA-N 1 0 336.432 2.628 20 10 EFCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3cc2O)CO1 ZINC001169350981 1272839879 /nfs/dbraw/zinc/83/98/79/1272839879.db2.gz WQALDHXFMYYJPR-AEFFLSMTSA-N 1 0 329.396 2.746 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)CC[C@H]2CCCOC2)cc1C ZINC001169612492 1273052653 /nfs/dbraw/zinc/05/26/53/1273052653.db2.gz RDAUDYWVMSMCNZ-QGZVFWFLSA-N 1 0 348.487 2.806 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C)SC)cc1C ZINC001034868348 1273154070 /nfs/dbraw/zinc/15/40/70/1273154070.db2.gz YSLYKJWWVISRBI-GOEBONIOSA-N 1 0 336.501 2.836 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2ccn(C)c2)cc1C ZINC001034905121 1273189870 /nfs/dbraw/zinc/18/98/70/1273189870.db2.gz OCOORVODFGDXPL-GOSISDBHSA-N 1 0 341.455 2.737 20 10 EFCDRO CS(=O)(=O)C1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001169852108 1273196258 /nfs/dbraw/zinc/19/62/58/1273196258.db2.gz QZEUPEUMHATXAY-UHFFFAOYSA-N 1 0 336.501 2.732 20 10 EFCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)C1CCC(S(C)(=O)=O)CC1 ZINC001169893805 1273222135 /nfs/dbraw/zinc/22/21/35/1273222135.db2.gz IBYIVMNHHIVGMJ-UHFFFAOYSA-N 1 0 338.517 2.930 20 10 EFCDRO CN(c1ccc(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1)C1CCCCC1 ZINC000844177622 1278782024 /nfs/dbraw/zinc/78/20/24/1278782024.db2.gz NQPAOFBZWPMZOY-BWTSREIZSA-N 1 0 327.472 2.537 20 10 EFCDRO C[NH2+]CCc1ccccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000844177279 1278782752 /nfs/dbraw/zinc/78/27/52/1278782752.db2.gz FQYMPAXWJZZBQE-UHFFFAOYSA-N 1 0 329.419 2.584 20 10 EFCDRO CC(C)n1nccc1NC(=O)[C@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000844220467 1278796963 /nfs/dbraw/zinc/79/69/63/1278796963.db2.gz XPKCLQXHDUUAKC-AWEZNQCLSA-N 1 0 341.459 2.703 20 10 EFCDRO CC(C)n1nccc1NC(=O)[C@@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000844220468 1278797192 /nfs/dbraw/zinc/79/71/92/1278797192.db2.gz XPKCLQXHDUUAKC-CQSZACIVSA-N 1 0 341.459 2.703 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]CC2CCC2)cc1 ZINC001035138547 1273616484 /nfs/dbraw/zinc/61/64/84/1273616484.db2.gz QGSCJYOKPALHMY-MRXNPFEDSA-N 1 0 343.431 2.843 20 10 EFCDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c(C)n1-c1ccccn1 ZINC000844200516 1278806684 /nfs/dbraw/zinc/80/66/84/1278806684.db2.gz DHHZLGPHVVDQJP-INIZCTEOSA-N 1 0 338.455 2.894 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[C@H]2C(F)F)cc1C ZINC001129376906 1273759972 /nfs/dbraw/zinc/75/99/72/1273759972.db2.gz VWXUVYXLWYZXDC-CABCVRRESA-N 1 0 340.414 2.891 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)CCCc2ncc(C)o2)cc1C ZINC001129109309 1273774527 /nfs/dbraw/zinc/77/45/27/1273774527.db2.gz QXNMBDODOHSMOC-UHFFFAOYSA-N 1 0 345.443 2.529 20 10 EFCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000705684328 1274167384 /nfs/dbraw/zinc/16/73/84/1274167384.db2.gz GGNGMDKGWJBOHO-LJQANCHMSA-N 1 0 346.858 2.772 20 10 EFCDRO CCC[NH+]1CC2(C1)CCN(C(=O)c1ccc(N=NC(N)=O)cc1)CC2 ZINC001035858673 1274611785 /nfs/dbraw/zinc/61/17/85/1274611785.db2.gz JGMCYHNOTIHMGO-UHFFFAOYSA-N 1 0 343.431 2.797 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(F)F)C[C@@H]2C)cc1C ZINC001035867574 1274630994 /nfs/dbraw/zinc/63/09/94/1274630994.db2.gz FOGLQZBSJLTEGZ-JSGCOSHPSA-N 1 0 326.387 2.595 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3cc(C)no3)C2)cc1C ZINC001090923434 1278882015 /nfs/dbraw/zinc/88/20/15/1278882015.db2.gz NJOGABLFVMAKFW-UHFFFAOYSA-N 1 0 343.427 2.598 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccon3)C[C@@H]2C)cc1C ZINC001035942452 1274720291 /nfs/dbraw/zinc/72/02/91/1274720291.db2.gz RSJIZBJNWFDMQK-HOCLYGCPSA-N 1 0 343.427 2.632 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccon3)C[C@H]2C)cc1C ZINC001035942453 1274721113 /nfs/dbraw/zinc/72/11/13/1274721113.db2.gz RSJIZBJNWFDMQK-ZBFHGGJFSA-N 1 0 343.427 2.632 20 10 EFCDRO Oc1cccc(Br)c1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000706853930 1275053005 /nfs/dbraw/zinc/05/30/05/1275053005.db2.gz NQHVVPIFFITQCG-NWDGAFQWSA-N 1 0 325.250 2.871 20 10 EFCDRO CC[C@H]1C[C@H]([NH+]2CCN(c3ccc(OCCOC)cc3)CC2)CCO1 ZINC001170237836 1278922200 /nfs/dbraw/zinc/92/22/00/1278922200.db2.gz JPJPPWNOFLJWIB-MOPGFXCFSA-N 1 0 348.487 2.791 20 10 EFCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000785591322 1275123194 /nfs/dbraw/zinc/12/31/94/1275123194.db2.gz GVHDYIVNWUTQHX-UHFFFAOYSA-N 1 0 339.848 2.629 20 10 EFCDRO C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC1CC(O)C1 ZINC000785984151 1275265618 /nfs/dbraw/zinc/26/56/18/1275265618.db2.gz GVIFYZMQWMPTDC-UHFFFAOYSA-N 1 0 333.432 2.788 20 10 EFCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1[NH2+]CC1CC1 ZINC001036310437 1275397106 /nfs/dbraw/zinc/39/71/06/1275397106.db2.gz XLDFVNHLUVFITH-WBMJQRKESA-N 1 0 343.431 2.699 20 10 EFCDRO CNC(=O)c1cccc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)c1 ZINC000844401394 1278952755 /nfs/dbraw/zinc/95/27/55/1278952755.db2.gz NGJJPWQYUFCGRZ-UHFFFAOYSA-N 1 0 341.455 2.623 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cc(OC)cc(C)n2)cc1 ZINC000844402475 1278954147 /nfs/dbraw/zinc/95/41/47/1278954147.db2.gz YYPJMPHBXLEYMW-UHFFFAOYSA-N 1 0 329.444 2.975 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1 ZINC000786965800 1275593448 /nfs/dbraw/zinc/59/34/48/1275593448.db2.gz OFHCLTRYHFOJGB-SNVBAGLBSA-N 1 0 341.454 2.717 20 10 EFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)[C@@H]1C ZINC000787239939 1275731565 /nfs/dbraw/zinc/73/15/65/1275731565.db2.gz PKLZTFCMPWSMQO-IUODEOHRSA-N 1 0 329.396 2.937 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000787292180 1275736056 /nfs/dbraw/zinc/73/60/56/1275736056.db2.gz YAMBAIWVQKNVQS-CYBMUJFWSA-N 1 0 332.375 2.978 20 10 EFCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H]1C ZINC000787326814 1275757591 /nfs/dbraw/zinc/75/75/91/1275757591.db2.gz KDRLTYKOYUFKRF-RNCFNFMXSA-N 1 0 325.792 2.632 20 10 EFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@H]1C ZINC000787326815 1275758294 /nfs/dbraw/zinc/75/82/94/1275758294.db2.gz KDRLTYKOYUFKRF-TVQRCGJNSA-N 1 0 325.792 2.632 20 10 EFCDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(O)c(O)c2)c([N+](=O)[O-])c1 ZINC001170314042 1279009238 /nfs/dbraw/zinc/00/92/38/1279009238.db2.gz UMEFMNFBWQJJDL-NSHDSACASA-N 1 0 332.356 2.735 20 10 EFCDRO C[N@@H+]1CCCC[C@H]1c1ccc(NCC(=O)c2ccc(O)c(O)c2)nc1 ZINC001170316697 1279009244 /nfs/dbraw/zinc/00/92/44/1279009244.db2.gz YXXXLBYMSOLGBG-HNNXBMFYSA-N 1 0 341.411 2.944 20 10 EFCDRO Cc1cc(C)c([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)c(O)c1 ZINC000788574913 1276230472 /nfs/dbraw/zinc/23/04/72/1276230472.db2.gz UMHRZFIOUROLAU-HNNXBMFYSA-N 1 0 348.468 2.638 20 10 EFCDRO C[N@@H+]1CC[C@H](c2ccc(NCC(=O)c3ccc(O)c(O)c3)cc2)C1 ZINC001170320731 1279012897 /nfs/dbraw/zinc/01/28/97/1279012897.db2.gz LCLXGOCWERFUOR-HNNXBMFYSA-N 1 0 326.396 2.812 20 10 EFCDRO C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000817893124 1276363640 /nfs/dbraw/zinc/36/36/40/1276363640.db2.gz FCDNWFBJKRTKKC-OXJNMPFZSA-N 1 0 331.504 2.516 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc1F ZINC000817903943 1276369135 /nfs/dbraw/zinc/36/91/35/1276369135.db2.gz XKCGDVOJPAEJEW-RTBURBONSA-N 1 0 335.467 2.529 20 10 EFCDRO C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817935111 1276381587 /nfs/dbraw/zinc/38/15/87/1276381587.db2.gz GTFBVVUMCOZBJM-LLVKDONJSA-N 1 0 332.275 2.645 20 10 EFCDRO C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817939062 1276385626 /nfs/dbraw/zinc/38/56/26/1276385626.db2.gz YKXJEMQDBNWJSB-BEFAXECRSA-N 1 0 340.471 2.759 20 10 EFCDRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817939065 1276385848 /nfs/dbraw/zinc/38/58/48/1276385848.db2.gz YKXJEMQDBNWJSB-KXBFYZLASA-N 1 0 340.471 2.759 20 10 EFCDRO C[NH2+]CCc1ccccc1C(=O)NCCCSc1nccs1 ZINC000817941809 1276387370 /nfs/dbraw/zinc/38/73/70/1276387370.db2.gz SGIWAKAJDXIDCC-UHFFFAOYSA-N 1 0 335.498 2.817 20 10 EFCDRO Cc1noc(C2CCC([NH2+]C[C@H](N)c3ccc(N(C)C)cc3)CC2)n1 ZINC000817944333 1276389435 /nfs/dbraw/zinc/38/94/35/1276389435.db2.gz ZHUWGDWPQIZWLV-HTWSVDAQSA-N 1 0 343.475 2.760 20 10 EFCDRO Cc1ccc([C@H](CNC(=O)c2cccc(O)c2O)[NH+]2CCCC2)cc1 ZINC000187045387 1276392218 /nfs/dbraw/zinc/39/22/18/1276392218.db2.gz BTGFMJHGKPIYQG-KRWDZBQOSA-N 1 0 340.423 2.973 20 10 EFCDRO Cc1ccc([C@@H](CNC(=O)c2cccc(O)c2O)[NH+]2CCCC2)cc1 ZINC000187045369 1276392292 /nfs/dbraw/zinc/39/22/92/1276392292.db2.gz BTGFMJHGKPIYQG-QGZVFWFLSA-N 1 0 340.423 2.973 20 10 EFCDRO COc1ccc([C@@H](NCCc2ccc(N)cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000817956919 1276397802 /nfs/dbraw/zinc/39/78/02/1276397802.db2.gz FYBKHILBZIVNHQ-WOJBJXKFSA-N 1 0 325.456 2.903 20 10 EFCDRO Nc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000817958142 1276398303 /nfs/dbraw/zinc/39/83/03/1276398303.db2.gz SIARTRIZCQROIK-HZPDHXFCSA-N 1 0 329.404 2.690 20 10 EFCDRO Nc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000817958139 1276399254 /nfs/dbraw/zinc/39/92/54/1276399254.db2.gz SIARTRIZCQROIK-HOTGVXAUSA-N 1 0 329.404 2.690 20 10 EFCDRO C[NH2+]CCc1ccccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000817997296 1276406417 /nfs/dbraw/zinc/40/64/17/1276406417.db2.gz MYNDLEDOWYLYJA-UHFFFAOYSA-N 1 0 338.451 2.963 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000817996545 1276406732 /nfs/dbraw/zinc/40/67/32/1276406732.db2.gz HTEBPSBQJHEBDY-VBKZILBWSA-N 1 0 340.423 2.509 20 10 EFCDRO C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000817997340 1276407016 /nfs/dbraw/zinc/40/70/16/1276407016.db2.gz ZRLVIVCVOLEJRI-ZDUSSCGKSA-N 1 0 328.412 2.654 20 10 EFCDRO CC[NH2+][C@H](C)CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817972927 1276414920 /nfs/dbraw/zinc/41/49/20/1276414920.db2.gz PZOJPSCPARHWJK-KGLIPLIRSA-N 1 0 325.884 2.825 20 10 EFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CCC34CCCC4)cc2)CC1 ZINC000788983324 1276427661 /nfs/dbraw/zinc/42/76/61/1276427661.db2.gz CMMDJVFQGJMFRN-SFHVURJKSA-N 1 0 348.512 2.734 20 10 EFCDRO CC(C)n1cncc1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000818180885 1276480027 /nfs/dbraw/zinc/48/00/27/1276480027.db2.gz NIJZRQPNPFLHRY-UHFFFAOYSA-N 1 0 342.487 2.963 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnc(N(C)C)s3)C2)cc1 ZINC000818220902 1276493008 /nfs/dbraw/zinc/49/30/08/1276493008.db2.gz OEEPNPOYCQGIIB-AWEZNQCLSA-N 1 0 346.500 2.834 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnc(C4CC4)nc3)C2)cc1 ZINC000818219337 1276493196 /nfs/dbraw/zinc/49/31/96/1276493196.db2.gz BZHMFCNWBWOTNK-OAHLLOKOSA-N 1 0 338.455 2.979 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3C[C@@H](C)N(C4CC4)C3)C2)cc1 ZINC000818221055 1276493264 /nfs/dbraw/zinc/49/32/64/1276493264.db2.gz KVAPGIVHFQXVSO-ZACQAIPSSA-N 1 0 329.488 2.736 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cn(C(C)(C)C)nn3)C2)cc1 ZINC000818222800 1276493326 /nfs/dbraw/zinc/49/33/26/1276493326.db2.gz WCDGBHOPHDFEAT-OAHLLOKOSA-N 1 0 343.475 2.658 20 10 EFCDRO CCc1nn(C)cc1C[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818222185 1276493339 /nfs/dbraw/zinc/49/33/39/1276493339.db2.gz QVHNOILANCGZKD-HNNXBMFYSA-N 1 0 328.460 2.607 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cc(C)nn3C)C2)cc1 ZINC000818343202 1276509630 /nfs/dbraw/zinc/50/96/30/1276509630.db2.gz ZHGOJSMISFBCTQ-CVEARBPZSA-N 1 0 328.460 2.914 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)CCn3cccn3)C2)cc1 ZINC000818342122 1276510138 /nfs/dbraw/zinc/51/01/38/1276510138.db2.gz LXJBOGZMOIKXCM-DLBZAZTESA-N 1 0 328.460 2.786 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)C3(OC)CCOCC3)C2)cc1 ZINC000818341646 1276510440 /nfs/dbraw/zinc/51/04/40/1276510440.db2.gz CKKBCBNIVZTDHD-IAGOWNOFSA-N 1 0 348.487 2.695 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCc4nn(C)cc43)C2)cc1 ZINC000818343207 1276511351 /nfs/dbraw/zinc/51/13/51/1276511351.db2.gz ZHLGINKFKBOFTP-DNVCBOLYSA-N 1 0 340.471 2.922 20 10 EFCDRO CC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)c1nccn1C ZINC000818342614 1276511818 /nfs/dbraw/zinc/51/18/18/1276511818.db2.gz STPUJIWWUUYYFG-CRAIPNDOSA-N 1 0 328.460 2.996 20 10 EFCDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)c1nccn1C ZINC000818342617 1276511869 /nfs/dbraw/zinc/51/18/69/1276511869.db2.gz STPUJIWWUUYYFG-YJBOKZPZSA-N 1 0 328.460 2.996 20 10 EFCDRO CC[C@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)c1nccn1C ZINC000818342616 1276511874 /nfs/dbraw/zinc/51/18/74/1276511874.db2.gz STPUJIWWUUYYFG-QAPCUYQASA-N 1 0 328.460 2.996 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCCc4c3cnn4C)C2)cc1 ZINC000818345461 1276513415 /nfs/dbraw/zinc/51/34/15/1276513415.db2.gz UVWWLYBFCXAIOR-KXBFYZLASA-N 1 0 340.471 2.922 20 10 EFCDRO CN(C(=O)c1csc(Cc2ccc(N)cc2)n1)C1CCC([NH3+])CC1 ZINC000818528930 1276526432 /nfs/dbraw/zinc/52/64/32/1276526432.db2.gz NUQGFRDIVDLHFK-UHFFFAOYSA-N 1 0 344.484 2.658 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc(C[NH3+])c1 ZINC000818607777 1276545515 /nfs/dbraw/zinc/54/55/15/1276545515.db2.gz CDBGADGFBXIUOZ-UHFFFAOYSA-N 1 0 326.444 2.657 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000818607848 1276545540 /nfs/dbraw/zinc/54/55/40/1276545540.db2.gz GCJKDPKPQWVFNU-INIZCTEOSA-N 1 0 335.517 2.585 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000818608269 1276545703 /nfs/dbraw/zinc/54/57/03/1276545703.db2.gz XHVAHZAMWSFKEB-INIZCTEOSA-N 1 0 339.430 2.734 20 10 EFCDRO CN1CCCc2cc(C[NH2+]C[C@@H](O)COc3ccccc3F)ccc21 ZINC000818985044 1276563396 /nfs/dbraw/zinc/56/33/96/1276563396.db2.gz MDFHNKHTIQSERL-QGZVFWFLSA-N 1 0 344.430 2.738 20 10 EFCDRO CN1CCCc2cc(C[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000818984716 1276563704 /nfs/dbraw/zinc/56/37/04/1276563704.db2.gz DWHIUCNVNAWQOP-IBGZPJMESA-N 1 0 341.411 2.800 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)COCc1ccc(Cl)cc1 ZINC000818997094 1276567071 /nfs/dbraw/zinc/56/70/71/1276567071.db2.gz RNMOIRBTDHYXDI-GOSISDBHSA-N 1 0 347.842 2.942 20 10 EFCDRO CSC[C@@H](O)C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000819002647 1276567632 /nfs/dbraw/zinc/56/76/32/1276567632.db2.gz MMIPMYTZJJGHCQ-AWEZNQCLSA-N 1 0 346.443 2.570 20 10 EFCDRO CC1CCC(O)(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000818967136 1276572937 /nfs/dbraw/zinc/57/29/37/1276572937.db2.gz RYSPTTSQZRMLOX-UHFFFAOYSA-N 1 0 336.451 2.693 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)COCc1ccccc1 ZINC000819094797 1276604026 /nfs/dbraw/zinc/60/40/26/1276604026.db2.gz MOKCNLMDIQBEKH-NRFANRHFSA-N 1 0 338.451 2.730 20 10 EFCDRO Cc1ccccc1OC[C@H](O)C[NH2+]CCCSc1nccs1 ZINC000819063661 1276612496 /nfs/dbraw/zinc/61/24/96/1276612496.db2.gz PEAWTDJSBDIDIT-CQSZACIVSA-N 1 0 338.498 2.963 20 10 EFCDRO CC(C)CC[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819121408 1276639090 /nfs/dbraw/zinc/63/90/90/1276639090.db2.gz JCOSEVTYTOXSKE-KRWDZBQOSA-N 1 0 338.467 2.674 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)c3ccc(F)cc3)C2)cc1 ZINC000819379315 1276764422 /nfs/dbraw/zinc/76/44/22/1276764422.db2.gz FOWPONAGXOREGQ-FOIQADDNSA-N 1 0 344.430 2.984 20 10 EFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)Cc3ccc(F)cc3)CC2)cc1 ZINC000815010450 1287245336 /nfs/dbraw/zinc/24/53/36/1287245336.db2.gz WYVFWGKSCKBHBQ-IBGZPJMESA-N 1 0 344.430 2.560 20 10 EFCDRO CCc1ccc([C@H](CNC(=O)c2c(F)ccc(O)c2O)[NH+](C)C)cc1 ZINC000789946254 1277111455 /nfs/dbraw/zinc/11/14/55/1277111455.db2.gz BWWVMFIYQVIFDH-HNNXBMFYSA-N 1 0 346.402 2.832 20 10 EFCDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923287833 1277500466 /nfs/dbraw/zinc/50/04/66/1277500466.db2.gz XDEJLKODUYUICG-GOSISDBHSA-N 1 0 327.384 2.540 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000790460822 1277545850 /nfs/dbraw/zinc/54/58/50/1277545850.db2.gz QFJVVYHCSCVFSN-OAHLLOKOSA-N 1 0 346.471 2.895 20 10 EFCDRO Cc1cc(C[N@H+](C)CC(=O)NCc2ccccc2)ccc1N(C)C ZINC000815071412 1287297315 /nfs/dbraw/zinc/29/73/15/1287297315.db2.gz JXGQDQFQWMDWHV-UHFFFAOYSA-N 1 0 325.456 2.809 20 10 EFCDRO Cc1cc(C)nc(N2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)n1 ZINC000815075128 1287301738 /nfs/dbraw/zinc/30/17/38/1287301738.db2.gz OXRMNHSQZULGOW-UHFFFAOYSA-N 1 0 339.487 2.790 20 10 EFCDRO Cc1cc(C[NH+]2CCN(c3cncc(F)c3)CC2)ccc1N(C)C ZINC000815078826 1287303863 /nfs/dbraw/zinc/30/38/63/1287303863.db2.gz HTLRXPBNSMTMBC-UHFFFAOYSA-N 1 0 328.435 2.917 20 10 EFCDRO C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000790992269 1277895167 /nfs/dbraw/zinc/89/51/67/1277895167.db2.gz WEKXUAVYSFKKAP-UHFFFAOYSA-N 1 0 343.874 2.690 20 10 EFCDRO C[C@@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)[NH+]1CCCCC1 ZINC000746975394 1277943629 /nfs/dbraw/zinc/94/36/29/1277943629.db2.gz IUXQIXOIJGGKDO-AWEZNQCLSA-N 1 0 336.455 2.565 20 10 EFCDRO C[C@H]1CCC[N@H+](CCNC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000746983158 1277962794 /nfs/dbraw/zinc/96/27/94/1277962794.db2.gz UILANUMHINAFMN-INIZCTEOSA-N 1 0 344.503 2.600 20 10 EFCDRO CCN(C)c1ccc(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1 ZINC000815104728 1287326060 /nfs/dbraw/zinc/32/60/60/1287326060.db2.gz SHLGDOKPJDORRU-KRWDZBQOSA-N 1 0 331.504 2.828 20 10 EFCDRO Cc1cc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)ccc1N(C)C ZINC000815104363 1287326250 /nfs/dbraw/zinc/32/62/50/1287326250.db2.gz IUBKNXZUEDEVLH-SFHVURJKSA-N 1 0 344.503 2.639 20 10 EFCDRO COCC[NH+](CCOC)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792767782 1279164130 /nfs/dbraw/zinc/16/41/30/1279164130.db2.gz WGIJYCSYUINLFK-UHFFFAOYSA-N 1 0 334.382 2.866 20 10 EFCDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000815108474 1287329725 /nfs/dbraw/zinc/32/97/25/1287329725.db2.gz XHQUBDSZXJKDPZ-HXUWFJFHSA-N 1 0 348.487 2.934 20 10 EFCDRO O=S1(=O)CCC[C@H](C[N@@H+](Cc2ccccc2O)C2CCCC2)C1 ZINC000792868367 1279202966 /nfs/dbraw/zinc/20/29/66/1279202966.db2.gz UMGCZSGFPNDGPH-OAHLLOKOSA-N 1 0 337.485 2.962 20 10 EFCDRO CC(C)C(=O)NCC[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792841846 1279211931 /nfs/dbraw/zinc/21/19/31/1279211931.db2.gz OIBDZYWPNNOLOU-UHFFFAOYSA-N 1 0 345.409 2.975 20 10 EFCDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(OC)cc1O ZINC000792921265 1279276539 /nfs/dbraw/zinc/27/65/39/1279276539.db2.gz DSHQCSZTBPZXSZ-MRXNPFEDSA-N 1 0 349.475 2.855 20 10 EFCDRO CC(C)n1nccc1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000792931051 1279283304 /nfs/dbraw/zinc/28/33/04/1279283304.db2.gz RUDPCHXTIJTQEA-UHFFFAOYSA-N 1 0 342.487 2.963 20 10 EFCDRO O=C(NCCC[NH+]1CCCCC1)NCc1cc(Cl)ccc1O ZINC000844864054 1279297684 /nfs/dbraw/zinc/29/76/84/1279297684.db2.gz HPPYEEJPYBNETA-UHFFFAOYSA-N 1 0 325.840 2.721 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@H]3CC3(F)F)C2)cc1C ZINC001091019232 1279302684 /nfs/dbraw/zinc/30/26/84/1279302684.db2.gz OEWQBCJKLIGSOB-YMAMQOFZSA-N 1 0 338.398 2.643 20 10 EFCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)c1 ZINC000792985544 1279315621 /nfs/dbraw/zinc/31/56/21/1279315621.db2.gz ZRZDQQADUASVNB-UHFFFAOYSA-N 1 0 344.802 2.925 20 10 EFCDRO CC(C)N1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1=O ZINC000792989750 1279317502 /nfs/dbraw/zinc/31/75/02/1279317502.db2.gz LFDWXABNUTUIQS-CYBMUJFWSA-N 1 0 343.393 2.870 20 10 EFCDRO CN(CC[NH+]1CCCCC1)C(=O)NCCCSc1nccs1 ZINC000845048140 1279415665 /nfs/dbraw/zinc/41/56/65/1279415665.db2.gz ZMLANPTWBKDZNL-UHFFFAOYSA-N 1 0 342.534 2.753 20 10 EFCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(OC)c2O)s1 ZINC000793207913 1279466660 /nfs/dbraw/zinc/46/66/60/1279466660.db2.gz ULPLGJXQHRSOPT-UHFFFAOYSA-N 1 0 341.454 2.546 20 10 EFCDRO Cc1ccc(O)c(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000793265402 1279486829 /nfs/dbraw/zinc/48/68/29/1279486829.db2.gz INVATHBHTRVFQN-OAHLLOKOSA-N 1 0 349.228 2.779 20 10 EFCDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(OC)cc2O)cc1 ZINC000793390903 1279617341 /nfs/dbraw/zinc/61/73/41/1279617341.db2.gz UPUUOWYJAUWQPH-ZDUSSCGKSA-N 1 0 344.411 2.916 20 10 EFCDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(OC)cc2O)cc1 ZINC000793390902 1279618536 /nfs/dbraw/zinc/61/85/36/1279618536.db2.gz UPUUOWYJAUWQPH-CYBMUJFWSA-N 1 0 344.411 2.916 20 10 EFCDRO CC(C)([NH2+]Cc1cc(Br)ccc1O)C(=O)N1CCCC1 ZINC000793395286 1279627690 /nfs/dbraw/zinc/62/76/90/1279627690.db2.gz JEGKOMRAJGCJGM-UHFFFAOYSA-N 1 0 341.249 2.645 20 10 EFCDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)n(C)n1 ZINC000793519277 1279713695 /nfs/dbraw/zinc/71/36/95/1279713695.db2.gz BWRGOXYEQCREJZ-INIZCTEOSA-N 1 0 342.487 2.788 20 10 EFCDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)n(C)n1 ZINC000793524841 1279716317 /nfs/dbraw/zinc/71/63/17/1279716317.db2.gz USYRUAWEIIONJZ-AWEZNQCLSA-N 1 0 332.423 2.555 20 10 EFCDRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n(C)n1 ZINC000793524732 1279717161 /nfs/dbraw/zinc/71/71/61/1279717161.db2.gz HPKXVWWNEQWXAT-HZPDHXFCSA-N 1 0 328.460 2.977 20 10 EFCDRO CCOc1ccccc1N1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144499119 1279740926 /nfs/dbraw/zinc/74/09/26/1279740926.db2.gz AJONQTPEFGQVSA-UHFFFAOYSA-N 1 0 344.411 2.524 20 10 EFCDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000793593253 1279762243 /nfs/dbraw/zinc/76/22/43/1279762243.db2.gz WVDPMMOFJQKEQP-QZTJIDSGSA-N 1 0 331.504 2.564 20 10 EFCDRO C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144520569 1279764008 /nfs/dbraw/zinc/76/40/08/1279764008.db2.gz VBLYGSQROHRKMO-CYBMUJFWSA-N 1 0 346.402 2.821 20 10 EFCDRO COc1cccc(O[C@@H]2CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)c1 ZINC001144509187 1279768794 /nfs/dbraw/zinc/76/87/94/1279768794.db2.gz OGUCYBYOPCBZAJ-MRXNPFEDSA-N 1 0 345.395 2.855 20 10 EFCDRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000793609531 1279772850 /nfs/dbraw/zinc/77/28/50/1279772850.db2.gz LTURWXQYWYSBJF-KDOFPFPSSA-N 1 0 343.423 2.911 20 10 EFCDRO CC(=O)C1(c2ccccc2)CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144514842 1279773799 /nfs/dbraw/zinc/77/37/99/1279773799.db2.gz URGYIGPJZKDELL-UHFFFAOYSA-N 1 0 341.407 2.926 20 10 EFCDRO CC[N@H+](Cc1c(O)cc(O)cc1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC001144514828 1279775087 /nfs/dbraw/zinc/77/50/87/1279775087.db2.gz UCUYEOAMSNISQT-INIZCTEOSA-N 1 0 342.439 2.900 20 10 EFCDRO Cc1cccc(C)c1N1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144516473 1279779516 /nfs/dbraw/zinc/77/95/16/1279779516.db2.gz ZFRUUKZGQIYGAV-UHFFFAOYSA-N 1 0 328.412 2.742 20 10 EFCDRO Cc1cc(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000793700946 1279832623 /nfs/dbraw/zinc/83/26/23/1279832623.db2.gz BKECVABILBBNGY-AWEZNQCLSA-N 1 0 339.501 2.865 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2c(O)cccc2OC)cc1 ZINC000846051739 1280001299 /nfs/dbraw/zinc/00/12/99/1280001299.db2.gz HSUSWMMRBNWPJP-UHFFFAOYSA-N 1 0 330.428 2.978 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc(N(C)C)nc2)cc1 ZINC000846051353 1280002733 /nfs/dbraw/zinc/00/27/33/1280002733.db2.gz GJSNUKMHHOSPGV-UHFFFAOYSA-N 1 0 328.460 2.724 20 10 EFCDRO COc1cccc(C[N@@H+]2CCN(C)C[C@@H]2Cc2ccccc2)c1O ZINC000846066777 1280017290 /nfs/dbraw/zinc/01/72/90/1280017290.db2.gz GAJSYJCRUDGIBD-SFHVURJKSA-N 1 0 326.440 2.760 20 10 EFCDRO COc1cccc(C[N@@H+]2CCN(C)C[C@H]2Cc2ccccc2)c1O ZINC000846066776 1280017522 /nfs/dbraw/zinc/01/75/22/1280017522.db2.gz GAJSYJCRUDGIBD-GOSISDBHSA-N 1 0 326.440 2.760 20 10 EFCDRO CN(CC[NH+]1CCCCC1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000846114057 1280022596 /nfs/dbraw/zinc/02/25/96/1280022596.db2.gz FOTQRRNZTVLRBJ-UHFFFAOYSA-N 1 0 335.467 2.580 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2=O)c1O ZINC000846148512 1280036836 /nfs/dbraw/zinc/03/68/36/1280036836.db2.gz FUCJOIDZZOAKNN-CJNGLKHVSA-N 1 0 326.396 2.857 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(C3CCCCC3)C2=O)c1O ZINC000846152270 1280038156 /nfs/dbraw/zinc/03/81/56/1280038156.db2.gz ABHBGBSVSPMHHE-BBRMVZONSA-N 1 0 332.444 2.985 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c1O ZINC000846151469 1280038868 /nfs/dbraw/zinc/03/88/68/1280038868.db2.gz YWMIPNUBVJASIN-XIRDDKMYSA-N 1 0 334.460 2.695 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)c1O ZINC000846158236 1280041611 /nfs/dbraw/zinc/04/16/11/1280041611.db2.gz VKJOHMSGCSOXNL-LBPRGKRZSA-N 1 0 336.432 2.918 20 10 EFCDRO C[C@@H](NC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000846159459 1280041738 /nfs/dbraw/zinc/04/17/38/1280041738.db2.gz GHXMSJLEHAIMAH-ALKREAHSSA-N 1 0 330.476 2.584 20 10 EFCDRO COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846162086 1280043158 /nfs/dbraw/zinc/04/31/58/1280043158.db2.gz AIAWAHGJJKNHHM-QWHCGFSZSA-N 1 0 336.432 2.918 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)c1O ZINC000846164031 1280043204 /nfs/dbraw/zinc/04/32/04/1280043204.db2.gz LXSCUGVTJODQEL-CYBMUJFWSA-N 1 0 330.432 2.752 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)c1O ZINC000846169116 1280045136 /nfs/dbraw/zinc/04/51/36/1280045136.db2.gz OUFBEFLDUFHYJF-HEHGZKQESA-N 1 0 331.416 2.705 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1O ZINC000846171709 1280047399 /nfs/dbraw/zinc/04/73/99/1280047399.db2.gz VUAUNSXBHAWJEC-YYWXWVFPSA-N 1 0 348.443 2.917 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)c1O ZINC000846171825 1280047466 /nfs/dbraw/zinc/04/74/66/1280047466.db2.gz IBRCALDOMUASIU-MLGOLLRUSA-N 1 0 344.386 2.996 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]CCn2cc(Br)cn2)c1O ZINC000846173561 1280048371 /nfs/dbraw/zinc/04/83/71/1280048371.db2.gz SQLCNUNDBLDARA-SNVBAGLBSA-N 1 0 340.221 2.711 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]CCS(=O)(=O)Cc2ccccc2)c1O ZINC000846141864 1280050218 /nfs/dbraw/zinc/05/02/18/1280050218.db2.gz AZKRZITZRGXAHE-CQSZACIVSA-N 1 0 349.452 2.666 20 10 EFCDRO C[C@H]([NH2+][C@@H](CO)CCF)c1ccc(N2CCOCC2)cc1Cl ZINC000846207697 1280055529 /nfs/dbraw/zinc/05/55/29/1280055529.db2.gz BUDZTDYKKNPOBD-QWHCGFSZSA-N 1 0 330.831 2.548 20 10 EFCDRO C[C@H]([NH2+][C@H](CO)CCF)c1ccc(N2CCOCC2)cc1Cl ZINC000846207698 1280055727 /nfs/dbraw/zinc/05/57/27/1280055727.db2.gz BUDZTDYKKNPOBD-STQMWFEESA-N 1 0 330.831 2.548 20 10 EFCDRO C[C@@H]([NH2+][C@H](CO)CCF)c1ccc(N2CCOCC2)cc1Cl ZINC000846207696 1280055854 /nfs/dbraw/zinc/05/58/54/1280055854.db2.gz BUDZTDYKKNPOBD-OLZOCXBDSA-N 1 0 330.831 2.548 20 10 EFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCCC2=O)c1O ZINC000846205125 1280070229 /nfs/dbraw/zinc/07/02/29/1280070229.db2.gz FCDWGZPLWCQGML-LLVKDONJSA-N 1 0 341.249 2.736 20 10 EFCDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CCO1 ZINC000872028712 1287405807 /nfs/dbraw/zinc/40/58/07/1287405807.db2.gz SHJFRAXEJMRNAQ-GOSISDBHSA-N 1 0 332.488 2.943 20 10 EFCDRO CCCNC(=O)CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000846824060 1280518436 /nfs/dbraw/zinc/51/84/36/1280518436.db2.gz GSFBOWFOUIZTRN-KRWDZBQOSA-N 1 0 334.460 2.680 20 10 EFCDRO CC[N@H+](CCCC(=O)N(C)C)Cc1cc(Br)ccc1O ZINC000846806095 1280539551 /nfs/dbraw/zinc/53/95/51/1280539551.db2.gz DHMJZZZWJQHOAS-UHFFFAOYSA-N 1 0 343.265 2.845 20 10 EFCDRO CC[N@H+](CC[C@@H]1CCNC1=O)Cc1cc(Br)ccc1O ZINC000846809108 1280543653 /nfs/dbraw/zinc/54/36/53/1280543653.db2.gz MOLPRMPBIQRCCL-NSHDSACASA-N 1 0 341.249 2.503 20 10 EFCDRO CCN(C)c1ccc(C[NH+]2CCC(N3CCOC[C@@H]3C)CC2)cc1 ZINC000846914091 1280637389 /nfs/dbraw/zinc/63/73/89/1280637389.db2.gz WUGZNQWEPCFBRO-KRWDZBQOSA-N 1 0 331.504 2.828 20 10 EFCDRO COCC1(C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001134992896 1287445044 /nfs/dbraw/zinc/44/50/44/1287445044.db2.gz CGZJSUDBZHZYKT-HOTGVXAUSA-N 1 0 348.487 2.803 20 10 EFCDRO OC[C@@H](CC(F)(F)F)[NH2+]Cc1c(O)cccc1Br ZINC000717713284 1280818953 /nfs/dbraw/zinc/81/89/53/1280818953.db2.gz LJPDOUDIVRJBKQ-SSDOTTSWSA-N 1 0 328.128 2.558 20 10 EFCDRO CC[NH+]1CCC(C(=O)NCc2cc(Cl)c3cccnc3c2O)CC1 ZINC001146788148 1281045871 /nfs/dbraw/zinc/04/58/71/1281045871.db2.gz OHSVGJSCSIUQAO-UHFFFAOYSA-N 1 0 347.846 2.942 20 10 EFCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000806634384 1281118482 /nfs/dbraw/zinc/11/84/82/1281118482.db2.gz KHXDXBFXBOMKAD-HNNXBMFYSA-N 1 0 336.455 2.565 20 10 EFCDRO CSCC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)C(=O)N(C)C ZINC000806663523 1281128576 /nfs/dbraw/zinc/12/85/76/1281128576.db2.gz XILBIHWSDVFMEE-MFKMUULPSA-N 1 0 330.881 2.906 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cnn(C(C)C)c2C)cc1C ZINC001147314031 1281151995 /nfs/dbraw/zinc/15/19/95/1281151995.db2.gz LZQGGCLUENAJGD-UHFFFAOYSA-N 1 0 344.459 2.609 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000806820027 1281158749 /nfs/dbraw/zinc/15/87/49/1281158749.db2.gz AUJJHZYLVWOSQV-VQIMIIECSA-N 1 0 344.503 2.829 20 10 EFCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000806821922 1281159827 /nfs/dbraw/zinc/15/98/27/1281159827.db2.gz RNGYENLXIUTJEX-SFHVURJKSA-N 1 0 332.492 2.735 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc(C)ccc2OC)cc1C ZINC001130983797 1281346739 /nfs/dbraw/zinc/34/67/39/1281346739.db2.gz NSEJKKPYIFZCLC-UHFFFAOYSA-N 1 0 342.439 2.840 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000103608294 1281362628 /nfs/dbraw/zinc/36/26/28/1281362628.db2.gz NOAYOIKFNMLNLJ-CABCVRRESA-N 1 0 349.475 2.883 20 10 EFCDRO CCCc1nc(C)c(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001147950010 1281374823 /nfs/dbraw/zinc/37/48/23/1281374823.db2.gz JYRKKWHFBYMUQC-UHFFFAOYSA-N 1 0 345.443 2.772 20 10 EFCDRO CN(CC1CC[NH+](C)CC1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000103612630 1281413550 /nfs/dbraw/zinc/41/35/50/1281413550.db2.gz HLAPVUJZBWMGCO-UHFFFAOYSA-N 1 0 344.503 2.552 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@]23CCO[C@H]2CCCC3)cc1C ZINC001131212326 1281613692 /nfs/dbraw/zinc/61/36/92/1281613692.db2.gz NONGPWPSWPOWBV-ICSRJNTNSA-N 1 0 346.471 2.559 20 10 EFCDRO CC(C)[C@@H](CO)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000808422080 1281710127 /nfs/dbraw/zinc/71/01/27/1281710127.db2.gz WFVIRGJUDHOGKV-MRXNPFEDSA-N 1 0 335.448 2.939 20 10 EFCDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(N(C)C)c(F)c3)[C@@H]2C1 ZINC000808445222 1281714307 /nfs/dbraw/zinc/71/43/07/1281714307.db2.gz BKXXSBUCXVHSHH-LZLYRXPVSA-N 1 0 333.451 2.628 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]CC2=CCCOC2)c1O ZINC000808429532 1281725736 /nfs/dbraw/zinc/72/57/36/1281725736.db2.gz DAQJBPGPEVNCCX-UHFFFAOYSA-N 1 0 328.206 2.600 20 10 EFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)c1O ZINC000808707768 1281867207 /nfs/dbraw/zinc/86/72/07/1281867207.db2.gz YFJINIYFENMXRX-ABAIWWIYSA-N 1 0 348.834 2.544 20 10 EFCDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808712764 1281869175 /nfs/dbraw/zinc/86/91/75/1281869175.db2.gz BFSUSTWERLVXMT-DAXOMENPSA-N 1 0 343.851 2.825 20 10 EFCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808712765 1281869912 /nfs/dbraw/zinc/86/99/12/1281869912.db2.gz BFSUSTWERLVXMT-UHOFOFEASA-N 1 0 343.851 2.825 20 10 EFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c1O ZINC000808717332 1281871073 /nfs/dbraw/zinc/87/10/73/1281871073.db2.gz CEDABUQNLBMMHJ-LLVKDONJSA-N 1 0 331.865 2.972 20 10 EFCDRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808718675 1281871804 /nfs/dbraw/zinc/87/18/04/1281871804.db2.gz PZZUVPJMWDEFMH-MFKMUULPSA-N 1 0 330.881 2.872 20 10 EFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1O ZINC000808719611 1281872730 /nfs/dbraw/zinc/87/27/30/1281872730.db2.gz WSROIBRBUVLDMG-NEPJUHHUSA-N 1 0 331.865 2.829 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)c1 ZINC000808722559 1281873064 /nfs/dbraw/zinc/87/30/64/1281873064.db2.gz FTXGCBPJQCMZNH-WPPQDWHVSA-N 1 0 332.444 2.698 20 10 EFCDRO CC[C@@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1O)C(=O)N1CCOCC1 ZINC000808700380 1281878829 /nfs/dbraw/zinc/87/88/29/1281878829.db2.gz FONGEBUAUPVAPS-IUODEOHRSA-N 1 0 340.851 2.642 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2c(C)onc2C2CC2)cc1C ZINC001131439178 1281881259 /nfs/dbraw/zinc/88/12/59/1281881259.db2.gz YNGSRTHZBOZNNF-UHFFFAOYSA-N 1 0 343.427 2.697 20 10 EFCDRO Cc1cccc(C[NH2+]CCNC(=O)CCCc2ccccc2)c1O ZINC000822497880 1289016519 /nfs/dbraw/zinc/01/65/19/1289016519.db2.gz MWWQXKQCNCNVAJ-UHFFFAOYSA-N 1 0 326.440 2.929 20 10 EFCDRO CN(C)C(=O)C[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809540968 1282277559 /nfs/dbraw/zinc/27/75/59/1282277559.db2.gz BLZDVDIFCZCRRB-UHFFFAOYSA-N 1 0 337.467 2.769 20 10 EFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)c1O ZINC000809560662 1282282308 /nfs/dbraw/zinc/28/23/08/1282282308.db2.gz OPZPXZDZTZVIFI-JSGCOSHPSA-N 1 0 337.313 2.771 20 10 EFCDRO c1csc(SCCC[NH2+]Cc2ncc(C3OCCO3)s2)n1 ZINC000809622765 1282341661 /nfs/dbraw/zinc/34/16/61/1282341661.db2.gz KGGSAFFMQMEFPG-UHFFFAOYSA-N 1 0 343.499 2.917 20 10 EFCDRO CC(C)(CO)[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000809655656 1282373437 /nfs/dbraw/zinc/37/34/37/1282373437.db2.gz NVTRIRYVDPGCEY-GOSISDBHSA-N 1 0 329.396 2.970 20 10 EFCDRO CCOc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000809735235 1282414181 /nfs/dbraw/zinc/41/41/81/1282414181.db2.gz WPUXIEOAFXFSAM-UHFFFAOYSA-N 1 0 331.372 2.664 20 10 EFCDRO [NH3+]CCN(C/C=C\c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000809734964 1282414343 /nfs/dbraw/zinc/41/43/43/1282414343.db2.gz OWIKXSRTAFUTLW-HYXAFXHYSA-N 1 0 342.355 2.982 20 10 EFCDRO COc1cc(O)c(C[NH2+]Cc2ccc(C[S@@](C)=O)cc2)cc1OC ZINC000809717863 1282424912 /nfs/dbraw/zinc/42/49/12/1282424912.db2.gz BXALDPFNYANBDP-XMMPIXPASA-N 1 0 349.452 2.578 20 10 EFCDRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2cccc(C)c2O)s1 ZINC000809721297 1282425680 /nfs/dbraw/zinc/42/56/80/1282425680.db2.gz PFIUMHTXNCFEGO-NWDGAFQWSA-N 1 0 348.472 2.867 20 10 EFCDRO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000809723326 1282427118 /nfs/dbraw/zinc/42/71/18/1282427118.db2.gz GVRLJGJOFVRGHY-HNNXBMFYSA-N 1 0 336.432 2.844 20 10 EFCDRO Cc1cc(Br)cc(C[N@@H+](C)[C@@H](CO)COC(C)C)c1O ZINC000809768349 1282430291 /nfs/dbraw/zinc/43/02/91/1282430291.db2.gz ISBWBHGDNGSWNC-AWEZNQCLSA-N 1 0 346.265 2.681 20 10 EFCDRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccc(Cl)c1[O-] ZINC000809737937 1282437521 /nfs/dbraw/zinc/43/75/21/1282437521.db2.gz MSWZIWWYGJZKOP-INIZCTEOSA-N 1 0 339.911 2.894 20 10 EFCDRO COCC[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccnc1 ZINC000809741834 1282443428 /nfs/dbraw/zinc/44/34/28/1282443428.db2.gz YNTYLRCHLDAKID-UHFFFAOYSA-N 1 0 341.455 2.567 20 10 EFCDRO O[C@@H](CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000809747511 1282447163 /nfs/dbraw/zinc/44/71/63/1282447163.db2.gz BNZRTBORMWJBFE-FQEVSTJZSA-N 1 0 344.430 2.876 20 10 EFCDRO C[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)C(F)(F)F ZINC000809750816 1282454698 /nfs/dbraw/zinc/45/46/98/1282454698.db2.gz JEVVJXDESGIBTM-JTQLQIEISA-N 1 0 328.128 2.510 20 10 EFCDRO CCO[C@@H](C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1)C1CCCC1 ZINC001131893206 1282513398 /nfs/dbraw/zinc/51/33/98/1282513398.db2.gz BUPHPHYEQRWXAD-LJQANCHMSA-N 1 0 348.487 2.805 20 10 EFCDRO C[N@H+](C[C@H](O)CN1CCCc2cc(OC(F)(F)F)ccc21)C1CC1 ZINC000809955457 1282681836 /nfs/dbraw/zinc/68/18/36/1282681836.db2.gz IZPYLEDCXXTFAE-AWEZNQCLSA-N 1 0 344.377 2.793 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@]1(C)CCCO1 ZINC000815564696 1287598176 /nfs/dbraw/zinc/59/81/76/1287598176.db2.gz PSFMXLSRBCGVAS-UZLBHIALSA-N 1 0 332.488 2.943 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc(F)ccc2OC)cc1C ZINC001132093034 1282908457 /nfs/dbraw/zinc/90/84/57/1282908457.db2.gz JVFLTGJAXVVAHB-UHFFFAOYSA-N 1 0 346.402 2.671 20 10 EFCDRO C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815577441 1287608859 /nfs/dbraw/zinc/60/88/59/1287608859.db2.gz QCSYGUDBPWTWCI-OLZOCXBDSA-N 1 0 345.409 2.698 20 10 EFCDRO CCCCN(C)C[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000810162986 1282997436 /nfs/dbraw/zinc/99/74/36/1282997436.db2.gz HXCCDYMXQJWMJN-MRXNPFEDSA-N 1 0 337.483 2.872 20 10 EFCDRO CCC[N@H+](CC)C[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000810181164 1283008354 /nfs/dbraw/zinc/00/83/54/1283008354.db2.gz VTXFBCQJFRDWBU-INIZCTEOSA-N 1 0 337.483 2.872 20 10 EFCDRO CC[C@@H]([NH2+]CCS(=O)(=O)CC)c1ccc(C(F)(F)F)cc1O ZINC000810215694 1283040613 /nfs/dbraw/zinc/04/06/13/1283040613.db2.gz JYYQVKYDMDSYLL-GFCCVEGCSA-N 1 0 339.379 2.886 20 10 EFCDRO CC[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000810227675 1283055637 /nfs/dbraw/zinc/05/56/37/1283055637.db2.gz HCGYCESXGWKOQZ-CABZTGNLSA-N 1 0 339.379 2.885 20 10 EFCDRO CC[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000810227677 1283056621 /nfs/dbraw/zinc/05/66/21/1283056621.db2.gz HCGYCESXGWKOQZ-JOYOIKCWSA-N 1 0 339.379 2.885 20 10 EFCDRO CCc1nnc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000810259100 1283074310 /nfs/dbraw/zinc/07/43/10/1283074310.db2.gz BGAWCSIEKFJVMR-UHFFFAOYSA-N 1 0 332.473 2.868 20 10 EFCDRO CC[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1ccc(C(F)(F)F)cc1O ZINC000810238652 1283090236 /nfs/dbraw/zinc/09/02/36/1283090236.db2.gz RRKOSTKXFQLCJY-RIEGTJTDSA-N 1 0 333.350 2.992 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815594502 1287619269 /nfs/dbraw/zinc/61/92/69/1287619269.db2.gz QHKODEBXNWAQTR-QMTHXVAHSA-N 1 0 333.350 2.849 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2csnn2)cc1C ZINC001135106727 1287630194 /nfs/dbraw/zinc/63/01/94/1287630194.db2.gz QFNKYUVXWDJPQR-QWHCGFSZSA-N 1 0 348.472 2.542 20 10 EFCDRO COc1ccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1C ZINC000815573842 1287631167 /nfs/dbraw/zinc/63/11/67/1287631167.db2.gz VTJFOMHDZHTIQM-UHFFFAOYSA-N 1 0 325.474 2.697 20 10 EFCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c(O)c1 ZINC000815573660 1287631230 /nfs/dbraw/zinc/63/12/30/1287631230.db2.gz PUDIJCUBIUCXGF-IAGOWNOFSA-N 1 0 347.503 2.602 20 10 EFCDRO [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000715779450 1284329824 /nfs/dbraw/zinc/32/98/24/1284329824.db2.gz PFJZZKZVJHVHTP-JTQLQIEISA-N 1 0 343.240 2.868 20 10 EFCDRO C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715793487 1284331881 /nfs/dbraw/zinc/33/18/81/1284331881.db2.gz VYZBUDUACCHPNV-SNVBAGLBSA-N 1 0 331.229 2.725 20 10 EFCDRO Oc1cc2c(cc1C[NH2+]C1CC(OCc3ccccc3)C1)OCO2 ZINC000716170148 1284476485 /nfs/dbraw/zinc/47/64/85/1284476485.db2.gz KVUHYMIHRALLJB-UHFFFAOYSA-N 1 0 327.380 2.958 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C)C[C@H]2C)cc1C ZINC001093973528 1284700341 /nfs/dbraw/zinc/70/03/41/1284700341.db2.gz ZPWYXMXCSBWTFA-NZPGVSJUSA-N 1 0 330.472 2.844 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)Cc2ccc(F)c(F)c2)cc1C ZINC001133045188 1284709057 /nfs/dbraw/zinc/70/90/57/1284709057.db2.gz MAAUFMYDGWSOBK-UHFFFAOYSA-N 1 0 348.393 2.730 20 10 EFCDRO Oc1ccc([C@H](O)C[NH2+][C@H]2CCc3cc(F)cc(F)c3C2)cc1O ZINC001170654883 1284779962 /nfs/dbraw/zinc/77/99/62/1284779962.db2.gz MWPFGUBKCUWIRZ-SCLBCKFNSA-N 1 0 335.350 2.557 20 10 EFCDRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000811977315 1284790470 /nfs/dbraw/zinc/79/04/70/1284790470.db2.gz DTHSZAJJUZUEBE-INIZCTEOSA-N 1 0 346.519 2.989 20 10 EFCDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000811973366 1284791097 /nfs/dbraw/zinc/79/10/97/1284791097.db2.gz DTHSZAJJUZUEBE-MRXNPFEDSA-N 1 0 346.519 2.989 20 10 EFCDRO Oc1ccc([C@@H](O)C[NH2+][C@H]2CCc3cc(F)c(F)cc3C2)cc1O ZINC001171447294 1285216521 /nfs/dbraw/zinc/21/65/21/1285216521.db2.gz ZUNHESTUXMNZND-UGSOOPFHSA-N 1 0 335.350 2.557 20 10 EFCDRO CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1C ZINC001133353549 1285246783 /nfs/dbraw/zinc/24/67/83/1285246783.db2.gz DNMCXBCUYHOWJD-DZGCQCFKSA-N 1 0 345.447 2.947 20 10 EFCDRO COc1ccc(O)c(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1 ZINC000812778010 1285411786 /nfs/dbraw/zinc/41/17/86/1285411786.db2.gz DYOWBAPSRZXOQX-KRWDZBQOSA-N 1 0 328.412 2.580 20 10 EFCDRO CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)c(O)c1 ZINC000812782929 1285416475 /nfs/dbraw/zinc/41/64/75/1285416475.db2.gz PJZLKSBILYIZEO-CQSZACIVSA-N 1 0 344.386 2.825 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](C)c2cccnc2)cc1C ZINC001171503409 1285611615 /nfs/dbraw/zinc/61/16/15/1285611615.db2.gz LDVRLBZEIKONQW-INIZCTEOSA-N 1 0 341.455 2.798 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2cc(C)on2)cc1C ZINC001133602120 1285645559 /nfs/dbraw/zinc/64/55/59/1285645559.db2.gz BTMPINIQQYKIJT-KBPBESRZSA-N 1 0 345.443 2.987 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)C[C@@](C)(O)c2ccccc2)cc1OC ZINC000822515475 1289022696 /nfs/dbraw/zinc/02/26/96/1289022696.db2.gz BDVYHPAXHIQGKW-LJQANCHMSA-N 1 0 331.412 2.749 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ncccc2Cl)cc1C ZINC001171673368 1285706146 /nfs/dbraw/zinc/70/61/46/1285706146.db2.gz LHGWVZUYFSGTIJ-UHFFFAOYSA-N 1 0 347.846 2.962 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]CCc2cc(O)c(O)cc2O)CN1Cc1ccccc1 ZINC001171727362 1285744819 /nfs/dbraw/zinc/74/48/19/1285744819.db2.gz CHALFVFELRPZDR-PBHICJAKSA-N 1 0 342.439 2.599 20 10 EFCDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc(O)c(O)c2)CN1Cc1ccccc1 ZINC001171728214 1285746172 /nfs/dbraw/zinc/74/61/72/1285746172.db2.gz LMVLJFLUUAXTMS-MAUKXSAKSA-N 1 0 326.440 2.893 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)cc1C ZINC001171694129 1285754922 /nfs/dbraw/zinc/75/49/22/1285754922.db2.gz NWHBWSOUNWIBHU-AWEZNQCLSA-N 1 0 334.416 2.629 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)cc1C ZINC001171694132 1285755097 /nfs/dbraw/zinc/75/50/97/1285755097.db2.gz NWHBWSOUNWIBHU-CQSZACIVSA-N 1 0 334.416 2.629 20 10 EFCDRO Cc1cc(C)c(C[NH2+][C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001171695059 1285756923 /nfs/dbraw/zinc/75/69/23/1285756923.db2.gz SLPHEBBOCRGHQU-ZDUSSCGKSA-N 1 0 334.416 2.635 20 10 EFCDRO Cc1cc(CNC[C@H](O)C[NH+]2CCCC2)c(C)n1-c1cccc(C)c1 ZINC000747854570 1285875627 /nfs/dbraw/zinc/87/56/27/1285875627.db2.gz OWJOHDMBRUYOMQ-NRFANRHFSA-N 1 0 341.499 2.949 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)CSC)C3)cc1C ZINC001094851454 1285906625 /nfs/dbraw/zinc/90/66/25/1285906625.db2.gz FGDYQQDWMOYATG-BBWFWOEESA-N 1 0 348.512 2.836 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)COCC2CC2)cc1C ZINC001133779001 1285917658 /nfs/dbraw/zinc/91/76/58/1285917658.db2.gz JNWJDHYMSNKBDW-HOTGVXAUSA-N 1 0 348.487 2.803 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2ncsc2C2CC2)cc1C ZINC001133781707 1285928962 /nfs/dbraw/zinc/92/89/62/1285928962.db2.gz MYOZHNUVCYBTIR-UHFFFAOYSA-N 1 0 345.468 2.857 20 10 EFCDRO C[NH+](C)C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000813617898 1286026392 /nfs/dbraw/zinc/02/63/92/1286026392.db2.gz FECWNYMPWNSEGQ-FIRRRZPPSA-N 1 0 344.386 2.669 20 10 EFCDRO C[C@@H](NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccc(N(C)C)cc1 ZINC000813720983 1286072982 /nfs/dbraw/zinc/07/29/82/1286072982.db2.gz ZNIQYMXKKDOVDE-DNVCBOLYSA-N 1 0 330.476 2.551 20 10 EFCDRO COCC1(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CCOCC1 ZINC000813780506 1286115072 /nfs/dbraw/zinc/11/50/72/1286115072.db2.gz DCLVQBFLPPWOPX-UHFFFAOYSA-N 1 0 348.487 2.697 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2cocn2)cc1C ZINC001133945817 1286154490 /nfs/dbraw/zinc/15/44/90/1286154490.db2.gz NFHCJKQLYALHDZ-KBPBESRZSA-N 1 0 331.416 2.678 20 10 EFCDRO COC(=O)N1CCC([N@H+](C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001172736461 1286249518 /nfs/dbraw/zinc/24/95/18/1286249518.db2.gz WBNKHVSSXJXTJL-UHFFFAOYSA-N 1 0 331.460 2.949 20 10 EFCDRO CCC[N@H+](CC(N)=O)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000814177994 1286361139 /nfs/dbraw/zinc/36/11/39/1286361139.db2.gz YBDRPDJRWBWLPX-UHFFFAOYSA-N 1 0 337.467 2.947 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@@H]3CCc4ncsc4C3)CC2)cc1 ZINC001173131241 1286418978 /nfs/dbraw/zinc/41/89/78/1286418978.db2.gz BQFIZZISASFGNQ-OAHLLOKOSA-N 1 0 329.469 2.831 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC(C)(C)O)cc1C ZINC001134240249 1286501950 /nfs/dbraw/zinc/50/19/50/1286501950.db2.gz OGAIROMMKGILBE-GJZGRUSLSA-N 1 0 336.476 2.538 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]Cc2cccc(F)n2)c1O ZINC000747937162 1286536865 /nfs/dbraw/zinc/53/68/65/1286536865.db2.gz FSZHSIGGAVAEPP-UHFFFAOYSA-N 1 0 341.180 2.987 20 10 EFCDRO CCOc1cccc(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001134385446 1286631554 /nfs/dbraw/zinc/63/15/54/1286631554.db2.gz YGKGAAMFYCSSDB-UHFFFAOYSA-N 1 0 342.439 2.922 20 10 EFCDRO CCOC(=O)C[C@H]1CC[C@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001173661072 1286741309 /nfs/dbraw/zinc/74/13/09/1286741309.db2.gz OUPGEHJRNPBWQQ-BBRMVZONSA-N 1 0 333.428 2.968 20 10 EFCDRO CC[C@H](OC1CCCC1)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001134589294 1286927955 /nfs/dbraw/zinc/92/79/55/1286927955.db2.gz RHZMKIHEUUCVOH-SFHVURJKSA-N 1 0 348.487 2.947 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)CO[C@@H]2CCC[C@@H](C)C2)cc1C ZINC001134622339 1286980166 /nfs/dbraw/zinc/98/01/66/1286980166.db2.gz IWTBTWCXXWJGJT-CRAIPNDOSA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2n[nH]cc2F)cc1C ZINC001135407226 1288002094 /nfs/dbraw/zinc/00/20/94/1288002094.db2.gz GCGVEUROCLFWSU-OLZOCXBDSA-N 1 0 348.422 2.553 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000816549050 1288198408 /nfs/dbraw/zinc/19/84/08/1288198408.db2.gz BHZKVMSZAOOYLN-UHFFFAOYSA-N 1 0 325.412 2.682 20 10 EFCDRO Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)C2CC[NH2+]CC2)c1 ZINC000873222352 1289653944 /nfs/dbraw/zinc/65/39/44/1289653944.db2.gz OLUVAQXRRQUVCU-NSHDSACASA-N 1 0 327.266 2.941 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H](C)C[C@H]2CCCO2)cc1C ZINC001177228823 1288337017 /nfs/dbraw/zinc/33/70/17/1288337017.db2.gz GSSMJOIKNWOBKP-SJLPKXTDSA-N 1 0 348.487 2.805 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000817177102 1288450301 /nfs/dbraw/zinc/45/03/01/1288450301.db2.gz DFBMWVODXGUCQQ-UHFFFAOYSA-N 1 0 332.492 2.733 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000817179149 1288450828 /nfs/dbraw/zinc/45/08/28/1288450828.db2.gz YAOVFYKSQVBPDC-HSBZDZAISA-N 1 0 335.448 2.634 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2oncc2C)cc1C ZINC001135848751 1288481406 /nfs/dbraw/zinc/48/14/06/1288481406.db2.gz MQGAHIZMOXHOEU-HUUCEWRRSA-N 1 0 345.443 2.987 20 10 EFCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)C2CC(OC(C)(C)C)C2)cc1 ZINC000817288082 1288504655 /nfs/dbraw/zinc/50/46/55/1288504655.db2.gz UUAIVQFNNFTLOV-UHFFFAOYSA-N 1 0 347.503 2.647 20 10 EFCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000817368962 1288562172 /nfs/dbraw/zinc/56/21/72/1288562172.db2.gz VWRGXFDURCQQKQ-CYBMUJFWSA-N 1 0 328.412 2.728 20 10 EFCDRO CNS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000851949501 1299481077 /nfs/dbraw/zinc/48/10/77/1299481077.db2.gz FTPVTHIWKJLKTE-AWEZNQCLSA-N 1 0 347.484 2.512 20 10 EFCDRO Cc1cc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)ccc1N(C)C ZINC000852008929 1299499754 /nfs/dbraw/zinc/49/97/54/1299499754.db2.gz JVROXNBGKIJWKO-LJQANCHMSA-N 1 0 331.504 2.748 20 10 EFCDRO NC(=O)CC1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000817411632 1288590446 /nfs/dbraw/zinc/59/04/46/1288590446.db2.gz WJEYDOIMNIJXOB-UHFFFAOYSA-N 1 0 340.423 2.716 20 10 EFCDRO CCCN1C[C@@H](C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1=O ZINC000817411295 1288590527 /nfs/dbraw/zinc/59/05/27/1288590527.db2.gz PADFBQKSUOTRNV-MRXNPFEDSA-N 1 0 345.487 2.512 20 10 EFCDRO CCCN1C[C@H](C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1=O ZINC000817411294 1288590533 /nfs/dbraw/zinc/59/05/33/1288590533.db2.gz PADFBQKSUOTRNV-INIZCTEOSA-N 1 0 345.487 2.512 20 10 EFCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000817414693 1288592848 /nfs/dbraw/zinc/59/28/48/1288592848.db2.gz IPDZCMNBOQCLQT-GOSISDBHSA-N 1 0 340.423 2.682 20 10 EFCDRO COc1cccc(CN2CCNC(=O)[C@H]2CC2CCCCC2)c1O ZINC000817418246 1288592922 /nfs/dbraw/zinc/59/29/22/1288592922.db2.gz HRZOIEKQDSTNHD-MRXNPFEDSA-N 1 0 332.444 2.672 20 10 EFCDRO OCC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000817418885 1288594287 /nfs/dbraw/zinc/59/42/87/1288594287.db2.gz JYJVTRTVCBJBSO-MRXNPFEDSA-N 1 0 336.451 2.647 20 10 EFCDRO CON1CCC([NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000817588761 1288666174 /nfs/dbraw/zinc/66/61/74/1288666174.db2.gz RCGVOQYFHLROBE-JTQLQIEISA-N 1 0 329.238 2.831 20 10 EFCDRO O=C(C1=CC(=O)CS1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000822426551 1288982270 /nfs/dbraw/zinc/98/22/70/1288982270.db2.gz NMXRBWQVELANEH-GOEBONIOSA-N 1 0 328.437 2.800 20 10 EFCDRO CCN(C(=O)[C@H]1CC12CC[NH+](Cc1cc(O)ccc1O)CC2)C(C)C ZINC001277659758 1312692216 /nfs/dbraw/zinc/69/22/16/1312692216.db2.gz GELKSZGPHZXSQF-QGZVFWFLSA-N 1 0 346.471 2.957 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001179684043 1289219261 /nfs/dbraw/zinc/21/92/61/1289219261.db2.gz JJEYOHDMFJRTBU-MNDMWVCDSA-N 1 0 330.428 2.588 20 10 EFCDRO CC(C)n1cc([C@@H](C)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1 ZINC000903447920 1312693786 /nfs/dbraw/zinc/69/37/86/1312693786.db2.gz GBRPBTPPZJQVOX-DNVCBOLYSA-N 1 0 344.507 2.879 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)c2ccccc2n1C ZINC001232402506 1312693975 /nfs/dbraw/zinc/69/39/75/1312693975.db2.gz OWRIUYUNJBYCDF-GUYCJALGSA-N 1 0 330.428 2.558 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c2ccccc2n1C ZINC001232402243 1312694029 /nfs/dbraw/zinc/69/40/29/1312694029.db2.gz JSMOULCTDPNNIL-KDOFPFPSSA-N 1 0 342.439 2.966 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@](C)(O)[C@H](C)C2)c2ccccc2n1C ZINC001232402322 1312694144 /nfs/dbraw/zinc/69/41/44/1312694144.db2.gz LNOYFMQPJKJNRD-VLIAUNLRSA-N 1 0 344.455 2.948 20 10 EFCDRO COC(=O)c1c(C[NH+]2CCC(C)(OC)CC2)c2ccccc2n1C ZINC001232402166 1312694324 /nfs/dbraw/zinc/69/43/24/1312694324.db2.gz IHOUCMRMMHSXRD-UHFFFAOYSA-N 1 0 330.428 2.966 20 10 EFCDRO CC[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1nccn1C ZINC000903448588 1312694763 /nfs/dbraw/zinc/69/47/63/1312694763.db2.gz QHCIZRKLGMAEHU-ZWKOTPCHSA-N 1 0 329.492 2.830 20 10 EFCDRO COC(=O)c1c(C[N@H+](C)CC2CCOCC2)c2ccccc2n1C ZINC001232403171 1312694780 /nfs/dbraw/zinc/69/47/80/1312694780.db2.gz VVLRGBXHQYFAML-UHFFFAOYSA-N 1 0 330.428 2.823 20 10 EFCDRO COC(=O)c1c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c2ccccc2n1C ZINC001232404868 1312694959 /nfs/dbraw/zinc/69/49/59/1312694959.db2.gz DAPQCULVCXUHQR-OAHLLOKOSA-N 1 0 341.455 2.635 20 10 EFCDRO COc1cc([C@@H](C)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)on1 ZINC000903448384 1312695000 /nfs/dbraw/zinc/69/50/00/1312695000.db2.gz OFZLWXPNKWPQOV-CZUORRHYSA-N 1 0 332.448 2.703 20 10 EFCDRO COC(=O)c1c(CN2CC[C@@H]([N@H+](C)C(C)C)C2)c2ccccc2n1C ZINC001232404672 1312694992 /nfs/dbraw/zinc/69/49/92/1312694992.db2.gz WTGZIGGUGSGLJA-OAHLLOKOSA-N 1 0 343.471 2.879 20 10 EFCDRO COC(=O)c1c(CN2CC[N@@H+]3CCCC[C@H]3C2)c2ccccc2n1C ZINC001232404867 1312695093 /nfs/dbraw/zinc/69/50/93/1312695093.db2.gz DAPQCULVCXUHQR-HNNXBMFYSA-N 1 0 341.455 2.635 20 10 EFCDRO CC[N@H+](C)C1CCN(Cc2c3ccccc3n(C)c2C(=O)OC)CC1 ZINC001232404484 1312695255 /nfs/dbraw/zinc/69/52/55/1312695255.db2.gz ULMNSGNELSRJQL-UHFFFAOYSA-N 1 0 343.471 2.881 20 10 EFCDRO CC[NH+](CC)[C@H]1CCN(Cc2c3ccccc3n(C)c2C(=O)OC)C1 ZINC001232405524 1312695584 /nfs/dbraw/zinc/69/55/84/1312695584.db2.gz MFTJJZJFBAUJQR-HNNXBMFYSA-N 1 0 343.471 2.881 20 10 EFCDRO CCOC1CC[NH+](Cc2c3ccccc3n(C)c2C(=O)OC)CC1 ZINC001232407176 1312695680 /nfs/dbraw/zinc/69/56/80/1312695680.db2.gz LONPAGHNEJPFAG-UHFFFAOYSA-N 1 0 330.428 2.966 20 10 EFCDRO CCn1ccnc1[C@@H](C)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000903449140 1312695798 /nfs/dbraw/zinc/69/57/98/1312695798.db2.gz VPEGTKJWJNRFFD-QAPCUYQASA-N 1 0 329.492 2.923 20 10 EFCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)c1 ZINC000872755303 1289361892 /nfs/dbraw/zinc/36/18/92/1289361892.db2.gz JBROWEPVNONRJI-OAHLLOKOSA-N 1 0 330.350 2.652 20 10 EFCDRO COc1cc(C[N@H+](C)CC2(O)CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000825629550 1289421628 /nfs/dbraw/zinc/42/16/28/1289421628.db2.gz YRELHVQARWWZFX-UHFFFAOYSA-N 1 0 337.460 2.672 20 10 EFCDRO COC[C@](C)(O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823837142 1289464899 /nfs/dbraw/zinc/46/48/99/1289464899.db2.gz PUJVBOMWJMCEQK-GOSISDBHSA-N 1 0 334.485 2.872 20 10 EFCDRO COC(=O)N1CC([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000824012034 1289502601 /nfs/dbraw/zinc/50/26/01/1289502601.db2.gz MWVJVUUKCIWXDM-UHFFFAOYSA-N 1 0 345.468 2.925 20 10 EFCDRO COC[C@@](C)(CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824098203 1289529648 /nfs/dbraw/zinc/52/96/48/1289529648.db2.gz JUBDXEBYFCIOMI-GOSISDBHSA-N 1 0 334.485 2.872 20 10 EFCDRO COc1ccc(C[NH2+]CCc2ccccc2O)cc1Cn1cccn1 ZINC000873034916 1289532883 /nfs/dbraw/zinc/53/28/83/1289532883.db2.gz CFUCSSWNVLYIBX-UHFFFAOYSA-N 1 0 337.423 2.978 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2c3ccccc3C[C@H]2O)cc1Cn1cccn1 ZINC000873037025 1289533870 /nfs/dbraw/zinc/53/38/70/1289533870.db2.gz JOLCVDQGFIDPHQ-CTNGQTDRSA-N 1 0 349.434 2.688 20 10 EFCDRO COc1ccc(C[NH2+]CC[S@](=O)C(C)(C)C)cc1Cn1cccn1 ZINC000873053343 1289541964 /nfs/dbraw/zinc/54/19/64/1289541964.db2.gz IVDQYVOYNREHHK-DEOSSOPVSA-N 1 0 349.500 2.577 20 10 EFCDRO COc1ccc(C[NH2+]CC(C)(C)C[C@H](C)O)cc1Cn1cccn1 ZINC000873059848 1289545904 /nfs/dbraw/zinc/54/59/04/1289545904.db2.gz ACJMWLWTXRROMD-HNNXBMFYSA-N 1 0 331.460 2.827 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@]2(C)CCCC[C@H]2O)cc1Cn1cccn1 ZINC000873072669 1289553158 /nfs/dbraw/zinc/55/31/58/1289553158.db2.gz ZVXIHLCINXTMSR-WOJBJXKFSA-N 1 0 343.471 2.971 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cc1Cn1cccn1 ZINC000873078189 1289556344 /nfs/dbraw/zinc/55/63/44/1289556344.db2.gz JLAWBEBKVVOOGM-QWFCFKBJSA-N 1 0 341.455 2.987 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCOC2)cc1Cn1cccn1 ZINC000873078089 1289556749 /nfs/dbraw/zinc/55/67/49/1289556749.db2.gz DGFMXHRHSMDZQA-RDJZCZTQSA-N 1 0 329.444 2.845 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1Cn1cccn1 ZINC000873078186 1289556756 /nfs/dbraw/zinc/55/67/56/1289556756.db2.gz JLAWBEBKVVOOGM-GGPKGHCWSA-N 1 0 341.455 2.987 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)cc1Cn1cccn1 ZINC000873099313 1289567419 /nfs/dbraw/zinc/56/74/19/1289567419.db2.gz WJDHYCPDABUVSU-DOTOQJQBSA-N 1 0 329.444 2.845 20 10 EFCDRO CCCOc1ccc(C[NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)cc1C ZINC000873100804 1289568729 /nfs/dbraw/zinc/56/87/29/1289568729.db2.gz FIBMECNTBRGWLF-AEFFLSMTSA-N 1 0 334.460 2.509 20 10 EFCDRO CCCOc1ccc(C[NH2+]C[C@H]2COC3(CCOCC3)O2)cc1C ZINC000873102538 1289569161 /nfs/dbraw/zinc/56/91/61/1289569161.db2.gz MNTSYRPFZUMLEZ-KRWDZBQOSA-N 1 0 335.444 2.796 20 10 EFCDRO COc1ccc(C[NH2+]CC2([C@H](O)C(C)C)CC2)cc1Cn1cccn1 ZINC000873101231 1289569364 /nfs/dbraw/zinc/56/93/64/1289569364.db2.gz PUHAWNUZJYFTNT-LJQANCHMSA-N 1 0 343.471 2.827 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2OC)cc1Cn1cccn1 ZINC000873101084 1289569551 /nfs/dbraw/zinc/56/95/51/1289569551.db2.gz NXRVWXQGPPICBO-AEFFLSMTSA-N 1 0 329.444 2.845 20 10 EFCDRO COc1ccc(C[NH2+]CC2(N(C)C)CCC2)cc1Cn1cccn1 ZINC000873112107 1289572819 /nfs/dbraw/zinc/57/28/19/1289572819.db2.gz NXACTNGJLSBNOI-UHFFFAOYSA-N 1 0 328.460 2.514 20 10 EFCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1C ZINC000873127415 1289582805 /nfs/dbraw/zinc/58/28/05/1289582805.db2.gz RKWHILOLQMZJML-INIZCTEOSA-N 1 0 325.474 2.698 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@]2(O)CCCC2(C)C)cc1Cn1cccn1 ZINC000873128168 1289583147 /nfs/dbraw/zinc/58/31/47/1289583147.db2.gz FVYUCNUWRVQVNY-FQEVSTJZSA-N 1 0 343.471 2.971 20 10 EFCDRO COc1ccc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)cc1Cn1cccn1 ZINC000873128236 1289583393 /nfs/dbraw/zinc/58/33/93/1289583393.db2.gz HZZCWGDOVBEZAO-HNAYVOBHSA-N 1 0 329.444 2.581 20 10 EFCDRO COc1ccc(C[NH2+]CCc2ccc(C)cn2)cc1Cn1cccn1 ZINC000873130528 1289585543 /nfs/dbraw/zinc/58/55/43/1289585543.db2.gz GMVCAPZBPWUZDC-UHFFFAOYSA-N 1 0 336.439 2.976 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C2(OC)CCC2)cc1Cn1cccn1 ZINC000873132153 1289587532 /nfs/dbraw/zinc/58/75/32/1289587532.db2.gz JNDMXWGDZUOMTG-OAHLLOKOSA-N 1 0 329.444 2.987 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc4nccnc4c3)cc2)CC1 ZINC000873138114 1289593443 /nfs/dbraw/zinc/59/34/43/1289593443.db2.gz BESCTCHITYYOHB-UHFFFAOYSA-N 1 0 348.450 2.881 20 10 EFCDRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2cc(C)ccc2O)c1 ZINC000873194625 1289633628 /nfs/dbraw/zinc/63/36/28/1289633628.db2.gz ICPKVTOSQZZCJU-BFUOFWGJSA-N 1 0 331.412 2.930 20 10 EFCDRO CCOC(=O)[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC12COC2 ZINC000824489258 1289666598 /nfs/dbraw/zinc/66/65/98/1289666598.db2.gz IHBTYBZAZPNEKM-KRWDZBQOSA-N 1 0 341.407 2.557 20 10 EFCDRO CCO[C@H](CC)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001181412991 1289785902 /nfs/dbraw/zinc/78/59/02/1289785902.db2.gz SUDIIGQMORTFLD-IAGOWNOFSA-N 1 0 334.460 2.509 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccn(C)c2C)cc1C ZINC001166192688 1312743431 /nfs/dbraw/zinc/74/34/31/1312743431.db2.gz QFNVKLMZPNIWRN-UHFFFAOYSA-N 1 0 329.444 2.560 20 10 EFCDRO Cc1cc(Br)cc(CN2CCC[C@@H]([NH+](C)C)C2)c1O ZINC000124585778 1289946550 /nfs/dbraw/zinc/94/65/50/1289946550.db2.gz BCELPRKXUGVPOA-CQSZACIVSA-N 1 0 327.266 2.989 20 10 EFCDRO CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016367044 1312746078 /nfs/dbraw/zinc/74/60/78/1312746078.db2.gz HRFAGFHWSRLWKD-OAHLLOKOSA-N 1 0 329.404 2.619 20 10 EFCDRO CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016369041 1312747661 /nfs/dbraw/zinc/74/76/61/1312747661.db2.gz QQVPOSHETCYDAV-DOMZBBRYSA-N 1 0 331.420 2.699 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)C(C)(C)C(F)F)cc1C ZINC001166239191 1312751615 /nfs/dbraw/zinc/75/16/15/1312751615.db2.gz PAJFJTOCFBFMHG-UHFFFAOYSA-N 1 0 328.403 2.891 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[C@@H](C)SC)C2)cc1C ZINC001182108251 1290075474 /nfs/dbraw/zinc/07/54/74/1290075474.db2.gz JYSMMBXEZKVCRR-GDBMZVCRSA-N 1 0 336.501 2.836 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)c1O ZINC001204339279 1290184527 /nfs/dbraw/zinc/18/45/27/1290184527.db2.gz FDQBBGDRSIJBHU-JOYOIKCWSA-N 1 0 330.222 2.509 20 10 EFCDRO C[NH+](C)[C@H]1C[C@@H](C(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)C1 ZINC001183375783 1290342672 /nfs/dbraw/zinc/34/26/72/1290342672.db2.gz WYCWQTRWDDIGFR-JKQUZGCZSA-N 1 0 338.415 2.946 20 10 EFCDRO COCCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC001183688761 1290384871 /nfs/dbraw/zinc/38/48/71/1290384871.db2.gz FOEJFHNNQWXHIL-WMZOPIPTSA-N 1 0 348.487 2.614 20 10 EFCDRO COc1cc(C)c(C[NH+]2CC3(CN(C(=O)OC(C)(C)C)C3)C2)c(O)c1 ZINC001184374767 1290451661 /nfs/dbraw/zinc/45/16/61/1290451661.db2.gz QLNVIINNXFDFOZ-UHFFFAOYSA-N 1 0 348.443 2.762 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3(CCF)CC3)C2)cc1C ZINC001184543909 1290473711 /nfs/dbraw/zinc/47/37/11/1290473711.db2.gz VWKPDRNCCFKGHN-MRXNPFEDSA-N 1 0 334.435 2.834 20 10 EFCDRO C[C@@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)C[NH+]1CCCC1 ZINC000125407347 1290523629 /nfs/dbraw/zinc/52/36/29/1290523629.db2.gz OTTZVYQPIFYVHM-INIZCTEOSA-N 1 0 344.503 2.600 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCCN(Cc3ccncc3)CC2)c(O)c1 ZINC001232834799 1312790858 /nfs/dbraw/zinc/79/08/58/1312790858.db2.gz NCSOJZLUCKUOOI-UHFFFAOYSA-N 1 0 340.471 2.561 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c(O)c1 ZINC001232834807 1312791053 /nfs/dbraw/zinc/79/10/53/1312791053.db2.gz NIFZNXDYFHUMJM-IBGZPJMESA-N 1 0 325.456 2.947 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001232834899 1312791217 /nfs/dbraw/zinc/79/12/17/1312791217.db2.gz PEBDUYOSPSUJQL-OAHLLOKOSA-N 1 0 332.366 2.738 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC001232834100 1312791330 /nfs/dbraw/zinc/79/13/30/1312791330.db2.gz GLSYYKYOLNWCBX-UHFFFAOYSA-N 1 0 349.475 2.947 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)CCCNC(=O)OC(C)(C)C)c(O)c1 ZINC001232836574 1312791998 /nfs/dbraw/zinc/79/19/98/1312791998.db2.gz QEBYUQXKVMJMBJ-UHFFFAOYSA-N 1 0 337.464 2.805 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CC(CCNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232840027 1312792123 /nfs/dbraw/zinc/79/21/23/1312792123.db2.gz KKOXHLUHWVEJHT-UHFFFAOYSA-N 1 0 349.475 2.805 20 10 EFCDRO CC(C)C(=O)N1CCC[C@]12CC[N@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232838567 1312792168 /nfs/dbraw/zinc/79/21/68/1312792168.db2.gz SCXBEDUWIDGACI-HXUWFJFHSA-N 1 0 345.487 2.681 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232838960 1312792487 /nfs/dbraw/zinc/79/24/87/1312792487.db2.gz LCCMHHKTYCBWSX-INIZCTEOSA-N 1 0 349.475 2.899 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c(O)c1 ZINC001232839018 1312792666 /nfs/dbraw/zinc/79/26/66/1312792666.db2.gz VYFHAJZIJUGHPW-HXUWFJFHSA-N 1 0 337.423 2.554 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCN(c3ccccc3F)CC2)c(O)c1 ZINC001232838776 1312792695 /nfs/dbraw/zinc/79/26/95/1312792695.db2.gz JIRYXAPMJDICDW-UHFFFAOYSA-N 1 0 329.419 2.920 20 10 EFCDRO Cc1cncnc1OC1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232841677 1312792966 /nfs/dbraw/zinc/79/29/66/1312792966.db2.gz OCSPOUNRNQZMEO-UHFFFAOYSA-N 1 0 342.443 2.600 20 10 EFCDRO COC1CC[NH+](C2CCN(Cc3ccc(N(C)C)cc3O)CC2)CC1 ZINC001232841626 1312793046 /nfs/dbraw/zinc/79/30/46/1312793046.db2.gz MXZHELKTEJCTQQ-UHFFFAOYSA-N 1 0 347.503 2.533 20 10 EFCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232840827 1312793124 /nfs/dbraw/zinc/79/31/24/1312793124.db2.gz LBMDWGPLHCFJRE-ZBFHGGJFSA-N 1 0 347.459 2.509 20 10 EFCDRO CC(C)N1CCC2(CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)C1=O ZINC001232841621 1312793404 /nfs/dbraw/zinc/79/34/04/1312793404.db2.gz MTEJSDRLBCXLMM-UHFFFAOYSA-N 1 0 345.487 2.681 20 10 EFCDRO CCC(=O)N(CC)C1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232842104 1312793686 /nfs/dbraw/zinc/79/36/86/1312793686.db2.gz ZURFMDSASUNQTJ-UHFFFAOYSA-N 1 0 333.476 2.681 20 10 EFCDRO Cc1cncnc1O[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232841968 1312793731 /nfs/dbraw/zinc/79/37/31/1312793731.db2.gz VYDRHHVLBLGNTN-KRWDZBQOSA-N 1 0 342.443 2.600 20 10 EFCDRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](C)Cc1ccccc1O ZINC000091956817 1290617004 /nfs/dbraw/zinc/61/70/04/1290617004.db2.gz KMQAVMOSFFFCDS-UHFFFAOYSA-N 1 0 345.443 2.789 20 10 EFCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC[C@@H]21 ZINC000092043251 1290629975 /nfs/dbraw/zinc/62/99/75/1290629975.db2.gz FRXFVGGFECMLEQ-RISCZKNCSA-N 1 0 339.823 2.870 20 10 EFCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1C[NH2+]CCF ZINC001185771339 1290759441 /nfs/dbraw/zinc/75/94/41/1290759441.db2.gz KRSJATWURPGTJA-TZMCWYRMSA-N 1 0 349.410 2.506 20 10 EFCDRO CCC[NH2+]C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001185771907 1290759474 /nfs/dbraw/zinc/75/94/74/1290759474.db2.gz PCDWXMTYECRKHZ-UKRRQHHQSA-N 1 0 345.447 2.947 20 10 EFCDRO CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001185771908 1290759718 /nfs/dbraw/zinc/75/97/18/1290759718.db2.gz PCDWXMTYECRKHZ-ZFWWWQNUSA-N 1 0 345.447 2.947 20 10 EFCDRO CCOc1cccc(C[N@H+](C)C[C@H](O)COCc2ccccc2)c1O ZINC000092472263 1290764127 /nfs/dbraw/zinc/76/41/27/1290764127.db2.gz KFLXIASRUITABQ-SFHVURJKSA-N 1 0 345.439 2.800 20 10 EFCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@H](n4ccnc4)C3)cc2)CC1 ZINC000876679077 1290976694 /nfs/dbraw/zinc/97/66/94/1290976694.db2.gz BPLMKQNSPOSNMN-IBGZPJMESA-N 1 0 340.471 2.681 20 10 EFCDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1C ZINC000876753844 1291006643 /nfs/dbraw/zinc/00/66/43/1291006643.db2.gz ASEURSOAOMNHTK-IRXDYDNUSA-N 1 0 331.504 2.562 20 10 EFCDRO C[C@@H]1[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)CC[N@@H+]1C ZINC000825906298 1291016862 /nfs/dbraw/zinc/01/68/62/1291016862.db2.gz YLTHRLFPXNHJQO-RHSMWYFYSA-N 1 0 328.412 2.854 20 10 EFCDRO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@]1(OC)CCOC1 ZINC000876794698 1291025090 /nfs/dbraw/zinc/02/50/90/1291025090.db2.gz ZSAPRACZKWMKNF-HNNXBMFYSA-N 1 0 344.249 2.782 20 10 EFCDRO Oc1cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc(O)c1O ZINC001233015247 1312832326 /nfs/dbraw/zinc/83/23/26/1312832326.db2.gz GMWHEXSYHDTEHY-SJORKVTESA-N 1 0 340.423 2.510 20 10 EFCDRO CC(C)CC[C@@H]([NH3+])C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000876872795 1291053826 /nfs/dbraw/zinc/05/38/26/1291053826.db2.gz NFAPGCXLOLPYRL-DLBZAZTESA-N 1 0 334.460 2.663 20 10 EFCDRO Cc1cccc(O)c1C[NH2+][C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000876874432 1291055075 /nfs/dbraw/zinc/05/50/75/1291055075.db2.gz FOVIAVUAEALUKX-FQEVSTJZSA-N 1 0 339.483 2.779 20 10 EFCDRO COc1ccccc1CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876890972 1291060296 /nfs/dbraw/zinc/06/02/96/1291060296.db2.gz NCKFEVSDHVZSSS-UHFFFAOYSA-N 1 0 340.467 2.989 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CS[C@H](C)C3)CC2)cc1 ZINC000876900810 1291065136 /nfs/dbraw/zinc/06/51/36/1291065136.db2.gz RJNCFUCXCPQKBZ-SJORKVTESA-N 1 0 349.544 2.691 20 10 EFCDRO COc1cc(C[C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC000876963633 1291087556 /nfs/dbraw/zinc/08/75/56/1291087556.db2.gz GMCOWAXWFPOTCP-INIZCTEOSA-N 1 0 341.455 2.648 20 10 EFCDRO C[C@@H](O)c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000876967416 1291089926 /nfs/dbraw/zinc/08/99/26/1291089926.db2.gz HIMGRIPTKKUIRR-MRXNPFEDSA-N 1 0 340.467 2.991 20 10 EFCDRO C[C@H](COCC(F)(F)F)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876974945 1291094120 /nfs/dbraw/zinc/09/41/20/1291094120.db2.gz YBDQEAOBWQBEMR-CYBMUJFWSA-N 1 0 346.393 2.705 20 10 EFCDRO Cc1cc(C(=O)N2CC[NH2+]C[C@H]2C(C)C)c(C)n1-c1ccccn1 ZINC000876998449 1291101475 /nfs/dbraw/zinc/10/14/75/1291101475.db2.gz NSEUYZNXJVALDI-KRWDZBQOSA-N 1 0 326.444 2.559 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(Cl)nn3)CC2)cc1 ZINC000876998286 1291101647 /nfs/dbraw/zinc/10/16/47/1291101647.db2.gz FAAFWIMTDKSSQI-UHFFFAOYSA-N 1 0 332.835 2.897 20 10 EFCDRO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1cc(O)c(O)c(O)c1 ZINC001233010116 1312831897 /nfs/dbraw/zinc/83/18/97/1312831897.db2.gz LFLYBVPNMVPRNZ-UHFFFAOYSA-N 1 0 345.395 2.759 20 10 EFCDRO C[N@H+](Cc1ccccc1)C1CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233012060 1312831941 /nfs/dbraw/zinc/83/19/41/1312831941.db2.gz IPARVAFBZQOSTA-UHFFFAOYSA-N 1 0 342.439 2.900 20 10 EFCDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c(O)c1 ZINC000877003580 1291103896 /nfs/dbraw/zinc/10/38/96/1291103896.db2.gz XGZMVMHBOBSFQI-AWEZNQCLSA-N 1 0 348.468 2.802 20 10 EFCDRO Cc1noc(C)c1CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877011674 1291106548 /nfs/dbraw/zinc/10/65/48/1291106548.db2.gz GKODAPKNVAJQIY-UHFFFAOYSA-N 1 0 329.444 2.585 20 10 EFCDRO Cc1ccc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)c(O)c1 ZINC000877029981 1291109836 /nfs/dbraw/zinc/10/98/36/1291109836.db2.gz VARWDOQKINHGGY-UHFFFAOYSA-N 1 0 328.412 2.943 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc(O)c(O)c(O)c1 ZINC001233013667 1312832546 /nfs/dbraw/zinc/83/25/46/1312832546.db2.gz RSOKRKMISGAHCT-CQSZACIVSA-N 1 0 328.412 2.510 20 10 EFCDRO CN(Cc1cc(O)c(O)c(O)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001233016086 1312832742 /nfs/dbraw/zinc/83/27/42/1312832742.db2.gz MDDJHJUKSCXEDX-QGZVFWFLSA-N 1 0 342.439 2.900 20 10 EFCDRO CCOC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(O)c(O)c(O)c1 ZINC001233014124 1312832749 /nfs/dbraw/zinc/83/27/49/1312832749.db2.gz LSLGYZWTKSRJQA-UHFFFAOYSA-N 1 0 345.395 2.759 20 10 EFCDRO Oc1cc(C[NH+]2CCC3(COc4ccccc43)CC2)cc(O)c1O ZINC001233015326 1312832821 /nfs/dbraw/zinc/83/28/21/1312832821.db2.gz KMCJWIRIQZKLFE-UHFFFAOYSA-N 1 0 327.380 2.730 20 10 EFCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccs1 ZINC000877047492 1291116192 /nfs/dbraw/zinc/11/61/92/1291116192.db2.gz BGWSEXSDWYCEQL-IBGZPJMESA-N 1 0 346.496 2.707 20 10 EFCDRO Cc1ccc(C[NH2+]Cc2cc(F)ccc2N2CCOCC2)c(O)c1 ZINC000877051257 1291116848 /nfs/dbraw/zinc/11/68/48/1291116848.db2.gz UPDYUBLSYIJPSL-UHFFFAOYSA-N 1 0 330.403 2.966 20 10 EFCDRO Oc1cc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc(O)c1O ZINC001233016670 1312833351 /nfs/dbraw/zinc/83/33/51/1312833351.db2.gz JDCOCJZMWKBFQM-UHFFFAOYSA-N 1 0 346.402 2.650 20 10 EFCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000877064417 1291123188 /nfs/dbraw/zinc/12/31/88/1291123188.db2.gz SMIYOCWPPVWBNP-LMMKCTJWSA-N 1 0 336.435 2.947 20 10 EFCDRO CCOC(=O)COc1ccc(CC[NH2+]Cc2c(C)cccc2O)cc1 ZINC000877066012 1291123328 /nfs/dbraw/zinc/12/33/28/1291123328.db2.gz ZWQCTHPCTJSAFE-UHFFFAOYSA-N 1 0 343.423 2.975 20 10 EFCDRO Oc1cc(C[NH+]2CCC(n3cnc4ccccc43)CC2)cc(O)c1O ZINC001233018334 1312833523 /nfs/dbraw/zinc/83/35/23/1312833523.db2.gz UENBDRVSXNJAAX-UHFFFAOYSA-N 1 0 339.395 2.990 20 10 EFCDRO COc1cc(C[C@H](CO)C[NH2+]Cc2ccc(C)cc2O)cc(OC)c1 ZINC000877076045 1291126270 /nfs/dbraw/zinc/12/62/70/1291126270.db2.gz IUPRFEMFNWNMRN-INIZCTEOSA-N 1 0 345.439 2.659 20 10 EFCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccncc1 ZINC000877076344 1291126724 /nfs/dbraw/zinc/12/67/24/1291126724.db2.gz VVWHKJNODQASAR-INIZCTEOSA-N 1 0 325.456 2.936 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C)cc2=O ZINC000248545075 1291127273 /nfs/dbraw/zinc/12/72/73/1291127273.db2.gz DVJWLMKIMHOLJT-YWPYICTPSA-N 1 0 346.431 2.526 20 10 EFCDRO OCCC1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCCC1 ZINC000877081505 1291129414 /nfs/dbraw/zinc/12/94/14/1291129414.db2.gz NZSWGAWSUUAHFH-UHFFFAOYSA-N 1 0 332.488 2.823 20 10 EFCDRO COC(=O)CCC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093341507 1291129501 /nfs/dbraw/zinc/12/95/01/1291129501.db2.gz OTGIACGMMSGUFO-UHFFFAOYSA-N 1 0 346.471 2.688 20 10 EFCDRO CCOC(=O)CC[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC001258480575 1291139651 /nfs/dbraw/zinc/13/96/51/1291139651.db2.gz CYEKBGQWWQVWQJ-SNVBAGLBSA-N 1 0 330.222 2.976 20 10 EFCDRO Cc1ccc(C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c(O)c1 ZINC000877132581 1291140410 /nfs/dbraw/zinc/14/04/10/1291140410.db2.gz HUZRVOCQJJWAQE-CYBMUJFWSA-N 1 0 332.350 2.874 20 10 EFCDRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)OC ZINC000877146003 1291145677 /nfs/dbraw/zinc/14/56/77/1291145677.db2.gz OPKUTXHRNUBQHO-KVSKMBFKSA-N 1 0 347.503 2.539 20 10 EFCDRO COc1cc(C[NH2+]CCS(=O)(=O)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000825944079 1291157645 /nfs/dbraw/zinc/15/76/45/1291157645.db2.gz OXRPPEZJSYRLOI-UHFFFAOYSA-N 1 0 343.489 2.611 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C ZINC000093534377 1291165825 /nfs/dbraw/zinc/16/58/25/1291165825.db2.gz DOZHROSJPMJRTF-HNNXBMFYSA-N 1 0 342.399 2.999 20 10 EFCDRO Cc1ccc(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)c(O)c1 ZINC000877321738 1291192466 /nfs/dbraw/zinc/19/24/66/1291192466.db2.gz PVNXZGJQQUTVIJ-HNNXBMFYSA-N 1 0 332.831 2.788 20 10 EFCDRO Cc1ccc(C[NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)c(O)c1 ZINC000877321740 1291192588 /nfs/dbraw/zinc/19/25/88/1291192588.db2.gz PVNXZGJQQUTVIJ-OAHLLOKOSA-N 1 0 332.831 2.788 20 10 EFCDRO CC[NH+](CC)C[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093693208 1291195760 /nfs/dbraw/zinc/19/57/60/1291195760.db2.gz YEWWNZZXHHARFK-LJQANCHMSA-N 1 0 331.504 2.687 20 10 EFCDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000795685919 1291196955 /nfs/dbraw/zinc/19/69/55/1291196955.db2.gz CVJWBRUVUFWOPV-HNNXBMFYSA-N 1 0 347.333 2.637 20 10 EFCDRO Cc1ccc(C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)c(O)c1 ZINC000877374232 1291215833 /nfs/dbraw/zinc/21/58/33/1291215833.db2.gz CFYRXZDPJKLEQI-UHFFFAOYSA-N 1 0 346.452 2.530 20 10 EFCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCO[C@H]1C1CC1 ZINC000877394822 1291221071 /nfs/dbraw/zinc/22/10/71/1291221071.db2.gz GYEAYATYZYABDP-LEWJYISDSA-N 1 0 344.499 2.943 20 10 EFCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCO[C@@H]1C1CC1 ZINC000877394826 1291221506 /nfs/dbraw/zinc/22/15/06/1291221506.db2.gz GYEAYATYZYABDP-NHCUHLMSSA-N 1 0 344.499 2.943 20 10 EFCDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000877408917 1291226894 /nfs/dbraw/zinc/22/68/94/1291226894.db2.gz VGKRTBPCSJCOEH-HNNXBMFYSA-N 1 0 333.453 2.961 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000877441836 1291235300 /nfs/dbraw/zinc/23/53/00/1291235300.db2.gz ONMGMXQPHWELEC-OAQYLSRUSA-N 1 0 340.467 2.769 20 10 EFCDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000795697515 1291238968 /nfs/dbraw/zinc/23/89/68/1291238968.db2.gz DWSOTSZCHYIVJZ-KXBFYZLASA-N 1 0 330.472 2.566 20 10 EFCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C)cc2O)s1 ZINC000877486531 1291245402 /nfs/dbraw/zinc/24/54/02/1291245402.db2.gz KAEAZXLMARXRIE-UHFFFAOYSA-N 1 0 325.455 2.846 20 10 EFCDRO Cc1ccc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)c(O)c1 ZINC000877496814 1291250456 /nfs/dbraw/zinc/25/04/56/1291250456.db2.gz ZBQXKYNLLHHUMK-UHFFFAOYSA-N 1 0 330.350 2.591 20 10 EFCDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccc(N5CCC(O)CC5)cc4)[C@H]1[C@H]3C2 ZINC000877517208 1291255172 /nfs/dbraw/zinc/25/51/72/1291255172.db2.gz MJRYUMBRRZJWIB-JPKZGUTDSA-N 1 0 342.483 2.503 20 10 EFCDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2c(C)cccc2O)s1 ZINC000877522337 1291258443 /nfs/dbraw/zinc/25/84/43/1291258443.db2.gz CYAMXXVENUOFGR-NEPJUHHUSA-N 1 0 348.472 2.867 20 10 EFCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1(CO)CCC1 ZINC000877544270 1291266947 /nfs/dbraw/zinc/26/69/47/1291266947.db2.gz UNFROFNGTWFOSR-FQEVSTJZSA-N 1 0 346.515 2.925 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cc[nH]c(=O)c1 ZINC000877551241 1291271966 /nfs/dbraw/zinc/27/19/66/1291271966.db2.gz VRMFDWWSOOTITM-AWEZNQCLSA-N 1 0 327.428 2.599 20 10 EFCDRO O[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C12CCCC2 ZINC000877550466 1291272173 /nfs/dbraw/zinc/27/21/73/1291272173.db2.gz XLQMYCYQCHLEDE-LJQANCHMSA-N 1 0 330.472 2.527 20 10 EFCDRO CC(C)(CN1CCCC1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877576756 1291279204 /nfs/dbraw/zinc/27/92/04/1291279204.db2.gz OXAJTJJIRQOCIS-UHFFFAOYSA-N 1 0 331.504 2.612 20 10 EFCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000877622702 1291295561 /nfs/dbraw/zinc/29/55/61/1291295561.db2.gz BCYLCUMAVIDLLM-CTNGQTDRSA-N 1 0 338.451 2.786 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)cc1OC ZINC000877645519 1291304626 /nfs/dbraw/zinc/30/46/26/1291304626.db2.gz NXGHPFCQGNCDBI-INIZCTEOSA-N 1 0 344.411 2.596 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)c(O)c1 ZINC000877645787 1291304831 /nfs/dbraw/zinc/30/48/31/1291304831.db2.gz WLZDWBCDTXNBAG-SFHVURJKSA-N 1 0 328.412 2.977 20 10 EFCDRO Cc1cccc(O)c1C[N@H+](C)CCOCCNC(=O)OC(C)(C)C ZINC000877656625 1291312371 /nfs/dbraw/zinc/31/23/71/1291312371.db2.gz NTOVQGSCNJGJQN-UHFFFAOYSA-N 1 0 338.448 2.674 20 10 EFCDRO Cc1ccc(C[N@H+](C)CCOCCNC(=O)OC(C)(C)C)c(O)c1 ZINC000877656493 1291313343 /nfs/dbraw/zinc/31/33/43/1291313343.db2.gz KPOBJNWXLYJZBC-UHFFFAOYSA-N 1 0 338.448 2.674 20 10 EFCDRO Cc1cc(O)c(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cc1Cl ZINC000877673969 1291325243 /nfs/dbraw/zinc/32/52/43/1291325243.db2.gz JHAOSMAZIFSYDE-GFCCVEGCSA-N 1 0 334.729 2.839 20 10 EFCDRO C[C@@H](C[NH2+]Cc1cc(F)ccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000877728193 1291345528 /nfs/dbraw/zinc/34/55/28/1291345528.db2.gz BWOZAASCHFUFCA-LBPRGKRZSA-N 1 0 337.416 2.828 20 10 EFCDRO CC[C@H](C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001188251870 1291356143 /nfs/dbraw/zinc/35/61/43/1291356143.db2.gz SRAYQETYRHIZAA-SWLSCSKDSA-N 1 0 331.420 2.699 20 10 EFCDRO CC[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001188251867 1291356317 /nfs/dbraw/zinc/35/63/17/1291356317.db2.gz SRAYQETYRHIZAA-IUODEOHRSA-N 1 0 331.420 2.699 20 10 EFCDRO CC(C)(O)C1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000877753650 1291359514 /nfs/dbraw/zinc/35/95/14/1291359514.db2.gz IXTFTZNSJPFTJM-UHFFFAOYSA-N 1 0 336.451 2.645 20 10 EFCDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000877820610 1291394700 /nfs/dbraw/zinc/39/47/00/1291394700.db2.gz HOMMKEOEMLQPSX-KRWDZBQOSA-N 1 0 346.471 2.688 20 10 EFCDRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2ccc(C)cc2O)c1 ZINC000877832887 1291400365 /nfs/dbraw/zinc/40/03/65/1291400365.db2.gz SOMAHUZSLMJGGC-BFUOFWGJSA-N 1 0 331.412 2.930 20 10 EFCDRO COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]Cc2ccc(C)cc2O)c1 ZINC000877832890 1291400554 /nfs/dbraw/zinc/40/05/54/1291400554.db2.gz SOMAHUZSLMJGGC-YJYMSZOUSA-N 1 0 331.412 2.930 20 10 EFCDRO Cc1cnc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000877978747 1291435414 /nfs/dbraw/zinc/43/54/14/1291435414.db2.gz JKNKXVOXZJSYES-UHFFFAOYSA-N 1 0 345.472 2.525 20 10 EFCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC001233110303 1312856472 /nfs/dbraw/zinc/85/64/72/1312856472.db2.gz KVJVLEXCYHFIJX-NSHDSACASA-N 1 0 342.233 2.848 20 10 EFCDRO Cc1cc(Br)cc(CN2CC([NH+]3CCCC3)C2)c1O ZINC001233110898 1312856885 /nfs/dbraw/zinc/85/68/85/1312856885.db2.gz VPHZDTDPKCHJKA-UHFFFAOYSA-N 1 0 325.250 2.743 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C)[C@H]2CO)cc1Br ZINC001233134849 1312863291 /nfs/dbraw/zinc/86/32/91/1312863291.db2.gz GFBOKRJZCSLGIP-GXFFZTMASA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(O)c(CN2CCC[C@@H]([NH+](C)C)C2)cc1Br ZINC001233139622 1312864028 /nfs/dbraw/zinc/86/40/28/1312864028.db2.gz MQULGFHXXMYGHU-GFCCVEGCSA-N 1 0 343.265 2.689 20 10 EFCDRO COc1cc(O)c(CN2C[C@H](C)[N@H+](C)C[C@H]2C)cc1Br ZINC001233137493 1312864123 /nfs/dbraw/zinc/86/41/23/1312864123.db2.gz PDXTWWIZJCEPLR-WDEREUQCSA-N 1 0 343.265 2.688 20 10 EFCDRO COc1cc(O)c(CN2CC[N@H+](C)C(C)(C)C2)cc1Br ZINC001233140360 1312865250 /nfs/dbraw/zinc/86/52/50/1312865250.db2.gz GCRNSHCEQPVWCA-UHFFFAOYSA-N 1 0 343.265 2.689 20 10 EFCDRO COc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)C3=O)cc1Br ZINC001233140866 1312865484 /nfs/dbraw/zinc/86/54/84/1312865484.db2.gz VNGVJHGZYAXVFC-AOOOYVTPSA-N 1 0 340.217 2.574 20 10 EFCDRO COCCOC1(C[NH2+]Cc2cc(Cl)c(C)cc2O)CCOCC1 ZINC000826036625 1291635791 /nfs/dbraw/zinc/63/57/91/1291635791.db2.gz NHMBLIBQWMFYEG-UHFFFAOYSA-N 1 0 343.851 2.656 20 10 EFCDRO Cc1c[nH]c(=O)c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC001233193372 1312877606 /nfs/dbraw/zinc/87/76/06/1312877606.db2.gz ZIWSOQRICUCXHF-UHFFFAOYSA-N 1 0 327.428 2.564 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@@](C)(O)[C@H](C)C2)c2ccccc2n1C ZINC001233270095 1312889131 /nfs/dbraw/zinc/88/91/31/1312889131.db2.gz ACVOHGLZIAZCOL-JLTOFOAXSA-N 1 0 344.455 2.948 20 10 EFCDRO CC[N@H+](Cc1ccc(NS(C)(=O)=O)cc1)Cc1ccccc1O ZINC001233268661 1312889586 /nfs/dbraw/zinc/88/95/86/1312889586.db2.gz SXGIKPKJJMHKGK-UHFFFAOYSA-N 1 0 334.441 2.786 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@H](C)[C@H]2CO)c2ccccc2n1C ZINC001233270558 1312889990 /nfs/dbraw/zinc/88/99/90/1312889990.db2.gz RPKQSAARYZZOGB-KBXCAEBGSA-N 1 0 344.455 2.948 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c2ccccc2n1C ZINC001233270510 1312890099 /nfs/dbraw/zinc/89/00/99/1312890099.db2.gz PYYAKPGGBDWEFL-HXUWFJFHSA-N 1 0 342.439 2.967 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@@H](C)[C@H](O)CC2)c2ccccc2n1C ZINC001233270234 1312890289 /nfs/dbraw/zinc/89/02/89/1312890289.db2.gz FZTULVVWCXLZFH-RDTXWAMCSA-N 1 0 344.455 2.948 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c2ccccc2n1C ZINC001233273371 1312891293 /nfs/dbraw/zinc/89/12/93/1312891293.db2.gz ZWBGCGCYJWXQIC-GJZGRUSLSA-N 1 0 342.439 2.823 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c2ccccc2n1C ZINC001233272537 1312891440 /nfs/dbraw/zinc/89/14/40/1312891440.db2.gz PAMYJDRDEABXBM-KBPBESRZSA-N 1 0 330.428 2.700 20 10 EFCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c1 ZINC001233284912 1312895021 /nfs/dbraw/zinc/89/50/21/1312895021.db2.gz LWSQBJSMKYMBNQ-WMZOPIPTSA-N 1 0 342.483 2.990 20 10 EFCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCN(c3ncccn3)CC2)c1 ZINC001233283366 1312895046 /nfs/dbraw/zinc/89/50/46/1312895046.db2.gz DPQDRXDXJNDITM-UHFFFAOYSA-N 1 0 326.444 2.802 20 10 EFCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCOC[C@](O)(C(F)(F)F)C2)c1 ZINC001233284202 1312895156 /nfs/dbraw/zinc/89/51/56/1312895156.db2.gz MBYTZESHWIQOEH-INIZCTEOSA-N 1 0 347.377 2.815 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c1O ZINC001233290615 1312896202 /nfs/dbraw/zinc/89/62/02/1312896202.db2.gz NJSURVJRSVHDJI-MRXNPFEDSA-N 1 0 325.792 2.726 20 10 EFCDRO COCC[N@H+](Cc1cc(Cl)cc(OC)c1O)C1CCN(C)CC1 ZINC001233289786 1312896549 /nfs/dbraw/zinc/89/65/49/1312896549.db2.gz OFWFYHIGMGBBOU-UHFFFAOYSA-N 1 0 342.867 2.597 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](Oc3ncncc3C)C2)c1O ZINC001233290953 1312896817 /nfs/dbraw/zinc/89/68/17/1312896817.db2.gz FBUILFURIKJJCL-CQSZACIVSA-N 1 0 349.818 2.806 20 10 EFCDRO COc1cc(Cl)cc(CN2CCN3CC(F)(F)C[C@H]3C2)c1O ZINC001233290117 1312896895 /nfs/dbraw/zinc/89/68/95/1312896895.db2.gz KIGMOKVSPFQRCY-LBPRGKRZSA-N 1 0 332.778 2.579 20 10 EFCDRO CC[NH+](CC)C[C@@H]1CN(Cc2cc(Cl)cc(OC)c2O)CCO1 ZINC001233291331 1312897444 /nfs/dbraw/zinc/89/74/44/1312897444.db2.gz WEUQHUSVJWQIBI-OAHLLOKOSA-N 1 0 342.867 2.597 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](Oc3cnccn3)C2)c1O ZINC001233291275 1312897508 /nfs/dbraw/zinc/89/75/08/1312897508.db2.gz UBHPKLBRZTUFKV-AWEZNQCLSA-N 1 0 349.818 2.888 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc3c(c2)c(C)nn3C)c1 ZINC000775362791 1292035839 /nfs/dbraw/zinc/03/58/39/1292035839.db2.gz IWAWIXYBYCEQAA-LLVKDONJSA-N 1 0 326.400 2.842 20 10 EFCDRO COC(=O)c1sccc1NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879647308 1292216294 /nfs/dbraw/zinc/21/62/94/1292216294.db2.gz ANYKQBMXGPVLRI-SNVBAGLBSA-N 1 0 334.397 2.530 20 10 EFCDRO CCOc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879647949 1292216777 /nfs/dbraw/zinc/21/67/77/1292216777.db2.gz RZXFUGVZUINSAO-CABCVRRESA-N 1 0 331.412 2.881 20 10 EFCDRO COc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccccc2O)cc1F ZINC000879647694 1292217235 /nfs/dbraw/zinc/21/72/35/1292217235.db2.gz IJZOXOQGJVCFBP-CYBMUJFWSA-N 1 0 346.402 2.849 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1O ZINC000879648181 1292217614 /nfs/dbraw/zinc/21/76/14/1292217614.db2.gz BYTXVZWOVGCZPY-GFCCVEGCSA-N 1 0 341.367 2.540 20 10 EFCDRO C[C@@H]([NH2+]CCCON1C(=O)c2ccccc2C1=O)c1ccccc1O ZINC000879649339 1292217838 /nfs/dbraw/zinc/21/78/38/1292217838.db2.gz NRILKMBPMSFNEE-CYBMUJFWSA-N 1 0 340.379 2.661 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1O ZINC000879648340 1292218116 /nfs/dbraw/zinc/21/81/16/1292218116.db2.gz KKLJUZBXNNIIIL-WBMJQRKESA-N 1 0 341.367 2.757 20 10 EFCDRO COC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@H](C)c2ccccc2O)c1C ZINC000879648626 1292218465 /nfs/dbraw/zinc/21/84/65/1292218465.db2.gz WTNRUQUCECSTQO-LLVKDONJSA-N 1 0 330.384 2.657 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2)c1ccccc1O ZINC000879647971 1292218690 /nfs/dbraw/zinc/21/86/90/1292218690.db2.gz TWHOGZUBZQQBOP-CYBMUJFWSA-N 1 0 342.395 2.843 20 10 EFCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000879648760 1292218933 /nfs/dbraw/zinc/21/89/33/1292218933.db2.gz CRNXXZAFDOCOLJ-CHWSQXEVSA-N 1 0 342.395 2.841 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)nn1)c1ccccc1O ZINC000879649761 1292220496 /nfs/dbraw/zinc/22/04/96/1292220496.db2.gz GGEIIOFDGCIBID-SNVBAGLBSA-N 1 0 327.306 2.974 20 10 EFCDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1O ZINC000775414023 1292323152 /nfs/dbraw/zinc/32/31/52/1292323152.db2.gz KQWXKQQEVCADOF-OAHLLOKOSA-N 1 0 342.395 2.843 20 10 EFCDRO Oc1c(CN2CCO[C@H](C[NH+]3CCCC3)C2)cccc1C(F)(F)F ZINC001233420046 1312928527 /nfs/dbraw/zinc/92/85/27/1312928527.db2.gz XISJAIFCGYMAJU-CQSZACIVSA-N 1 0 344.377 2.708 20 10 EFCDRO Oc1c(CN2CCO[C@@H](C[NH+]3CCCC3)C2)cccc1C(F)(F)F ZINC001233420045 1312929168 /nfs/dbraw/zinc/92/91/68/1312929168.db2.gz XISJAIFCGYMAJU-AWEZNQCLSA-N 1 0 344.377 2.708 20 10 EFCDRO O=C1CC2(CN1)CC[NH+](Cc1ccc(C(F)(F)F)cc1O)CC2 ZINC001233451554 1312935085 /nfs/dbraw/zinc/93/50/85/1312935085.db2.gz PHAIHDIMCQOBTM-UHFFFAOYSA-N 1 0 328.334 2.513 20 10 EFCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001233455436 1312936032 /nfs/dbraw/zinc/93/60/32/1312936032.db2.gz LDCWBECFOHUAQP-CYBMUJFWSA-N 1 0 339.317 2.854 20 10 EFCDRO Oc1cc(O)c(CN2CCC[N@H+](Cc3ccccc3)CC2)cc1O ZINC001233485013 1312939400 /nfs/dbraw/zinc/93/94/00/1312939400.db2.gz FVBDZYRZWOABDW-UHFFFAOYSA-N 1 0 328.412 2.511 20 10 EFCDRO C[N@H+](Cc1ccccc1)C1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233484996 1312939608 /nfs/dbraw/zinc/93/96/08/1312939608.db2.gz FITNZCQMVNUHSA-UHFFFAOYSA-N 1 0 342.439 2.900 20 10 EFCDRO Cc1ccc(C)c(N2CC[NH+](Cc3cc(O)c(O)cc3O)CC2)c1 ZINC001233482279 1312939642 /nfs/dbraw/zinc/93/96/42/1312939642.db2.gz HYIXYAHLVFPUJA-UHFFFAOYSA-N 1 0 328.412 2.742 20 10 EFCDRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3Cc2cc(O)c(O)cc2O)o1 ZINC001233483511 1312939806 /nfs/dbraw/zinc/93/98/06/1312939806.db2.gz BMVRKEGOTGFFKY-CVEARBPZSA-N 1 0 344.411 2.554 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](Sc3ccncc3)C2)cc1O ZINC001233486026 1312940397 /nfs/dbraw/zinc/94/03/97/1312940397.db2.gz VDJGWVHIVPLWEX-AWEZNQCLSA-N 1 0 332.425 2.955 20 10 EFCDRO COc1ccccc1[C@@H](O)C[N@H+](Cc1cc(O)c(O)cc1O)C(C)C ZINC001233486605 1312940742 /nfs/dbraw/zinc/94/07/42/1312940742.db2.gz UGSYDFQWHACWFT-SFHVURJKSA-N 1 0 347.411 2.756 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](OCc3ccccc3)C2)cc1O ZINC001233486225 1312940788 /nfs/dbraw/zinc/94/07/88/1312940788.db2.gz DMPFOQHOURMGPZ-INIZCTEOSA-N 1 0 329.396 2.985 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)cc1O ZINC001233487505 1312941255 /nfs/dbraw/zinc/94/12/55/1312941255.db2.gz GSDYZZFRKDSMFD-UHFFFAOYSA-N 1 0 332.375 2.655 20 10 EFCDRO Cn1cc(CN2CCCC23CC[NH+](Cc2ccccc2O)CC3)cn1 ZINC001203553015 1312955223 /nfs/dbraw/zinc/95/52/23/1312955223.db2.gz YMAVXHOHTBZXGC-UHFFFAOYSA-N 1 0 340.471 2.756 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1O ZINC001203550389 1312953362 /nfs/dbraw/zinc/95/33/62/1312953362.db2.gz UIHFNLGWVAJSTB-RDJZCZTQSA-N 1 0 348.443 2.602 20 10 EFCDRO Oc1ccccc1C[NH+]1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001203551502 1312954013 /nfs/dbraw/zinc/95/40/13/1312954013.db2.gz GERZJEYAZKSGEP-UHFFFAOYSA-N 1 0 342.439 2.852 20 10 EFCDRO CC(C)n1nc(CN(C)C)c2c1C[N@H+](Cc1ccccc1O)CC2 ZINC001203551722 1312954136 /nfs/dbraw/zinc/95/41/36/1312954136.db2.gz LNTYLGNZPOZXME-UHFFFAOYSA-N 1 0 328.460 2.790 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001203552926 1312954483 /nfs/dbraw/zinc/95/44/83/1312954483.db2.gz VQTYCCBTSRFULD-IEBWSBKVSA-N 1 0 342.414 2.869 20 10 EFCDRO COc1ccccc1C(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001203560587 1312956266 /nfs/dbraw/zinc/95/62/66/1312956266.db2.gz DGWCOCXXILSSMY-UHFFFAOYSA-N 1 0 340.423 2.795 20 10 EFCDRO COCCOc1cccc(N2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC001203558475 1312956282 /nfs/dbraw/zinc/95/62/82/1312956282.db2.gz IRUUCXDNVPJDKU-UHFFFAOYSA-N 1 0 342.439 2.740 20 10 EFCDRO COc1cc(C)nc(OC2CC[NH+](Cc3ccccc3O)CC2)n1 ZINC001203562533 1312956672 /nfs/dbraw/zinc/95/66/72/1312956672.db2.gz JLZCINNAWPRLJK-UHFFFAOYSA-N 1 0 329.400 2.543 20 10 EFCDRO O=C1c2cccc(F)c2CN1[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC001203561810 1312956823 /nfs/dbraw/zinc/95/68/23/1312956823.db2.gz ZXMXPLSXDVLHSB-CQSZACIVSA-N 1 0 326.371 2.762 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)c1O ZINC001203593369 1312964823 /nfs/dbraw/zinc/96/48/23/1312964823.db2.gz LSGNGDVQSSMQBR-LPHOPBHVSA-N 1 0 333.428 2.561 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)c1O ZINC001203590321 1312964894 /nfs/dbraw/zinc/96/48/94/1312964894.db2.gz WWNBXOOUMLYZRT-FQEVSTJZSA-N 1 0 348.487 2.724 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)c1O ZINC001203591089 1312965077 /nfs/dbraw/zinc/96/50/77/1312965077.db2.gz BKAVWQXZBUPYSU-HXUWFJFHSA-N 1 0 344.455 2.625 20 10 EFCDRO COc1cccc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c1O ZINC001203589994 1312965162 /nfs/dbraw/zinc/96/51/62/1312965162.db2.gz PYAHYOPKFGTHLH-HIFRSBDPSA-N 1 0 348.443 2.842 20 10 EFCDRO COc1cccc(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)c1O ZINC001203593183 1312965316 /nfs/dbraw/zinc/96/53/16/1312965316.db2.gz ZWSYIWUHABKTMS-QGZVFWFLSA-N 1 0 347.455 2.951 20 10 EFCDRO COc1ccc(OC2CC[NH+](Cc3cccc(OC)c3O)CC2)nc1 ZINC001203601690 1312967454 /nfs/dbraw/zinc/96/74/54/1312967454.db2.gz HFOLIWOSGOXYMT-UHFFFAOYSA-N 1 0 344.411 2.848 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@@H](Oc3nccc(C)n3)C2)c1O ZINC001203601568 1312967670 /nfs/dbraw/zinc/96/76/70/1312967670.db2.gz ANRIETHDWNIMPX-OAHLLOKOSA-N 1 0 329.400 2.543 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)c1O ZINC001203602439 1312967923 /nfs/dbraw/zinc/96/79/23/1312967923.db2.gz XDJHODHTFNRWGL-ABAIWWIYSA-N 1 0 333.350 2.926 20 10 EFCDRO COc1cccc(C[NH+]2CCC(Oc3ccc(F)cn3)CC2)c1O ZINC001203601879 1312967959 /nfs/dbraw/zinc/96/79/59/1312967959.db2.gz PIJLRESYBMUUTL-UHFFFAOYSA-N 1 0 332.375 2.978 20 10 EFCDRO COc1cccc(C[NH+]2CCC3(CC(=O)N(CC4CC4)C3)CC2)c1O ZINC001203602001 1312968247 /nfs/dbraw/zinc/96/82/47/1312968247.db2.gz WAHPJMPWUQUJCM-UHFFFAOYSA-N 1 0 344.455 2.625 20 10 EFCDRO COc1cccc(C[NH+]2CCC3(CCN(C(C)C)C3=O)CC2)c1O ZINC001203602036 1312968370 /nfs/dbraw/zinc/96/83/70/1312968370.db2.gz XSZQQZPIUYCSSB-UHFFFAOYSA-N 1 0 332.444 2.624 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCN(C)c3nc(C)ccc3C2)c1O ZINC001203608139 1312969641 /nfs/dbraw/zinc/96/96/41/1312969641.db2.gz JDQSTDWMCHRXPH-UHFFFAOYSA-N 1 0 327.428 2.946 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COC)C2)c1O ZINC001203608223 1312969793 /nfs/dbraw/zinc/96/97/93/1312969793.db2.gz LQWJVNBPYGAQJJ-MJGOQNOKSA-N 1 0 335.444 2.808 20 10 EFCDRO CCOC[C@H]1Cn2nccc2C[N@H+](Cc2cccc(OCC)c2O)C1 ZINC001203609766 1312970154 /nfs/dbraw/zinc/97/01/54/1312970154.db2.gz JQNQACLGCWZVGY-OAHLLOKOSA-N 1 0 345.443 2.656 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2cccc(OCC)c2O)Cc2cn(C)nc21 ZINC001203608532 1312970161 /nfs/dbraw/zinc/97/01/61/1312970161.db2.gz SNLFVFWLZWIMNC-MRXNPFEDSA-N 1 0 345.443 2.660 20 10 EFCDRO CCOc1cccc(C[NH+]2CCN(c3ccc(C)cn3)CC2)c1O ZINC001203609488 1312970236 /nfs/dbraw/zinc/97/02/36/1312970236.db2.gz VJXDSJWASCJMEJ-UHFFFAOYSA-N 1 0 327.428 2.817 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)c1O ZINC001203609390 1312970388 /nfs/dbraw/zinc/97/03/88/1312970388.db2.gz QEBUGGLWNBIKIT-UHFFFAOYSA-N 1 0 332.444 2.625 20 10 EFCDRO C[C@@H]1CC/C(=C/C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881850751 1293029625 /nfs/dbraw/zinc/02/96/25/1293029625.db2.gz FJXCZMDQVUXWBS-VVZNPABPSA-N 1 0 327.472 2.801 20 10 EFCDRO CC[C@H]1CCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853257 1293030303 /nfs/dbraw/zinc/03/03/03/1293030303.db2.gz ORQHFLMGOYWMHZ-PKOBYXMFSA-N 1 0 329.488 2.881 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3ncc(C)cn3)C2)c1O ZINC001203617372 1312972389 /nfs/dbraw/zinc/97/23/89/1312972389.db2.gz OZLWENPWUREGKG-OAHLLOKOSA-N 1 0 329.400 2.543 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@H](Oc3nccnc3C)C2)c1O ZINC001203617134 1312972668 /nfs/dbraw/zinc/97/26/68/1312972668.db2.gz IZDQFMNGZPAWEI-HNNXBMFYSA-N 1 0 329.400 2.543 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC(N(C)C(=O)C(C)C)CC2)c1O ZINC001203617950 1312972677 /nfs/dbraw/zinc/97/26/77/1312972677.db2.gz ZSWSNSNYSOUVOU-UHFFFAOYSA-N 1 0 334.460 2.870 20 10 EFCDRO COc1ccc(C[NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)c(O)c1 ZINC001203621198 1312973465 /nfs/dbraw/zinc/97/34/65/1312973465.db2.gz PEVCCTQQQUCHIL-UHFFFAOYSA-N 1 0 348.443 2.844 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNc3ncncc3C)cc2F)CC1 ZINC000881953027 1293061232 /nfs/dbraw/zinc/06/12/32/1293061232.db2.gz VGIGJRHNOGYSJP-UHFFFAOYSA-N 1 0 329.423 2.678 20 10 EFCDRO COc1ccc(C[NH+]2CCC3(CCC(=O)N3CC3CC3)CC2)c(O)c1 ZINC001203623103 1312973780 /nfs/dbraw/zinc/97/37/80/1312973780.db2.gz IHVAPNVKXJSJFG-UHFFFAOYSA-N 1 0 344.455 2.768 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@]3(CCCN3C(=O)C(C)C)C2)c(O)c1 ZINC001203629951 1312975500 /nfs/dbraw/zinc/97/55/00/1312975500.db2.gz OJQQWPCJJNOSSX-LJQANCHMSA-N 1 0 332.444 2.624 20 10 EFCDRO COc1ccc(C[NH+]2CCC3(CC(N4CCCC4)=NO3)CC2)c(O)c1 ZINC001203629447 1312975682 /nfs/dbraw/zinc/97/56/82/1312975682.db2.gz KXDXIDYEADWMDI-UHFFFAOYSA-N 1 0 345.443 2.565 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@](C)(O)C2)c1O ZINC000129424154 1293090722 /nfs/dbraw/zinc/09/07/22/1293090722.db2.gz IMYHKQMYJSUGLH-AWEZNQCLSA-N 1 0 330.222 2.510 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCCCN3C(C)=O)C2)c(O)c1 ZINC001203630851 1312976091 /nfs/dbraw/zinc/97/60/91/1312976091.db2.gz XEIXWXUDDAPEBF-IBGZPJMESA-N 1 0 332.444 2.768 20 10 EFCDRO COc1ccc(C[NH+]2CCC3(CCCCN3C(C)=O)CC2)c(O)c1 ZINC001203630883 1312976251 /nfs/dbraw/zinc/97/62/51/1312976251.db2.gz XNQHIQRQOPRQMT-UHFFFAOYSA-N 1 0 332.444 2.768 20 10 EFCDRO COc1ccc(C[N@H+](C)[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1 ZINC001203634511 1312977073 /nfs/dbraw/zinc/97/70/73/1312977073.db2.gz JUHXPUNRCDJHPU-QLPKVWCKSA-N 1 0 348.443 2.698 20 10 EFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233726759 1312978488 /nfs/dbraw/zinc/97/84/88/1312978488.db2.gz HDBPKCPNYNCGGD-LLVKDONJSA-N 1 0 333.306 2.676 20 10 EFCDRO COC(=O)C[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC001203648804 1312980656 /nfs/dbraw/zinc/98/06/56/1312980656.db2.gz VHXDSOPTELACFX-SNVBAGLBSA-N 1 0 328.206 2.540 20 10 EFCDRO CCC[N@H+]1C[C@H]2CN(Cc3cc(Br)ccc3O)C[C@H]2C1 ZINC001203650618 1312981266 /nfs/dbraw/zinc/98/12/66/1312981266.db2.gz YAWTTYCXORBDHO-OKILXGFUSA-N 1 0 339.277 2.928 20 10 EFCDRO CCN(C)c1ncnc2c1CC[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001203655965 1312982283 /nfs/dbraw/zinc/98/22/83/1312982283.db2.gz GSIOYMFGUFSYNX-UHFFFAOYSA-N 1 0 346.862 2.893 20 10 EFCDRO C[C@@H](C[NH+](C)C)NC(=O)c1csc(-c2ccc(N(C)C)cc2)n1 ZINC001193175298 1293181523 /nfs/dbraw/zinc/18/15/23/1293181523.db2.gz DBVXZKUMOMKEFL-LBPRGKRZSA-N 1 0 332.473 2.556 20 10 EFCDRO Oc1ccc(Cl)cc1C[N@@H+]1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC001203656550 1312982818 /nfs/dbraw/zinc/98/28/18/1312982818.db2.gz SDJXDQPIUZIHDY-UKRRQHHQSA-N 1 0 344.846 2.794 20 10 EFCDRO CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203665805 1312983999 /nfs/dbraw/zinc/98/39/99/1312983999.db2.gz VIXNRANUKFYAEO-OAHLLOKOSA-N 1 0 340.851 2.505 20 10 EFCDRO CN(CC[N@H+](C)Cc1ccccc1)C(=O)c1ccc(O)c(O)c1Cl ZINC001193232425 1293205904 /nfs/dbraw/zinc/20/59/04/1293205904.db2.gz JAFCVYJVUGSGIS-UHFFFAOYSA-N 1 0 348.830 2.955 20 10 EFCDRO C[N@@H+]1C[C@H]2CCCN(Cc3cccc(OC(F)(F)F)c3O)[C@H]2C1 ZINC001233760086 1312985457 /nfs/dbraw/zinc/98/54/57/1312985457.db2.gz BMLGLJLCETVMJT-YPMHNXCESA-N 1 0 330.350 2.817 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2cc(OC)ccc2O)Cc2cnn(CC)c21 ZINC001203671529 1312985648 /nfs/dbraw/zinc/98/56/48/1312985648.db2.gz QQWYFMXNKBLFSX-MRXNPFEDSA-N 1 0 345.443 2.753 20 10 EFCDRO COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(OC)ccc1O)C2 ZINC001203673463 1312986371 /nfs/dbraw/zinc/98/63/71/1312986371.db2.gz ZQXQKPMVFXBVNK-BEFAXECRSA-N 1 0 335.444 2.808 20 10 EFCDRO CC(=O)N1CCC([N@H+](C)Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233761560 1312986380 /nfs/dbraw/zinc/98/63/80/1312986380.db2.gz VKWIAEXHUWNTGP-UHFFFAOYSA-N 1 0 346.349 2.734 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c1 ZINC001203673147 1312986609 /nfs/dbraw/zinc/98/66/09/1312986609.db2.gz OTXOFRCUDOBQFY-JKSUJKDBSA-N 1 0 344.436 2.842 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(NC(=O)C3CCCC3)CC2)c1 ZINC001203675080 1312986932 /nfs/dbraw/zinc/98/69/32/1312986932.db2.gz LNZGYWCFGNALNA-UHFFFAOYSA-N 1 0 332.444 2.672 20 10 EFCDRO Cc1noc([C@@H]2CC[N@H+](Cc3cccc(OC(F)(F)F)c3O)C2)n1 ZINC001233768219 1312987795 /nfs/dbraw/zinc/98/77/95/1312987795.db2.gz MLTBDYNBGXZZJX-LLVKDONJSA-N 1 0 343.305 2.972 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCN(c3nccc4occc43)CC2)c1 ZINC001203678343 1312988103 /nfs/dbraw/zinc/98/81/03/1312988103.db2.gz LOZOIUKFMCBXPL-UHFFFAOYSA-N 1 0 339.395 2.864 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](Oc3cccc(OC)n3)C2)c1 ZINC001203681377 1312988912 /nfs/dbraw/zinc/98/89/12/1312988912.db2.gz VKWHXVBMYAPAEY-MRXNPFEDSA-N 1 0 344.411 2.848 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(NC(=O)CC(C)(C)C)CC2)c1 ZINC001203680624 1312989276 /nfs/dbraw/zinc/98/92/76/1312989276.db2.gz AORVXJOZCBFSLY-UHFFFAOYSA-N 1 0 334.460 2.918 20 10 EFCDRO CCCc1nsc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000882879986 1293364781 /nfs/dbraw/zinc/36/47/81/1293364781.db2.gz WZPTVCXPSIEASX-UHFFFAOYSA-N 1 0 331.489 2.855 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ncnc4ccccc43)cc2)CC1 ZINC000882880187 1293366445 /nfs/dbraw/zinc/36/64/45/1293366445.db2.gz GAUBBLXNGBFUMX-UHFFFAOYSA-N 1 0 333.439 2.994 20 10 EFCDRO O=c1oc2ccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cc2o1 ZINC000882915461 1293381580 /nfs/dbraw/zinc/38/15/80/1293381580.db2.gz QUPLLUVBHVKJRV-UHFFFAOYSA-N 1 0 340.379 2.512 20 10 EFCDRO C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882943525 1293395621 /nfs/dbraw/zinc/39/56/21/1293395621.db2.gz XGQUSAFWZBOLQZ-UHFFFAOYSA-N 1 0 336.382 2.901 20 10 EFCDRO CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)cc(O)cc1O ZINC001273670356 1293515506 /nfs/dbraw/zinc/51/55/06/1293515506.db2.gz JKHOZMPYFPPGJM-IBGZPJMESA-N 1 0 348.443 2.561 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(N3CCNC3=O)cc2)c1O ZINC000883287499 1293532295 /nfs/dbraw/zinc/53/22/95/1293532295.db2.gz WQEOOOXNBOAYEU-ZDUSSCGKSA-N 1 0 341.411 2.781 20 10 EFCDRO C[C@@H](F)CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194367614 1293598965 /nfs/dbraw/zinc/59/89/65/1293598965.db2.gz JCEQHJJWUXBTNF-DOMZBBRYSA-N 1 0 349.410 2.743 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC3CC4(CCC4)C3)cc2)CC1 ZINC000883764881 1293705590 /nfs/dbraw/zinc/70/55/90/1293705590.db2.gz KKQUKHQTYCSYPQ-UHFFFAOYSA-N 1 0 342.487 2.570 20 10 EFCDRO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203878157 1313040212 /nfs/dbraw/zinc/04/02/12/1313040212.db2.gz QCRURAXOMJXJRA-UHFFFAOYSA-N 1 0 336.432 2.835 20 10 EFCDRO [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000775652181 1293903412 /nfs/dbraw/zinc/90/34/12/1293903412.db2.gz GJQOFBSESOXBFT-UHFFFAOYSA-N 1 0 342.842 2.729 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@]12CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203874890 1313038478 /nfs/dbraw/zinc/03/84/78/1313038478.db2.gz DWUZBEYYORMQNV-SFHVURJKSA-N 1 0 334.416 2.683 20 10 EFCDRO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccc(O)c(O)c2)N1c1ccsc1 ZINC001203876897 1313039444 /nfs/dbraw/zinc/03/94/44/1313039444.db2.gz LNTVBOVTQFSKKF-UONOGXRCSA-N 1 0 330.409 2.539 20 10 EFCDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)C[C@H]2CCCC[C@@H]12 ZINC001203878867 1313039745 /nfs/dbraw/zinc/03/97/45/1313039745.db2.gz WDXWBUMREFPZOA-OAGGEKHMSA-N 1 0 333.428 2.899 20 10 EFCDRO CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001203878869 1313039767 /nfs/dbraw/zinc/03/97/67/1313039767.db2.gz WPCRMXYBLDBOJU-AWEZNQCLSA-N 1 0 348.443 2.787 20 10 EFCDRO NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203879292 1313039798 /nfs/dbraw/zinc/03/97/98/1313039798.db2.gz HUJWBDFGMUMDQA-VQIMIIECSA-N 1 0 340.423 2.721 20 10 EFCDRO C[N@H+](Cc1ccc(O)c(O)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203878150 1313040001 /nfs/dbraw/zinc/04/00/01/1313040001.db2.gz PXEUYDUNIHMUCJ-AWEZNQCLSA-N 1 0 336.432 2.929 20 10 EFCDRO O=C1Nc2ncccc2C2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)O1 ZINC001203882940 1313040729 /nfs/dbraw/zinc/04/07/29/1313040729.db2.gz XZEZQZDOXCKVLT-UHFFFAOYSA-N 1 0 341.367 2.546 20 10 EFCDRO COc1ccc(OC2CC[NH+](Cc3ccc(O)c(O)c3)CC2)nc1 ZINC001203884534 1313041117 /nfs/dbraw/zinc/04/11/17/1313041117.db2.gz UQXMKMQDVPNMPD-UHFFFAOYSA-N 1 0 330.384 2.545 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN3CCCC[C@@H]3c3ncc[nH]3)cc2)CC1 ZINC000775667292 1293990709 /nfs/dbraw/zinc/99/07/09/1293990709.db2.gz HUBHGGKBBUDXTR-LJQANCHMSA-N 1 0 339.487 2.889 20 10 EFCDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC001203933708 1313050659 /nfs/dbraw/zinc/05/06/59/1313050659.db2.gz GPRQSAZHYMUIAW-HXUWFJFHSA-N 1 0 331.504 2.828 20 10 EFCDRO COc1ccc(N2CCCN(C(=O)C(C)(C)[C@H]([NH3+])C(C)C)CC2)cc1 ZINC000884198559 1294043866 /nfs/dbraw/zinc/04/38/66/1294043866.db2.gz ZYLLRRTYMOHSNC-GOSISDBHSA-N 1 0 347.503 2.743 20 10 EFCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)cc1 ZINC001203932149 1313050192 /nfs/dbraw/zinc/05/01/92/1313050192.db2.gz UCLCVQQWYYMDQI-KDURUIRLSA-N 1 0 336.483 2.711 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)cc1 ZINC001203932699 1313050912 /nfs/dbraw/zinc/05/09/12/1313050912.db2.gz AFUQUCPTVVRPBM-RBBKRZOGSA-N 1 0 349.478 2.858 20 10 EFCDRO COc1cc(O[C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)ccn1 ZINC001203937308 1313051673 /nfs/dbraw/zinc/05/16/73/1313051673.db2.gz UOZPMPITHDBBPY-GOSISDBHSA-N 1 0 327.428 2.810 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)cc1 ZINC001203940051 1313051775 /nfs/dbraw/zinc/05/17/75/1313051775.db2.gz HZLQSTSTGKPMKX-ICSRJNTNSA-N 1 0 341.499 2.833 20 10 EFCDRO COc1cc(C)nc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203936831 1313051827 /nfs/dbraw/zinc/05/18/27/1313051827.db2.gz OXIHDSUMJNUFJL-KRWDZBQOSA-N 1 0 342.443 2.513 20 10 EFCDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)c1 ZINC001203936864 1313051943 /nfs/dbraw/zinc/05/19/43/1313051943.db2.gz PXMZZPWWWYEFIO-SFHVURJKSA-N 1 0 327.428 2.810 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccc(C)o3)CC2)cc1 ZINC000102560385 1294322636 /nfs/dbraw/zinc/32/26/36/1294322636.db2.gz DUSZNIBBFODDAB-UHFFFAOYSA-N 1 0 343.471 2.899 20 10 EFCDRO CN1CCO[C@]2(CCC[N@H+](Cc3cc(C(C)(C)C)ccc3O)C2)C1 ZINC001276445009 1313092979 /nfs/dbraw/zinc/09/29/79/1313092979.db2.gz JJJGXVGVHPBTDU-HXUWFJFHSA-N 1 0 332.488 2.986 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC3(CNC(=O)O3)CC2)c2ccccc21 ZINC001204240432 1313106592 /nfs/dbraw/zinc/10/65/92/1313106592.db2.gz SRTZCTQNYPIWDM-UHFFFAOYSA-N 1 0 339.439 2.980 20 10 EFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccsc3)cc2)CC1 ZINC000886326002 1294856397 /nfs/dbraw/zinc/85/63/97/1294856397.db2.gz YZSWCLUYXMLDFS-UHFFFAOYSA-N 1 0 329.469 2.740 20 10 EFCDRO CCc1nc(C)c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC001203243362 1294911577 /nfs/dbraw/zinc/91/15/77/1294911577.db2.gz JSNSKTRUSWBUDN-UHFFFAOYSA-N 1 0 328.460 2.749 20 10 EFCDRO COc1ccc(Br)c(CN2C[C@@H](C)CC[C@@H]2C[NH3+])c1O ZINC001205827636 1294912048 /nfs/dbraw/zinc/91/20/48/1294912048.db2.gz HTMNBFNAHGSJMM-WDEREUQCSA-N 1 0 343.265 2.723 20 10 EFCDRO C[C@H]([NH2+]CC(=O)N1CCc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000775829948 1294920443 /nfs/dbraw/zinc/92/04/43/1294920443.db2.gz BIICNPPOJGRZQX-INIZCTEOSA-N 1 0 337.467 2.988 20 10 EFCDRO O=C1Nc2c(cccc2F)C12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204275273 1313113167 /nfs/dbraw/zinc/11/31/67/1313113167.db2.gz NPMXSPHGPREAJU-UHFFFAOYSA-N 1 0 342.370 2.723 20 10 EFCDRO Oc1ccc(C[N@@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)c(O)c1 ZINC001204275468 1313113534 /nfs/dbraw/zinc/11/35/34/1313113534.db2.gz REGPSALXJAAVOO-JTQLQIEISA-N 1 0 343.305 2.879 20 10 EFCDRO O=C1Cc2ccccc2N1C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204275305 1313113596 /nfs/dbraw/zinc/11/35/96/1313113596.db2.gz OKKUADFNPYWRJR-UHFFFAOYSA-N 1 0 338.407 2.652 20 10 EFCDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1ccc(O)cc1O)[C@@H]2C ZINC001204273450 1313113735 /nfs/dbraw/zinc/11/37/35/1313113735.db2.gz BTGHHOLABWDANS-CQSZACIVSA-N 1 0 344.459 2.711 20 10 EFCDRO CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](Cc3ccc(O)cc3O)C2)C1 ZINC001204276745 1313114304 /nfs/dbraw/zinc/11/43/04/1313114304.db2.gz PVDRDSYYBZYPFO-ZDUSSCGKSA-N 1 0 348.443 2.787 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@]12CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204276052 1313114329 /nfs/dbraw/zinc/11/43/29/1313114329.db2.gz FCVGHIXEOOZPLV-SFHVURJKSA-N 1 0 334.416 2.683 20 10 EFCDRO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204277018 1313114345 /nfs/dbraw/zinc/11/43/45/1313114345.db2.gz VZLWIAAGLDYCRH-UHFFFAOYSA-N 1 0 336.432 2.835 20 10 EFCDRO CCOC(=O)c1coc(C2CC[NH+](Cc3ccc(O)cc3O)CC2)n1 ZINC001204277768 1313115060 /nfs/dbraw/zinc/11/50/60/1313115060.db2.gz LLPGIDPFJLTPAX-UHFFFAOYSA-N 1 0 346.383 2.642 20 10 EFCDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@@H]12 ZINC001204282714 1313115875 /nfs/dbraw/zinc/11/58/75/1313115875.db2.gz TZFDVEKIJOOPCH-DAXOMENPSA-N 1 0 348.443 2.833 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)NC(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000775835628 1294966004 /nfs/dbraw/zinc/96/60/04/1294966004.db2.gz HGEKZJFIQLSIMV-CQSZACIVSA-N 1 0 346.475 2.562 20 10 EFCDRO COc1ccc2nc(C[NH2+][C@H](C)c3ccc(N(C)C)cc3)[nH]c2n1 ZINC000775834544 1294978309 /nfs/dbraw/zinc/97/83/09/1294978309.db2.gz AACMLFDFPYGMJC-GFCCVEGCSA-N 1 0 325.416 2.883 20 10 EFCDRO C[C@H]([NH2+]CC(=O)NCc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000775834306 1294979696 /nfs/dbraw/zinc/97/96/96/1294979696.db2.gz QTRDBWYETDJHJG-AWEZNQCLSA-N 1 0 329.419 2.859 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1c([O-])cccc1F ZINC000886587662 1295035555 /nfs/dbraw/zinc/03/55/55/1295035555.db2.gz CKYSSJCNTBTWJR-RHSMWYFYSA-N 1 0 344.430 2.949 20 10 EFCDRO c1cncc(CN2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)c1 ZINC001204320159 1313122247 /nfs/dbraw/zinc/12/22/47/1313122247.db2.gz MWBDIFVOHSFDJJ-UHFFFAOYSA-N 1 0 336.483 3.000 20 10 EFCDRO c1cnc(N2C[C@H]3C[NH+](Cc4ccc(N5CCCC5)cc4)C[C@@H]3C2)nc1 ZINC001204321973 1313122527 /nfs/dbraw/zinc/12/25/27/1313122527.db2.gz HMVYAFKQBHANTA-RTBURBONSA-N 1 0 349.482 2.645 20 10 EFCDRO c1cnc(N2CC[C@@]23CC[N@@H+](Cc2ccc(N4CCCC4)cc2)C3)nc1 ZINC001204327887 1313123389 /nfs/dbraw/zinc/12/33/89/1313123389.db2.gz LQDNUKFZCFXQGM-OAQYLSRUSA-N 1 0 349.482 2.932 20 10 EFCDRO c1cc(N2CCCC2)ccc1CN1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001204329663 1313123826 /nfs/dbraw/zinc/12/38/26/1313123826.db2.gz UKPNYQKVFLDHFX-HXUWFJFHSA-N 1 0 329.488 2.583 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@]3(CCO3)C2)c1O ZINC001204339722 1313124950 /nfs/dbraw/zinc/12/49/50/1313124950.db2.gz QKKYGWSMYKJUEF-HNNXBMFYSA-N 1 0 342.233 2.918 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)c1O ZINC001204336383 1313125131 /nfs/dbraw/zinc/12/51/31/1313125131.db2.gz MPJOOQGJKOCYNQ-BMIGLBTASA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)c1O ZINC001204336414 1313125210 /nfs/dbraw/zinc/12/52/10/1313125210.db2.gz NTIBDAQAXYTUTI-ZUZCIYMTSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)c1O ZINC001204335858 1313125246 /nfs/dbraw/zinc/12/52/46/1313125246.db2.gz AWOOIAHPLLMLCR-GXFFZTMASA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(C[N@@H+]2CCCN(c3ncccc3C)CC2)cc(O)c1O ZINC001204344187 1313126375 /nfs/dbraw/zinc/12/63/75/1313126375.db2.gz ZXIAACFTKOUEKI-UHFFFAOYSA-N 1 0 343.427 2.522 20 10 EFCDRO COc1cc(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cc(O)c1O ZINC001204349854 1313127277 /nfs/dbraw/zinc/12/72/77/1313127277.db2.gz COJXPDGZDXWASD-HZPDHXFCSA-N 1 0 340.423 2.675 20 10 EFCDRO CCCN(CC[NH+](C)C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000104530851 1295108026 /nfs/dbraw/zinc/10/80/26/1295108026.db2.gz OIUDDDPYITXVMX-UHFFFAOYSA-N 1 0 328.460 2.903 20 10 EFCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(OC)c2)C[C@@H]1C ZINC001204350539 1313127554 /nfs/dbraw/zinc/12/75/54/1313127554.db2.gz IHNSEDIFPCBCRB-JSGCOSHPSA-N 1 0 337.416 2.518 20 10 EFCDRO CC[C@@H](C)N1C[C@@]2(F)CN(Cc3cccc(C)c3O)C[C@@]2(F)C1=O ZINC001273769845 1295179168 /nfs/dbraw/zinc/17/91/68/1295179168.db2.gz MOBPJFJANWYTEH-JEBQAFNWSA-N 1 0 338.398 2.574 20 10 EFCDRO CN1C(=O)C[C@]2(CCC[N@H+](Cc3c(O)ccc4ccccc43)C2)C1=O ZINC001273770947 1295217288 /nfs/dbraw/zinc/21/72/88/1295217288.db2.gz XWIONEPMBVEADO-FQEVSTJZSA-N 1 0 338.407 2.516 20 10 EFCDRO CC(=O)c1cc(O)c(O)cc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001234474933 1313136415 /nfs/dbraw/zinc/13/64/15/1313136415.db2.gz ZXSDXKVYDMCVCZ-UHFFFAOYSA-N 1 0 328.368 2.743 20 10 EFCDRO COc1ccc2ccc(O)c(C[NH+]3CC4(C3)CCN(C(C)=O)C4)c2c1 ZINC001234544711 1313151883 /nfs/dbraw/zinc/15/18/83/1313151883.db2.gz LUIGVVZBGLXSQM-UHFFFAOYSA-N 1 0 340.423 2.608 20 10 EFCDRO Cc1cc([C@](C)(O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000304335303 1295461991 /nfs/dbraw/zinc/46/19/91/1295461991.db2.gz SAHREXHVLIHELG-HXUWFJFHSA-N 1 0 344.455 2.730 20 10 EFCDRO COc1ccc2ccc(O)c(C[NH+]3CCC(C)(C(N)=O)CC3)c2c1 ZINC001234553133 1313155277 /nfs/dbraw/zinc/15/52/77/1313155277.db2.gz WEEOLDWVXPKNKY-UHFFFAOYSA-N 1 0 328.412 2.641 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@H+](C)C3CCN(C(C)=O)CC3)c2c1 ZINC001234553086 1313155612 /nfs/dbraw/zinc/15/56/12/1313155612.db2.gz UJNNQJSDZCORSQ-UHFFFAOYSA-N 1 0 342.439 2.997 20 10 EFCDRO COc1cc(Br)cc(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1O ZINC000775984899 1295563072 /nfs/dbraw/zinc/56/30/72/1295563072.db2.gz HSMNOIJVXHEHBM-MNOVXSKESA-N 1 0 343.265 2.688 20 10 EFCDRO COc1cc(Br)cc(CN2CC[N@H+](C)[C@H](C)[C@H]2C)c1O ZINC000775987821 1295590057 /nfs/dbraw/zinc/59/00/57/1295590057.db2.gz WKWMKZRNTSUNMA-GHMZBOCLSA-N 1 0 343.265 2.688 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)COC(C)C)CC2)cc1C ZINC001199612538 1295621677 /nfs/dbraw/zinc/62/16/77/1295621677.db2.gz MKXAIQBMAULHLP-UHFFFAOYSA-N 1 0 334.460 2.509 20 10 EFCDRO CS[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H]1[NH+](C)C ZINC000776001395 1295647347 /nfs/dbraw/zinc/64/73/47/1295647347.db2.gz PBJAPUOREJLUTG-GJZGRUSLSA-N 1 0 342.892 2.726 20 10 EFCDRO CCC[C@H](CC(=O)OC)Oc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001234658246 1313179366 /nfs/dbraw/zinc/17/93/66/1313179366.db2.gz YMXAXXMFWCOFHB-GOSISDBHSA-N 1 0 334.460 2.939 20 10 EFCDRO CC[NH+]1CCN(c2ccc(OC[C@H](C)OC[C@@H](C)OC)cc2)CC1 ZINC001234661927 1313179904 /nfs/dbraw/zinc/17/99/04/1313179904.db2.gz XKKILFXHJIBXLJ-SJORKVTESA-N 1 0 336.476 2.647 20 10 EFCDRO CC[NH+]1CCN(c2ccc(O[C@H]3COc4cnccc43)cc2)CC1 ZINC001234661528 1313180038 /nfs/dbraw/zinc/18/00/38/1313180038.db2.gz ULVYZYINVDDQRD-IBGZPJMESA-N 1 0 325.412 2.736 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC000889660762 1295792693 /nfs/dbraw/zinc/79/26/93/1295792693.db2.gz HMFNTIANCLKONA-HKUYNNGSSA-N 1 0 342.487 2.522 20 10 EFCDRO Cc1cccc([C@@H](O)C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000305144827 1295942460 /nfs/dbraw/zinc/94/24/60/1295942460.db2.gz NEJHDVQIJLBMPS-FQEVSTJZSA-N 1 0 344.430 2.794 20 10 EFCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](O)COc1cccc(F)c1 ZINC000776050997 1295959942 /nfs/dbraw/zinc/95/99/42/1295959942.db2.gz YUSILAKXNPHEQN-LBPRGKRZSA-N 1 0 325.767 2.714 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@]3(CCN(CC(C)C)C3=O)C2)c(O)c1 ZINC001274660364 1296131328 /nfs/dbraw/zinc/13/13/28/1296131328.db2.gz JVLBOXBFTIXUSB-FQEVSTJZSA-N 1 0 346.471 2.790 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@@]3(CCN(CC(C)C)C3=O)C2)c(O)c1 ZINC001274660365 1296131395 /nfs/dbraw/zinc/13/13/95/1296131395.db2.gz JVLBOXBFTIXUSB-HXUWFJFHSA-N 1 0 346.471 2.790 20 10 EFCDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234998699 1313219550 /nfs/dbraw/zinc/21/95/50/1313219550.db2.gz NCKVHZLQDBVRHL-KRWDZBQOSA-N 1 0 339.439 2.953 20 10 EFCDRO C[C@@]1(CO)CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C[C@@H]1O ZINC001234997785 1313219671 /nfs/dbraw/zinc/21/96/71/1313219671.db2.gz DZNRGUNWWMFVOJ-ICSRJNTNSA-N 1 0 327.424 2.624 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[C@H](C[NH2+]C)C2)c2ccccc2n1C ZINC001205015361 1313221447 /nfs/dbraw/zinc/22/14/47/1313221447.db2.gz CBWIEAUQDNFAKS-OAHLLOKOSA-N 1 0 343.471 2.786 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(CN2CCO[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC001235005362 1313221663 /nfs/dbraw/zinc/22/16/63/1313221663.db2.gz HKNHWWLQVVWTLS-VQTJNVASSA-N 1 0 325.456 2.657 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CCCO2)cc1C ZINC000959865138 1296162635 /nfs/dbraw/zinc/16/26/35/1296162635.db2.gz GMLOGGMPSYMUPB-PKOBYXMFSA-N 1 0 346.471 2.653 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H](C)OC)cc1C ZINC000959908681 1296222615 /nfs/dbraw/zinc/22/26/15/1296222615.db2.gz IXTNKCXSRAKYTD-RDJZCZTQSA-N 1 0 334.460 2.509 20 10 EFCDRO O=C(Cc1ccsc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3O)[C@@H]2C1 ZINC001275267078 1296246163 /nfs/dbraw/zinc/24/61/63/1296246163.db2.gz XZVZXDJHIZPRKX-DOTOQJQBSA-N 1 0 342.464 2.729 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCC[C@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001275267474 1296246396 /nfs/dbraw/zinc/24/63/96/1296246396.db2.gz PIGMONUSOJXQGB-IBGZPJMESA-N 1 0 326.444 2.603 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCC[C@@]2(CCCN(Cc3cn[nH]c3)C2)C1 ZINC001275267197 1296246773 /nfs/dbraw/zinc/24/67/73/1296246773.db2.gz KWCPPUIGURZURL-HXUWFJFHSA-N 1 0 340.471 2.994 20 10 EFCDRO O=c1cccc(CN2CC3(C2)CCC[N@@H+](Cc2ccccc2O)C3)[nH]1 ZINC001275266963 1296247501 /nfs/dbraw/zinc/24/75/01/1296247501.db2.gz HJQZUCJZPHOAMY-UHFFFAOYSA-N 1 0 339.439 2.591 20 10 EFCDRO C[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2[O-])[C@@H]1CO ZINC001235058247 1313233325 /nfs/dbraw/zinc/23/33/25/1313233325.db2.gz ZWCIDCWZCGSWGK-TVQRCGJNSA-N 1 0 332.213 2.887 20 10 EFCDRO C[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2[O-])[C@@H]1CO ZINC001235058245 1313233641 /nfs/dbraw/zinc/23/36/41/1313233641.db2.gz ZWCIDCWZCGSWGK-NOZJJQNGSA-N 1 0 332.213 2.887 20 10 EFCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(Br)cc(F)c3[O-])C[C@@H]21 ZINC001235066584 1313234177 /nfs/dbraw/zinc/23/41/77/1313234177.db2.gz KXKRWSIHWCIQDX-YGRLFVJLSA-N 1 0 343.240 2.820 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3C)c1 ZINC001275408673 1296271905 /nfs/dbraw/zinc/27/19/05/1296271905.db2.gz PKFFBDVQLSHZHX-ROUUACIJSA-N 1 0 339.439 2.718 20 10 EFCDRO CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001037276482 1296315866 /nfs/dbraw/zinc/31/58/66/1296315866.db2.gz HEYWKSLLHYXREX-ZFWWWQNUSA-N 1 0 331.420 2.747 20 10 EFCDRO Clc1cc(CN2CCCCC23C[NH2+]C3)ccc1N1CCOCC1 ZINC001235102787 1313242158 /nfs/dbraw/zinc/24/21/58/1313242158.db2.gz UWSFUFRXUOGAEW-UHFFFAOYSA-N 1 0 335.879 2.505 20 10 EFCDRO Oc1cc(CN2CCCC[C@@]23CC[NH2+]C3)c(O)cc1Br ZINC001235130708 1313249630 /nfs/dbraw/zinc/24/96/30/1313249630.db2.gz WBSZSEFTMXWCEV-HNNXBMFYSA-N 1 0 341.249 2.578 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccccc2NS(C)(=O)=O)cc1 ZINC001235143811 1313251718 /nfs/dbraw/zinc/25/17/18/1313251718.db2.gz IIVNIEDJPLRWKV-UHFFFAOYSA-N 1 0 347.484 2.756 20 10 EFCDRO C[NH+](C)CCCOc1ccc(-c2ccn(CC3CC3)c(=O)c2)cn1 ZINC001205255690 1313260631 /nfs/dbraw/zinc/26/06/31/1313260631.db2.gz MMTNPUZAPNRUOD-UHFFFAOYSA-N 1 0 327.428 2.651 20 10 EFCDRO COc1cc(O)c(CN2CCC[C@](C)([NH3+])CC2)c(Br)c1 ZINC001205288126 1313264739 /nfs/dbraw/zinc/26/47/39/1313264739.db2.gz GNDCSDPAXQBCNJ-HNNXBMFYSA-N 1 0 343.265 2.867 20 10 EFCDRO CCOC(=O)c1c(CN2CC[NH2+]CC[C@H]2C)c2ccccc2n1C ZINC001205332303 1313270563 /nfs/dbraw/zinc/27/05/63/1313270563.db2.gz OENUSFLSRMYKFH-CQSZACIVSA-N 1 0 329.444 2.539 20 10 EFCDRO CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C)c1O ZINC001276080237 1296594685 /nfs/dbraw/zinc/59/46/85/1296594685.db2.gz LLLLIYMOZJFKOU-HDICACEKSA-N 1 0 340.471 2.766 20 10 EFCDRO Oc1ccc2cc(Br)ccc2c1CN1CC[NH2+][C@@H]2C[C@@H]21 ZINC001235295588 1313284222 /nfs/dbraw/zinc/28/42/22/1313284222.db2.gz UXQWVZNWZSXFBW-CABCVRRESA-N 1 0 333.229 2.854 20 10 EFCDRO [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001205580259 1313317101 /nfs/dbraw/zinc/31/71/01/1313317101.db2.gz RUJKPQYHSLHKDL-CQSZACIVSA-N 1 0 349.219 2.947 20 10 EFCDRO COc1cc(O)c(CN2CC[NH2+]C[C@H]2C(C)C)c(Br)c1 ZINC001235457175 1313327718 /nfs/dbraw/zinc/32/77/18/1313327718.db2.gz AENXTMWMTHTWJN-AWEZNQCLSA-N 1 0 343.265 2.593 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2ccccc2S(C)(=O)=O)c1 ZINC000926908851 1296974560 /nfs/dbraw/zinc/97/45/60/1296974560.db2.gz VITMGXUOAOIYHR-CQSZACIVSA-N 1 0 333.453 2.997 20 10 EFCDRO COc1ccc(Br)c(CN2CC[NH2+][C@H](C(C)C)C2)c1O ZINC001235471198 1313331260 /nfs/dbraw/zinc/33/12/60/1313331260.db2.gz IJAXDMHGCBJPEJ-ZDUSSCGKSA-N 1 0 343.265 2.593 20 10 EFCDRO Cc1cc(O)c(CN2CC[NH2+][C@H](C(C)C)C2)cc1Br ZINC001235475478 1313332597 /nfs/dbraw/zinc/33/25/97/1313332597.db2.gz QPYQHOUMSRLILF-AWEZNQCLSA-N 1 0 327.266 2.893 20 10 EFCDRO Cc1cc(CN2CC[NH2+][C@H](C(C)C)C2)c(O)cc1Br ZINC001235480366 1313333596 /nfs/dbraw/zinc/33/35/96/1313333596.db2.gz TYDSJHCTQAVFLM-AWEZNQCLSA-N 1 0 327.266 2.893 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2cccnc2)[NH+](C)C)cc1 ZINC000929757750 1297204926 /nfs/dbraw/zinc/20/49/26/1297204926.db2.gz LAZKCWMLOJOVRL-QGZVFWFLSA-N 1 0 327.432 2.572 20 10 EFCDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776238381 1297224981 /nfs/dbraw/zinc/22/49/81/1297224981.db2.gz NMIFBFNXMKTROC-QAPCUYQASA-N 1 0 332.492 2.795 20 10 EFCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000776239196 1297226364 /nfs/dbraw/zinc/22/63/64/1297226364.db2.gz RRXDBBWRKCRNJM-HZPDHXFCSA-N 1 0 332.492 2.797 20 10 EFCDRO F[C@H]1CCCN(Cc2ccc(N3CC[NH2+]CC3)cc2)CC1(F)F ZINC001205796844 1313357700 /nfs/dbraw/zinc/35/77/00/1313357700.db2.gz UQKPOWLQALXQCX-INIZCTEOSA-N 1 0 327.394 2.665 20 10 EFCDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001205840926 1313364417 /nfs/dbraw/zinc/36/44/17/1313364417.db2.gz ITYCEDWZVQQAOL-ZBFHGGJFSA-N 1 0 337.895 2.736 20 10 EFCDRO C[C@H]1CC[C@H](C[NH3+])N(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001205842961 1313364740 /nfs/dbraw/zinc/36/47/40/1313364740.db2.gz QGDWDHLTKQZDPM-WMLDXEAASA-N 1 0 337.895 2.736 20 10 EFCDRO C[C@H]1CN(C2C[NH+](Cc3ccc(C(C)(C)C)cc3O)C2)C[C@H](C)O1 ZINC001235678469 1313373002 /nfs/dbraw/zinc/37/30/02/1313373002.db2.gz BQQKVZWFZSDWOV-GJZGRUSLSA-N 1 0 332.488 2.983 20 10 EFCDRO CN(C)C(=O)NC1CC[NH+](Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235680143 1313373342 /nfs/dbraw/zinc/37/33/42/1313373342.db2.gz IVVLDQWBYAJAKK-UHFFFAOYSA-N 1 0 333.476 2.925 20 10 EFCDRO CC(C)(C)c1ccc(C[NH+]2CCN(c3cccnn3)CC2)c(O)c1 ZINC001235683386 1313374018 /nfs/dbraw/zinc/37/40/18/1313374018.db2.gz FMPXBXVCOBXFLP-UHFFFAOYSA-N 1 0 326.444 2.802 20 10 EFCDRO CCOC(=O)c1c(CN2CCCC[C@@H]([NH3+])C2)c2ccccc2n1C ZINC001205938799 1313378841 /nfs/dbraw/zinc/37/88/41/1313378841.db2.gz KYPXVSPOCCCHTF-CQSZACIVSA-N 1 0 329.444 2.668 20 10 EFCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206003466 1313389903 /nfs/dbraw/zinc/38/99/03/1313389903.db2.gz IHHGBRPYYZWMQB-KBPBESRZSA-N 1 0 330.428 2.614 20 10 EFCDRO COCCCN(Cc1c(O)cc(OC)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001235808106 1313401496 /nfs/dbraw/zinc/40/14/96/1313401496.db2.gz BUKLFZUQFPZBLG-CYBMUJFWSA-N 1 0 342.867 2.645 20 10 EFCDRO COCCCN(Cc1c(O)cc(OC)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC001235808107 1313401529 /nfs/dbraw/zinc/40/15/29/1313401529.db2.gz BUKLFZUQFPZBLG-ZDUSSCGKSA-N 1 0 342.867 2.645 20 10 EFCDRO Oc1cc(O)c(CN2CC[NH2+]C[C@H]2Cc2ccccc2)cc1Cl ZINC001235849807 1313409296 /nfs/dbraw/zinc/40/92/96/1313409296.db2.gz NZBKFFVKRKHSSS-OAHLLOKOSA-N 1 0 332.831 2.768 20 10 EFCDRO [NH3+][C@H]1CN(Cc2ccc(OCC(F)(F)F)cc2O)CC(F)(F)C1 ZINC001206146683 1313411726 /nfs/dbraw/zinc/41/17/26/1313411726.db2.gz XSJLRVMEAPFIGA-SNVBAGLBSA-N 1 0 340.292 2.502 20 10 EFCDRO COC(=O)c1c(CN2CC[NH2+][C@@H](CC(C)C)C2)c2ccccc2n1C ZINC001235881238 1313414205 /nfs/dbraw/zinc/41/42/05/1313414205.db2.gz FNNGIUKSFFTSNI-HNNXBMFYSA-N 1 0 343.471 2.785 20 10 EFCDRO Cc1cc(O)c(CN2CC[C@H]([NH3+])C(F)(F)C2)cc1Br ZINC001235915464 1313417702 /nfs/dbraw/zinc/41/77/02/1313417702.db2.gz QNBDBCNVFXOGRF-LBPRGKRZSA-N 1 0 335.192 2.631 20 10 EFCDRO C[C@@H]([NH2+]CCN1CCC(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000155988805 1297712114 /nfs/dbraw/zinc/71/21/14/1297712114.db2.gz DOYKXEUCIQJBBZ-GOSISDBHSA-N 1 0 331.504 2.906 20 10 EFCDRO CCN(Cc1c2ccccc2n(C)c1C(=O)OC)[C@@H]1CCC[NH2+]C1 ZINC001236009151 1313430580 /nfs/dbraw/zinc/43/05/80/1313430580.db2.gz XINYPXLYDKSMCN-CQSZACIVSA-N 1 0 329.444 2.539 20 10 EFCDRO [NH3+][C@@]12C[C@@H]1CN(Cc1c(O)ccc3cc(Br)ccc31)C2 ZINC001236030054 1313432010 /nfs/dbraw/zinc/43/20/10/1313432010.db2.gz VGLCWMIRKDBKMW-BDJLRTHQSA-N 1 0 333.229 2.841 20 10 EFCDRO [NH3+]C[C@@]1(F)CCCCN(Cc2cc(O)c(Br)cc2O)C1 ZINC001206369592 1313442925 /nfs/dbraw/zinc/44/29/25/1313442925.db2.gz GBYBVJOIKKNCOX-AWEZNQCLSA-N 1 0 347.228 2.513 20 10 EFCDRO [NH3+]C[C@]1(F)CCCCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001206370151 1313443492 /nfs/dbraw/zinc/44/34/92/1313443492.db2.gz LGBLWNDMTAABGG-CQSZACIVSA-N 1 0 336.329 2.944 20 10 EFCDRO [NH3+]C[C@]1(F)CCCCN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001206370237 1313443526 /nfs/dbraw/zinc/44/35/26/1313443526.db2.gz MLMZTJFLAXNXRD-CQSZACIVSA-N 1 0 336.329 2.944 20 10 EFCDRO CN1CCOc2cc(CN3CC[NH2+]C[C@H]3c3ccc(F)cc3)ccc21 ZINC001236126274 1313444349 /nfs/dbraw/zinc/44/43/49/1313444349.db2.gz UDYXXFIDSMSYES-IBGZPJMESA-N 1 0 341.430 2.801 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(CN2CC(O)([C@H]3CCCC[NH2+]3)C2)cc1 ZINC001236161832 1313449334 /nfs/dbraw/zinc/44/93/34/1313449334.db2.gz AUXOFUJMPBMKFS-HXUWFJFHSA-N 1 0 339.483 2.783 20 10 EFCDRO CCC[C@H]1CN(Cc2cc(Br)c(OC)cc2O)CC[NH2+]1 ZINC001236177988 1313452241 /nfs/dbraw/zinc/45/22/41/1313452241.db2.gz IEMTWINZCIRRTD-LBPRGKRZSA-N 1 0 343.265 2.737 20 10 EFCDRO [NH3+][C@H]1C[C@H](F)CN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001206435080 1313453360 /nfs/dbraw/zinc/45/33/60/1313453360.db2.gz JPSOPAFLBLMRAK-IRXDYDNUSA-N 1 0 330.403 2.842 20 10 EFCDRO COc1cc(Br)cc(CN(C)[C@]2(C)CCC[NH2+]C2)c1O ZINC001236200037 1313455200 /nfs/dbraw/zinc/45/52/00/1313455200.db2.gz HSYWWKSKHPBVFM-OAHLLOKOSA-N 1 0 343.265 2.737 20 10 EFCDRO CN(Cc1ccc(N2CCOCC2)cc1Cl)[C@]1(C)CCC[NH2+]C1 ZINC001236207094 1313455539 /nfs/dbraw/zinc/45/55/39/1313455539.db2.gz ONUQZJRXNFOAIR-GOSISDBHSA-N 1 0 337.895 2.751 20 10 EFCDRO [NH3+][C@H]1C[C@@H](F)CN(Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001206447642 1313456343 /nfs/dbraw/zinc/45/63/43/1313456343.db2.gz YPCFHIHVSLXOAF-SJORKVTESA-N 1 0 330.403 2.842 20 10 EFCDRO COc1cc(O)c(CN(C)[C@@H]2CCCC[C@H]2[NH3+])c(Br)c1 ZINC001236218063 1313457371 /nfs/dbraw/zinc/45/73/71/1313457371.db2.gz RHJYNBXHBADNNY-ZIAGYGMSSA-N 1 0 343.265 2.865 20 10 EFCDRO CC(C)[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000961046088 1298066823 /nfs/dbraw/zinc/06/68/23/1298066823.db2.gz IAUNKVXAYSGWGF-HNNXBMFYSA-N 1 0 331.420 2.794 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236238945 1313459550 /nfs/dbraw/zinc/45/95/50/1313459550.db2.gz FJKAVWPQWNWCBT-SFHVURJKSA-N 1 0 349.906 2.893 20 10 EFCDRO COC(=O)c1c(CN(C2CC2)[C@@H]2CCC[NH2+]C2)c2ccccc2n1C ZINC001236242750 1313460068 /nfs/dbraw/zinc/46/00/68/1313460068.db2.gz YRVVJFMIVHLZIA-OAHLLOKOSA-N 1 0 341.455 2.681 20 10 EFCDRO Oc1ccc2cc(Br)ccc2c1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236297844 1313466900 /nfs/dbraw/zinc/46/69/00/1313466900.db2.gz TXASWUSUIVLEJI-NHYWBVRUSA-N 1 0 333.229 2.712 20 10 EFCDRO COCCN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236326508 1313469677 /nfs/dbraw/zinc/46/96/77/1313469677.db2.gz AZKQLIKOQYYJMJ-HXUWFJFHSA-N 1 0 331.504 2.877 20 10 EFCDRO CCOC(=O)c1c(CN(CC)C[C@@H]2CC[NH2+]C2)c2ccccc2n1C ZINC001236409832 1313476896 /nfs/dbraw/zinc/47/68/96/1313476896.db2.gz XKVOAYBNWKFOEQ-OAHLLOKOSA-N 1 0 343.471 2.786 20 10 EFCDRO CCOC(=O)c1c(CN(CC)C[C@H]2CC[NH2+]C2)c2ccccc2n1C ZINC001236409831 1313477200 /nfs/dbraw/zinc/47/72/00/1313477200.db2.gz XKVOAYBNWKFOEQ-HNNXBMFYSA-N 1 0 343.471 2.786 20 10 EFCDRO CCOc1ccc(N2CCN(C[C@@H]([NH3+])c3ccccc3)CC2)cc1 ZINC001236434646 1313481109 /nfs/dbraw/zinc/48/11/09/1313481109.db2.gz VNUFETTYAYNUTK-HXUWFJFHSA-N 1 0 325.456 2.907 20 10 EFCDRO COc1ccc(N2CCN(Cc3cccnc3OC)CC2)c(C)c1 ZINC001206603723 1313482489 /nfs/dbraw/zinc/48/24/89/1313482489.db2.gz YVHCGSUBTJPGKN-UHFFFAOYSA-N 1 0 327.428 2.729 20 10 EFCDRO CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001049918678 1313484120 /nfs/dbraw/zinc/48/41/20/1313484120.db2.gz SDZZITLOHJQVAS-LSDHHAIUSA-N 1 0 329.404 2.548 20 10 EFCDRO CC(C)N(Cc1ccc(N2CCOCC2)cc1F)[C@@H]1CCC[NH2+]C1 ZINC001236468960 1313484721 /nfs/dbraw/zinc/48/47/21/1313484721.db2.gz SBSYSKREMLOTCB-GOSISDBHSA-N 1 0 335.467 2.625 20 10 EFCDRO CC[N@@H+](Cc1ccc(N)cc1)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001236632797 1313501399 /nfs/dbraw/zinc/50/13/99/1313501399.db2.gz APOQSMHVDRVGEF-NRFANRHFSA-N 1 0 339.483 2.992 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c1 ZINC001236668653 1313506668 /nfs/dbraw/zinc/50/66/68/1313506668.db2.gz DJCZDRKOQYXPCO-DOMZBBRYSA-N 1 0 339.277 2.989 20 10 EFCDRO Oc1cc(C[N@@H+]2CCCC[C@@](O)(CF)C2)c(O)cc1Br ZINC001236764181 1313524794 /nfs/dbraw/zinc/52/47/94/1313524794.db2.gz CVHBEZAJSFXNQU-CQSZACIVSA-N 1 0 348.212 2.547 20 10 EFCDRO COC[C@H]1CC[N@H+](Cc2cc(OC)c(Br)cc2O)C1 ZINC001236748188 1313520884 /nfs/dbraw/zinc/52/08/84/1313520884.db2.gz MYAOTGZYIOLJIC-JTQLQIEISA-N 1 0 330.222 2.632 20 10 EFCDRO COc1cc(CN2CCC[C@H]([NH+](C)C)C2)c(O)cc1Br ZINC001236745438 1313521083 /nfs/dbraw/zinc/52/10/83/1313521083.db2.gz CVHAQNAEFCITIM-LBPRGKRZSA-N 1 0 343.265 2.689 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)c(O)cc1Br ZINC001236749073 1313521500 /nfs/dbraw/zinc/52/15/00/1313521500.db2.gz YFFFWMUGCKEHHT-GWCFXTLKSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c(O)cc1Br ZINC001236749079 1313521517 /nfs/dbraw/zinc/52/15/17/1313521517.db2.gz YFFFWMUGCKEHHT-ZWNOBZJWSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC3(CC(F)(F)CO3)CC2)cc1OC ZINC001236750789 1313521603 /nfs/dbraw/zinc/52/16/03/1313521603.db2.gz YMPNPOSISKKSQU-UHFFFAOYSA-N 1 0 343.370 2.800 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CO)c(O)cc1Br ZINC001236749075 1313521802 /nfs/dbraw/zinc/52/18/02/1313521802.db2.gz YFFFWMUGCKEHHT-GXFFZTMASA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)cc1OC ZINC001236750077 1313521998 /nfs/dbraw/zinc/52/19/98/1313521998.db2.gz OAPNSOAFWOHVJO-OAHLLOKOSA-N 1 0 349.349 2.689 20 10 EFCDRO CC[N@@H+]1CCN(Cc2cc(OC)c(Br)cc2O)[C@H](C)C1 ZINC001236751614 1313522276 /nfs/dbraw/zinc/52/22/76/1313522276.db2.gz UQQCBIXIVJITIX-LLVKDONJSA-N 1 0 343.265 2.689 20 10 EFCDRO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001236753332 1313522312 /nfs/dbraw/zinc/52/23/12/1313522312.db2.gz LWNIGRJCCLHWTE-CYBMUJFWSA-N 1 0 337.416 2.575 20 10 EFCDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000305754158 1298549054 /nfs/dbraw/zinc/54/90/54/1298549054.db2.gz VVFSMBXWVHPXQD-KDOFPFPSSA-N 1 0 348.418 2.857 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c(O)cc1Br ZINC001236756078 1313522906 /nfs/dbraw/zinc/52/29/06/1313522906.db2.gz IJYCGBVKMGDLMU-IINYFYTJSA-N 1 0 342.233 2.774 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)c(O)cc1Br ZINC001236757728 1313523091 /nfs/dbraw/zinc/52/30/91/1313523091.db2.gz WUEWSONEXPSTTP-GXSJLCMTSA-N 1 0 330.222 2.509 20 10 EFCDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(O)c(Br)cc1O ZINC001236763282 1313524297 /nfs/dbraw/zinc/52/42/97/1313524297.db2.gz XWFJDKSHYWPVNO-ZDUSSCGKSA-N 1 0 330.222 2.596 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2cc(O)c(Br)cc2O)CCC[C@]1(C)O ZINC001236769570 1313525017 /nfs/dbraw/zinc/52/50/17/1313525017.db2.gz WEMWSPVQWOXAHA-BMIGLBTASA-N 1 0 344.249 2.843 20 10 EFCDRO CO[C@H]1CCC[N@H+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001236770068 1313525129 /nfs/dbraw/zinc/52/51/29/1313525129.db2.gz CGRFUOBGWYCCSF-NSHDSACASA-N 1 0 330.222 2.861 20 10 EFCDRO Oc1cc(CN2CC[NH+](C3CCC3)CC2)c(O)cc1Br ZINC001236773708 1313525718 /nfs/dbraw/zinc/52/57/18/1313525718.db2.gz SLJJYOLRXACUPN-UHFFFAOYSA-N 1 0 341.249 2.530 20 10 EFCDRO CC[N@H+](Cc1cc(O)c(Br)cc1O)C1CCN(C)CC1 ZINC001236775499 1313526882 /nfs/dbraw/zinc/52/68/82/1313526882.db2.gz MYUXIPHNTIIWDT-UHFFFAOYSA-N 1 0 343.265 2.776 20 10 EFCDRO CCc1ccc(C[N@@H+]2CC3CC2(C(=O)NCc2ccco2)C3)c(O)c1 ZINC001236786196 1313528768 /nfs/dbraw/zinc/52/87/68/1313528768.db2.gz DIHJJGKZIABHJP-UHFFFAOYSA-N 1 0 340.423 2.828 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2ccc(CC)cc2O)Cc2cn(C)nc21 ZINC001236788223 1313529048 /nfs/dbraw/zinc/52/90/48/1313529048.db2.gz ZKHACFLMYJORBC-KRWDZBQOSA-N 1 0 329.444 2.824 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2ccc(CC)cc2O)Cc2c1cnn2C ZINC001236787582 1313529348 /nfs/dbraw/zinc/52/93/48/1313529348.db2.gz WTXKMWIYBQZJRR-MRXNPFEDSA-N 1 0 329.444 2.824 20 10 EFCDRO CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)c(O)c1 ZINC001236788141 1313529673 /nfs/dbraw/zinc/52/96/73/1313529673.db2.gz RXSBJBJMLOIYBR-ROUUACIJSA-N 1 0 328.456 2.930 20 10 EFCDRO [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001236795516 1313530734 /nfs/dbraw/zinc/53/07/34/1313530734.db2.gz FVZBRNOETJYNLG-GFCCVEGCSA-N 1 0 331.243 2.606 20 10 EFCDRO COc1cc(O)c(CN2CC3(C2)CC[N@H+](CC2CC2)C3)c(Cl)c1 ZINC001236797612 1313531561 /nfs/dbraw/zinc/53/15/61/1313531561.db2.gz PEHIZVSBWFPGRW-UHFFFAOYSA-N 1 0 336.863 2.972 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c(Cl)c1 ZINC001236797507 1313531650 /nfs/dbraw/zinc/53/16/50/1313531650.db2.gz FRAMVYIXQIMGEQ-CYBMUJFWSA-N 1 0 339.741 2.801 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c(O)c1 ZINC001236807655 1313533194 /nfs/dbraw/zinc/53/31/94/1313533194.db2.gz HVFASWXQFGXPKW-QLPKVWCKSA-N 1 0 348.443 2.664 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@H](Oc3ncncc3C)C2)c([O-])c1Cl ZINC001236809760 1313534058 /nfs/dbraw/zinc/53/40/58/1313534058.db2.gz OEAKLRBELGLTTM-ZDUSSCGKSA-N 1 0 349.818 2.806 20 10 EFCDRO COc1cc(C)c(C[NH+]2CC(N3CCC(F)(F)CC3)C2)c(O)c1 ZINC001236810039 1313534532 /nfs/dbraw/zinc/53/45/32/1313534532.db2.gz BBIFKLYFCOBLFL-UHFFFAOYSA-N 1 0 326.387 2.625 20 10 EFCDRO CN(C)c1ccc(/C=C/CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903984406 1313537595 /nfs/dbraw/zinc/53/75/95/1313537595.db2.gz VPFZZBPEYHLDAA-PIGHNIFASA-N 1 0 327.394 2.977 20 10 EFCDRO COC(=O)[C@@H]1COCCC12C[NH+](Cc1cc3ccccc3cc1O)C2 ZINC001236831200 1313537781 /nfs/dbraw/zinc/53/77/81/1313537781.db2.gz GASZGODEZDEOGK-KRWDZBQOSA-N 1 0 341.407 2.557 20 10 EFCDRO CCN1CCO[C@@H]2C[N@H+](Cc3cc4ccccc4cc3O)C[C@@H]2C1 ZINC001236832414 1313538279 /nfs/dbraw/zinc/53/82/79/1313538279.db2.gz MTQYFZQAZQQYQP-AZUAARDMSA-N 1 0 326.440 2.698 20 10 EFCDRO Oc1cc2ccccc2cc1CN1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001236835776 1313538429 /nfs/dbraw/zinc/53/84/29/1313538429.db2.gz SAJBFVDAOCJTDX-LJQANCHMSA-N 1 0 326.440 2.842 20 10 EFCDRO O=C1OCCN1C1CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236834420 1313538828 /nfs/dbraw/zinc/53/88/28/1313538828.db2.gz YQPJSAKOYZINAY-UHFFFAOYSA-N 1 0 326.396 2.962 20 10 EFCDRO CN(C)C(=O)NC1CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236836602 1313539115 /nfs/dbraw/zinc/53/91/15/1313539115.db2.gz LJYVUNWYCAUAMW-UHFFFAOYSA-N 1 0 327.428 2.781 20 10 EFCDRO Cc1cc(N2CC[NH+](Cc3cc4ccccc4cc3O)CC2)ncn1 ZINC001236836152 1313539352 /nfs/dbraw/zinc/53/93/52/1313539352.db2.gz YJRFTPHSCUZNHX-UHFFFAOYSA-N 1 0 334.423 2.966 20 10 EFCDRO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236920904 1313552701 /nfs/dbraw/zinc/55/27/01/1313552701.db2.gz APOHRSLVMJJLGX-GJZGRUSLSA-N 1 0 338.879 2.769 20 10 EFCDRO CN(CC[NH+]1CCCC1)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236919816 1313552859 /nfs/dbraw/zinc/55/28/59/1313552859.db2.gz QRIACJOPCYCITR-UHFFFAOYSA-N 1 0 337.895 2.704 20 10 EFCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C[C@]1(C)O ZINC001236921407 1313553506 /nfs/dbraw/zinc/55/35/06/1313553506.db2.gz GAWXFGRMFXCDBO-KDOFPFPSSA-N 1 0 338.879 2.769 20 10 EFCDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236920991 1313553524 /nfs/dbraw/zinc/55/35/24/1313553524.db2.gz BNHCCVKTFJHEBO-LSDHHAIUSA-N 1 0 337.895 2.701 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001236922975 1313553890 /nfs/dbraw/zinc/55/38/90/1313553890.db2.gz WEABMQCFIDGSJL-GOSISDBHSA-N 1 0 349.906 2.847 20 10 EFCDRO O=C1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3Cl)C[C@@H]12 ZINC001236926847 1313554845 /nfs/dbraw/zinc/55/48/45/1313554845.db2.gz NVNFPFCSWYRJGZ-RHSMWYFYSA-N 1 0 348.874 2.978 20 10 EFCDRO O=C1CCC[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3Cl)C[C@H]12 ZINC001236926849 1313554892 /nfs/dbraw/zinc/55/48/92/1313554892.db2.gz NVNFPFCSWYRJGZ-YOEHRIQHSA-N 1 0 348.874 2.978 20 10 EFCDRO CC[N@@H+]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)[C@H](C)C1 ZINC001236927781 1313555054 /nfs/dbraw/zinc/55/50/54/1313555054.db2.gz WTMUZPXFOGREIO-OAHLLOKOSA-N 1 0 337.895 2.703 20 10 EFCDRO C[NH+](C)C[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236928528 1313555396 /nfs/dbraw/zinc/55/53/96/1313555396.db2.gz XIQQHFTXKLJUCM-KRWDZBQOSA-N 1 0 337.895 2.703 20 10 EFCDRO CN(CCC[NH+](C)C)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236928086 1313555756 /nfs/dbraw/zinc/55/57/56/1313555756.db2.gz HCQOWEOBUHDRHZ-UHFFFAOYSA-N 1 0 325.884 2.560 20 10 EFCDRO CCN(Cc1ccccn1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236937458 1313557049 /nfs/dbraw/zinc/55/70/49/1313557049.db2.gz INVJQAZDBAFEMG-UHFFFAOYSA-N 1 0 342.462 2.995 20 10 EFCDRO COCCCN(Cc1cc(C(F)(F)F)ccc1O)[C@H]1CC[NH2+]C1 ZINC001236947099 1313559379 /nfs/dbraw/zinc/55/93/79/1313559379.db2.gz RUDNHISTTXAIEX-AWEZNQCLSA-N 1 0 332.366 2.611 20 10 EFCDRO COCCCN(Cc1ccc(C(F)(F)F)cc1O)[C@H]1CC[NH2+]C1 ZINC001236949311 1313559718 /nfs/dbraw/zinc/55/97/18/1313559718.db2.gz YKVKBWQVWYULMB-AWEZNQCLSA-N 1 0 332.366 2.611 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3ccoc3)C2)cc1C ZINC000961556517 1298875354 /nfs/dbraw/zinc/87/53/54/1298875354.db2.gz YHYOUMVHZPNKCY-UHFFFAOYSA-N 1 0 328.412 2.895 20 10 EFCDRO COCCCN(Cc1cc2c3c(c1)CCCN3CCC2)[C@H]1CC[NH2+]C1 ZINC001236949803 1313560045 /nfs/dbraw/zinc/56/00/45/1313560045.db2.gz XLTIGYJXBYUFLP-FQEVSTJZSA-N 1 0 343.515 2.586 20 10 EFCDRO Oc1cc(C(F)(F)F)ccc1CN1CC[NH2+]C[C@H]1C(F)(F)F ZINC001236982993 1313565856 /nfs/dbraw/zinc/56/58/56/1313565856.db2.gz UJQTVRGIFXDKIT-NSHDSACASA-N 1 0 328.256 2.747 20 10 EFCDRO Oc1c(CN2CC[NH2+]C[C@H]2C(F)(F)F)cccc1C(F)(F)F ZINC001236983811 1313566699 /nfs/dbraw/zinc/56/66/99/1313566699.db2.gz WPOGINLSRCBRME-JTQLQIEISA-N 1 0 328.256 2.747 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c(O)c1 ZINC001237048948 1313576090 /nfs/dbraw/zinc/57/60/90/1313576090.db2.gz BPYLANKZZXFYBF-NHYWBVRUSA-N 1 0 333.350 2.926 20 10 EFCDRO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237050492 1313576191 /nfs/dbraw/zinc/57/61/91/1313576191.db2.gz FNQBAERICADIIA-HNNXBMFYSA-N 1 0 329.444 2.991 20 10 EFCDRO CCC[NH2+]CC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001206962032 1313572910 /nfs/dbraw/zinc/57/29/10/1313572910.db2.gz VWRGBCSFGMXVPA-UHFFFAOYSA-N 1 0 331.420 2.701 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2ccc(OCC)cc2O)Cc2cnn(C)c21 ZINC001237040358 1313573648 /nfs/dbraw/zinc/57/36/48/1313573648.db2.gz HLPCWCQIOWUDAN-INIZCTEOSA-N 1 0 345.443 2.660 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCN(CC)C3=O)C2)c(O)c1 ZINC001237040597 1313573665 /nfs/dbraw/zinc/57/36/65/1313573665.db2.gz IFEICTQZHUJEHM-LJQANCHMSA-N 1 0 332.444 2.625 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)c(O)c1 ZINC001237041407 1313574140 /nfs/dbraw/zinc/57/41/40/1313574140.db2.gz IIJACLVOBDXRNR-KRWDZBQOSA-N 1 0 332.444 2.768 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC(NC(=O)CC(C)C)CC2)c(O)c1 ZINC001237041927 1313574332 /nfs/dbraw/zinc/57/43/32/1313574332.db2.gz QLAYQBCEMXAWJT-UHFFFAOYSA-N 1 0 334.460 2.918 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccn3)C2)c(O)c1 ZINC001237046500 1313575183 /nfs/dbraw/zinc/57/51/83/1313575183.db2.gz DCIASTRWRNWYFP-MRXNPFEDSA-N 1 0 329.400 2.624 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCCN(c3cccnc3)CC2)c(O)c1 ZINC001237046495 1313575275 /nfs/dbraw/zinc/57/52/75/1313575275.db2.gz DAEAMPFNGCQLGC-UHFFFAOYSA-N 1 0 327.428 2.898 20 10 EFCDRO CC[NH+](CC)CCN(C)Cc1c(O)cc(OC)cc1Br ZINC001237064254 1313580116 /nfs/dbraw/zinc/58/01/16/1313580116.db2.gz YTDXFGDWWNEHKC-UHFFFAOYSA-N 1 0 345.281 2.937 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCOC[C@H](C)C2)c(Br)c1 ZINC001237063745 1313580364 /nfs/dbraw/zinc/58/03/64/1313580364.db2.gz UPUGGNYOEHUASY-SNVBAGLBSA-N 1 0 330.222 2.632 20 10 EFCDRO CCO[C@@H]1C[C@H]2CN(Cc3c(O)ccc(Cl)c3Cl)CC[N@@H+]2C1 ZINC001237081083 1313582779 /nfs/dbraw/zinc/58/27/79/1313582779.db2.gz QNGSVGYMOSQSFQ-NWDGAFQWSA-N 1 0 345.270 2.994 20 10 EFCDRO CCOC(=O)CC[N@H+](C)Cc1c(O)cc(OC)cc1Br ZINC001237073649 1313583067 /nfs/dbraw/zinc/58/30/67/1313583067.db2.gz UCQJJUHHFNKIBU-UHFFFAOYSA-N 1 0 346.221 2.548 20 10 EFCDRO CN1CCN(c2ccc(C[NH+]3CCCC3)cc2Br)CC1 ZINC001237091090 1313585014 /nfs/dbraw/zinc/58/50/14/1313585014.db2.gz WXJLDQIWMSTALY-UHFFFAOYSA-N 1 0 338.293 2.797 20 10 EFCDRO COC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237052555 1313576655 /nfs/dbraw/zinc/57/66/55/1313576655.db2.gz BPTSOULVDHYQBK-HNNXBMFYSA-N 1 0 329.444 2.991 20 10 EFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237051783 1313577263 /nfs/dbraw/zinc/57/72/63/1313577263.db2.gz QOWKRDHKDGDOIK-GFCCVEGCSA-N 1 0 347.333 2.718 20 10 EFCDRO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237054028 1313577516 /nfs/dbraw/zinc/57/75/16/1313577516.db2.gz SVMGBJGROJCIAU-VXGBXAGGSA-N 1 0 333.350 2.926 20 10 EFCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237056782 1313577685 /nfs/dbraw/zinc/57/76/85/1313577685.db2.gz OLUJGHKCJOKFNT-GFCCVEGCSA-N 1 0 347.333 2.718 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001237057351 1313577923 /nfs/dbraw/zinc/57/79/23/1313577923.db2.gz BNBYWWQSMGXMPD-WFASDCNBSA-N 1 0 331.334 2.944 20 10 EFCDRO OC[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237053788 1313577976 /nfs/dbraw/zinc/57/79/76/1313577976.db2.gz QMTUADAZYMXLQJ-GFCCVEGCSA-N 1 0 333.350 2.928 20 10 EFCDRO CC(C)c1ccc(C[NH+]2CCN(CC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC001237054376 1313578006 /nfs/dbraw/zinc/57/80/06/1313578006.db2.gz XINWVCJFNKFZSL-UHFFFAOYSA-N 1 0 348.487 2.975 20 10 EFCDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237054026 1313578104 /nfs/dbraw/zinc/57/81/04/1313578104.db2.gz SVMGBJGROJCIAU-NWDGAFQWSA-N 1 0 333.350 2.926 20 10 EFCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237060069 1313578826 /nfs/dbraw/zinc/57/88/26/1313578826.db2.gz SYCSBEBAEASIKI-LBPRGKRZSA-N 1 0 347.333 2.861 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H](O)C2)c(Br)c1 ZINC001237061729 1313579200 /nfs/dbraw/zinc/57/92/00/1313579200.db2.gz HBGHSPOPBTURLV-JTQLQIEISA-N 1 0 330.222 2.510 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC001237061800 1313579324 /nfs/dbraw/zinc/57/93/24/1313579324.db2.gz KNDNLGUAMMNUDU-CQSZACIVSA-N 1 0 331.334 2.944 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1CN1CC[NH+](CC2CC2)CC1 ZINC001237110213 1313587625 /nfs/dbraw/zinc/58/76/25/1313587625.db2.gz ANZMJNORYJIEAU-UHFFFAOYSA-N 1 0 330.350 2.818 20 10 EFCDRO Cc1nc(CC[N@@H+](C)Cc2c(O)cccc2OC(F)(F)F)no1 ZINC001237115010 1313588439 /nfs/dbraw/zinc/58/84/39/1313588439.db2.gz DLIHNUCAHVCKJD-UHFFFAOYSA-N 1 0 331.294 2.657 20 10 EFCDRO O=C1OCCC12CC[NH+](Cc1c(O)cccc1OC(F)(F)F)CC2 ZINC001237115317 1313588912 /nfs/dbraw/zinc/58/89/12/1313588912.db2.gz RAHGZEKVTGCHEI-UHFFFAOYSA-N 1 0 345.317 2.820 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](COc3ccccc3)C1)[C@H](O)CO2 ZINC000779883833 1299115087 /nfs/dbraw/zinc/11/50/87/1299115087.db2.gz GOAMWZUNGFHLFJ-IFXJQAMLSA-N 1 0 341.407 2.719 20 10 EFCDRO CN(C)C1=NOC2(C1)CC[NH+](Cc1c(O)ccc(F)c1Cl)CC2 ZINC001237121155 1313590866 /nfs/dbraw/zinc/59/08/66/1313590866.db2.gz KPWADLSISCORKP-UHFFFAOYSA-N 1 0 341.814 2.815 20 10 EFCDRO COC(=O)C[C@H]1CC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237124776 1313591312 /nfs/dbraw/zinc/59/13/12/1313591312.db2.gz DOTCUPAYQOTIJZ-SNVBAGLBSA-N 1 0 333.306 2.676 20 10 EFCDRO CN(C)C(=O)[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237138406 1313592326 /nfs/dbraw/zinc/59/23/26/1313592326.db2.gz BZZUJJAPDTYSHA-NSHDSACASA-N 1 0 330.350 2.711 20 10 EFCDRO CO[C@H]1C[NH2+]C[C@@H]1N(C)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237174041 1313598052 /nfs/dbraw/zinc/59/80/52/1313598052.db2.gz WJNVKETUMNBNHX-HKUYNNGSSA-N 1 0 330.403 2.617 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(N2CCOCC2)cc1 ZINC000305845055 1299199110 /nfs/dbraw/zinc/19/91/10/1299199110.db2.gz SITWGXYFUUUIBJ-MRXNPFEDSA-N 1 0 326.440 2.866 20 10 EFCDRO CCC[N@H+](Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H](C)CC ZINC001237204294 1313605283 /nfs/dbraw/zinc/60/52/83/1313605283.db2.gz ZDOLSSRWDWHOEZ-INIZCTEOSA-N 1 0 338.517 2.932 20 10 EFCDRO O=S1(=O)CCN(c2ccc(C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)cc2)CC1 ZINC001237203698 1313605436 /nfs/dbraw/zinc/60/54/36/1313605436.db2.gz VNTFLCQVUVZWFM-HDICACEKSA-N 1 0 348.512 2.543 20 10 EFCDRO COC(=O)c1c(CN2CC[NH2+]C3=CCCC[C@H]32)c2ccccc2n1C ZINC001237224343 1313609520 /nfs/dbraw/zinc/60/95/20/1313609520.db2.gz FMIMQLOODKNZOS-GOSISDBHSA-N 1 0 339.439 2.807 20 10 EFCDRO CCN1CC[C@@H]([N@H+](CC)Cc2cc(Br)ccc2O)C1=O ZINC000851793538 1299398653 /nfs/dbraw/zinc/39/86/53/1299398653.db2.gz XFYKXQMOTNRXKS-CYBMUJFWSA-N 1 0 341.249 2.597 20 10 EFCDRO CC(C)CNC(=O)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000851895368 1299453825 /nfs/dbraw/zinc/45/38/25/1299453825.db2.gz DPHJQFTYWVBAFG-KRWDZBQOSA-N 1 0 347.503 2.726 20 10 EFCDRO COc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)sn1 ZINC000851898265 1299455302 /nfs/dbraw/zinc/45/53/02/1299455302.db2.gz USTWZMGKALCAHK-ZDUSSCGKSA-N 1 0 333.457 2.839 20 10 EFCDRO Oc1ccc(Br)cc1CN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237383893 1313633168 /nfs/dbraw/zinc/63/31/68/1313633168.db2.gz SFICNZOMYUGDNK-FZMZJTMJSA-N 1 0 325.250 2.729 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@H]3CC34CC4)C2)cc1C ZINC000962358237 1299614481 /nfs/dbraw/zinc/61/44/81/1299614481.db2.gz XFNWQRDLIMNZPD-OFLPRAFFSA-N 1 0 328.456 2.788 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237414970 1313640771 /nfs/dbraw/zinc/64/07/71/1313640771.db2.gz NSARNFDYRPXPDH-SWLSCSKDSA-N 1 0 344.377 2.907 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000852466717 1299715062 /nfs/dbraw/zinc/71/50/62/1299715062.db2.gz UQYUSYUQLSHBHG-OLZOCXBDSA-N 1 0 335.448 2.634 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000852466719 1299715228 /nfs/dbraw/zinc/71/52/28/1299715228.db2.gz UQYUSYUQLSHBHG-STQMWFEESA-N 1 0 335.448 2.634 20 10 EFCDRO Cc1cccc(O)c1C[NH+]1C[C@@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC001237488992 1313654636 /nfs/dbraw/zinc/65/46/36/1313654636.db2.gz TXAWPDDQRWIBPN-HZPDHXFCSA-N 1 0 342.464 2.966 20 10 EFCDRO COCCN1CC[N@H+](Cc2c(C)cccc2O)Cc2cccnc21 ZINC001237488755 1313655186 /nfs/dbraw/zinc/65/51/86/1313655186.db2.gz OYDAYADFMUKXQP-UHFFFAOYSA-N 1 0 327.428 2.564 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCCC(C)=O)C2)cc1C ZINC001207319210 1313658496 /nfs/dbraw/zinc/65/84/96/1313658496.db2.gz FNOOVMZOEOKPMR-GOSISDBHSA-N 1 0 346.471 2.844 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000853241708 1300063118 /nfs/dbraw/zinc/06/31/18/1300063118.db2.gz XEYISNNIACDFNW-HOCLYGCPSA-N 1 0 346.471 2.951 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000853241705 1300063168 /nfs/dbraw/zinc/06/31/68/1300063168.db2.gz XEYISNNIACDFNW-GOEBONIOSA-N 1 0 346.471 2.951 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)c(O)c(OC)c1 ZINC001237670324 1313688099 /nfs/dbraw/zinc/68/80/99/1313688099.db2.gz SRGQKIQRTYGJBF-BMIGLBTASA-N 1 0 349.349 2.545 20 10 EFCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cc(Br)c(C)cc2O)C1 ZINC001237678740 1313689701 /nfs/dbraw/zinc/68/97/01/1313689701.db2.gz LRUYYQROMZQDSC-NSHDSACASA-N 1 0 342.233 2.848 20 10 EFCDRO Cc1cc(O)c(CN2CCC[C@H]([NH+](C)C)C2)cc1Br ZINC001237678071 1313690010 /nfs/dbraw/zinc/69/00/10/1313690010.db2.gz IQMQTCBTZGIGQX-ZDUSSCGKSA-N 1 0 327.266 2.989 20 10 EFCDRO Cc1cc(O)c(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC001237679590 1313690045 /nfs/dbraw/zinc/69/00/45/1313690045.db2.gz RPFYHRQRWGLHBE-CYBMUJFWSA-N 1 0 325.250 2.743 20 10 EFCDRO Cc1cc(O)c(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1Br ZINC001237680781 1313690094 /nfs/dbraw/zinc/69/00/94/1313690094.db2.gz FIPIMFYOIKREHL-MRXNPFEDSA-N 1 0 339.277 2.991 20 10 EFCDRO CCc1noc(C2CC[NH+](Cc3cc(OC)cc(OC)c3O)CC2)n1 ZINC001237677800 1313690273 /nfs/dbraw/zinc/69/02/73/1313690273.db2.gz IHXCTXPMHANHDC-UHFFFAOYSA-N 1 0 347.415 2.734 20 10 EFCDRO Cc1cc(O)c(C[N@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)cc1Br ZINC001237682206 1313690457 /nfs/dbraw/zinc/69/04/57/1313690457.db2.gz NUABUWKCWVRMAB-IXPVHAAZSA-N 1 0 326.234 2.930 20 10 EFCDRO CC[NH+](CC)CCN1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC001237680800 1313690819 /nfs/dbraw/zinc/69/08/19/1313690819.db2.gz HUEKOYNYKSAWFD-UHFFFAOYSA-N 1 0 339.911 2.813 20 10 EFCDRO COc1cc(CN(C)CC[N@H+](C)Cc2ccccc2)c(O)c(OC)c1 ZINC001237683227 1313690830 /nfs/dbraw/zinc/69/08/30/1313690830.db2.gz GASZORRSOUTMPZ-UHFFFAOYSA-N 1 0 344.455 2.973 20 10 EFCDRO Cc1cc(O)c(C[N@H+]2CCc3nccn3CC2)cc1Br ZINC001237683237 1313691129 /nfs/dbraw/zinc/69/11/29/1313691129.db2.gz XHGKRACPZWIMCY-UHFFFAOYSA-N 1 0 336.233 2.718 20 10 EFCDRO COc1cc(C[NH+]2CCC(n3nccc3C)CC2)c(O)c(OC)c1 ZINC001237684778 1313691654 /nfs/dbraw/zinc/69/16/54/1313691654.db2.gz QTPKGQFCUOOIML-UHFFFAOYSA-N 1 0 331.416 2.751 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](Oc3cccc(C)n3)C2)c(O)c(OC)c1 ZINC001237686398 1313691712 /nfs/dbraw/zinc/69/17/12/1313691712.db2.gz YSCSPPKOAUEKKQ-OAHLLOKOSA-N 1 0 344.411 2.766 20 10 EFCDRO Cc1cc(Cl)cc(CN2CC[NH+](CCC(C)(C)O)CC2)c1O ZINC001237687502 1313692220 /nfs/dbraw/zinc/69/22/20/1313692220.db2.gz FDCPCGZUVMWOIW-UHFFFAOYSA-N 1 0 326.868 2.633 20 10 EFCDRO COC[C@H]1Cn2nccc2C[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC001237687933 1313692275 /nfs/dbraw/zinc/69/22/75/1313692275.db2.gz YWKDSKQIQFWKED-CYBMUJFWSA-N 1 0 335.835 2.829 20 10 EFCDRO Cc1cc(Cl)cc(CN2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1O ZINC001237687549 1313692370 /nfs/dbraw/zinc/69/23/70/1313692370.db2.gz LPINAZAITPQYDR-CALCHBBNSA-N 1 0 336.863 2.649 20 10 EFCDRO COc1cnc(O[C@@H]2CC[N@H+](Cc3cc(Cl)cc(C)c3O)C2)nc1 ZINC001237690494 1313692748 /nfs/dbraw/zinc/69/27/48/1313692748.db2.gz YKBHKQAELXQCEW-CQSZACIVSA-N 1 0 349.818 2.806 20 10 EFCDRO COc1cc(C[NH+]2CCN(c3ccccc3)CC2)c(O)c(OC)c1 ZINC001237671586 1313689101 /nfs/dbraw/zinc/68/91/01/1313689101.db2.gz CPOXQGJGLQSFGI-UHFFFAOYSA-N 1 0 328.412 2.732 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3cccnc3)C2)c(O)c(OC)c1 ZINC001237677087 1313689380 /nfs/dbraw/zinc/68/93/80/1313689380.db2.gz WUUFRPYWKNYYIA-INIZCTEOSA-N 1 0 344.411 2.848 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC[C@H](C)[NH+](C)C ZINC000854176163 1300461855 /nfs/dbraw/zinc/46/18/55/1300461855.db2.gz BQRXTYIGLMOHKP-CVEARBPZSA-N 1 0 334.508 2.631 20 10 EFCDRO CC1=CCC=C[C@@H]1C(=O)N1CC2(C1)C[NH+](Cc1cccc(F)c1[O-])C2 ZINC001276538611 1313707389 /nfs/dbraw/zinc/70/73/89/1313707389.db2.gz XXODFOPCXQEHAN-INIZCTEOSA-N 1 0 342.414 2.698 20 10 EFCDRO COCCCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207532451 1313708799 /nfs/dbraw/zinc/70/87/99/1313708799.db2.gz ZSXGWFVFPQIQHW-QGZVFWFLSA-N 1 0 334.460 2.511 20 10 EFCDRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1cccc(O)c1O)CC2 ZINC000854676803 1300662207 /nfs/dbraw/zinc/66/22/07/1300662207.db2.gz COMUEUSAHDDNOY-UHFFFAOYSA-N 1 0 332.444 2.824 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000245573346 1300663058 /nfs/dbraw/zinc/66/30/58/1300663058.db2.gz YXKIIVWMDOPTMW-XYJFISCASA-N 1 0 348.487 2.865 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000245800744 1300783419 /nfs/dbraw/zinc/78/34/19/1300783419.db2.gz ACXCRJTWKZUQEY-KKUMJFAQSA-N 1 0 349.475 2.881 20 10 EFCDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000776813038 1300969262 /nfs/dbraw/zinc/96/92/62/1300969262.db2.gz RMQPHSJDYIGNMG-PMACEKPBSA-N 1 0 348.487 2.587 20 10 EFCDRO O=C1CCCC2(CC[NH+](Cc3cc(F)c(Cl)cc3[O-])CC2)N1 ZINC001237938094 1313733930 /nfs/dbraw/zinc/73/39/30/1313733930.db2.gz SUYCDSXBTLVNFL-UHFFFAOYSA-N 1 0 326.799 2.819 20 10 EFCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000776866761 1301204785 /nfs/dbraw/zinc/20/47/85/1301204785.db2.gz IVBWBNVSDXQTQY-HZUKXOBISA-N 1 0 329.824 2.517 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CCCN(Cc3ccncc3)CC2)c1O ZINC001238059028 1313752798 /nfs/dbraw/zinc/75/27/98/1313752798.db2.gz YJJLYFWDNKGXDL-UHFFFAOYSA-N 1 0 329.419 2.943 20 10 EFCDRO CCN(CC)C(=O)NC1CC[NH+](Cc2cc(F)cc(C)c2O)CC1 ZINC001238065837 1313753965 /nfs/dbraw/zinc/75/39/65/1313753965.db2.gz FQQPTWBMQMVIIY-UHFFFAOYSA-N 1 0 337.439 2.856 20 10 EFCDRO Cc1cc(F)cc(C[NH+]2CCN(CCc3ccncc3)CC2)c1O ZINC001238060403 1313753259 /nfs/dbraw/zinc/75/32/59/1313753259.db2.gz ALPFAVYOHCHMNF-UHFFFAOYSA-N 1 0 329.419 2.595 20 10 EFCDRO CCOC[C@H]1Cn2nccc2C[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238061995 1313753637 /nfs/dbraw/zinc/75/36/37/1313753637.db2.gz SBEBXOAYGQYXIY-CQSZACIVSA-N 1 0 333.407 2.705 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@H](Oc3nccnc3C)C2)c1O ZINC001238069497 1313754948 /nfs/dbraw/zinc/75/49/48/1313754948.db2.gz ZUWJJEUMGTXJFJ-INIZCTEOSA-N 1 0 331.391 2.982 20 10 EFCDRO COc1cccc(O[C@@H]2CC[N@H+](Cc3cc(F)cc(C)c3O)C2)n1 ZINC001238068520 1313755302 /nfs/dbraw/zinc/75/53/02/1313755302.db2.gz VFMUHDDYCPJKDZ-OAHLLOKOSA-N 1 0 332.375 2.897 20 10 EFCDRO COc1cccc(N2CC[NH+](Cc3cc(F)cc(C)c3O)CC2)n1 ZINC001238071352 1313755536 /nfs/dbraw/zinc/75/55/36/1313755536.db2.gz VWFFBZUAZRFIMA-UHFFFAOYSA-N 1 0 331.391 2.566 20 10 EFCDRO Cc1cc(F)cc(C[NH+]2CCN(CCc3ccccn3)CC2)c1O ZINC001238062809 1313754004 /nfs/dbraw/zinc/75/40/04/1313754004.db2.gz RZBXAWBQOQKFIM-UHFFFAOYSA-N 1 0 329.419 2.595 20 10 EFCDRO CC1(C[NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)COC1 ZINC001207798408 1313776558 /nfs/dbraw/zinc/77/65/58/1313776558.db2.gz AHJHSMIEBAZUKK-UHFFFAOYSA-N 1 0 330.350 2.744 20 10 EFCDRO COc1ccc(C[NH+]2CCN(c3ccccc3)CC2)c(O)c1OC ZINC000090515864 1301731784 /nfs/dbraw/zinc/73/17/84/1301731784.db2.gz OPQZGXBLYYITOM-UHFFFAOYSA-N 1 0 328.412 2.732 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@H](C)OC)C2)cc1C ZINC001207883215 1313795339 /nfs/dbraw/zinc/79/53/39/1313795339.db2.gz DCHRNWNOFZXVET-FUHWJXTLSA-N 1 0 348.487 2.899 20 10 EFCDRO O=S(=O)(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238302333 1313795402 /nfs/dbraw/zinc/79/54/02/1313795402.db2.gz YWSDAMDAHKWERO-ZXQNWLOYSA-N 1 0 342.424 2.598 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)c2cnco2)cc1C ZINC001037052283 1302006060 /nfs/dbraw/zinc/00/60/60/1302006060.db2.gz WDJWMSNZQZZNST-CVEARBPZSA-N 1 0 343.427 2.680 20 10 EFCDRO O=S(=O)(NCCC1C[NH2+]C1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238394696 1313810722 /nfs/dbraw/zinc/81/07/22/1313810722.db2.gz RUMBOWYOLBNQLP-QZQOTICOSA-N 1 0 344.440 2.990 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1F ZINC000796468816 1302059408 /nfs/dbraw/zinc/05/94/08/1302059408.db2.gz JRMGJLSEDPELKL-MRXNPFEDSA-N 1 0 348.466 2.662 20 10 EFCDRO O=S(=O)(NC[C@@H]1CC[NH2+]1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238411485 1313814578 /nfs/dbraw/zinc/81/45/78/1313814578.db2.gz CYWADENSSBYYHV-CVTQAYBASA-N 1 0 330.413 2.742 20 10 EFCDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862236737 1302317609 /nfs/dbraw/zinc/31/76/09/1302317609.db2.gz CKGPDHCDRHUQFO-CYBMUJFWSA-N 1 0 339.430 2.769 20 10 EFCDRO COCCC1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000862438087 1302386410 /nfs/dbraw/zinc/38/64/10/1302386410.db2.gz XBFAQINNENRQDO-UHFFFAOYSA-N 1 0 336.451 2.911 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@](O)(c3ccccc3)C1)OCO2 ZINC000862482163 1302394070 /nfs/dbraw/zinc/39/40/70/1302394070.db2.gz DVSIXFKDZVZZQV-LJQANCHMSA-N 1 0 327.380 2.605 20 10 EFCDRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]Cc1cc(C)ccc1O ZINC000862476562 1302394692 /nfs/dbraw/zinc/39/46/92/1302394692.db2.gz VQRYHUIWLSRWQH-UHFFFAOYSA-N 1 0 345.443 2.755 20 10 EFCDRO Cc1cccc(C[N@H+](C)CCOCCNC(=O)OC(C)(C)C)c1O ZINC000862525434 1302404083 /nfs/dbraw/zinc/40/40/83/1302404083.db2.gz BDYHTSSUTLKAPY-UHFFFAOYSA-N 1 0 338.448 2.674 20 10 EFCDRO CC(C)N1CCC[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)C1=O ZINC000748270927 1313844489 /nfs/dbraw/zinc/84/44/89/1313844489.db2.gz ZYIUZDFLMPBFNQ-LPHOPBHVSA-N 1 0 345.487 2.573 20 10 EFCDRO Cc1c(CN2CC3(CCN3C(=O)NC(C)C)C2)c2ccccc2n1C ZINC001276556731 1313851269 /nfs/dbraw/zinc/85/12/69/1313851269.db2.gz QGDAIXCFUPVRIM-UHFFFAOYSA-N 1 0 340.471 2.865 20 10 EFCDRO C[NH+](C)CCN1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001208130419 1313853468 /nfs/dbraw/zinc/85/34/68/1313853468.db2.gz DVUCBKRFSDILHV-UHFFFAOYSA-N 1 0 339.483 2.949 20 10 EFCDRO O[C@H](CNc1ccccc1OC[C@@H]1CCCCO1)C[NH+]1CCCC1 ZINC000863556849 1302648308 /nfs/dbraw/zinc/64/83/08/1302648308.db2.gz YAYJZWAFFUOHNP-SJORKVTESA-N 1 0 334.460 2.503 20 10 EFCDRO CCOc1ccc(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(O)c1 ZINC000863646980 1302667424 /nfs/dbraw/zinc/66/74/24/1302667424.db2.gz UBSIKWSTQRWKDJ-OCCSQVGLSA-N 1 0 332.366 2.750 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ccc4[nH]c(=O)[nH]c4c3)cc2)CC1 ZINC000863985090 1302753900 /nfs/dbraw/zinc/75/39/00/1302753900.db2.gz PGIBVMMJSIWAAR-UHFFFAOYSA-N 1 0 337.427 2.632 20 10 EFCDRO C[C@]1(C(N)=O)CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000794713825 1303038348 /nfs/dbraw/zinc/03/83/48/1303038348.db2.gz OEIBBTBFIDWYDI-IBGZPJMESA-N 1 0 328.412 2.715 20 10 EFCDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(C)cc1O ZINC000794804005 1303105694 /nfs/dbraw/zinc/10/56/94/1303105694.db2.gz LKVSGKPIEGXCBS-QGZVFWFLSA-N 1 0 348.468 2.720 20 10 EFCDRO CN(C)c1cncc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000865294184 1303209936 /nfs/dbraw/zinc/20/99/36/1303209936.db2.gz DHRVELPWKSGUMC-UHFFFAOYSA-N 1 0 325.460 2.512 20 10 EFCDRO O=c1ccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c[nH]1 ZINC000865461945 1303268819 /nfs/dbraw/zinc/26/88/19/1303268819.db2.gz FCPWOUQAYDGPAZ-INIZCTEOSA-N 1 0 347.846 2.900 20 10 EFCDRO CCOC(=O)C1(C)CC([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000866243175 1303576989 /nfs/dbraw/zinc/57/69/89/1303576989.db2.gz VWRYISSHILMJBA-FVWXCPNNSA-N 1 0 346.471 2.906 20 10 EFCDRO CCCCCCNC(=S)NCc1ccc(N2CC[NH2+]CC2)cc1 ZINC001239368508 1313930114 /nfs/dbraw/zinc/93/01/14/1313930114.db2.gz GZJOFHHSPRFSGM-UHFFFAOYSA-N 1 0 334.533 2.641 20 10 EFCDRO CC(C)[C@H](CNC(=O)NCc1ccccc1O)[NH+]1CCC(C)CC1 ZINC000748461594 1313939258 /nfs/dbraw/zinc/93/92/58/1313939258.db2.gz ZVNAJEKWUCJOPK-KRWDZBQOSA-N 1 0 333.476 2.948 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc(Cl)c[nH]3)C2)cc1C ZINC000966965853 1304505438 /nfs/dbraw/zinc/50/54/38/1304505438.db2.gz FCGZLNXZGAMGNZ-OAHLLOKOSA-N 1 0 347.846 2.989 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(C)n3C)C2)cc1C ZINC000967057103 1304615263 /nfs/dbraw/zinc/61/52/63/1304615263.db2.gz WPDLIJJWJYNHPT-QGZVFWFLSA-N 1 0 341.455 2.655 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CC(F)(F)C3)C2)cc1C ZINC001018693327 1314005175 /nfs/dbraw/zinc/00/51/75/1314005175.db2.gz ZROJWCBOYFVZCV-HNNXBMFYSA-N 1 0 338.398 2.739 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC3(CCC3)CC2)cc1 ZINC000796512037 1304799347 /nfs/dbraw/zinc/79/93/47/1304799347.db2.gz CEAKYABGNSGPCQ-UHFFFAOYSA-N 1 0 329.488 2.977 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1=CC(=O)CS1 ZINC000869801334 1304977320 /nfs/dbraw/zinc/97/73/20/1304977320.db2.gz HKSJYCZHYAUFGS-DZGCQCFKSA-N 1 0 330.453 2.952 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cccc(-n2cnnn2)c1 ZINC000122911700 1305099752 /nfs/dbraw/zinc/09/97/52/1305099752.db2.gz XGYGTKREYNXQDM-OAHLLOKOSA-N 1 0 348.454 2.896 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)/C=C\c3ccc[nH]3)C2)cc1C ZINC001018767011 1314038644 /nfs/dbraw/zinc/03/86/44/1314038644.db2.gz JZLMRXKXXIDVPD-POZKEBTKSA-N 1 0 339.439 2.736 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@@H]1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001209005970 1314067506 /nfs/dbraw/zinc/06/75/06/1314067506.db2.gz XDDUGUUPYHMHLH-OAHLLOKOSA-N 1 0 348.443 2.855 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)CC[NH2+]CC3CC3)cc2)CC1 ZINC000870884310 1305655154 /nfs/dbraw/zinc/65/51/54/1305655154.db2.gz TZIQPWYJQDSZQT-UHFFFAOYSA-N 1 0 329.488 2.929 20 10 EFCDRO Oc1cc2c(cc1O)C[N@H+](CC1CCC3(CC1)OCCO3)CCC2 ZINC001209104179 1314089447 /nfs/dbraw/zinc/08/94/47/1314089447.db2.gz WXJCRNPJWKQIKU-UHFFFAOYSA-N 1 0 333.428 2.779 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C)n3cccc3)C2)cc1C ZINC000968439085 1306321567 /nfs/dbraw/zinc/32/15/67/1306321567.db2.gz XGFGLAQEOCARLQ-FUHWJXTLSA-N 1 0 341.455 2.757 20 10 EFCDRO CCOC1CC(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)C1 ZINC000968577835 1306468489 /nfs/dbraw/zinc/46/84/89/1306468489.db2.gz YUSRXEAGAUAIFG-LXPRWKDFSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(F)F)[C@@H](C)C2)cc1C ZINC001044402449 1306472560 /nfs/dbraw/zinc/47/25/60/1306472560.db2.gz VXSODAJHZMACSZ-JSGCOSHPSA-N 1 0 326.387 2.738 20 10 EFCDRO C[C@H]1CC[N@H+](CCCF)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000968684666 1306565860 /nfs/dbraw/zinc/56/58/60/1306565860.db2.gz GOVCYUWIAKRJKS-SWLSCSKDSA-N 1 0 349.410 2.649 20 10 EFCDRO CC(C)[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968685130 1306566648 /nfs/dbraw/zinc/56/66/48/1306566648.db2.gz NMHMOSMMLQWERX-SWLSCSKDSA-N 1 0 331.420 2.698 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cocn3)[C@@H](C)C2)cc1C ZINC001044508785 1306572409 /nfs/dbraw/zinc/57/24/09/1306572409.db2.gz ODNYZZPLINGFGU-HOCLYGCPSA-N 1 0 343.427 2.775 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2ccsn2)cc1C ZINC001045086358 1307041361 /nfs/dbraw/zinc/04/13/61/1307041361.db2.gz FAVYCYFNMFZOMO-HNNXBMFYSA-N 1 0 345.468 2.855 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](OC)C(C)C)cc1C ZINC001045184392 1307120041 /nfs/dbraw/zinc/12/00/41/1307120041.db2.gz PCYHNGFMSSBBBD-PKOBYXMFSA-N 1 0 348.487 2.755 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2nocc2C)cc1C ZINC001045266733 1307188578 /nfs/dbraw/zinc/18/85/78/1307188578.db2.gz LAHFHANVGMESRK-INIZCTEOSA-N 1 0 343.427 2.694 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)cc1 ZINC001209516392 1314178491 /nfs/dbraw/zinc/17/84/91/1314178491.db2.gz FKSJIXZMRRXNGG-WOJBJXKFSA-N 1 0 328.456 2.659 20 10 EFCDRO COC(=O)C1(O)CC[NH+](Cc2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC001209520178 1314178972 /nfs/dbraw/zinc/17/89/72/1314178972.db2.gz PWFLYOCLKPGNFU-UHFFFAOYSA-N 1 0 342.439 2.594 20 10 EFCDRO COc1ccc(N2CC[NH+](Cc3c4ccccc4nn3C)CC2)cc1 ZINC001209537272 1314182932 /nfs/dbraw/zinc/18/29/32/1314182932.db2.gz IJMLCQPNQSAKLU-UHFFFAOYSA-N 1 0 336.439 2.904 20 10 EFCDRO CC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CC[NH+](CC2CC2)CC1 ZINC001045650725 1307502128 /nfs/dbraw/zinc/50/21/28/1307502128.db2.gz LVFGJOKDIVKJOA-UHFFFAOYSA-N 1 0 343.431 2.843 20 10 EFCDRO CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001007791955 1307605276 /nfs/dbraw/zinc/60/52/76/1307605276.db2.gz MQGMPDGAEIAJTH-MRXNPFEDSA-N 1 0 349.475 2.729 20 10 EFCDRO COc1cccc(C[NH2+]CCCNC(=O)/C=C/c2ccccc2)c1O ZINC000800313003 1307691013 /nfs/dbraw/zinc/69/10/13/1307691013.db2.gz ZKDNUHFHJJBVCA-VAWYXSNFSA-N 1 0 340.423 2.710 20 10 EFCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000748962480 1314215513 /nfs/dbraw/zinc/21/55/13/1314215513.db2.gz BSYCTZTXVDBPOL-MAUKXSAKSA-N 1 0 332.492 2.767 20 10 EFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCC34CCC4)cc2)C1 ZINC000800477280 1307926904 /nfs/dbraw/zinc/92/69/04/1307926904.db2.gz UCCARENGCBWHJT-FUHWJXTLSA-N 1 0 327.472 2.811 20 10 EFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCC34CCC4)cc2)C1 ZINC000800477281 1307926912 /nfs/dbraw/zinc/92/69/12/1307926912.db2.gz UCCARENGCBWHJT-SJLPKXTDSA-N 1 0 327.472 2.811 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC3CCC3)C2)cc1 ZINC001009672604 1308604496 /nfs/dbraw/zinc/60/44/96/1308604496.db2.gz MHSSOUIEWUZGKH-MRXNPFEDSA-N 1 0 343.431 2.843 20 10 EFCDRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000800896409 1308636217 /nfs/dbraw/zinc/63/62/17/1308636217.db2.gz IZEDFERMEWNIEX-NRFANRHFSA-N 1 0 340.467 2.963 20 10 EFCDRO Cc1ccc(C)c(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N2CC=CC2)c1O ZINC001278358572 1314265954 /nfs/dbraw/zinc/26/59/54/1314265954.db2.gz WDYPVMKWCVMORC-KCITZHQASA-N 1 0 340.467 2.912 20 10 EFCDRO COc1cc(N(C)C)ccc1CN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001210357982 1314318745 /nfs/dbraw/zinc/31/87/45/1314318745.db2.gz YQTUZDJVFOYOCP-LJQANCHMSA-N 1 0 339.483 2.778 20 10 EFCDRO CN1CCOc2cc(CN3CC[NH2+][C@H](Cc4ccccc4)C3)ccc21 ZINC001210357979 1314319025 /nfs/dbraw/zinc/31/90/25/1314319025.db2.gz YQTMTWDLOLZTBU-LJQANCHMSA-N 1 0 337.467 2.532 20 10 EFCDRO C[C@@]1(NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@H+](CC2CCC2)C1 ZINC001046862458 1309551818 /nfs/dbraw/zinc/55/18/18/1309551818.db2.gz KJACZLAUAZVJQF-GOSISDBHSA-N 1 0 343.431 2.843 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3(CF)CCC3)C2)cc1C ZINC001019406655 1314317478 /nfs/dbraw/zinc/31/74/78/1314317478.db2.gz NZBPYNPFTBLPQI-INIZCTEOSA-N 1 0 334.435 2.834 20 10 EFCDRO Oc1cc(OCc2ccccc2)ccc1CN1CC[NH2+]C[C@@H](F)C1 ZINC001210609082 1314359197 /nfs/dbraw/zinc/35/91/97/1314359197.db2.gz CNVPGERYYYIHGT-QGZVFWFLSA-N 1 0 330.403 2.715 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc(Cl)no3)C2)cc1C ZINC001019689963 1314425011 /nfs/dbraw/zinc/42/50/11/1314425011.db2.gz HYXBKONPBJZSOX-ZDUSSCGKSA-N 1 0 349.818 2.649 20 10 EFCDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000749287426 1311026052 /nfs/dbraw/zinc/02/60/52/1311026052.db2.gz HSXIUYLIOZBFPY-UHFFFAOYSA-N 1 0 334.460 2.735 20 10 EFCDRO CS(=O)(=O)Cc1ccccc1C[NH2+]Cc1c(O)cccc1Cl ZINC000749287267 1311026074 /nfs/dbraw/zinc/02/60/74/1311026074.db2.gz KCELIXHLSKSRJB-UHFFFAOYSA-N 1 0 339.844 2.880 20 10 EFCDRO C[N@H+](CCCN1CCOC1=O)Cc1ccc(N2CCCCC2)cc1 ZINC000749330991 1311026739 /nfs/dbraw/zinc/02/67/39/1311026739.db2.gz GYXCRWJPSWCAFT-UHFFFAOYSA-N 1 0 331.460 2.951 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)C(F)F)C2)cc1C ZINC001047663256 1311052858 /nfs/dbraw/zinc/05/28/58/1311052858.db2.gz JQHRFNVSFFGAKA-JSGCOSHPSA-N 1 0 326.387 2.595 20 10 EFCDRO Cc1cc(CN2CC[C@]23CCC[NH2+]C3)c(O)cc1Br ZINC001222203724 1311098432 /nfs/dbraw/zinc/09/84/32/1311098432.db2.gz LDRMQDWNOLKQCX-HNNXBMFYSA-N 1 0 325.250 2.791 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[C@]3(CC[NH2+]3)C2)c2ccccc2n1C ZINC001222287623 1311110336 /nfs/dbraw/zinc/11/03/36/1311110336.db2.gz NVQSRTHNKNUGRB-FQEVSTJZSA-N 1 0 341.455 2.683 20 10 EFCDRO COC(=O)c1c(CN2CCC[C@@]3(CCC[NH2+]3)C2)c2ccccc2n1C ZINC001222353785 1311118291 /nfs/dbraw/zinc/11/82/91/1311118291.db2.gz HGDCILBJSYFXEP-FQEVSTJZSA-N 1 0 341.455 2.683 20 10 EFCDRO Oc1c(CN2CC[C@]3(C2)CCCC[NH2+]3)cc2c3c1CCCN3CCC2 ZINC001222427916 1311129427 /nfs/dbraw/zinc/12/94/27/1311129427.db2.gz XTGNOYJXXLQKTP-NRFANRHFSA-N 1 0 341.499 2.809 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222497299 1311141550 /nfs/dbraw/zinc/14/15/50/1311141550.db2.gz BMGULWBUBUJONZ-SFTDATJTSA-N 1 0 338.499 2.620 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)c3cocn3)C2)cc1C ZINC001047761430 1311151665 /nfs/dbraw/zinc/15/16/65/1311151665.db2.gz KOOAHLJSWPKYKD-HOCLYGCPSA-N 1 0 343.427 2.632 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)c3cocn3)C2)cc1C ZINC001047761427 1311151853 /nfs/dbraw/zinc/15/18/53/1311151853.db2.gz KOOAHLJSWPKYKD-GDBMZVCRSA-N 1 0 343.427 2.632 20 10 EFCDRO CC(C)(C)c1cccc(CN2CC[NH2+]C[C@@]3(CCCCN3)C2)c1O ZINC001222680684 1311172273 /nfs/dbraw/zinc/17/22/73/1311172273.db2.gz IFHUZTWNWHDQBB-FQEVSTJZSA-N 1 0 331.504 2.607 20 10 EFCDRO Cc1cc(Br)cc(CN2CC3(C2)CC[N@@H+](C)C3)c1O ZINC001276861172 1311214794 /nfs/dbraw/zinc/21/47/94/1311214794.db2.gz NNGNQBZAZPBXKV-UHFFFAOYSA-N 1 0 325.250 2.601 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)c3cnco3)C2)cc1C ZINC001047922247 1311292085 /nfs/dbraw/zinc/29/20/85/1311292085.db2.gz VDKIDVAIQJOMRQ-GOEBONIOSA-N 1 0 343.427 2.632 20 10 EFCDRO NC(=O)CC1CCC2(CC1)CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001276914727 1311296994 /nfs/dbraw/zinc/29/69/94/1311296994.db2.gz UCXGTPACBASVTH-UHFFFAOYSA-N 1 0 332.444 2.746 20 10 EFCDRO Cc1cc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NC(C)(C)C)C2)ccc1N(C)C ZINC001276929171 1311316277 /nfs/dbraw/zinc/31/62/77/1311316277.db2.gz NKFCUOYOHSOPQZ-OXQOHEQNSA-N 1 0 329.488 2.798 20 10 EFCDRO Cc1cc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CCCCO2)ccc1N(C)C ZINC001276929227 1311317168 /nfs/dbraw/zinc/31/71/68/1311317168.db2.gz PPSAHRGCOUJKFE-FXAWDEMLSA-N 1 0 343.471 2.579 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CC=CC3)CC2)cc1 ZINC001276958066 1311362905 /nfs/dbraw/zinc/36/29/05/1311362905.db2.gz DJUKZQFASILROA-LJQANCHMSA-N 1 0 339.483 2.753 20 10 EFCDRO CCN(C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccc(N(C)C)cc1)C(C)C ZINC001276958653 1311366815 /nfs/dbraw/zinc/36/68/15/1311366815.db2.gz SKOXMHUVEUICIR-XLIONFOSSA-N 1 0 329.488 2.974 20 10 EFCDRO CCCn1nccc1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001158961047 1311424592 /nfs/dbraw/zinc/42/45/92/1311424592.db2.gz QSLLPZGUSUWQMZ-UHFFFAOYSA-N 1 0 344.459 2.520 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3CCC3)C[C@H]2C)cc1C ZINC001048094623 1311451257 /nfs/dbraw/zinc/45/12/57/1311451257.db2.gz BQCVVZJHMPVSRD-CRAIPNDOSA-N 1 0 330.472 2.988 20 10 EFCDRO COc1ccc(N2CC3(C2)CC[N@H+](Cc2cc(C)nn2C)C3)cc1F ZINC001277008969 1311454540 /nfs/dbraw/zinc/45/45/40/1311454540.db2.gz COELMGDZKCDTHT-UHFFFAOYSA-N 1 0 344.434 2.589 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cc3occc3[nH]2)cc1C ZINC001159137045 1311457999 /nfs/dbraw/zinc/45/79/99/1311457999.db2.gz KFIFJBOKBLNXRC-UHFFFAOYSA-N 1 0 341.411 2.988 20 10 EFCDRO CC[C@H]1CC[C@H](C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)O1 ZINC001159178273 1311467693 /nfs/dbraw/zinc/46/76/93/1311467693.db2.gz CIXZOLGJMYOXJU-FUHWJXTLSA-N 1 0 334.460 2.557 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@H]2C)cc1C ZINC001048146967 1311509580 /nfs/dbraw/zinc/50/95/80/1311509580.db2.gz YGNWLTODCLQHGO-NVXWUHKLSA-N 1 0 341.455 2.830 20 10 EFCDRO CC[C@@H]1OCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001159626584 1311554474 /nfs/dbraw/zinc/55/44/74/1311554474.db2.gz AZGZTOOXLNYKCN-MSOLQXFVSA-N 1 0 348.487 2.805 20 10 EFCDRO COC[C@@H](C)[C@H](C)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001159657331 1311559877 /nfs/dbraw/zinc/55/98/77/1311559877.db2.gz BESGJNFVYVJEBQ-CVEARBPZSA-N 1 0 336.476 2.518 20 10 EFCDRO CC(C)[NH+]1CCC(NC(=O)COc2ccc(N3CCCC3)cc2)CC1 ZINC000902283389 1311604694 /nfs/dbraw/zinc/60/46/94/1311604694.db2.gz LGHAMDOKWJQRMN-UHFFFAOYSA-N 1 0 345.487 2.655 20 10 EFCDRO Oc1cc2ccccc2cc1CNc1ccc(N2CC[NH2+]CC2)cn1 ZINC001160206920 1311664788 /nfs/dbraw/zinc/66/47/88/1311664788.db2.gz PNOZTEONCHRUCF-UHFFFAOYSA-N 1 0 334.423 2.962 20 10 EFCDRO [NH3+]C1CCN(c2ccnc(NCc3cc4ccccc4cc3O)n2)CC1 ZINC001160207993 1311664945 /nfs/dbraw/zinc/66/49/45/1311664945.db2.gz ZZPNPWSJQPSFHZ-UHFFFAOYSA-N 1 0 349.438 2.875 20 10 EFCDRO CCOc1ccc(N2CC[NH+](Cc3ccc(CO)cc3)CC2)cc1 ZINC001203194694 1311692758 /nfs/dbraw/zinc/69/27/58/1311692758.db2.gz VSOQGTQKOXAAEL-UHFFFAOYSA-N 1 0 326.440 2.900 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3(CF)CC3)C[C@@H]2C)cc1C ZINC001048378020 1311724418 /nfs/dbraw/zinc/72/44/18/1311724418.db2.gz GLSPDTUIUSRHOO-DOTOQJQBSA-N 1 0 348.462 2.937 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C3(CF)CC3)C[C@H]2C)cc1C ZINC001048378024 1311724449 /nfs/dbraw/zinc/72/44/49/1311724449.db2.gz GLSPDTUIUSRHOO-WBVHZDCISA-N 1 0 348.462 2.937 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2onc(C)c2C)cc1C ZINC001160626251 1311748337 /nfs/dbraw/zinc/74/83/37/1311748337.db2.gz KOOQRLKTXBYTRS-UHFFFAOYSA-N 1 0 331.416 2.518 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC2(F)F)cc1C ZINC001160691125 1311761320 /nfs/dbraw/zinc/76/13/20/1311761320.db2.gz OHMXSIJDHPRZOB-CQSZACIVSA-N 1 0 326.387 2.645 20 10 EFCDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)[C@H]1c1ccccc1 ZINC001277192024 1311780952 /nfs/dbraw/zinc/78/09/52/1311780952.db2.gz JMQXWBFYBQMNET-MJGOQNOKSA-N 1 0 340.423 2.749 20 10 EFCDRO C[C@H](NC[C@H]1CCCCC[NH2+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000902483501 1311784207 /nfs/dbraw/zinc/78/42/07/1311784207.db2.gz QXFVVGCLMCTVCG-DOTOQJQBSA-N 1 0 335.467 2.845 20 10 EFCDRO CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001277211188 1311809348 /nfs/dbraw/zinc/80/93/48/1311809348.db2.gz FMYNNHXFHBZRFB-OPVJXMOQSA-N 1 0 341.499 2.833 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cnccc1N ZINC000902518967 1311828139 /nfs/dbraw/zinc/82/81/39/1311828139.db2.gz VGLLOFVQTSTLNN-LIRRHRJNSA-N 1 0 327.476 2.514 20 10 EFCDRO CC[N@@H+]1CC[C@@H](Oc2c(O)c(O)ccc2C(=O)c2ccccc2)C1 ZINC001227937104 1311876130 /nfs/dbraw/zinc/87/61/30/1311876130.db2.gz BHJDEZYDDUWMBQ-CQSZACIVSA-N 1 0 327.380 2.802 20 10 EFCDRO CN1CCCc2cc(C[N@@H+]3C[C@H]4C[C@@]4(C(=O)NC(C)(C)C)C3)ccc21 ZINC001277254719 1311876405 /nfs/dbraw/zinc/87/64/05/1311876405.db2.gz ZIDVACKOAYJSKN-DYESRHJHSA-N 1 0 341.499 2.806 20 10 EFCDRO Cc1cccc(C[NH2+][C@@H](C)CCNS(=O)(=O)c2ccccc2)c1O ZINC000802660659 1311895651 /nfs/dbraw/zinc/89/56/51/1311895651.db2.gz SHJIGUDREKVPIE-HNNXBMFYSA-N 1 0 348.468 2.547 20 10 EFCDRO CC(=O)N1CCN(c2ccc(O[C@@H]3CCC[N@@H+](C(C)C)C3)cc2)CC1 ZINC001228202938 1311914412 /nfs/dbraw/zinc/91/44/12/1311914412.db2.gz XPPYYAQSVBVREV-HXUWFJFHSA-N 1 0 345.487 2.607 20 10 EFCDRO CNc1ccccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000902622083 1311949933 /nfs/dbraw/zinc/94/99/33/1311949933.db2.gz XMFLEHXKMSYLSB-UHFFFAOYSA-N 1 0 325.456 2.979 20 10 EFCDRO CC[N@H+]1CC=C(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001161972519 1312017564 /nfs/dbraw/zinc/01/75/64/1312017564.db2.gz DWJRGRIQHFQZFV-UHFFFAOYSA-N 1 0 329.404 2.621 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NCCC2=CC[N@H+](CCF)CC2)cc1 ZINC001161972563 1312017843 /nfs/dbraw/zinc/01/78/43/1312017843.db2.gz GBLRFLSZVKCGBL-UHFFFAOYSA-N 1 0 347.394 2.571 20 10 EFCDRO Cn1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c2ccccc21 ZINC000902689181 1312021399 /nfs/dbraw/zinc/02/13/99/1312021399.db2.gz AJCGRDXFSKRFKW-UHFFFAOYSA-N 1 0 335.455 2.937 20 10 EFCDRO COc1ccc2c(c1O[C@H](C)C[NH+](C)C)C(=O)c1ccccc1C2=O ZINC001229242640 1312066465 /nfs/dbraw/zinc/06/64/65/1312066465.db2.gz LKZPRCDIGJCGTG-GFCCVEGCSA-N 1 0 339.391 2.800 20 10 EFCDRO CN1CCO[C@H]2C[N@H+](Cc3cc(Cl)c(C(C)(C)C)cc3O)C[C@@H]21 ZINC001277409240 1312122944 /nfs/dbraw/zinc/12/29/44/1312122944.db2.gz JBCGVPQWAMLYBX-RDJZCZTQSA-N 1 0 338.879 2.858 20 10 EFCDRO CCc1cncc(C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001162610961 1312135329 /nfs/dbraw/zinc/13/53/29/1312135329.db2.gz AXZLJQVDWBYBNS-UHFFFAOYSA-N 1 0 341.455 2.871 20 10 EFCDRO O=C(NC1CCC(F)CC1)C12CC([NH2+]Cc3ccccc3O)(C1)C2 ZINC001277441772 1312176922 /nfs/dbraw/zinc/17/69/22/1312176922.db2.gz OWVIFNIKAFWYMG-UHFFFAOYSA-N 1 0 332.419 2.801 20 10 EFCDRO O=C(Nc1cn[nH]c1)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001277442778 1312179823 /nfs/dbraw/zinc/17/98/23/1312179823.db2.gz ZSIDHFGXXGEWJQ-LPHOPBHVSA-N 1 0 340.427 2.746 20 10 EFCDRO [NH3+][C@H]1Cc2ccccc2N(c2ccc3c(c2)C2(CCOCC2)C(=O)N3)C1 ZINC001162853319 1312190091 /nfs/dbraw/zinc/19/00/91/1312190091.db2.gz HHPJPIJHCICYDT-HNNXBMFYSA-N 1 0 349.434 2.708 20 10 EFCDRO CN(C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccccc1O)C1CC(F)(F)C1 ZINC001277447004 1312194577 /nfs/dbraw/zinc/19/45/77/1312194577.db2.gz YBZFNGYYGGLWPK-SCLBCKFNSA-N 1 0 336.382 2.613 20 10 EFCDRO CCN(C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccc(OC)cc1O)C(C)C ZINC001277457514 1312248770 /nfs/dbraw/zinc/24/87/70/1312248770.db2.gz OVQMGHQBRAUYEJ-BEFAXECRSA-N 1 0 332.444 2.622 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CCCC23CC3)c1 ZINC001277461903 1312305690 /nfs/dbraw/zinc/30/56/90/1312305690.db2.gz CLHIGDWHXCVLGS-QRWLVFNGSA-N 1 0 342.439 2.520 20 10 EFCDRO CCN(C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(OC)ccc1O)C(C)C ZINC001277462850 1312311981 /nfs/dbraw/zinc/31/19/81/1312311981.db2.gz ZENKMRJUSNJEDS-BEFAXECRSA-N 1 0 332.444 2.622 20 10 EFCDRO COCCCC(=O)NCCC1(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001163593197 1312343254 /nfs/dbraw/zinc/34/32/54/1312343254.db2.gz LEIVYXZNMYJPJS-UHFFFAOYSA-N 1 0 348.487 2.806 20 10 EFCDRO O=C([C@H]1CC12CC[NH+](Cc1c([O-])cccc1F)CC2)N1CCCCO1 ZINC001277491194 1312443425 /nfs/dbraw/zinc/44/34/25/1312443425.db2.gz FISZVNBRFSMAHT-OAHLLOKOSA-N 1 0 348.418 2.687 20 10 EFCDRO C[C@H]([NH2+]CCN1CCCOCC1)c1cc(Br)ccc1O ZINC000903226491 1312480041 /nfs/dbraw/zinc/48/00/41/1312480041.db2.gz GCSOGIPBWPTLJW-LBPRGKRZSA-N 1 0 343.265 2.528 20 10 EFCDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000903234842 1312484841 /nfs/dbraw/zinc/48/48/41/1312484841.db2.gz QBFBEZGVVPDOIY-AWEZNQCLSA-N 1 0 348.468 2.850 20 10 EFCDRO CCC[C@@H](OCC)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001164305604 1312489311 /nfs/dbraw/zinc/48/93/11/1312489311.db2.gz BHJXTHNAEBLIJM-GOSISDBHSA-N 1 0 336.476 2.805 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CCCONC(=O)OC(C)(C)C)c1O ZINC000903240409 1312492443 /nfs/dbraw/zinc/49/24/43/1312492443.db2.gz XMRALTUAPNALRN-LBPRGKRZSA-N 1 0 340.420 2.898 20 10 EFCDRO O=C([O-])c1ccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)c(O)c1 ZINC001231448791 1312500078 /nfs/dbraw/zinc/50/00/78/1312500078.db2.gz CBHDUOXVDHPGJS-UHFFFAOYSA-N 1 0 344.455 2.931 20 10 EFCDRO COc1ccc(Br)c(CN2CCC[C@@H]([NH+](C)C)C2)c1O ZINC001231552262 1312524538 /nfs/dbraw/zinc/52/45/38/1312524538.db2.gz CBSCNEYZOHOUBL-LLVKDONJSA-N 1 0 343.265 2.689 20 10 EFCDRO COc1ccc(Br)c(C[NH+]2CC3(C2)CCOCC3)c1O ZINC001231552904 1312524258 /nfs/dbraw/zinc/52/42/58/1312524258.db2.gz MOGAOSPUGSDDNH-UHFFFAOYSA-N 1 0 342.233 2.776 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(CCC[C@@H]3C(N)=O)C2)c(O)c1 ZINC001277533340 1312525885 /nfs/dbraw/zinc/52/58/85/1312525885.db2.gz FWYBLEFJJDUBOD-XLIONFOSSA-N 1 0 345.487 2.716 20 10 EFCDRO C[C@H]1CN(C2C[NH+](Cc3c(O)ccc4ccccc43)C2)C[C@H](C)O1 ZINC001231589777 1312528584 /nfs/dbraw/zinc/52/85/84/1312528584.db2.gz QIVYYNPOSXGLLF-GJZGRUSLSA-N 1 0 326.440 2.839 20 10 EFCDRO COC(=O)CC[C@@H]1COCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231589994 1312528657 /nfs/dbraw/zinc/52/86/57/1312528657.db2.gz XNDYNOWNPVONBZ-OAHLLOKOSA-N 1 0 329.396 2.699 20 10 EFCDRO Cc1cccc(C[N@@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)c1O ZINC001231591326 1312529040 /nfs/dbraw/zinc/52/90/40/1312529040.db2.gz AEWJLZKWANTBLH-UWVAXJGDSA-N 1 0 340.423 2.906 20 10 EFCDRO COC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(OC)c(O)cc1O ZINC001231635309 1312535892 /nfs/dbraw/zinc/53/58/92/1312535892.db2.gz GFVSQKLFSAOKMO-UHFFFAOYSA-N 1 0 345.395 2.672 20 10 EFCDRO COc1cc(C[N@@H+](Cc2ccccc2)CC(OC)OC)c(O)cc1O ZINC001231634264 1312536068 /nfs/dbraw/zinc/53/60/68/1312536068.db2.gz KHMIDVFMHICLFY-UHFFFAOYSA-N 1 0 347.411 2.728 20 10 EFCDRO COc1cc(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)c(O)cc1O ZINC001231635407 1312536096 /nfs/dbraw/zinc/53/60/96/1312536096.db2.gz YGGGFRMMHWZDPP-UHFFFAOYSA-N 1 0 343.423 2.898 20 10 EFCDRO COc1cc(C[NH+]2CCC3(CCn4c(C)cnc43)CC2)c(O)cc1O ZINC001231634155 1312536135 /nfs/dbraw/zinc/53/61/35/1312536135.db2.gz CQONZSWGIROSRM-UHFFFAOYSA-N 1 0 343.427 2.549 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c(O)cc1O ZINC001231636349 1312536885 /nfs/dbraw/zinc/53/68/85/1312536885.db2.gz SWBHNNDFOWKSTK-OAHLLOKOSA-N 1 0 333.359 2.899 20 10 EFCDRO COc1ccc(C[N@H+](C)Cc2cc(OC)c(O)cc2O)c(OC)c1 ZINC001231637115 1312537109 /nfs/dbraw/zinc/53/71/09/1312537109.db2.gz DSMDRTGXMOMHFQ-UHFFFAOYSA-N 1 0 333.384 2.756 20 10 EFCDRO COc1cc(C[NH+]2CCC(Oc3cc(C)ccn3)CC2)c(O)cc1O ZINC001231639869 1312537488 /nfs/dbraw/zinc/53/74/88/1312537488.db2.gz MOAOSDIZZJILDC-UHFFFAOYSA-N 1 0 344.411 2.853 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H](C(=O)c3ccccc3)C2)c(O)cc1O ZINC001231639015 1312537755 /nfs/dbraw/zinc/53/77/55/1312537755.db2.gz CUDHWXMBVIASBK-AWEZNQCLSA-N 1 0 327.380 2.811 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3cccc(C)n3)C2)c(O)cc1O ZINC001231639852 1312537908 /nfs/dbraw/zinc/53/79/08/1312537908.db2.gz MBNZOGNWVWKJFJ-HNNXBMFYSA-N 1 0 344.411 2.853 20 10 EFCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2cc(OC)c(O)cc2O)C[C@@H]1C ZINC001231640910 1312538876 /nfs/dbraw/zinc/53/88/76/1312538876.db2.gz WGUBAOGQSWHDDK-QWHCGFSZSA-N 1 0 337.416 2.518 20 10 EFCDRO Cc1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N2CCCCO2)c(O)c1 ZINC001277567858 1312567498 /nfs/dbraw/zinc/56/74/98/1312567498.db2.gz QJKLWHBTALGPKU-LVFSCSRESA-N 1 0 344.455 2.759 20 10 EFCDRO Cc1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NCC(F)F)c(O)c1 ZINC001277569392 1312568440 /nfs/dbraw/zinc/56/84/40/1312568440.db2.gz YAYGLFBSEVSYPA-FCLUMBPUSA-N 1 0 338.398 2.586 20 10 EFCDRO Cc1cc(C)c(C[N@@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)c(O)c1 ZINC001231844423 1312573112 /nfs/dbraw/zinc/57/31/12/1312573112.db2.gz ICFXDCHCIBKGBG-IAGOWNOFSA-N 1 0 338.455 2.757 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001231847720 1312573154 /nfs/dbraw/zinc/57/31/54/1312573154.db2.gz BWJKKYAMFHSWSP-HUUCEWRRSA-N 1 0 346.393 2.896 20 10 EFCDRO CCOC[C@H]1Cn2nccc2C[N@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231844840 1312573510 /nfs/dbraw/zinc/57/35/10/1312573510.db2.gz OFFFQJUCDIYURO-MRXNPFEDSA-N 1 0 329.444 2.874 20 10 EFCDRO COc1cc(C)nc(O[C@H]2CC[N@H+](Cc3c(C)cc(C)cc3O)C2)n1 ZINC001231850161 1312574022 /nfs/dbraw/zinc/57/40/22/1312574022.db2.gz KZIVUAAQMJDGOZ-HNNXBMFYSA-N 1 0 343.427 2.769 20 10 EFCDRO CCCNC(=O)COC1CC[NH+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231848414 1312574077 /nfs/dbraw/zinc/57/40/77/1312574077.db2.gz HULKXIDJTOMIAG-UHFFFAOYSA-N 1 0 334.460 2.516 20 10 EFCDRO COc1ccnc(N2CC[NH+](Cc3c(C)cc(C)cc3O)CC2)c1 ZINC001231848376 1312574264 /nfs/dbraw/zinc/57/42/64/1312574264.db2.gz HJLGWDLKFLPIMV-UHFFFAOYSA-N 1 0 327.428 2.735 20 10 EFCDRO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231848607 1312574420 /nfs/dbraw/zinc/57/44/20/1312574420.db2.gz IPQGWFZIVIBUKG-KRWDZBQOSA-N 1 0 347.503 2.842 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC001231853284 1312574795 /nfs/dbraw/zinc/57/47/95/1312574795.db2.gz HZJDCXFRECWIMW-SFHVURJKSA-N 1 0 345.487 2.738 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](c2nnc(C)o2)C1 ZINC001231855018 1312575043 /nfs/dbraw/zinc/57/50/43/1312575043.db2.gz OKRQINITJULBOG-OAHLLOKOSA-N 1 0 330.432 2.832 20 10 EFCDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(N(C)C)cc1OC)C2 ZINC001231854690 1312575248 /nfs/dbraw/zinc/57/52/48/1312575248.db2.gz KQEPQZACVSXYQE-QRTARXTBSA-N 1 0 332.444 2.535 20 10 EFCDRO CCC[N@H+](Cc1ccc(N(C)C)cc1OC)C1CCN(C(C)=O)CC1 ZINC001231855618 1312576134 /nfs/dbraw/zinc/57/61/34/1312576134.db2.gz XEHXVJBVLWMFMP-UHFFFAOYSA-N 1 0 347.503 2.984 20 10 EFCDRO CCC(=O)N(CC)C1CC[NH+](Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231857339 1312576162 /nfs/dbraw/zinc/57/61/62/1312576162.db2.gz HLZMFVKSJZHIPS-UHFFFAOYSA-N 1 0 347.503 2.984 20 10 EFCDRO Cc1cc(O)c(C[NH+]2CCC3(CC(N(C)C)=NO3)CC2)cc1Cl ZINC001231869620 1312578039 /nfs/dbraw/zinc/57/80/39/1312578039.db2.gz SULWTQRHQLMLPK-UHFFFAOYSA-N 1 0 337.851 2.984 20 10 EFCDRO CC[NH+](CC)CCN1CCN(Cc2cc(Cl)c(C)cc2O)CC1 ZINC001231869670 1312578079 /nfs/dbraw/zinc/57/80/79/1312578079.db2.gz VPJNLIDUPQBJLG-UHFFFAOYSA-N 1 0 339.911 2.813 20 10 EFCDRO CC1=NC2(CC[NH+](Cc3cc(Cl)c(C)cc3O)CC2)C(=O)N1C ZINC001231871976 1312578110 /nfs/dbraw/zinc/57/81/10/1312578110.db2.gz SZTRTAGFWNHWHM-UHFFFAOYSA-N 1 0 335.835 2.579 20 10 EFCDRO CN(C)C(=O)NC1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC001231884206 1312580510 /nfs/dbraw/zinc/58/05/10/1312580510.db2.gz YZXLYGJRNYUZAS-UHFFFAOYSA-N 1 0 327.428 2.781 20 10 EFCDRO CC[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ccc(C)cc1O ZINC000903372597 1312607737 /nfs/dbraw/zinc/60/77/37/1312607737.db2.gz LHNPMVBRHNHTKS-INIZCTEOSA-N 1 0 335.444 2.790 20 10 EFCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(O)CCC3(CC2)OCCO3)cc1 ZINC000903375103 1312610458 /nfs/dbraw/zinc/61/04/58/1312610458.db2.gz QSVHVLKWBDINDH-INIZCTEOSA-N 1 0 348.487 2.842 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@@H](OC)C2)cc1C ZINC001165426733 1312628027 /nfs/dbraw/zinc/62/80/27/1312628027.db2.gz ZKIDFNIRWBDVLP-QZTJIDSGSA-N 1 0 348.487 2.805 20 10 EFCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@@H]1O ZINC001232195188 1312645892 /nfs/dbraw/zinc/64/58/92/1312645892.db2.gz RIRPGZZGIAADPC-KDOFPFPSSA-N 1 0 338.879 2.769 20 10 EFCDRO CCN(CC[NH+](C)C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232198270 1312646926 /nfs/dbraw/zinc/64/69/26/1312646926.db2.gz OEBLEDUCMMQQLZ-UHFFFAOYSA-N 1 0 325.884 2.560 20 10 EFCDRO Clc1cc(C[N@@H+]2CCCC3(COC3)C2)ccc1N1CCOCC1 ZINC001232195458 1312647187 /nfs/dbraw/zinc/64/71/87/1312647187.db2.gz VEYRTWKVLIUVLF-UHFFFAOYSA-N 1 0 336.863 2.789 20 10 EFCDRO Clc1cc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)ccc1N1CCOCC1 ZINC001232199456 1312647408 /nfs/dbraw/zinc/64/74/08/1312647408.db2.gz IDPAAMXCHAEEEH-DJDHSFSDSA-N 1 0 348.874 2.786 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CCC[C@@H]1O ZINC001232195850 1312647437 /nfs/dbraw/zinc/64/74/37/1312647437.db2.gz ZMZGPVUHOLBCQD-KDOFPFPSSA-N 1 0 338.879 2.769 20 10 EFCDRO Clc1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)ccc1N1CCOCC1 ZINC001232203248 1312648554 /nfs/dbraw/zinc/64/85/54/1312648554.db2.gz QYOJWWOOURAXLA-KRWDZBQOSA-N 1 0 349.906 2.847 20 10 EFCDRO CC[C@H]1[N@H+](Cc2cc(Cl)c(O)cc2O)CCC[C@]12CCC(=O)N2 ZINC001232259772 1312659844 /nfs/dbraw/zinc/65/98/44/1312659844.db2.gz JCNZGEOXGWCQGO-WBVHZDCISA-N 1 0 338.835 2.774 20 10 EFCDRO CCC(=O)N(CC)C1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232263391 1312660742 /nfs/dbraw/zinc/66/07/42/1312660742.db2.gz PHCJNAKTEPAFNS-UHFFFAOYSA-N 1 0 340.851 2.974 20 10 EFCDRO CCOC(=O)[C@H]1CCCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232262913 1312661235 /nfs/dbraw/zinc/66/12/35/1312661235.db2.gz VVIOBZBRHZJWKR-NSHDSACASA-N 1 0 327.808 2.916 20 10 EFCDRO Cc1nccnc1O[C@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232264567 1312661560 /nfs/dbraw/zinc/66/15/60/1312661560.db2.gz JCNUKLXYHGZTBG-ZDUSSCGKSA-N 1 0 349.818 2.893 20 10 EFCDRO CCC(=O)N(C)C1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232263835 1312661639 /nfs/dbraw/zinc/66/16/39/1312661639.db2.gz WRWFGDMBYGQXRD-UHFFFAOYSA-N 1 0 326.824 2.584 20 10 EFCDRO Cc1cc(O[C@H]2CCC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)ncn1 ZINC001232264976 1312661698 /nfs/dbraw/zinc/66/16/98/1312661698.db2.gz MIZWEKVCPSTNRF-ZDUSSCGKSA-N 1 0 349.818 2.893 20 10 EFCDRO Cc1cnc(OC2CC[NH+](Cc3cc(Cl)c(O)cc3O)CC2)nc1 ZINC001232263903 1312661704 /nfs/dbraw/zinc/66/17/04/1312661704.db2.gz FGWPEYWQFGQMFN-UHFFFAOYSA-N 1 0 349.818 2.893 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2CCCN(c3cccnc3)CC2)cc1Cl ZINC001232263989 1312662065 /nfs/dbraw/zinc/66/20/65/1312662065.db2.gz XTIHUFUEYLQYRN-UHFFFAOYSA-N 1 0 333.819 2.859 20 10 EFCDRO Cc1cc(N2CCN(Cc3cc(Cl)c(O)cc3O)CC2)cc[nH+]1 ZINC001232266471 1312662372 /nfs/dbraw/zinc/66/23/72/1312662372.db2.gz UIMSMIZSRYVJMF-UHFFFAOYSA-N 1 0 333.819 2.777 20 10 EFCDRO O=C(NC1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1)C1CCC1 ZINC001232267567 1312662660 /nfs/dbraw/zinc/66/26/60/1312662660.db2.gz JPXOFGNMPGZWDD-UHFFFAOYSA-N 1 0 338.835 2.632 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(N3CCCC3=O)CC2)cc1Cl ZINC001232268445 1312662711 /nfs/dbraw/zinc/66/27/11/1312662711.db2.gz NYCCOTLNTIJTTP-UHFFFAOYSA-N 1 0 338.835 2.641 20 10 EFCDRO CCOC(=O)C1CC[NH+](Cc2cc(Cl)c(OC)cc2O)CC1 ZINC001232267869 1312662718 /nfs/dbraw/zinc/66/27/18/1312662718.db2.gz JXKMDZMYXQDWLE-UHFFFAOYSA-N 1 0 327.808 2.829 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(Oc3cnccn3)CC2)cc1Cl ZINC001232268362 1312663058 /nfs/dbraw/zinc/66/30/58/1312663058.db2.gz MSFUDQBTYDVYNT-UHFFFAOYSA-N 1 0 349.818 2.888 20 10 EFCDRO COc1cc(O)c(CN2CC([NH+]3CCC(F)CC3)C2)cc1Cl ZINC001232269452 1312663142 /nfs/dbraw/zinc/66/31/42/1312663142.db2.gz AXYJQXOZWGRGMR-UHFFFAOYSA-N 1 0 328.815 2.672 20 10 EFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2O)CC1 ZINC001232271158 1312663500 /nfs/dbraw/zinc/66/35/00/1312663500.db2.gz OJIJEDAIHHIWGJ-LLVKDONJSA-N 1 0 327.808 2.829 20 10 EFCDRO CCOC(=O)NC1CC[NH+](Cc2cc(Cl)c(OC)cc2O)CC1 ZINC001232271665 1312663659 /nfs/dbraw/zinc/66/36/59/1312663659.db2.gz ZLVAMHQRWRDITC-UHFFFAOYSA-N 1 0 342.823 2.765 20 10 EFCDRO COCC[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001211170301 1314445387 /nfs/dbraw/zinc/44/53/87/1314445387.db2.gz WXELOIJRGLVRHK-CRAIPNDOSA-N 1 0 348.487 2.757 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCCF)CC2)cc1 ZINC001052963890 1314523240 /nfs/dbraw/zinc/52/32/40/1314523240.db2.gz ABTMNNUPQYWRSF-CQSZACIVSA-N 1 0 349.410 2.793 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(C)n3C)C2)cc1C ZINC001019987106 1314558067 /nfs/dbraw/zinc/55/80/67/1314558067.db2.gz MKSCLWNWQPPJTO-QAQDUYKDSA-N 1 0 341.455 2.701 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc[nH]c3C)C2)cc1C ZINC001020060437 1314594540 /nfs/dbraw/zinc/59/45/40/1314594540.db2.gz VOXSVEMQXAUXAW-WKILWMFISA-N 1 0 327.428 2.691 20 10 EFCDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc2ccccc2c1O ZINC001276374228 1314596329 /nfs/dbraw/zinc/59/63/29/1314596329.db2.gz SKADMUZNEUIGBG-PMACEKPBSA-N 1 0 339.483 2.756 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C)n3cccc3)C2)cc1C ZINC001020081577 1314603786 /nfs/dbraw/zinc/60/37/86/1314603786.db2.gz JTWCGZKLMPJRBV-KBAYOESNSA-N 1 0 341.455 2.803 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3csnc3C)C2)cc1C ZINC001020090196 1314605923 /nfs/dbraw/zinc/60/59/23/1314605923.db2.gz BLRJZOIAKTVEBQ-SHTZXODSSA-N 1 0 345.468 2.819 20 10 EFCDRO CCc1nc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)co1 ZINC001020094796 1314608701 /nfs/dbraw/zinc/60/87/01/1314608701.db2.gz YJHJTFMEIIZQDF-SHTZXODSSA-N 1 0 343.427 2.605 20 10 EFCDRO C[C@@H]1C[C@@H](N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)CC[NH2+]1 ZINC001246343866 1314613472 /nfs/dbraw/zinc/61/34/72/1314613472.db2.gz SOEAZJTYFIWTBT-RYMBOPBQSA-N 1 0 341.455 2.569 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCO[C@@H]3C)C2)cc1C ZINC001020109614 1314614412 /nfs/dbraw/zinc/61/44/12/1314614412.db2.gz WBFGCMWRNOMUMH-DDBAPUKQSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(F)F)C2)cc1C ZINC001020122641 1314619883 /nfs/dbraw/zinc/61/98/83/1314619883.db2.gz QSSZCTQWVRQPNO-AJNGGQMLSA-N 1 0 338.398 2.642 20 10 EFCDRO CCc1[nH]ccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001020125125 1314621732 /nfs/dbraw/zinc/62/17/32/1314621732.db2.gz ARRXHCASGZPDOW-WKILWMFISA-N 1 0 341.455 2.945 20 10 EFCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CN1 ZINC001246522418 1314641229 /nfs/dbraw/zinc/64/12/29/1314641229.db2.gz CMOYYURMOPYNCK-QIIPPGSGSA-N 1 0 346.471 2.516 20 10 EFCDRO CCOc1ccc(N2CCN([C@H]3CC[NH2+][C@H](C(C)C)C3)CC2)cc1 ZINC001246948774 1314713006 /nfs/dbraw/zinc/71/30/06/1314713006.db2.gz LQYCXTOPWLQQJO-ICSRJNTNSA-N 1 0 331.504 2.984 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[C@@H](OC)C3)C2)cc1C ZINC001020323900 1314733056 /nfs/dbraw/zinc/73/30/56/1314733056.db2.gz RXBVPIMLWLVHEH-BRSBDYLESA-N 1 0 346.471 2.556 20 10 EFCDRO C[NH+](C)Cc1ccc(-c2noc(-c3ccc(O)c(O)c3O)n2)cc1 ZINC001215325400 1314815396 /nfs/dbraw/zinc/81/53/96/1314815396.db2.gz QSRFJGMOUGKMNS-UHFFFAOYSA-N 1 0 327.340 2.582 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(CN[C@@H]3CC[NH2+]C3)n2)cc1 ZINC001247701799 1314825514 /nfs/dbraw/zinc/82/55/14/1314825514.db2.gz WMJIERMOYUNKLE-MRXNPFEDSA-N 1 0 337.427 2.596 20 10 EFCDRO C[NH+]1CCN(c2ccccc2-c2noc(Cc3ccc(N)cc3)n2)CC1 ZINC001248182949 1314900725 /nfs/dbraw/zinc/90/07/25/1314900725.db2.gz ACPLWOLKBLLJBV-UHFFFAOYSA-N 1 0 349.438 2.661 20 10 EFCDRO COc1cc(I)cc(C[N@@H+]2CCC[C@H]2C)c1O ZINC001248386533 1314930445 /nfs/dbraw/zinc/93/04/45/1314930445.db2.gz NGOLLUVPSHTRQK-SECBINFHSA-N 1 0 347.196 2.990 20 10 EFCDRO COc1cc(I)cc(C[N@@H+]2CC[C@H](C)C2)c1O ZINC001248391279 1314931147 /nfs/dbraw/zinc/93/11/47/1314931147.db2.gz PSKAGVWOJPPMQW-VIFPVBQESA-N 1 0 347.196 2.847 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)C(C)C)cc1I ZINC001248458198 1314936189 /nfs/dbraw/zinc/93/61/89/1314936189.db2.gz CNODRURZSBJCAZ-UHFFFAOYSA-N 1 0 335.185 2.846 20 10 EFCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)cc1Cl ZINC001248879771 1314990212 /nfs/dbraw/zinc/99/02/12/1314990212.db2.gz DBEQGABTOHSCTA-SJLPKXTDSA-N 1 0 341.879 2.908 20 10 EFCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cc1Cl ZINC001248880534 1314991279 /nfs/dbraw/zinc/99/12/79/1314991279.db2.gz KYDHYHVHPVDAMM-DOMZBBRYSA-N 1 0 327.852 2.518 20 10 EFCDRO CN1CCO[C@H]2C[N@H+](Cc3cc(Cl)c(C(C)(C)C)cc3O)C[C@H]21 ZINC001248882427 1314992466 /nfs/dbraw/zinc/99/24/66/1314992466.db2.gz JBCGVPQWAMLYBX-WBVHZDCISA-N 1 0 338.879 2.858 20 10 EFCDRO C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001216899306 1315020701 /nfs/dbraw/zinc/02/07/01/1315020701.db2.gz YHPDAUJEVNRQAM-LALPHHSUSA-N 1 0 349.410 2.647 20 10 EFCDRO COC(=O)Cc1ccc(C[NH+]2CCC(OC3CCC3)CC2)c(O)c1 ZINC001249177610 1315029642 /nfs/dbraw/zinc/02/96/42/1315029642.db2.gz FXQASNAHTAIIGE-UHFFFAOYSA-N 1 0 333.428 2.641 20 10 EFCDRO COC(=O)Cc1ccc(C[N@H+](C)Cc2ccc(OC)cc2)c(O)c1 ZINC001249178015 1315030283 /nfs/dbraw/zinc/03/02/83/1315030283.db2.gz NKVBCBOQLWDNKI-UHFFFAOYSA-N 1 0 329.396 2.748 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccccn2)c(O)c1 ZINC001249201457 1315032547 /nfs/dbraw/zinc/03/25/47/1315032547.db2.gz SSKMZJYCHXUFJL-SFHVURJKSA-N 1 0 340.423 2.710 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCOc3ccccc3C2)c(O)c1 ZINC001249201382 1315032952 /nfs/dbraw/zinc/03/29/52/1315032952.db2.gz QQCVUNDEABGPNN-UHFFFAOYSA-N 1 0 327.380 2.502 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001249201582 1315033023 /nfs/dbraw/zinc/03/30/23/1315033023.db2.gz ZEAMOIAFNHOFOW-CYBMUJFWSA-N 1 0 331.334 2.882 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c(O)c1 ZINC001249201413 1315033074 /nfs/dbraw/zinc/03/30/74/1315033074.db2.gz RYHFMBMZHYASPL-MRXNPFEDSA-N 1 0 340.423 2.882 20 10 EFCDRO COC(=O)Cc1ccc(C[NH+]2CCC3(CCC(=O)CC3)CC2)c(O)c1 ZINC001249215277 1315033921 /nfs/dbraw/zinc/03/39/21/1315033921.db2.gz ZBQDHSLFDOBFLY-UHFFFAOYSA-N 1 0 345.439 2.833 20 10 EFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249223635 1315034530 /nfs/dbraw/zinc/03/45/30/1315034530.db2.gz KKWQIWKLVZLHLZ-CQSZACIVSA-N 1 0 331.412 2.961 20 10 EFCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCCC4(C3)OCCO4)ccc2O1 ZINC001249252199 1315039507 /nfs/dbraw/zinc/03/95/07/1315039507.db2.gz IQTRSJJTPBQGRY-UHFFFAOYSA-N 1 0 331.412 2.915 20 10 EFCDRO CC1(C)C=Cc2c(O)c(C[NH+]3CCC4(CNC(=O)O4)CC3)ccc2O1 ZINC001249252105 1315040012 /nfs/dbraw/zinc/04/00/12/1315040012.db2.gz GBEAJGWDHRWEDI-UHFFFAOYSA-N 1 0 344.411 2.651 20 10 EFCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCOC4(CCOCC4)C3)ccc2O1 ZINC001249252794 1315040129 /nfs/dbraw/zinc/04/01/29/1315040129.db2.gz VHNBEHBPVGRTKM-UHFFFAOYSA-N 1 0 345.439 2.958 20 10 EFCDRO CC1(C)C=Cc2c(O)c(C[NH+]3CCC4(CCC(=O)N4)CC3)ccc2O1 ZINC001249259431 1315040487 /nfs/dbraw/zinc/04/04/87/1315040487.db2.gz YJEWBYFLVQIDAY-UHFFFAOYSA-N 1 0 342.439 2.821 20 10 EFCDRO Cn1ncc2c1CC[N@H+](Cc1ccc3c(c1O)C=CC(C)(C)O3)C2 ZINC001249258756 1315040935 /nfs/dbraw/zinc/04/09/35/1315040935.db2.gz MIKSCLIQKCGMOE-UHFFFAOYSA-N 1 0 325.412 2.868 20 10 EFCDRO COc1cccc(-c2noc(C[C@@H]([NH3+])c3ccccc3O)n2)c1F ZINC001249339455 1315056047 /nfs/dbraw/zinc/05/60/47/1315056047.db2.gz KTQPSMKCGKDSOT-GFCCVEGCSA-N 1 0 329.331 2.832 20 10 EFCDRO Cn1cnc(C[C@H](N)c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1 ZINC001217694220 1315102294 /nfs/dbraw/zinc/10/22/94/1315102294.db2.gz VZKNGCBPPILYNO-INIZCTEOSA-N 1 0 334.383 2.503 20 10 EFCDRO C[NH2+][C@H]1C[C@H](Oc2c(C)c(O)cc3c2C(=O)c2ccccc2C3=O)C1 ZINC001217955095 1315124858 /nfs/dbraw/zinc/12/48/58/1315124858.db2.gz WSPIJDCSVANJQK-HAQNSBGRSA-N 1 0 337.375 2.605 20 10 EFCDRO COc1ccc2c(c1O[C@@H]1CCC[NH2+]C1)C(=O)c1ccccc1C2=O ZINC001217962884 1315125854 /nfs/dbraw/zinc/12/58/54/1315125854.db2.gz IXRXSFACEUWMQU-GFCCVEGCSA-N 1 0 337.375 2.601 20 10 EFCDRO Cc1cc(OC2CC[NH2+]CC2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001217964060 1315125868 /nfs/dbraw/zinc/12/58/68/1315125868.db2.gz ZQPXFKNVMOSFFA-UHFFFAOYSA-N 1 0 337.375 2.607 20 10 EFCDRO O=C(c1ccccc1)c1ccc(O)c(O)c1O[C@@H]1CCCC[NH2+]C1 ZINC001217970261 1315126818 /nfs/dbraw/zinc/12/68/18/1315126818.db2.gz DNFDHXBLRGSKAQ-CQSZACIVSA-N 1 0 327.380 2.850 20 10 EFCDRO CCOC(=O)CCCOc1ccc(C[NH+]2CC3CC(C3)C2)c(O)c1 ZINC001249743348 1315128933 /nfs/dbraw/zinc/12/89/33/1315128933.db2.gz LDSOZMCKQLVXEP-UHFFFAOYSA-N 1 0 333.428 2.956 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@H]3CC[NH2+]CC[C@@H]3F)ccc21 ZINC001218027459 1315136081 /nfs/dbraw/zinc/13/60/81/1315136081.db2.gz ZILYOOSKWOTGLZ-ROUUACIJSA-N 1 0 339.366 2.931 20 10 EFCDRO COc1ccc2c(c1O[C@H]1C[NH2+][C@H](C)C1)C(=O)c1ccccc1C2=O ZINC001218039799 1315137295 /nfs/dbraw/zinc/13/72/95/1315137295.db2.gz WYMYLRBZFXVVCX-VXGBXAGGSA-N 1 0 337.375 2.600 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3C[C@H]4[NH2+]CC[C@H]4C3)ccc(O)c21 ZINC001218247788 1315170424 /nfs/dbraw/zinc/17/04/24/1315170424.db2.gz FAEYPQHQPWCAOW-YWPYICTPSA-N 1 0 349.386 2.687 20 10 EFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@H]3C[C@H]4[NH2+]CC[C@H]4C3)cccc21 ZINC001218247183 1315170643 /nfs/dbraw/zinc/17/06/43/1315170643.db2.gz PKWOQTZAQLYPPA-YWPYICTPSA-N 1 0 349.386 2.687 20 10 EFCDRO Cc1cc(C[N@@H+](C)C2CCN(C)CC2)c(O)cc1Br ZINC001250117420 1315174812 /nfs/dbraw/zinc/17/48/12/1315174812.db2.gz OSVWGFBGEBIMHQ-UHFFFAOYSA-N 1 0 327.266 2.989 20 10 EFCDRO CCOC(=O)CN(CC)Cc1cc(C)c(Br)cc1O ZINC001250133688 1315177573 /nfs/dbraw/zinc/17/75/73/1315177573.db2.gz PQAZKKRSGIAENG-UHFFFAOYSA-N 1 0 330.222 2.848 20 10 EFCDRO COC(=O)C[C@@H]1CCC[C@H](Oc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218341345 1315182414 /nfs/dbraw/zinc/18/24/14/1315182414.db2.gz MMBQULGTUUNALC-QAPCUYQASA-N 1 0 332.444 2.597 20 10 EFCDRO COc1c(C)c(O[C@@H]2C[NH2+][C@@H]2C)cc2c1C(=O)c1ccccc1C2=O ZINC001218384285 1315187251 /nfs/dbraw/zinc/18/72/51/1315187251.db2.gz IZVRELUVYUGIEL-BDJLRTHQSA-N 1 0 337.375 2.518 20 10 EFCDRO C[C@H]1CC[C@H](Oc2cccc3c2C(=O)c2c(O)cccc2C3=O)C[NH2+]1 ZINC001218392728 1315188295 /nfs/dbraw/zinc/18/82/95/1315188295.db2.gz LEZVFOPTUCNWSK-RYUDHWBXSA-N 1 0 337.375 2.687 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@H]1C[NH2+]CCC12CC2 ZINC001218404715 1315191156 /nfs/dbraw/zinc/19/11/56/1315191156.db2.gz LMFIEEYZBRJAMR-INIZCTEOSA-N 1 0 349.386 2.689 20 10 EFCDRO C[C@H]1CC[C@H](Oc2cccc3c2C(=O)c2cccc(O)c2C3=O)C[NH2+]1 ZINC001218408322 1315192097 /nfs/dbraw/zinc/19/20/97/1315192097.db2.gz USYIEUJOCUAYCZ-RYUDHWBXSA-N 1 0 337.375 2.687 20 10 EFCDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001218418455 1315192724 /nfs/dbraw/zinc/19/27/24/1315192724.db2.gz ZJZWHSFMIGDWEA-IAQYHMDHSA-N 1 0 337.375 2.544 20 10 EFCDRO COc1ccc2c(c1O[C@H]1[C@@H]3CC[C@H]1[NH2+]C3)C(=O)c1ccccc1C2=O ZINC001218443749 1315196495 /nfs/dbraw/zinc/19/64/95/1315196495.db2.gz CLABXHFEIDLVCC-PLTJGGDTSA-N 1 0 349.386 2.600 20 10 EFCDRO Cc1c(O)cc2c(c1O[C@@H]1C[C@H]3C[NH2+][C@@H]1C3)C(=O)c1ccccc1C2=O ZINC001218490882 1315203555 /nfs/dbraw/zinc/20/35/55/1315203555.db2.gz GJUMRMODRQWNJH-UXEPBGEESA-N 1 0 349.386 2.605 20 10 EFCDRO COc1cc(O)c(CN2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc1OC ZINC001276788967 1315211406 /nfs/dbraw/zinc/21/14/06/1315211406.db2.gz FFLDLVRFJNUVKU-LJQANCHMSA-N 1 0 334.460 2.717 20 10 EFCDRO N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001218581089 1315217723 /nfs/dbraw/zinc/21/77/23/1315217723.db2.gz DWYAALWSCXTBGN-DTRMFHPASA-N 1 0 342.378 2.553 20 10 EFCDRO CN(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001318396733 1328574560 /nfs/dbraw/zinc/57/45/60/1328574560.db2.gz JOBPXGGEGVQNBU-AZUAARDMSA-N 1 0 348.510 2.540 20 10 EFCDRO C[NH+]1CCN(c2ccc(-c3nc4cc5c(cc4[nH]3)OCO5)cc2)CC1 ZINC001250772619 1315262292 /nfs/dbraw/zinc/26/22/92/1315262292.db2.gz AHQRXOABVOYMBU-UHFFFAOYSA-N 1 0 336.395 2.710 20 10 EFCDRO Nc1cc(C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)ccc1Cl ZINC001219119740 1315283171 /nfs/dbraw/zinc/28/31/71/1315283171.db2.gz JPYPTDKUOFEHBJ-UHFFFAOYSA-N 1 0 330.819 2.584 20 10 EFCDRO CCOC(=O)C1CCC(O)(C[NH2+]Cc2c(C)cc(C)cc2O)CC1 ZINC001251074221 1315319079 /nfs/dbraw/zinc/31/90/79/1315319079.db2.gz RGRCNRKLKNAAGE-UHFFFAOYSA-N 1 0 335.444 2.583 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001219590920 1315328024 /nfs/dbraw/zinc/32/80/24/1315328024.db2.gz ZSLUPJCUKMUGNO-WFASDCNBSA-N 1 0 327.428 2.670 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c(O)c1 ZINC001276806703 1315330300 /nfs/dbraw/zinc/33/03/00/1315330300.db2.gz SHXXPJGXLYETJB-CALCHBBNSA-N 1 0 346.471 2.537 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)NC[C@H]2C[NH2+][C@H](C)C2)c1 ZINC001219686987 1315336026 /nfs/dbraw/zinc/33/60/26/1315336026.db2.gz CADJYZPGSBUCIM-IUODEOHRSA-N 1 0 327.428 2.528 20 10 EFCDRO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212870 1315385534 /nfs/dbraw/zinc/38/55/34/1315385534.db2.gz ZNJJWCZVQHWXHQ-PWSUYJOCSA-N 1 0 333.819 2.598 20 10 EFCDRO C[C@H]1CC[NH2+][C@@H](C(=O)NCc2cc(Cl)c3cccnc3c2O)C1 ZINC001220212726 1315385579 /nfs/dbraw/zinc/38/55/79/1315385579.db2.gz UGBHUJUHOJPYCK-IINYFYTJSA-N 1 0 333.819 2.598 20 10 EFCDRO [NH3+][C@@H](C(=O)NCc1cc(Cl)c2cccnc2c1O)c1ccccc1 ZINC001220212663 1315385754 /nfs/dbraw/zinc/38/57/54/1315385754.db2.gz RLDORSBYXAMJGF-OAHLLOKOSA-N 1 0 341.798 2.910 20 10 EFCDRO [NH3+][C@@H](CC1CCC1)C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212376 1315385967 /nfs/dbraw/zinc/38/59/67/1315385967.db2.gz HIXWOWZLPMNZRH-AWEZNQCLSA-N 1 0 333.819 2.728 20 10 EFCDRO Nc1ccc(CC(=O)NCC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC001220260899 1315392164 /nfs/dbraw/zinc/39/21/64/1315392164.db2.gz JTSUBUMJQNSSPO-UHFFFAOYSA-N 1 0 329.488 2.972 20 10 EFCDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001252062558 1315408491 /nfs/dbraw/zinc/40/84/91/1315408491.db2.gz CIURLVYRZSFDLR-OALUTQOASA-N 1 0 342.487 2.735 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)NCC2([NH3+])CCCC2)c1 ZINC001220499501 1315421218 /nfs/dbraw/zinc/42/12/18/1315421218.db2.gz ZYVOOBKRJOOQJA-UHFFFAOYSA-N 1 0 327.428 2.801 20 10 EFCDRO Cc1cc(C)c(CNC(=O)[C@@H]([NH3+])Cc2ccnc3ccccc23)c(O)c1 ZINC001220826111 1315454375 /nfs/dbraw/zinc/45/43/75/1315454375.db2.gz ZURKSLQWMQBZME-SFHVURJKSA-N 1 0 349.434 2.743 20 10 EFCDRO Nc1ccc(CC(=O)N[C@@H](c2ccc(F)cc2)C2CC[NH2+]CC2)cc1 ZINC001221037508 1315475538 /nfs/dbraw/zinc/47/55/38/1315475538.db2.gz SDFHVNCXDGWNMC-FQEVSTJZSA-N 1 0 341.430 2.808 20 10 EFCDRO O=C(N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1)c1cccc(O)c1O ZINC001221043281 1315475972 /nfs/dbraw/zinc/47/59/72/1315475972.db2.gz RLXNMWUBSWBXHW-KRWDZBQOSA-N 1 0 344.386 2.708 20 10 EFCDRO COc1ccc(N2CC[NH+](C[C@H](O)c3ccc(F)cc3)CC2)c(C)c1 ZINC001252848341 1315515889 /nfs/dbraw/zinc/51/58/89/1315515889.db2.gz OATOXHJMUSPBFJ-FQEVSTJZSA-N 1 0 344.430 2.998 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(F)(F)CC)cc2F)CC1 ZINC000826719707 1315525885 /nfs/dbraw/zinc/52/58/85/1315525885.db2.gz TYQIFKPWTSKHIT-UHFFFAOYSA-N 1 0 343.393 2.629 20 10 EFCDRO COc1ccccc1OC[C@@H](O)C[NH2+]Cc1c(C)cc(C)cc1O ZINC001252913064 1315530482 /nfs/dbraw/zinc/53/04/82/1315530482.db2.gz UZVUAZNUKYRSQC-HNNXBMFYSA-N 1 0 331.412 2.547 20 10 EFCDRO Oc1cccc2c1C[N@H+](C[C@@H](O)CCOCc1ccccc1)CC2 ZINC001253272314 1315587175 /nfs/dbraw/zinc/58/71/75/1315587175.db2.gz KKJABHXPWATLLP-SFHVURJKSA-N 1 0 327.424 2.718 20 10 EFCDRO Oc1cc2c(cc1O)C[N@H+](C[C@H](O)c1ccc(F)c(F)c1)CCC2 ZINC001253359354 1315595445 /nfs/dbraw/zinc/59/54/45/1315595445.db2.gz CHNFIVSGQFPVAI-SFHVURJKSA-N 1 0 335.350 2.858 20 10 EFCDRO COc1cccc(OC[C@H](O)C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001253960056 1315656230 /nfs/dbraw/zinc/65/62/30/1315656230.db2.gz HBMGNDRGIRCLSY-GOSISDBHSA-N 1 0 344.455 2.633 20 10 EFCDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cccc(O)c3O)CC2)cc1 ZINC001254469443 1315706805 /nfs/dbraw/zinc/70/68/05/1315706805.db2.gz ORJLOPZYYJTAAI-UHFFFAOYSA-N 1 0 343.383 2.765 20 10 EFCDRO O=C(C[NH2+]C1CCN(c2ccc(F)cc2)CC1)c1ccc(O)c(O)c1 ZINC001254615968 1315731918 /nfs/dbraw/zinc/73/19/18/1315731918.db2.gz GOXAPHKBEIYVJH-UHFFFAOYSA-N 1 0 344.386 2.678 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@H]3C[C@@H]4CC(=O)C[C@@H]4C3)CC2)c(OC)c1 ZINC001254963640 1315766167 /nfs/dbraw/zinc/76/61/67/1315766167.db2.gz KUGUUXDZDJYPHM-ZSHCYNCHSA-N 1 0 344.455 2.584 20 10 EFCDRO CCOc1ccc(N2CC[NH+](C3C[C@H]4CC(=O)C[C@@H]4C3)CC2)cc1 ZINC001254964463 1315766566 /nfs/dbraw/zinc/76/65/66/1315766566.db2.gz QPQIOZVFEBKCHA-HOTGVXAUSA-N 1 0 328.456 2.965 20 10 EFCDRO CCOC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001255337945 1315804993 /nfs/dbraw/zinc/80/49/93/1315804993.db2.gz WHNQFCFYRJAYJE-ZWKOTPCHSA-N 1 0 346.471 2.735 20 10 EFCDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001255494363 1315832172 /nfs/dbraw/zinc/83/21/72/1315832172.db2.gz NJHVXFYNYLWBSW-OAHLLOKOSA-N 1 0 343.393 2.801 20 10 EFCDRO COC[C@@H](C)[N@@H+]1CCC[C@]2(C1)COCCN(c1ccc(OC)cc1)C2 ZINC001255570171 1315841755 /nfs/dbraw/zinc/84/17/55/1315841755.db2.gz HZJJBGSRKHYDFD-YLJYHZDGSA-N 1 0 348.487 2.649 20 10 EFCDRO CCOc1ccc(N2CC[NH+](C[C@@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC001255732236 1315862938 /nfs/dbraw/zinc/86/29/38/1315862938.db2.gz HGDRZQDVFPXDFS-SFHVURJKSA-N 1 0 344.455 2.693 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@H](C)C(C)C)CCO2)cc1C ZINC001051854549 1315888846 /nfs/dbraw/zinc/88/88/46/1315888846.db2.gz CGNUFWPGBLNMGN-AEFFLSMTSA-N 1 0 348.487 2.613 20 10 EFCDRO C[N@H+](CCN1CCOC(C)(C)C1)Cc1ccc(N2CCCC2)cc1 ZINC001256205646 1315917352 /nfs/dbraw/zinc/91/73/52/1315917352.db2.gz PKSBTBNRKNMFLA-UHFFFAOYSA-N 1 0 331.504 2.829 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c1O ZINC000827555128 1316000565 /nfs/dbraw/zinc/00/05/65/1316000565.db2.gz OJCULLOMHBSZOD-LLVKDONJSA-N 1 0 340.851 2.791 20 10 EFCDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001318501590 1328622105 /nfs/dbraw/zinc/62/21/05/1328622105.db2.gz BQWIZOASNRSQEO-RTBURBONSA-N 1 0 344.503 2.959 20 10 EFCDRO COC(=O)c1ccc(C[N@@H+]2CCc3cccc(O)c3C2)c(OC)c1 ZINC001137455296 1316005000 /nfs/dbraw/zinc/00/50/00/1316005000.db2.gz NXNKTNSMPYQTKT-UHFFFAOYSA-N 1 0 327.380 2.746 20 10 EFCDRO CC[NH+]1CCN(Cc2nnc(-c3ccc(-n4cccc4)cc3)o2)CC1 ZINC001256965625 1316015842 /nfs/dbraw/zinc/01/58/42/1316015842.db2.gz GJLDZQWZFCKJDO-UHFFFAOYSA-N 1 0 337.427 2.665 20 10 EFCDRO COC(=O)CC1CCC([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001256988586 1316018727 /nfs/dbraw/zinc/01/87/27/1316018727.db2.gz DGEHGMJUERRXJC-UHFFFAOYSA-N 1 0 333.428 2.968 20 10 EFCDRO COc1c([O-])c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000827844316 1316021874 /nfs/dbraw/zinc/02/18/74/1316021874.db2.gz KRSQRLXGOUJWME-UHFFFAOYSA-N 1 0 349.431 2.521 20 10 EFCDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3O)CC2)C1 ZINC001257042158 1316024365 /nfs/dbraw/zinc/02/43/65/1316024365.db2.gz ZDTRQGJMKKWSQZ-YJBOKZPZSA-N 1 0 346.471 2.678 20 10 EFCDRO CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001257047477 1316025121 /nfs/dbraw/zinc/02/51/21/1316025121.db2.gz NJCSQINOYYLOII-WBVHZDCISA-N 1 0 332.444 2.549 20 10 EFCDRO CCOC(=O)c1ccc(C[C@@H](C)[NH2+]Cc2ccc(O)c(O)c2)cc1 ZINC001257151586 1316039758 /nfs/dbraw/zinc/03/97/58/1316039758.db2.gz OLKKZOXQFAVQOA-CYBMUJFWSA-N 1 0 329.396 2.995 20 10 EFCDRO CCOC(=O)c1ccc(C[C@H](C)[NH2+]Cc2ccc(O)cc2O)cc1 ZINC001257156798 1316040760 /nfs/dbraw/zinc/04/07/60/1316040760.db2.gz WFVRWLIMFYCZAQ-ZDUSSCGKSA-N 1 0 329.396 2.995 20 10 EFCDRO COCCOc1ccc(N2CC[NH+]([C@H]3CCCSC3)CC2)cc1 ZINC001257684530 1316085879 /nfs/dbraw/zinc/08/58/79/1316085879.db2.gz UMJCSQNSEABOAK-KRWDZBQOSA-N 1 0 336.501 2.729 20 10 EFCDRO COC(=O)C1CCC([NH+]2CCN(c3ccc(OC)cc3C)CC2)CC1 ZINC001257868985 1316099367 /nfs/dbraw/zinc/09/93/67/1316099367.db2.gz UAYSIYZXNXTUKH-UHFFFAOYSA-N 1 0 346.471 2.857 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCC2(COC2)CC1 ZINC001257908522 1316103038 /nfs/dbraw/zinc/10/30/38/1316103038.db2.gz LWFZGHKNEJZQIB-UHFFFAOYSA-N 1 0 330.472 2.914 20 10 EFCDRO COc1ccc(N2CC[NH+](C3CCC4(COC4)CC3)CC2)c(OC)c1 ZINC001257912806 1316103877 /nfs/dbraw/zinc/10/38/77/1316103877.db2.gz QYFAFNXVVJPVSO-UHFFFAOYSA-N 1 0 346.471 2.785 20 10 EFCDRO Oc1cc(O)c(CC[NH2+][C@@H]2COc3ccc(Cl)cc3C2)cc1O ZINC001257949643 1316105079 /nfs/dbraw/zinc/10/50/79/1316105079.db2.gz DCFWCJFYWXHLNV-ZDUSSCGKSA-N 1 0 335.787 2.593 20 10 EFCDRO O=C(C[NH2+]C1CCN(c2ccccc2)CC1)c1ccc(O)c(O)c1 ZINC001258506394 1316157847 /nfs/dbraw/zinc/15/78/47/1316157847.db2.gz UVBHMNZHXILXKX-UHFFFAOYSA-N 1 0 326.396 2.539 20 10 EFCDRO O=C1CC[C@@H]([NH2+]Cc2cccc(O)c2O)CCN1Cc1ccccc1 ZINC001258574206 1316164138 /nfs/dbraw/zinc/16/41/38/1316164138.db2.gz OSYMYIHSEUCYDU-QGZVFWFLSA-N 1 0 340.423 2.769 20 10 EFCDRO CC[NH+]1CCC(NC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC001261452790 1316413077 /nfs/dbraw/zinc/41/30/77/1316413077.db2.gz MMZRXPXQEWUTDG-UHFFFAOYSA-N 1 0 344.484 2.530 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC001262376867 1316465035 /nfs/dbraw/zinc/46/50/35/1316465035.db2.gz FCQHRFMBZMQXOV-MRXNPFEDSA-N 1 0 332.492 2.626 20 10 EFCDRO CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001262487682 1316469283 /nfs/dbraw/zinc/46/92/83/1316469283.db2.gz AKHQMNHKHUAHQE-UHFFFAOYSA-N 1 0 330.350 2.976 20 10 EFCDRO C[C@@H]1CN(Cc2cccc(C[NH2+]Cc3ccc(N)cc3)c2)CCO1 ZINC001262487779 1316469296 /nfs/dbraw/zinc/46/92/96/1316469296.db2.gz FQQFGDFFKIZSNM-MRXNPFEDSA-N 1 0 325.456 2.779 20 10 EFCDRO Oc1ccc2ccccc2c1C[NH+]1CC2(CCN2CCn2ccnc2)C1 ZINC001279294069 1317228270 /nfs/dbraw/zinc/22/82/70/1317228270.db2.gz RJCDPEAKQYOAHR-UHFFFAOYSA-N 1 0 348.450 2.702 20 10 EFCDRO Cc1c(C[NH+]2CC3(C2)CCN(Cc2cn[nH]c2)C3)c2ccccc2n1C ZINC001279542429 1317292406 /nfs/dbraw/zinc/29/24/06/1317292406.db2.gz WCNVETRXNPHBGX-UHFFFAOYSA-N 1 0 349.482 2.918 20 10 EFCDRO O=C(Nc1cccc2nccn21)C12CC([NH2+]Cc3ccccc3O)(C1)C2 ZINC001279969161 1317425952 /nfs/dbraw/zinc/42/59/52/1317425952.db2.gz VRQGYYAEDHIMOO-UHFFFAOYSA-N 1 0 348.406 2.691 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+]CC3(CCO)CCCC3)cc2F)CC1 ZINC001318934482 1328744404 /nfs/dbraw/zinc/74/44/04/1328744404.db2.gz UUTNHQOFAGKRFL-UHFFFAOYSA-N 1 0 349.494 2.610 20 10 EFCDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NCCCSc1nccs1 ZINC001319178211 1328798148 /nfs/dbraw/zinc/79/81/48/1328798148.db2.gz SCOGOWPDJVQRLQ-STQMWFEESA-N 1 0 342.534 2.797 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000828667176 1321976670 /nfs/dbraw/zinc/97/66/70/1321976670.db2.gz NPEUOLGCSLZTKJ-ZFWWWQNUSA-N 1 0 328.412 2.538 20 10 EFCDRO Oc1cc2c(cc1C[NH+]1CCC(n3cc(Cl)cn3)CC1)[C@@H](O)CO2 ZINC001320048011 1329064340 /nfs/dbraw/zinc/06/43/40/1329064340.db2.gz QRDQRHDITRDXSV-INIZCTEOSA-N 1 0 349.818 2.505 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+][C@H]3CCC(F)(F)C3)cc2F)CC1 ZINC001320080451 1329071234 /nfs/dbraw/zinc/07/12/34/1329071234.db2.gz BKROCYQRBDATNP-AWEZNQCLSA-N 1 0 327.394 2.855 20 10 EFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCN(c2cnn(C)c2)C1 ZINC001320125354 1329090497 /nfs/dbraw/zinc/09/04/97/1329090497.db2.gz RNQJDPUIXWDVJK-IJEWVQPXSA-N 1 0 326.444 2.851 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC001320131473 1329092434 /nfs/dbraw/zinc/09/24/34/1329092434.db2.gz SCRIKDSLKICVBP-MNOVXSKESA-N 1 0 344.377 2.989 20 10 EFCDRO C[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)C(=O)NCC(F)(F)F ZINC001320130179 1329092847 /nfs/dbraw/zinc/09/28/47/1329092847.db2.gz JLPDVUPPZPHTFP-OYNCUSHFSA-N 1 0 334.313 2.736 20 10 EFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC001320133066 1329094471 /nfs/dbraw/zinc/09/44/71/1329094471.db2.gz NBOOAYSCOXJRKI-RBSFLKMASA-N 1 0 333.428 2.761 20 10 EFCDRO C[C@H](NC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C)c1ccc(N(C)C)cc1 ZINC001320381069 1329120514 /nfs/dbraw/zinc/12/05/14/1329120514.db2.gz UPJNIZDBEJMCAI-WBAXXEDZSA-N 1 0 332.492 2.986 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@@]3(C)CCCC[C@H]3C(=O)[O-])cc2)CC1 ZINC000901825003 1324758228 /nfs/dbraw/zinc/75/82/28/1324758228.db2.gz UJEGYBDTGFXIJB-ICSRJNTNSA-N 1 0 345.487 2.562 20 10 EFCDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001313393913 1325014180 /nfs/dbraw/zinc/01/41/80/1325014180.db2.gz GGZQPXHACCITJL-LQDZTQBFSA-N 1 0 344.503 2.699 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001320813495 1329305688 /nfs/dbraw/zinc/30/56/88/1329305688.db2.gz PJGXENSAWFKVIK-UHFFFAOYSA-N 1 0 335.411 2.572 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)c1 ZINC001321720908 1329404855 /nfs/dbraw/zinc/40/48/55/1329404855.db2.gz PRSYXLCEAYLBQR-VBNZEHGJSA-N 1 0 335.448 2.634 20 10 EFCDRO CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001323285243 1329531048 /nfs/dbraw/zinc/53/10/48/1329531048.db2.gz FCINEFXLABVADM-KRWDZBQOSA-N 1 0 331.460 2.997 20 10 EFCDRO C[C@@H]([NH2+]CCN1c2ccccc2OCC1=O)c1ccc(N(C)C)cc1 ZINC001323399472 1329540842 /nfs/dbraw/zinc/54/08/42/1329540842.db2.gz YNOPEPLQOHJQBD-OAHLLOKOSA-N 1 0 339.439 2.829 20 10 EFCDRO CCO[C@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001324166316 1329604934 /nfs/dbraw/zinc/60/49/34/1329604934.db2.gz CTKSCFKRPSRNSR-KRWDZBQOSA-N 1 0 335.467 2.578 20 10 EFCDRO OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001324395094 1329623454 /nfs/dbraw/zinc/62/34/54/1329623454.db2.gz QMLHLSSJLCLZGY-TZIWHRDSSA-N 1 0 340.467 2.861 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+]C3(C4CC4)CCOCC3)cc2F)CC1 ZINC001325557790 1329697024 /nfs/dbraw/zinc/69/70/24/1329697024.db2.gz FUBGSAWRLIBMEK-UHFFFAOYSA-N 1 0 347.478 2.626 20 10 EFCDRO C[NH+](C)CCN(Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCCO1 ZINC001325713630 1329708212 /nfs/dbraw/zinc/70/82/12/1329708212.db2.gz LXLIQTVDSBUDTM-FQEVSTJZSA-N 1 0 331.504 2.829 20 10 EFCDRO C[NH2+][C@H](C)CCN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC001325745378 1329709910 /nfs/dbraw/zinc/70/99/10/1329709910.db2.gz XSIHXGLYAJGBRP-ZIAGYGMSSA-N 1 0 325.884 2.825 20 10 EFCDRO Cc1ccccc1OCCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001326289834 1329744694 /nfs/dbraw/zinc/74/46/94/1329744694.db2.gz DEFHJHKUDKFGJU-SFHVURJKSA-N 1 0 341.455 2.646 20 10 EFCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CCO)CC3)cc2F)CC1 ZINC001327589857 1330498928 /nfs/dbraw/zinc/49/89/28/1330498928.db2.gz IJQDSGQYFSONHS-QGZVFWFLSA-N 1 0 349.494 2.562 20 10 EFCDRO C[N@@H+]1C[C@@H]2CCCN(Cc3ccc(Br)cc3O)[C@@H]2C1 ZINC001328209832 1330568495 /nfs/dbraw/zinc/56/84/95/1330568495.db2.gz QVETWSCPHDFWOR-SMDDNHRTSA-N 1 0 325.250 2.681 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C1CC1)C1(CO)CCOCC1 ZINC001328660004 1330613108 /nfs/dbraw/zinc/61/31/08/1330613108.db2.gz RYVKDDQYHCKIQH-LJQANCHMSA-N 1 0 332.488 2.718 20 10 EFCDRO COCn1ncc(C)c1C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC001328762265 1330627999 /nfs/dbraw/zinc/62/79/99/1330627999.db2.gz ZIUFKKMHXSRFKF-MRXNPFEDSA-N 1 0 330.476 2.891 20 10 EFCDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001328771824 1330629912 /nfs/dbraw/zinc/62/99/12/1330629912.db2.gz MWMLJSBLCUXHLN-GXTWGEPZSA-N 1 0 325.792 2.680 20 10 EFCDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001328771826 1330630031 /nfs/dbraw/zinc/63/00/31/1330630031.db2.gz MWMLJSBLCUXHLN-TZMCWYRMSA-N 1 0 325.792 2.680 20 10 EFCDRO CCOc1ccc(N2CC[NH+](CCCc3nc(C)no3)CC2)cc1 ZINC001329254076 1330686364 /nfs/dbraw/zinc/68/63/64/1330686364.db2.gz VTVKPIAAIOCYJU-UHFFFAOYSA-N 1 0 330.432 2.532 20 10 EFCDRO CC(C)O[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001329506080 1330713408 /nfs/dbraw/zinc/71/34/08/1330713408.db2.gz DLYULOZZPHOYLN-QGZVFWFLSA-N 1 0 335.467 2.577 20 10 EFCDRO COc1ccc(N2CCCN(C(=O)CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001331049152 1330788425 /nfs/dbraw/zinc/78/84/25/1330788425.db2.gz KGNDQDXFLNMUNX-KRWDZBQOSA-N 1 0 345.487 2.514 20 10 EFCDRO Cc1cc(CN2CCC[N@H+](Cc3cc(F)cc(F)c3[O-])CC2)no1 ZINC001331551803 1330851645 /nfs/dbraw/zinc/85/16/45/1330851645.db2.gz HRQVXTYTEPCXCR-UHFFFAOYSA-N 1 0 337.370 2.675 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1O ZINC001332691134 1331003174 /nfs/dbraw/zinc/00/31/74/1331003174.db2.gz JKZVGNVKHMSRNN-SJORKVTESA-N 1 0 345.443 2.531 20 10 EFCDRO CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001333337067 1331119842 /nfs/dbraw/zinc/11/98/42/1331119842.db2.gz SLNSKTZJPDRULI-GOSISDBHSA-N 1 0 346.471 2.565 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCc2nn(C)c3ccccc23)c1O ZINC001333704866 1331197590 /nfs/dbraw/zinc/19/75/90/1331197590.db2.gz DUHJHTJGYWXIHC-UHFFFAOYSA-N 1 0 325.412 2.928 20 10 EFCDRO COCCOc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC001334152774 1331256269 /nfs/dbraw/zinc/25/62/69/1331256269.db2.gz BOZRVTWZVIARGQ-UHFFFAOYSA-N 1 0 347.411 2.724 20 10 EFCDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001334877309 1331322018 /nfs/dbraw/zinc/32/20/18/1331322018.db2.gz HOJKKWUQQMCBOY-GOSISDBHSA-N 1 0 347.528 2.729 20 10 EFCDRO Nc1ccc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC001335911882 1331416045 /nfs/dbraw/zinc/41/60/45/1331416045.db2.gz RPZHPLLMCBNPST-QGZVFWFLSA-N 1 0 342.443 2.888 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)C2(C(C)(F)F)CC2)[NH+](C)C)cc1 ZINC001336624890 1331487774 /nfs/dbraw/zinc/48/77/74/1331487774.db2.gz RXCCWEWWUIAZFC-OAHLLOKOSA-N 1 0 339.430 2.907 20 10 EFCDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001336698631 1331493763 /nfs/dbraw/zinc/49/37/63/1331493763.db2.gz SNPJOCUIEBNLIS-UGSOOPFHSA-N 1 0 337.416 2.621 20 10 EFCDRO Cc1ccc([C@H](CNC(=O)NCc2ccc(N)cc2)[NH+](C)C)cc1 ZINC001336785116 1331502547 /nfs/dbraw/zinc/50/25/47/1331502547.db2.gz VYMNNUBDOVXYGQ-SFHVURJKSA-N 1 0 326.444 2.679 20 10 EFCDRO Nc1ccc(CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)cc1 ZINC001336844646 1331508243 /nfs/dbraw/zinc/50/82/43/1331508243.db2.gz JCMJKUSVFMXUTO-UHFFFAOYSA-N 1 0 330.476 2.865 20 10 EFCDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)C[N@@H+]1Cc1ccccc1 ZINC001337016428 1331527754 /nfs/dbraw/zinc/52/77/54/1331527754.db2.gz RVGVSPGZZVOEJO-BEFAXECRSA-N 1 0 338.455 2.731 20 10 EFCDRO Nc1ccc(CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001337078783 1331534486 /nfs/dbraw/zinc/53/44/86/1331534486.db2.gz QMTGJLSZAWZHCS-UHFFFAOYSA-N 1 0 338.455 2.686 20 10 EFCDRO COCCC(=O)N1CCC([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001337798284 1331599706 /nfs/dbraw/zinc/59/97/06/1331599706.db2.gz FVOGLNVLSLEMOS-HOCLYGCPSA-N 1 0 346.471 2.866 20 10 EFCDRO C[C@@H](NC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(N(C)C)cc1 ZINC001338595412 1331718824 /nfs/dbraw/zinc/71/88/24/1331718824.db2.gz LVUKYGVKKBRKCN-UPRAQXHNSA-N 1 0 338.455 2.738 20 10 EFCDRO C[C@H]1[C@@H](NC(=O)NCc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001338608291 1331719618 /nfs/dbraw/zinc/71/96/18/1331719618.db2.gz PKZLKJGPMAXYDZ-KXBFYZLASA-N 1 0 338.455 2.731 20 10 EFCDRO CN(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001338886809 1331753242 /nfs/dbraw/zinc/75/32/42/1331753242.db2.gz IFPWJNFUOUPAIA-HKUYNNGSSA-N 1 0 335.467 2.625 20 10 EFCDRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001341569627 1332268740 /nfs/dbraw/zinc/26/87/40/1332268740.db2.gz RQKYCKSGFTUKIA-QGZVFWFLSA-N 1 0 334.485 2.767 20 10 EFCDRO CSCC[C@H]([NH3+])CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001341703537 1332277964 /nfs/dbraw/zinc/27/79/64/1332277964.db2.gz MFLGPRZFSHPUAK-INIZCTEOSA-N 1 0 337.533 2.960 20 10 EFCDRO CCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)[C@H]1CCC[NH2+]C1 ZINC001342173259 1332313333 /nfs/dbraw/zinc/31/33/33/1332313333.db2.gz LAYBNOZZDVFPPJ-INIZCTEOSA-N 1 0 326.444 2.703 20 10 EFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@](C)(CO)C3)cc2)CC1 ZINC001344122717 1332404104 /nfs/dbraw/zinc/40/41/04/1332404104.db2.gz BDINMGSHWQDLII-FQEVSTJZSA-N 1 0 332.488 2.896 20 10 EFCDRO Nc1ccc(Cc2nc(C(=O)NC[C@@H]3CCCCC[NH2+]3)cs2)cc1 ZINC001345527172 1332545929 /nfs/dbraw/zinc/54/59/29/1332545929.db2.gz WLGNXDSAQNREDN-HNNXBMFYSA-N 1 0 344.484 2.578 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1CCCCC[NH2+]1 ZINC001346192544 1332609662 /nfs/dbraw/zinc/60/96/62/1332609662.db2.gz VNNVNYNRTUCFKC-QGZVFWFLSA-N 1 0 330.476 2.618 20 10 EFCDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001347236595 1332726301 /nfs/dbraw/zinc/72/63/01/1332726301.db2.gz AEUXOXDJNOEPJQ-FQEVSTJZSA-N 1 0 349.494 2.562 20 10 EFCDRO CS(=O)(=O)C[C@@H]1CCCCN1Cc1ccc(N2CCCC2)cc1 ZINC001347794034 1332773978 /nfs/dbraw/zinc/77/39/78/1332773978.db2.gz OFPFILUFVNCBTQ-SFHVURJKSA-N 1 0 336.501 2.686 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@@H+]3C2)c1 ZINC001348141824 1332803535 /nfs/dbraw/zinc/80/35/35/1332803535.db2.gz ZLONYJCZDLXGCU-BYNSBNAKSA-N 1 0 332.444 2.698 20 10 EFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCCC[NH3+])cc1 ZINC001348561699 1332848830 /nfs/dbraw/zinc/84/88/30/1332848830.db2.gz LVQSZHWTVZZMAM-UHFFFAOYSA-N 1 0 344.459 2.796 20 10 EFCDRO O=C(CC[C@@H]1CCC[NH2+]C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001351156984 1333187531 /nfs/dbraw/zinc/18/75/31/1333187531.db2.gz WUPSGYIKLAAVLB-WMZOPIPTSA-N 1 0 346.471 2.680 20 10 EFCDRO C[C@@H]1CCCN(C(=O)CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001351508935 1333242583 /nfs/dbraw/zinc/24/25/83/1333242583.db2.gz YHNZMESTOPZTMH-CYBMUJFWSA-N 1 0 339.430 2.769 20 10 EFCDRO Cc1coc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1C ZINC001352166854 1333410993 /nfs/dbraw/zinc/41/09/93/1333410993.db2.gz CEFSHZIMVYICBL-QGZVFWFLSA-N 1 0 329.444 2.995 20 10 EFCDRO C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)n1cccc1 ZINC001352167233 1333411851 /nfs/dbraw/zinc/41/18/51/1333411851.db2.gz IZWZUQAXJKTUBA-YJBOKZPZSA-N 1 0 328.460 2.534 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000847301699 1333508094 /nfs/dbraw/zinc/50/80/94/1333508094.db2.gz BUZRIZOEHTWCOW-AEFFLSMTSA-N 1 0 348.466 2.708 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1F ZINC000847301704 1333508504 /nfs/dbraw/zinc/50/85/04/1333508504.db2.gz BUZRIZOEHTWCOW-FUHWJXTLSA-N 1 0 348.466 2.708 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847318487 1333541024 /nfs/dbraw/zinc/54/10/24/1333541024.db2.gz KDUDGXBYEIXHEG-RTBURBONSA-N 1 0 344.503 2.877 20 10 EFCDRO COc1ccc(O)c(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000847591548 1333964351 /nfs/dbraw/zinc/96/43/51/1333964351.db2.gz WNBZRQNRBDBWPJ-MRXNPFEDSA-N 1 0 340.423 2.539 20 10 EFCDRO COc1ccc(O)c(CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000847591547 1333964613 /nfs/dbraw/zinc/96/46/13/1333964613.db2.gz WNBZRQNRBDBWPJ-INIZCTEOSA-N 1 0 340.423 2.539 20 10 EFCDRO CC[C@H](C)CNC(=S)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001200278239 1334037914 /nfs/dbraw/zinc/03/79/14/1334037914.db2.gz RYLBMEGEVZSALG-AWEZNQCLSA-N 1 0 335.517 2.867 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)CC[C@H](C)OC)C2)cc1C ZINC001100266624 1334046829 /nfs/dbraw/zinc/04/68/29/1334046829.db2.gz OXDJPBOEKLMYCV-ZLPCBKJTSA-N 1 0 348.487 2.803 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)Cc3ccoc3)C2)cc1C ZINC001100272545 1334061256 /nfs/dbraw/zinc/06/12/56/1334061256.db2.gz FRJWUPAKDHKVRA-UHFFFAOYSA-N 1 0 342.439 2.824 20 10 EFCDRO CCC[C@H](OC)C(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001100562542 1334294198 /nfs/dbraw/zinc/29/41/98/1334294198.db2.gz QQFAMUFAYVZOJJ-TVPLGVNVSA-N 1 0 348.487 2.803 20 10 EFCDRO Cc1cn2c(nc(C[NH2+][C@H](C)c3ccc(N(C)C)cc3)cc2=O)s1 ZINC001354627726 1334422576 /nfs/dbraw/zinc/42/25/76/1334422576.db2.gz XYEXSURPGAJWOA-CYBMUJFWSA-N 1 0 342.468 2.981 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)CC[NH2+]C1CC1 ZINC000848405135 1334709596 /nfs/dbraw/zinc/70/95/96/1334709596.db2.gz ARXCPRGAQCBNEX-UHFFFAOYSA-N 1 0 341.249 2.645 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1F ZINC000848414148 1334712303 /nfs/dbraw/zinc/71/23/03/1334712303.db2.gz LVICTQDXBNTYFO-HNAYVOBHSA-N 1 0 333.451 2.678 20 10 EFCDRO CC(=O)OC[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001355263718 1334726829 /nfs/dbraw/zinc/72/68/29/1334726829.db2.gz OMFSSBRJGHNHTG-OCCSQVGLSA-N 1 0 342.386 2.798 20 10 EFCDRO COC(=O)[C@]12C[N@H+](Cc3cc(C)cc(OC)c3O)C[C@H]1CCCC2 ZINC000848491467 1334747620 /nfs/dbraw/zinc/74/76/20/1334747620.db2.gz RUPZOYDJLOJVRT-DNVCBOLYSA-N 1 0 333.428 2.874 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC3CCC2CC3)[NH+](C)C)cc1 ZINC001355381493 1334762223 /nfs/dbraw/zinc/76/22/23/1334762223.db2.gz RZJLZSJITMICEF-XUJQIHCRSA-N 1 0 344.503 2.939 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCn4ccnc43)C2)cc1 ZINC000848553086 1334791309 /nfs/dbraw/zinc/79/13/09/1334791309.db2.gz IHNVQSJWYHKMNQ-CRAIPNDOSA-N 1 0 326.444 2.843 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000848552951 1334791383 /nfs/dbraw/zinc/79/13/83/1334791383.db2.gz GRABUTANGHNDJL-UWJYYQICSA-N 1 0 345.531 2.835 20 10 EFCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C(=O)OC(C)(C)C ZINC000848566253 1334797355 /nfs/dbraw/zinc/79/73/55/1334797355.db2.gz SLDXHSUGQMOZMS-HNNXBMFYSA-N 1 0 334.460 2.591 20 10 EFCDRO CCOCc1cc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)ccc1OC ZINC000848567966 1334798278 /nfs/dbraw/zinc/79/82/78/1334798278.db2.gz UXVALOJRQOWAKR-ICSRJNTNSA-N 1 0 327.424 2.980 20 10 EFCDRO CCc1cccc(C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000848881596 1334958451 /nfs/dbraw/zinc/95/84/51/1334958451.db2.gz YWHOVBQDVCYCMZ-ZDUSSCGKSA-N 1 0 348.468 2.795 20 10 EFCDRO CCc1cccc(C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000848881595 1334958455 /nfs/dbraw/zinc/95/84/55/1334958455.db2.gz YWHOVBQDVCYCMZ-CYBMUJFWSA-N 1 0 348.468 2.795 20 10 EFCDRO CCc1cccc(C[N@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c1O ZINC000848888259 1334962799 /nfs/dbraw/zinc/96/27/99/1334962799.db2.gz PZOXEKAJZVWKOZ-JKSUJKDBSA-N 1 0 325.474 2.742 20 10 EFCDRO CCc1cccc(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000848888257 1334962903 /nfs/dbraw/zinc/96/29/03/1334962903.db2.gz PZOXEKAJZVWKOZ-HOTGVXAUSA-N 1 0 325.474 2.742 20 10 EFCDRO CCc1cccc(C[NH2+]C[C@H](O)c2cc(OC)ccc2OC)c1O ZINC000848890398 1334964272 /nfs/dbraw/zinc/96/42/72/1334964272.db2.gz IDHGXWVCBXXRGT-KRWDZBQOSA-N 1 0 331.412 2.795 20 10 EFCDRO CCc1cccc(C[NH2+]C[C@@H](O)c2cc(OC)ccc2OC)c1O ZINC000848890399 1334964932 /nfs/dbraw/zinc/96/49/32/1334964932.db2.gz IDHGXWVCBXXRGT-QGZVFWFLSA-N 1 0 331.412 2.795 20 10 EFCDRO COC(=O)/C=C/c1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)o1 ZINC000848893787 1334966299 /nfs/dbraw/zinc/96/62/99/1334966299.db2.gz CMRLBRDDSRQBPC-VQHVLOKHSA-N 1 0 332.375 2.961 20 10 EFCDRO CCc1cccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)c1O ZINC000848895929 1334969016 /nfs/dbraw/zinc/96/90/16/1334969016.db2.gz ZEDPKGLCHBPHTI-CYBMUJFWSA-N 1 0 348.468 2.714 20 10 EFCDRO CCc1cccc(C[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c1O ZINC000848896045 1334969200 /nfs/dbraw/zinc/96/92/00/1334969200.db2.gz YYGOLDYDCXJIRW-UHFFFAOYSA-N 1 0 333.453 2.789 20 10 EFCDRO CCc1cccc(C[NH2+]CCCN2C(=O)COc3ccccc32)c1O ZINC000848898834 1334969737 /nfs/dbraw/zinc/96/97/37/1334969737.db2.gz YWWQSVCGKNUQJT-UHFFFAOYSA-N 1 0 340.423 2.860 20 10 EFCDRO CCc1cccc(C[NH2+]Cc2cc(C)nc(N3CCCC3)n2)c1O ZINC000848912682 1334980653 /nfs/dbraw/zinc/98/06/53/1334980653.db2.gz IPULVMPXXHWJCF-UHFFFAOYSA-N 1 0 326.444 2.943 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1F ZINC000848929131 1334993760 /nfs/dbraw/zinc/99/37/60/1334993760.db2.gz AXGRKEOHPODVQW-QGZVFWFLSA-N 1 0 335.467 2.578 20 10 EFCDRO C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H]1CC[NH3+] ZINC001356570229 1335054473 /nfs/dbraw/zinc/05/44/73/1335054473.db2.gz RJKJKGGQLNNPJS-VQIMIIECSA-N 1 0 344.503 2.946 20 10 EFCDRO CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000969416938 713095945 /nfs/dbraw/zinc/09/59/45/713095945.db2.gz OWQOWZYNZMEJIT-KURKYZTESA-N 1 0 346.471 2.509 20 10 EFCDRO CCc1ncoc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000969891179 713300205 /nfs/dbraw/zinc/30/02/05/713300205.db2.gz CWTGLIPYQXMXSC-OAHLLOKOSA-N 1 0 343.427 2.558 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CC4(CC4)C3)C2)cc1C ZINC000969906620 713303343 /nfs/dbraw/zinc/30/33/43/713303343.db2.gz QJEXEVLJLLUECN-QGZVFWFLSA-N 1 0 328.456 2.884 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3nccs3)C2)cc1C ZINC001020802679 713401670 /nfs/dbraw/zinc/40/16/70/713401670.db2.gz JBVBMHPRGGTKKG-HDJSIYSDSA-N 1 0 331.441 2.511 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC34CCC4)C2)cc1C ZINC000970115752 713410662 /nfs/dbraw/zinc/41/06/62/713410662.db2.gz CTMRQDFYRVLRDM-SJORKVTESA-N 1 0 328.456 2.884 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCOCC3)C2)cc1C ZINC000968537291 713474297 /nfs/dbraw/zinc/47/42/97/713474297.db2.gz PXHZIGFVPYASGE-QZTJIDSGSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3nc(C)oc3C)C2)cc1C ZINC000970330622 713638166 /nfs/dbraw/zinc/63/81/66/713638166.db2.gz HZWFLTOAAMBYDS-MRXNPFEDSA-N 1 0 343.427 2.613 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ncccc3F)C2)cc1C ZINC000970333023 713641738 /nfs/dbraw/zinc/64/17/38/713641738.db2.gz RKZYSCNKBNWMMK-OAHLLOKOSA-N 1 0 343.402 2.542 20 10 EFCDRO Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c(O)c1O ZINC000177676761 713943159 /nfs/dbraw/zinc/94/31/59/713943159.db2.gz ILMILPJCNDVNIR-AWEZNQCLSA-N 1 0 340.423 2.583 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]cc2C2CC2)[NH+](C)C)cc1 ZINC000891243914 714127571 /nfs/dbraw/zinc/12/75/71/714127571.db2.gz VTEUZBPBXYZSQJ-LJQANCHMSA-N 1 0 340.471 2.991 20 10 EFCDRO Cc1cc(F)ncc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245233 714131476 /nfs/dbraw/zinc/13/14/76/714131476.db2.gz ARYYPXIAUCOYDS-KRWDZBQOSA-N 1 0 344.434 2.628 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C/c2ccc[nH]2)[NH+](C)C)cc1 ZINC000891246773 714133210 /nfs/dbraw/zinc/13/32/10/714133210.db2.gz DGFFPMZLMVTWLC-PEKVBPLLSA-N 1 0 326.444 2.513 20 10 EFCDRO CC(C)n1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000891247104 714133946 /nfs/dbraw/zinc/13/39/46/714133946.db2.gz FBOQSMUEXRGADV-GOSISDBHSA-N 1 0 343.475 2.563 20 10 EFCDRO CC(C)n1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000891247105 714133974 /nfs/dbraw/zinc/13/39/74/714133974.db2.gz FBOQSMUEXRGADV-SFHVURJKSA-N 1 0 343.475 2.563 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)C2(C)CC(F)(F)C2)[NH+](C)C)cc1 ZINC000891248554 714136003 /nfs/dbraw/zinc/13/60/03/714136003.db2.gz YLVDMSBJOKOWLD-OAHLLOKOSA-N 1 0 339.430 2.907 20 10 EFCDRO CCc1nc(C)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000891249300 714137773 /nfs/dbraw/zinc/13/77/73/714137773.db2.gz QKTQTKIELWLPLM-INIZCTEOSA-N 1 0 344.459 2.644 20 10 EFCDRO CCc1occc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249809 714139276 /nfs/dbraw/zinc/13/92/76/714139276.db2.gz SYEGHBZFAXJHKW-KRWDZBQOSA-N 1 0 329.444 2.941 20 10 EFCDRO CO[C@@H](CC(C)C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248944 714139758 /nfs/dbraw/zinc/13/97/58/714139758.db2.gz OZBTXMFJCGCWNK-MSOLQXFVSA-N 1 0 335.492 2.533 20 10 EFCDRO COCCC[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248759 714139867 /nfs/dbraw/zinc/13/98/67/714139867.db2.gz NUGPDGHXDVIHLN-MAUKXSAKSA-N 1 0 335.492 2.534 20 10 EFCDRO CC(C)OCCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249112 714140336 /nfs/dbraw/zinc/14/03/36/714140336.db2.gz QAXWSVANJBRGCN-SFHVURJKSA-N 1 0 335.492 2.677 20 10 EFCDRO C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(F)(F)F ZINC000891250484 714140501 /nfs/dbraw/zinc/14/05/01/714140501.db2.gz AGQZMPHWMVFSSH-RISCZKNCSA-N 1 0 331.382 2.670 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)C2CCSCC2)[NH+](C)C)cc1 ZINC000891251945 714142778 /nfs/dbraw/zinc/14/27/78/714142778.db2.gz IILJIYRGSYFSNU-QGZVFWFLSA-N 1 0 335.517 2.615 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)CC[C@@H]2CCCCO2)[NH+](C)C)cc1 ZINC000891252325 714147052 /nfs/dbraw/zinc/14/70/52/714147052.db2.gz JKPZDOXJWVCOLI-RBUKOAKNSA-N 1 0 347.503 2.821 20 10 EFCDRO C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccco1 ZINC000891253997 714147928 /nfs/dbraw/zinc/14/79/28/714147928.db2.gz VKIRFSMNBJIZBW-RHSMWYFYSA-N 1 0 329.444 2.868 20 10 EFCDRO C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccco1 ZINC000891254004 714147999 /nfs/dbraw/zinc/14/79/99/714147999.db2.gz VKIRFSMNBJIZBW-WMLDXEAASA-N 1 0 329.444 2.868 20 10 EFCDRO CC(C)CO[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255418 714151764 /nfs/dbraw/zinc/15/17/64/714151764.db2.gz OWBGUUFLUMXSDD-QAPCUYQASA-N 1 0 335.492 2.533 20 10 EFCDRO CC(C)CO[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255419 714151807 /nfs/dbraw/zinc/15/18/07/714151807.db2.gz OWBGUUFLUMXSDD-YJBOKZPZSA-N 1 0 335.492 2.533 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc(C3CC3)on2)[NH+](C)C)cc1 ZINC000891255436 714151933 /nfs/dbraw/zinc/15/19/33/714151933.db2.gz PFGSPLGDOQBXBF-KRWDZBQOSA-N 1 0 342.443 2.651 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2ccsc2)[NH+](C)C)cc1 ZINC000891258564 714153983 /nfs/dbraw/zinc/15/39/83/714153983.db2.gz UJCLWMRYRHBKOH-KRWDZBQOSA-N 1 0 331.485 2.776 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2ccsc2)[NH+](C)C)cc1 ZINC000891258565 714154218 /nfs/dbraw/zinc/15/42/18/714154218.db2.gz UJCLWMRYRHBKOH-QGZVFWFLSA-N 1 0 331.485 2.776 20 10 EFCDRO CC(C)=CC[NH+]1CC([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970954185 714177015 /nfs/dbraw/zinc/17/70/15/714177015.db2.gz LCSISBRXPSRCLA-CYBMUJFWSA-N 1 0 343.431 2.865 20 10 EFCDRO CC[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970954229 714177190 /nfs/dbraw/zinc/17/71/90/714177190.db2.gz LWXHJIMHEFSFDR-OLZOCXBDSA-N 1 0 345.447 2.945 20 10 EFCDRO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1C[NH+](CC[C@H](C)F)C1 ZINC000970954249 714177286 /nfs/dbraw/zinc/17/72/86/714177286.db2.gz MGEVUBTYPWZEFA-NWDGAFQWSA-N 1 0 349.410 2.647 20 10 EFCDRO CC(C)CC[NH+]1CC([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970954870 714178469 /nfs/dbraw/zinc/17/84/69/714178469.db2.gz QMNNVBCYYYHIRA-ZDUSSCGKSA-N 1 0 345.447 2.945 20 10 EFCDRO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1C[NH+](CCC2CC2)C1 ZINC000970955653 714180746 /nfs/dbraw/zinc/18/07/46/714180746.db2.gz XQLRHOASNQHSSZ-GFCCVEGCSA-N 1 0 343.431 2.699 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)c3ccon3)C2)cc1C ZINC000980941057 717981542 /nfs/dbraw/zinc/98/15/42/717981542.db2.gz QOVMOYLYVRJVNI-CVEARBPZSA-N 1 0 343.427 2.822 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)NCc2cccs2)[NH+](C)C)cc1 ZINC000022418337 714585383 /nfs/dbraw/zinc/58/53/83/714585383.db2.gz PIFQWMDHUVOSPA-KRWDZBQOSA-N 1 0 346.500 2.916 20 10 EFCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000157834480 714680422 /nfs/dbraw/zinc/68/04/22/714680422.db2.gz BUZUCXZYWHIZNY-HXUWFJFHSA-N 1 0 344.430 2.660 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(F)F)C2)cc1C ZINC001022037534 714681834 /nfs/dbraw/zinc/68/18/34/714681834.db2.gz QSSZCTQWVRQPNO-XGUBFFRZSA-N 1 0 338.398 2.642 20 10 EFCDRO COc1ccc(C[N@H+](C)C[C@H]2COc3ccccc3O2)c(O)c1OC ZINC000891483925 714778524 /nfs/dbraw/zinc/77/85/24/714778524.db2.gz XTKGNAAUPQQJDQ-AWEZNQCLSA-N 1 0 345.395 2.681 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)C(F)F)C2)cc1C ZINC000980281337 718015912 /nfs/dbraw/zinc/01/59/12/718015912.db2.gz YYYNUBXCWFMFOS-TZMCWYRMSA-N 1 0 326.387 2.595 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c(O)c1OC ZINC000891700556 714960595 /nfs/dbraw/zinc/96/05/95/714960595.db2.gz ZZAZFCFYBAIYMX-LBPRGKRZSA-N 1 0 349.349 2.953 20 10 EFCDRO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c(O)c1OC ZINC000891722409 714975542 /nfs/dbraw/zinc/97/55/42/714975542.db2.gz XTCGBNJAZIAAMU-AWEZNQCLSA-N 1 0 331.412 2.792 20 10 EFCDRO COc1ccc(C[N@@H+]2CCN(C)c3ccccc3C2)c(O)c1OC ZINC000891924525 715159077 /nfs/dbraw/zinc/15/90/77/715159077.db2.gz PIPBDVZGQNCLAZ-UHFFFAOYSA-N 1 0 328.412 2.861 20 10 EFCDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000326738630 715220490 /nfs/dbraw/zinc/22/04/90/715220490.db2.gz ULGCDFMRMUMFJY-MRXNPFEDSA-N 1 0 328.412 2.911 20 10 EFCDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(OC)c(OC)c2O)cc1 ZINC000892044385 715232137 /nfs/dbraw/zinc/23/21/37/715232137.db2.gz IYIFTNDRADZGSW-MRXNPFEDSA-N 1 0 347.411 2.583 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cccnc3C)C2)cc1C ZINC001022627649 715262858 /nfs/dbraw/zinc/26/28/58/715262858.db2.gz DLGAKUXPUUEEAB-CALCHBBNSA-N 1 0 339.439 2.758 20 10 EFCDRO COCC[N@H+](Cc1ccc(C)o1)Cc1ccc(OC)c(OC)c1O ZINC000892124874 715264498 /nfs/dbraw/zinc/26/44/98/715264498.db2.gz CFVZZGNQOWYAJZ-UHFFFAOYSA-N 1 0 335.400 2.959 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000892133144 715267911 /nfs/dbraw/zinc/26/79/11/715267911.db2.gz IXTAQUITEOFMKQ-GOSISDBHSA-N 1 0 332.492 2.768 20 10 EFCDRO CCc1ncoc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001022683854 715302380 /nfs/dbraw/zinc/30/23/80/715302380.db2.gz QOYDKENRAIPHHS-GASCZTMLSA-N 1 0 343.427 2.605 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c(O)c1OC ZINC000892508514 718042758 /nfs/dbraw/zinc/04/27/58/718042758.db2.gz UBOYKZIMJQKZTO-CQSZACIVSA-N 1 0 337.803 2.886 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c(O)c1OC ZINC000893435707 715394497 /nfs/dbraw/zinc/39/44/97/715394497.db2.gz UUPWMZOZFOGCOE-IZHWHUGBSA-N 1 0 349.452 2.619 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccnc(C[NH3+])c1 ZINC000326982831 715685427 /nfs/dbraw/zinc/68/54/27/715685427.db2.gz VKJGPGXGUBTGHR-UHFFFAOYSA-N 1 0 338.455 2.803 20 10 EFCDRO COc1cc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c(O)cc1C ZINC000160375274 724437087 /nfs/dbraw/zinc/43/70/87/724437087.db2.gz JKFQGQBRMDGLCB-QGZVFWFLSA-N 1 0 335.444 2.869 20 10 EFCDRO CCc1cccc(NC(=O)C[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000894989248 723043352 /nfs/dbraw/zinc/04/33/52/723043352.db2.gz YEVGXQJAFVLGGO-UHFFFAOYSA-N 1 0 344.411 2.700 20 10 EFCDRO [O-]c1c(F)cc(Br)cc1C[NH2+]CCO[C@H]1CCCCO1 ZINC000894795198 722848849 /nfs/dbraw/zinc/84/88/49/722848849.db2.gz SYLUNICULHCLJK-ZDUSSCGKSA-N 1 0 348.212 2.927 20 10 EFCDRO CCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001027698921 716561508 /nfs/dbraw/zinc/56/15/08/716561508.db2.gz UPJJYWUQXYSBFY-HNNXBMFYSA-N 1 0 331.420 2.795 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)C=C(C)C)CCO2)cc1C ZINC000979191595 716788585 /nfs/dbraw/zinc/78/85/85/716788585.db2.gz YNBZVLDJJXMKJE-QFBILLFUSA-N 1 0 346.471 2.675 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c2c1c(F)ccc2O ZINC000840875332 716805764 /nfs/dbraw/zinc/80/57/64/716805764.db2.gz CUFMGAKZRWJSAD-PWSUYJOCSA-N 1 0 329.437 2.883 20 10 EFCDRO COC(=O)C1(C[NH2+]Cc2ccc(OC)c(OC)c2O)CCCCC1 ZINC000893536232 716821165 /nfs/dbraw/zinc/82/11/65/716821165.db2.gz RQLHPWUXEYLDQF-UHFFFAOYSA-N 1 0 337.416 2.623 20 10 EFCDRO C/C=C(\C)C(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000979237187 716824369 /nfs/dbraw/zinc/82/43/69/716824369.db2.gz BTBOKPVEJILBCS-DWYXIKFYSA-N 1 0 346.471 2.675 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000840928865 716991866 /nfs/dbraw/zinc/99/18/66/716991866.db2.gz CYLJDULGPIPMJB-UHFFFAOYSA-N 1 0 325.456 2.809 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)C(C)(F)F)C2)cc1C ZINC001023800294 717044774 /nfs/dbraw/zinc/04/47/74/717044774.db2.gz CAQWCJPHIUFLSK-OAHLLOKOSA-N 1 0 340.414 2.987 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)c3cc[nH]c3)C2)cc1C ZINC001024002009 717186688 /nfs/dbraw/zinc/18/66/88/717186688.db2.gz UHLLMBIVELVENS-KRWDZBQOSA-N 1 0 341.455 2.974 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)c3ccon3)C2)cc1C ZINC000980410212 717227061 /nfs/dbraw/zinc/22/70/61/717227061.db2.gz MUBNYTKMGLOUFD-ZBFHGGJFSA-N 1 0 343.427 2.632 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)c3cocn3)C2)cc1C ZINC000980434457 717275609 /nfs/dbraw/zinc/27/56/09/717275609.db2.gz GLJUINKQMYULMN-GDBMZVCRSA-N 1 0 343.427 2.632 20 10 EFCDRO COc1ccc(C[NH+]2CCC(c3nccc(C)n3)CC2)c(O)c1OC ZINC000893561078 717277483 /nfs/dbraw/zinc/27/74/83/717277483.db2.gz FIYZJOHYUCJFMI-UHFFFAOYSA-N 1 0 343.427 2.887 20 10 EFCDRO C/C(=C/c1ccco1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893608247 717375894 /nfs/dbraw/zinc/37/58/94/717375894.db2.gz UFUUHNRYIWFXGF-PEZBUJJGSA-N 1 0 339.439 2.751 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1C ZINC000310068960 717418956 /nfs/dbraw/zinc/41/89/56/717418956.db2.gz GVZLHLKOWWWNCC-QLPKVWCKSA-N 1 0 332.444 2.959 20 10 EFCDRO CCC[N@H+](Cc1cc2c(cc1O)CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000179435362 717461943 /nfs/dbraw/zinc/46/19/43/717461943.db2.gz UZJFSXYEXHAHDY-QGZVFWFLSA-N 1 0 337.485 2.670 20 10 EFCDRO COc1ccc(C[NH2+]CCc2ccc3c(c2)OCCO3)c(O)c1OC ZINC000892440983 717464399 /nfs/dbraw/zinc/46/43/99/717464399.db2.gz XUNRMZAGJFUGHD-UHFFFAOYSA-N 1 0 345.395 2.513 20 10 EFCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000304305226 724450904 /nfs/dbraw/zinc/45/09/04/724450904.db2.gz PEZSEDYMHRKAPP-GOSISDBHSA-N 1 0 332.469 2.582 20 10 EFCDRO COc1ccc(C[NH2+]CCCn2cnc3ccccc32)c(O)c1OC ZINC000892455158 717580432 /nfs/dbraw/zinc/58/04/32/717580432.db2.gz SXKUOCUITPWHHL-UHFFFAOYSA-N 1 0 341.411 2.939 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)C(F)F)C2)cc1C ZINC000980841519 717822326 /nfs/dbraw/zinc/82/23/26/717822326.db2.gz LVAWVBSPOBFRMS-KBPBESRZSA-N 1 0 326.387 2.786 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](C)N2CCc3ccccc32)c(O)c1OC ZINC000892509685 718060667 /nfs/dbraw/zinc/06/06/67/718060667.db2.gz ANXJJSAFTCHNKF-CQSZACIVSA-N 1 0 342.439 2.950 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)c3ncc[nH]3)C2)cc1C ZINC000981075042 718110601 /nfs/dbraw/zinc/11/06/01/718110601.db2.gz HHXIWKMDENQMJP-HZPDHXFCSA-N 1 0 342.443 2.558 20 10 EFCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000066191445 718144888 /nfs/dbraw/zinc/14/48/88/718144888.db2.gz AKKSKRDVNPXDEJ-OAHLLOKOSA-N 1 0 332.492 2.599 20 10 EFCDRO CC[NH+](CC)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000066406242 718220111 /nfs/dbraw/zinc/22/01/11/718220111.db2.gz LYRNUKWNLDMKBE-LJQANCHMSA-N 1 0 347.503 2.602 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(OC(C)C)nc2)c(O)c1OC ZINC000892599894 718326438 /nfs/dbraw/zinc/32/64/38/718326438.db2.gz DFIKIIYGJFWGOV-UHFFFAOYSA-N 1 0 332.400 2.881 20 10 EFCDRO CCCOc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)cn1 ZINC000892603962 718331889 /nfs/dbraw/zinc/33/18/89/718331889.db2.gz WBUFSXJFZFHMAN-UHFFFAOYSA-N 1 0 332.400 2.883 20 10 EFCDRO COc1cccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)c1OC ZINC000892633216 718359515 /nfs/dbraw/zinc/35/95/15/718359515.db2.gz ZTGJASLNSZPVLO-UHFFFAOYSA-N 1 0 333.384 2.716 20 10 EFCDRO C[C@H]([NH2+]CCOc1cccnc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000169083563 718836412 /nfs/dbraw/zinc/83/64/12/718836412.db2.gz GUIFMCRXPMMKPX-HNNXBMFYSA-N 1 0 345.418 2.787 20 10 EFCDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000840891448 718941709 /nfs/dbraw/zinc/94/17/09/718941709.db2.gz TYNYETPDQZHSKS-NXEZZACHSA-N 1 0 329.238 2.718 20 10 EFCDRO C[C@H]([NH2+]Cc1cnn(C)c1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000892730347 719061232 /nfs/dbraw/zinc/06/12/32/719061232.db2.gz GQWAKBWCFQWULW-HNNXBMFYSA-N 1 0 340.471 2.985 20 10 EFCDRO COc1ccc(C[NH2+]CCc2ccc(NC(C)=O)cc2)c(O)c1OC ZINC000892905934 719270832 /nfs/dbraw/zinc/27/08/32/719270832.db2.gz MHXCPZJYYYUDLG-UHFFFAOYSA-N 1 0 344.411 2.700 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCc3nc(C)ncc32)c(O)c1OC ZINC000892949239 719315494 /nfs/dbraw/zinc/31/54/94/719315494.db2.gz OKAHJCWECVANQU-AWEZNQCLSA-N 1 0 329.400 2.675 20 10 EFCDRO CCO[C@H]1C[C@]([NH3+])(C(=O)N(CC)Cc2ccc(N(C)C)cc2)C1(C)C ZINC000328533712 719323899 /nfs/dbraw/zinc/32/38/99/719323899.db2.gz QUSYIKYCBXAOOI-PXNSSMCTSA-N 1 0 347.503 2.634 20 10 EFCDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N(CC)Cc2ccc(N(C)C)cc2)C1(C)C ZINC000328533714 719324105 /nfs/dbraw/zinc/32/41/05/719324105.db2.gz QUSYIKYCBXAOOI-XLIONFOSSA-N 1 0 347.503 2.634 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(C)nc3)C2)cc1C ZINC001019992485 719427123 /nfs/dbraw/zinc/42/71/23/719427123.db2.gz GMPHRIONMXJXIS-IYARVYRRSA-N 1 0 339.439 2.758 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccccc2Cl)c(O)c1OC ZINC000893011684 719455434 /nfs/dbraw/zinc/45/54/34/719455434.db2.gz LSAZWXJXVQAAIT-CQSZACIVSA-N 1 0 337.803 2.886 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000893052234 719541380 /nfs/dbraw/zinc/54/13/80/719541380.db2.gz DOCXEFNIISAYRX-UHFFFAOYSA-N 1 0 344.503 2.877 20 10 EFCDRO Cc1cccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1O ZINC000179559837 719816134 /nfs/dbraw/zinc/81/61/34/719816134.db2.gz DPXFUMAITPOFLV-UHFFFAOYSA-N 1 0 327.384 2.931 20 10 EFCDRO COc1cc(O)c(CN(C)Cc2nc3ccccc3n2C)cc1OC ZINC000180228683 719914799 /nfs/dbraw/zinc/91/47/99/719914799.db2.gz BIJCWQFUVFMINS-UHFFFAOYSA-N 1 0 341.411 2.928 20 10 EFCDRO Cc1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1O ZINC000180344285 719925675 /nfs/dbraw/zinc/92/56/75/719925675.db2.gz BCOZGBXEVBGTDA-AWEZNQCLSA-N 1 0 328.372 2.690 20 10 EFCDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000237403834 720000524 /nfs/dbraw/zinc/00/05/24/720000524.db2.gz HYXSZRLYFSOMEL-HNNXBMFYSA-N 1 0 346.450 2.593 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000182350156 720118952 /nfs/dbraw/zinc/11/89/52/720118952.db2.gz PPMXWAYIDWODNZ-LLVKDONJSA-N 1 0 345.355 2.598 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)NCC3([NH+](C)C)CC3)cc2)CC1 ZINC000917524162 728750793 /nfs/dbraw/zinc/75/07/93/728750793.db2.gz XRWXGHDDFATHSG-UHFFFAOYSA-N 1 0 344.503 2.816 20 10 EFCDRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCCSc1nccs1 ZINC000182992932 720201881 /nfs/dbraw/zinc/20/18/81/720201881.db2.gz RTALZZPABFOMDM-RYUDHWBXSA-N 1 0 334.532 2.571 20 10 EFCDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCCSc1nccs1 ZINC000182992947 720202042 /nfs/dbraw/zinc/20/20/42/720202042.db2.gz RTALZZPABFOMDM-VXGBXAGGSA-N 1 0 334.532 2.571 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1OC ZINC000893249195 720248118 /nfs/dbraw/zinc/24/81/18/720248118.db2.gz SDOIPNJTOSHOAR-OIRASMEMSA-N 1 0 349.452 2.998 20 10 EFCDRO CC[C@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)[C@@H](CC)CN1C(C)=O ZINC000894053321 720253040 /nfs/dbraw/zinc/25/30/40/720253040.db2.gz JBHLGVFVNBSIRC-IRXDYDNUSA-N 1 0 334.460 2.931 20 10 EFCDRO COc1cc(C)cc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1O ZINC000894072560 720267226 /nfs/dbraw/zinc/26/72/26/720267226.db2.gz KZAXMEHTYKETCC-HNNXBMFYSA-N 1 0 333.350 2.844 20 10 EFCDRO COc1ccc(N2CCN(C(=O)C[N@H+]3[C@H](C)CCC[C@@H]3C)CC2)cc1 ZINC000015467297 720354690 /nfs/dbraw/zinc/35/46/90/720354690.db2.gz KOJHCKCQAJAOLI-CALCHBBNSA-N 1 0 345.487 2.607 20 10 EFCDRO COc1ccc(COCC[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000893296853 720496130 /nfs/dbraw/zinc/49/61/30/720496130.db2.gz FKKXNFCQKRCTSH-UHFFFAOYSA-N 1 0 347.411 2.724 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CC(=O)NCc1cccs1 ZINC000840915393 720928682 /nfs/dbraw/zinc/92/86/82/720928682.db2.gz QMAMJYRNCBHCBE-UHFFFAOYSA-N 1 0 331.485 2.871 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C[C@@H]3CCCO3)C2)cc1C ZINC001026703989 720946906 /nfs/dbraw/zinc/94/69/06/720946906.db2.gz PONMHIONXSHNRO-ROUUACIJSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1cc(C)cc(C[NH2+]Cc2cccc(C(=O)N(C)C)c2)c1O ZINC000894166228 721025018 /nfs/dbraw/zinc/02/50/18/721025018.db2.gz WKYWAVQFOVIGIT-UHFFFAOYSA-N 1 0 328.412 2.701 20 10 EFCDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000195007632 721086945 /nfs/dbraw/zinc/08/69/45/721086945.db2.gz SYRFLMPKGVCGFT-LIRRHRJNSA-N 1 0 340.423 2.585 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCCO3)C2)cc1C ZINC001026786220 721106717 /nfs/dbraw/zinc/10/67/17/721106717.db2.gz WLGANYKAGPQZSR-PKOBYXMFSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC3(C)C)C2)cc1C ZINC001026788178 721116133 /nfs/dbraw/zinc/11/61/33/721116133.db2.gz CQMIIUPTXULHQK-IRXDYDNUSA-N 1 0 330.472 2.988 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@H](C)C(=O)NCc2ccccc2)c1O ZINC000894201299 721195722 /nfs/dbraw/zinc/19/57/22/721195722.db2.gz XZVNCEPHYFMLQW-CQSZACIVSA-N 1 0 328.412 2.504 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@H](O)COc2cccc(C)c2)c1O ZINC000894202035 721196758 /nfs/dbraw/zinc/19/67/58/721196758.db2.gz BVBWMGKIHDMWRU-INIZCTEOSA-N 1 0 331.412 2.547 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCC(=O)NCc2ccccc2)c1O ZINC000894211146 721256177 /nfs/dbraw/zinc/25/61/77/721256177.db2.gz MLEGGVOSJDAABA-UHFFFAOYSA-N 1 0 328.412 2.505 20 10 EFCDRO COc1cccc2c1OC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)C2 ZINC000894224484 721304700 /nfs/dbraw/zinc/30/47/00/721304700.db2.gz FYPZTMGCBZUKOJ-OAHLLOKOSA-N 1 0 329.396 2.811 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)cc1C ZINC001027012349 721501911 /nfs/dbraw/zinc/50/19/11/721501911.db2.gz MLKQRTNUHFCNGA-YRXWBPOGSA-N 1 0 342.483 2.988 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCc2cccc(C(=O)N(C)C)c2)c1O ZINC000894266275 721793826 /nfs/dbraw/zinc/79/38/26/721793826.db2.gz KYOMRBIMCRLPRY-UHFFFAOYSA-N 1 0 342.439 2.743 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CC(C)(C)N2CCC(OC)CC2)c1O ZINC000894273635 721875984 /nfs/dbraw/zinc/87/59/84/721875984.db2.gz QHJYDRBKYLSKMG-UHFFFAOYSA-N 1 0 336.476 2.688 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)C[C@@H]3CCCO3)C2)cc1C ZINC000983232344 721920279 /nfs/dbraw/zinc/92/02/79/721920279.db2.gz ZGSVNRQKKANVDI-BZSNNMDCSA-N 1 0 346.471 2.557 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000729045503 724806785 /nfs/dbraw/zinc/80/67/85/724806785.db2.gz WAOAQKDDJDASKI-ZDUSSCGKSA-N 1 0 335.448 2.635 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1O ZINC000894305124 722029238 /nfs/dbraw/zinc/02/92/38/722029238.db2.gz WSIIFWOBQUYYTM-RHSMWYFYSA-N 1 0 340.423 2.993 20 10 EFCDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCCSc1nccs1 ZINC000841856082 722099182 /nfs/dbraw/zinc/09/91/82/722099182.db2.gz GKERYXFYBJYIQW-GFCCVEGCSA-N 1 0 330.523 2.640 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1O ZINC000894331121 722105423 /nfs/dbraw/zinc/10/54/23/722105423.db2.gz BRVPAMODXQQUFB-ZWKOTPCHSA-N 1 0 348.487 2.567 20 10 EFCDRO CC[NH2+]CC1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000841857249 722620694 /nfs/dbraw/zinc/62/06/94/722620694.db2.gz NWSRYEXXLIEFMF-UHFFFAOYSA-N 1 0 342.534 2.656 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CC[N@H+](C/C=C/Cl)C2)cc1 ZINC001029013693 722638535 /nfs/dbraw/zinc/63/85/35/722638535.db2.gz GABFKEBOQJPFSN-JZPSKYGBSA-N 1 0 349.822 2.653 20 10 EFCDRO CC[C@H](C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029014178 722639757 /nfs/dbraw/zinc/63/97/57/722639757.db2.gz QULPEXBHFKRXLC-KBPBESRZSA-N 1 0 345.447 2.947 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CC2)c1O ZINC000894791088 722845623 /nfs/dbraw/zinc/84/56/23/722845623.db2.gz ZUFQYTDVHUTJAD-INIZCTEOSA-N 1 0 348.443 2.952 20 10 EFCDRO Oc1cccc(Br)c1C[NH2+]CCO[C@H]1CCCCO1 ZINC000894792660 722851838 /nfs/dbraw/zinc/85/18/38/722851838.db2.gz CFNRLKLJDGPOEJ-AWEZNQCLSA-N 1 0 330.222 2.788 20 10 EFCDRO COc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c(O)c1OC ZINC000894899878 723018322 /nfs/dbraw/zinc/01/83/22/723018322.db2.gz BWEJAMCLDXRPFU-HOTGVXAUSA-N 1 0 329.396 2.717 20 10 EFCDRO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c(O)c1OC ZINC000894899876 723018332 /nfs/dbraw/zinc/01/83/32/723018332.db2.gz BWEJAMCLDXRPFU-CVEARBPZSA-N 1 0 329.396 2.717 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@@H](COC(N)=O)Cc2ccccc2)c1O ZINC000894993582 723044516 /nfs/dbraw/zinc/04/45/16/723044516.db2.gz YZDYZWITRMWPTD-MRXNPFEDSA-N 1 0 344.411 2.919 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000895006193 723046970 /nfs/dbraw/zinc/04/69/70/723046970.db2.gz YERCCNDDIHAQIO-UXHICEINSA-N 1 0 337.467 2.762 20 10 EFCDRO Cc1nnc([C@@H]2CC[N@H+](Cc3c(O)cccc3Br)C2)[nH]1 ZINC000895013079 723050443 /nfs/dbraw/zinc/05/04/43/723050443.db2.gz XPWSCIZKLWCPMQ-SNVBAGLBSA-N 1 0 337.221 2.571 20 10 EFCDRO Cc1nnc([C@@H]2CC[N@H+](Cc3cc(Br)ccc3O)C2)[nH]1 ZINC000895008198 723052378 /nfs/dbraw/zinc/05/23/78/723052378.db2.gz PCUHFVXHNBJKLF-SNVBAGLBSA-N 1 0 337.221 2.571 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CC23CCC3)[NH+](C)C)cc1 ZINC000896318301 723250998 /nfs/dbraw/zinc/25/09/98/723250998.db2.gz FWPLXBACKPHZST-IAGOWNOFSA-N 1 0 330.476 2.597 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CC23CCC3)[NH+](C)C)cc1 ZINC000896318303 723251033 /nfs/dbraw/zinc/25/10/33/723251033.db2.gz FWPLXBACKPHZST-SJORKVTESA-N 1 0 330.476 2.597 20 10 EFCDRO COc1ccc(C[N@H+](C)C[C@@]2(O)CCc3ccccc32)c(O)c1OC ZINC000895090350 723257495 /nfs/dbraw/zinc/25/74/95/723257495.db2.gz MFEMNTAUFHIDLN-FQEVSTJZSA-N 1 0 343.423 2.675 20 10 EFCDRO COc1ccc(C[NH+]2CCC(Cc3noc(C)n3)CC2)c(O)c1OC ZINC000896548597 723365261 /nfs/dbraw/zinc/36/52/61/723365261.db2.gz XAOOKQIDTWFIRR-UHFFFAOYSA-N 1 0 347.415 2.556 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC(Cc3noc(C)n3)CC2)c(O)c1 ZINC000896550471 723369001 /nfs/dbraw/zinc/36/90/01/723369001.db2.gz AQRHXCDGXBTQKC-UHFFFAOYSA-N 1 0 331.416 2.937 20 10 EFCDRO COc1c(O)c(C[NH2+][C@H](c2ccccn2)C2CC2)ccc1[N+](=O)[O-] ZINC000896612145 723401568 /nfs/dbraw/zinc/40/15/68/723401568.db2.gz HVZOYJNNUJPAFP-HNNXBMFYSA-N 1 0 329.356 2.945 20 10 EFCDRO CC[N@H+](CCC(N)=O)Cc1ccc(OCc2ccccc2)cc1O ZINC000896711359 723448601 /nfs/dbraw/zinc/44/86/01/723448601.db2.gz HCNZFFCBKUSHOD-UHFFFAOYSA-N 1 0 328.412 2.669 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)Cc3ccco3)C2)cc1C ZINC000984943937 723570271 /nfs/dbraw/zinc/57/02/71/723570271.db2.gz HZJDTTOSJAEMOJ-QAQDUYKDSA-N 1 0 342.439 2.824 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCC[C@H]3C)CC2)cc1 ZINC000237273763 723570591 /nfs/dbraw/zinc/57/05/91/723570591.db2.gz FTCQWIXJJKNEEO-YLJYHZDGSA-N 1 0 331.504 2.986 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000237274124 723570970 /nfs/dbraw/zinc/57/09/70/723570970.db2.gz ZHJBMUKSXGGLBV-MSOLQXFVSA-N 1 0 331.504 2.986 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCC[C@H]3C)CC2)cc1 ZINC000237274063 723571030 /nfs/dbraw/zinc/57/10/30/723571030.db2.gz FTCQWIXJJKNEEO-XLIONFOSSA-N 1 0 331.504 2.986 20 10 EFCDRO CCOC(=O)CC[N@H+](Cc1ccc(OC)c(OC)c1O)C(C)C ZINC000895226765 723894013 /nfs/dbraw/zinc/89/40/13/723894013.db2.gz OYQQCEPKLVZMOM-UHFFFAOYSA-N 1 0 325.405 2.573 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CCNC(=O)O3)CC2)cc1 ZINC000897020105 723948667 /nfs/dbraw/zinc/94/86/67/723948667.db2.gz XRETUEJUBFQNRH-UHFFFAOYSA-N 1 0 331.460 2.997 20 10 EFCDRO NC(=O)Cc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000727468165 724060967 /nfs/dbraw/zinc/06/09/67/724060967.db2.gz FSSYSYTVUDFCAL-UHFFFAOYSA-N 1 0 337.467 2.995 20 10 EFCDRO Cn1ccc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000727470326 724061798 /nfs/dbraw/zinc/06/17/98/724061798.db2.gz QXCFIRLJNNKEMW-UHFFFAOYSA-N 1 0 336.386 2.780 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2COc3cc(F)ccc3C2)c(O)c1OC ZINC000895380179 724090486 /nfs/dbraw/zinc/09/04/86/724090486.db2.gz HGOVGSVYIQSOJF-CQSZACIVSA-N 1 0 333.359 2.642 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)c(O)c1OC ZINC000895383081 724095450 /nfs/dbraw/zinc/09/54/50/724095450.db2.gz GUUWHZACSGAHGZ-OAHLLOKOSA-N 1 0 334.460 2.906 20 10 EFCDRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3ccccc3O)C2)cc1F ZINC000895504451 724163724 /nfs/dbraw/zinc/16/37/24/724163724.db2.gz UNJWRGRWVDWVQO-AWEZNQCLSA-N 1 0 330.359 2.823 20 10 EFCDRO CCCC[C@H](C(=O)OC)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000727585400 724184816 /nfs/dbraw/zinc/18/48/16/724184816.db2.gz AIHQDNGEGMENDX-GOSISDBHSA-N 1 0 334.460 2.939 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(N2CCNC2=O)cc1 ZINC000895605717 724227297 /nfs/dbraw/zinc/22/72/97/724227297.db2.gz UVESZOHVKJCBDB-UHFFFAOYSA-N 1 0 338.455 2.880 20 10 EFCDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1cccc(OCC)c1O)C(F)(F)F ZINC000895705591 724265431 /nfs/dbraw/zinc/26/54/31/724265431.db2.gz BFDWETJUGZFPLS-WHLNPGIBSA-N 1 0 349.349 2.724 20 10 EFCDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1cccc(OCC)c1O)C(F)(F)F ZINC000895705592 724265498 /nfs/dbraw/zinc/26/54/98/724265498.db2.gz BFDWETJUGZFPLS-XVJNWHFHSA-N 1 0 349.349 2.724 20 10 EFCDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1ccc(OC)c(C)c1)C(F)(F)F ZINC000895706812 724266216 /nfs/dbraw/zinc/26/62/16/724266216.db2.gz IMKHJFZJFHYVGK-ZPIQOJFGSA-N 1 0 333.350 2.937 20 10 EFCDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1cccc(CC)c1O)C(F)(F)F ZINC000895716501 724276378 /nfs/dbraw/zinc/27/63/78/724276378.db2.gz IRZPOSXYEKOSKP-XVJNWHFHSA-N 1 0 333.350 2.888 20 10 EFCDRO CCO/C=C\[C@](O)(C[NH2+]Cc1cc(C)cc(OC)c1O)C(F)(F)F ZINC000895717303 724276885 /nfs/dbraw/zinc/27/68/85/724276885.db2.gz NFVCLKNHSTUPRS-YVACAVLKSA-N 1 0 349.349 2.642 20 10 EFCDRO CCO/C=C\[C@](O)(C[NH2+]Cc1cc(C)c(C)cc1O)C(F)(F)F ZINC000895708709 724279036 /nfs/dbraw/zinc/27/90/36/724279036.db2.gz VLHPUUQOEJTSSJ-YVACAVLKSA-N 1 0 333.350 2.942 20 10 EFCDRO CCO/C=C\[C@](O)(C[NH2+]Cc1ccc2c(c1)CCO2)C(F)(F)F ZINC000895709303 724279860 /nfs/dbraw/zinc/27/98/60/724279860.db2.gz ZDRVXLQDZIBNSJ-LYASGUKUSA-N 1 0 331.334 2.555 20 10 EFCDRO CC(C)OC(=O)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000895827817 724327185 /nfs/dbraw/zinc/32/71/85/724327185.db2.gz CJGPXIPBBLBDNV-UHFFFAOYSA-N 1 0 346.471 2.687 20 10 EFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000895813157 724328635 /nfs/dbraw/zinc/32/86/35/724328635.db2.gz DUUXDPOKNCGOKL-NZSAHSFTSA-N 1 0 327.472 2.667 20 10 EFCDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)OC ZINC000895813673 724328641 /nfs/dbraw/zinc/32/86/41/724328641.db2.gz LPHGTYGRJPCBJQ-DNVCBOLYSA-N 1 0 347.503 2.539 20 10 EFCDRO COC(=O)c1ccccc1CC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000897310798 724357717 /nfs/dbraw/zinc/35/77/17/724357717.db2.gz GNQMJNAUBIANPF-UHFFFAOYSA-N 1 0 345.395 2.528 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(C)(F)F)[C@@H]2C)cc1C ZINC000985876169 724938509 /nfs/dbraw/zinc/93/85/09/724938509.db2.gz ZHAWPKPXTHATHU-OCCSQVGLSA-N 1 0 326.387 2.738 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccncc3)[C@H]2C)cc1C ZINC000985881064 724945317 /nfs/dbraw/zinc/94/53/17/724945317.db2.gz YVZRQWCYRNYXSB-YJBOKZPZSA-N 1 0 339.439 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ncoc3C)[C@@H]2C)cc1C ZINC000986022030 725012640 /nfs/dbraw/zinc/01/26/40/725012640.db2.gz DWDALRILYCIPRG-CZUORRHYSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cscn3)[C@H]2C)cc1C ZINC000986057023 725027221 /nfs/dbraw/zinc/02/72/21/725027221.db2.gz TWSTUQGDFMUWAA-ZFWWWQNUSA-N 1 0 345.468 2.853 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1O ZINC000154824257 728931062 /nfs/dbraw/zinc/93/10/62/728931062.db2.gz DHZKXQJIWLORJU-INIZCTEOSA-N 1 0 332.444 2.529 20 10 EFCDRO CCC/C=C/C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000730235663 725513909 /nfs/dbraw/zinc/51/39/09/725513909.db2.gz LBJGRGPOWVLLTD-VOTSOKGWSA-N 1 0 333.451 2.940 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3ccco3)[C@H]2C)cc1C ZINC000987223873 725597550 /nfs/dbraw/zinc/59/75/50/725597550.db2.gz MYKGYMRNSNYSBY-YJBOKZPZSA-N 1 0 342.439 2.918 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3nccs3)[C@@H]2C)cc1C ZINC000987230762 725601878 /nfs/dbraw/zinc/60/18/78/725601878.db2.gz SLKNKVYOYKOYBO-HIFRSBDPSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3nocc3C)[C@H]2C)cc1C ZINC000987318662 725643160 /nfs/dbraw/zinc/64/31/60/725643160.db2.gz LYBAEYGVUAZIHE-HOCLYGCPSA-N 1 0 343.427 2.693 20 10 EFCDRO Cc1cc(C(=O)CN2CC[C@@H](CO)C2)c(C)n1-c1cccc(C)c1 ZINC000174706554 725707682 /nfs/dbraw/zinc/70/76/82/725707682.db2.gz VIEMXMQEQFDFAX-QGZVFWFLSA-N 1 0 326.440 2.899 20 10 EFCDRO C[C@@H]1[C@H]([NH2+]CCC2CC2)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000987584172 725766563 /nfs/dbraw/zinc/76/65/63/725766563.db2.gz INTMNKQGGVBRPZ-MLGOLLRUSA-N 1 0 343.431 2.842 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C(C)(F)F)C2)cc1C ZINC000987754902 725839888 /nfs/dbraw/zinc/83/98/88/725839888.db2.gz LEIRBNJQXITGAJ-OCCSQVGLSA-N 1 0 326.387 2.738 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3ccco3)C2)cc1C ZINC000987793824 725850981 /nfs/dbraw/zinc/85/09/81/725850981.db2.gz KIJOOWAHOYMYKG-GOEBONIOSA-N 1 0 328.412 2.989 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3ccccn3)C2)cc1C ZINC000987799607 725853665 /nfs/dbraw/zinc/85/36/65/725853665.db2.gz SBHARKAGQBOZBH-DOTOQJQBSA-N 1 0 339.439 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3ccncc3)C2)cc1C ZINC000987804423 725858035 /nfs/dbraw/zinc/85/80/35/725858035.db2.gz VNSTUNMSOMXTEF-QAPCUYQASA-N 1 0 339.439 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3cccnc3)C2)cc1C ZINC000987813564 725863820 /nfs/dbraw/zinc/86/38/20/725863820.db2.gz NEGMJXYPBVIRCF-QAPCUYQASA-N 1 0 339.439 2.791 20 10 EFCDRO CC1CC[NH+](CCNC(=O)NCCCSc2nccs2)CC1 ZINC000152172524 725967826 /nfs/dbraw/zinc/96/78/26/725967826.db2.gz UGBSXGPYLXBCLM-UHFFFAOYSA-N 1 0 342.534 2.656 20 10 EFCDRO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(C3OCCO3)CC2)c1 ZINC000152288839 725989028 /nfs/dbraw/zinc/98/90/28/725989028.db2.gz KOGCSMFXKOLNKH-UHFFFAOYSA-N 1 0 335.444 2.980 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3ccoc3)C2)cc1C ZINC000988068163 726054811 /nfs/dbraw/zinc/05/48/11/726054811.db2.gz JCZDLWGRLUERMJ-PBHICJAKSA-N 1 0 328.412 2.989 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000152546660 726157558 /nfs/dbraw/zinc/15/75/58/726157558.db2.gz NBSSSVUDZCACTC-KDOFPFPSSA-N 1 0 332.419 2.982 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3ncoc3C)C2)cc1C ZINC000988299659 726163139 /nfs/dbraw/zinc/16/31/39/726163139.db2.gz YPPRNKKDCJNHPY-XJKSGUPXSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C3=COCCC3)C2)cc1C ZINC000988310919 726165257 /nfs/dbraw/zinc/16/52/57/726165257.db2.gz OHXCBJHPIXKTQW-YJBOKZPZSA-N 1 0 344.455 2.777 20 10 EFCDRO CCOC(=O)c1coc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000897522762 726402360 /nfs/dbraw/zinc/40/23/60/726402360.db2.gz OHOKSVJEDUYLRI-INIZCTEOSA-N 1 0 346.431 2.632 20 10 EFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCCSc1nccs1 ZINC000153464343 726861601 /nfs/dbraw/zinc/86/16/01/726861601.db2.gz RONOJFRROSKKSM-ZDUSSCGKSA-N 1 0 342.534 2.799 20 10 EFCDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000915228673 726906826 /nfs/dbraw/zinc/90/68/26/726906826.db2.gz RFYXDSOMIHVAOP-OAHLLOKOSA-N 1 0 343.431 2.960 20 10 EFCDRO CC[NH+]1CCN(Cc2ccc(NC(=O)C3=CC(=O)CS3)cc2)CC1 ZINC000731869495 726949762 /nfs/dbraw/zinc/94/97/62/726949762.db2.gz JTSWWGXVTNZKEN-UHFFFAOYSA-N 1 0 345.468 2.844 20 10 EFCDRO CN(C(=O)/C=C/c1cncc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732006950 726975695 /nfs/dbraw/zinc/97/56/95/726975695.db2.gz VMWCLHVXMMCCRZ-RUDMXATFSA-N 1 0 343.402 2.837 20 10 EFCDRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)C1=CC(=O)CS1 ZINC000732300847 727015183 /nfs/dbraw/zinc/01/51/83/727015183.db2.gz UROOSXXIFBIWHN-UHFFFAOYSA-N 1 0 346.452 2.858 20 10 EFCDRO C[NH+](C)CCCOc1ccc(CNC(=O)C2=CC(=O)CS2)cc1 ZINC000732287279 727016170 /nfs/dbraw/zinc/01/61/70/727016170.db2.gz SDQFPPBDAWTIIT-UHFFFAOYSA-N 1 0 334.441 2.714 20 10 EFCDRO CNC(=O)c1ccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000732410467 727072534 /nfs/dbraw/zinc/07/25/34/727072534.db2.gz ATEFGYAHSGFEMT-UHFFFAOYSA-N 1 0 341.455 2.623 20 10 EFCDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000732456272 727086384 /nfs/dbraw/zinc/08/63/84/727086384.db2.gz FZWMGBNREVFITL-GOSISDBHSA-N 1 0 344.503 2.741 20 10 EFCDRO COc1cc(C)cc(C[N@H+](C)C[C@H]2COc3ccccc3O2)c1O ZINC000915825351 727177538 /nfs/dbraw/zinc/17/75/38/727177538.db2.gz XJPXUBWUIGVJRI-HNNXBMFYSA-N 1 0 329.396 2.981 20 10 EFCDRO O=C(NCc1ccc(O)cc1O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000910952161 727472837 /nfs/dbraw/zinc/47/28/37/727472837.db2.gz QTOBBVOTTYCCLC-QGZVFWFLSA-N 1 0 340.423 2.626 20 10 EFCDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000912810624 727746936 /nfs/dbraw/zinc/74/69/36/727746936.db2.gz WWEFUQCAKSXNFH-LUXYIKNCSA-N 1 0 332.444 2.690 20 10 EFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(Cl)o3)cc2)C1 ZINC000917394263 727800249 /nfs/dbraw/zinc/80/02/49/727800249.db2.gz FSHHADVWKRUZFI-AWEZNQCLSA-N 1 0 347.846 2.925 20 10 EFCDRO C[C@@H](NC(=O)NCCCSc1nccs1)C(C)(C)C[NH+](C)C ZINC000154418683 727814595 /nfs/dbraw/zinc/81/45/95/727814595.db2.gz ZEVPXUZHERSRBQ-GFCCVEGCSA-N 1 0 344.550 2.901 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)C1CCCCC1)cc2=O ZINC000182941398 727885776 /nfs/dbraw/zinc/88/57/76/727885776.db2.gz RNVGGOCTPLHRHS-GFCCVEGCSA-N 1 0 346.431 2.670 20 10 EFCDRO CC[NH+]1CCC(C[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000222048384 727915720 /nfs/dbraw/zinc/91/57/20/727915720.db2.gz UNXWGCKEFZOMOC-UHFFFAOYSA-N 1 0 327.266 2.976 20 10 EFCDRO CC(C)C[N@H+](CC(N)=O)Cc1ccc(OCc2ccccc2)cc1O ZINC000182998975 727916852 /nfs/dbraw/zinc/91/68/52/727916852.db2.gz SCRFFNYLKWGHFT-UHFFFAOYSA-N 1 0 342.439 2.915 20 10 EFCDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000045172964 727983193 /nfs/dbraw/zinc/98/31/93/727983193.db2.gz ZDSDOXIFMVIEIS-UHFFFAOYSA-N 1 0 325.817 2.739 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)c1 ZINC000182326928 728083832 /nfs/dbraw/zinc/08/38/32/728083832.db2.gz ZIKAYVKQGUFVMG-LBPRGKRZSA-N 1 0 325.368 2.562 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCc2ccc(C)cc2)c1 ZINC000182364127 728118105 /nfs/dbraw/zinc/11/81/05/728118105.db2.gz GEUIMNSDNXHSNI-AWEZNQCLSA-N 1 0 328.412 2.676 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)c1 ZINC000182387554 728131097 /nfs/dbraw/zinc/13/10/97/728131097.db2.gz BBRANPLLSACTRR-LLVKDONJSA-N 1 0 343.383 2.772 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COCc2ccccc2)c1 ZINC000182394034 728134485 /nfs/dbraw/zinc/13/44/85/728134485.db2.gz NDEWAPSYYDQANO-HOCLYGCPSA-N 1 0 331.412 2.629 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2cccc(C(C)=O)c2)c1 ZINC000182396050 728134857 /nfs/dbraw/zinc/13/48/57/728134857.db2.gz KAEUCHBMDPKNRZ-GFCCVEGCSA-N 1 0 342.395 2.893 20 10 EFCDRO C[C@@H](CCn1cccn1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000157663597 728184118 /nfs/dbraw/zinc/18/41/18/728184118.db2.gz INEWCNBHLGBILK-IRXDYDNUSA-N 1 0 328.460 2.849 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157817562 728217993 /nfs/dbraw/zinc/21/79/93/728217993.db2.gz KOIMLMIWNSOXAW-QAPCUYQASA-N 1 0 347.478 2.797 20 10 EFCDRO COc1ccc(O)c(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)c1 ZINC000182591477 728257938 /nfs/dbraw/zinc/25/79/38/728257938.db2.gz LQDSJDVUZHTCRP-UHFFFAOYSA-N 1 0 342.317 2.983 20 10 EFCDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC000071700705 728329282 /nfs/dbraw/zinc/32/92/82/728329282.db2.gz XLRXBKWTFMYMRS-KRWDZBQOSA-N 1 0 331.847 2.884 20 10 EFCDRO CN(CC1CC[NH+](C)CC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171742161 728551028 /nfs/dbraw/zinc/55/10/28/728551028.db2.gz XSLVOPBBGNVPBH-UHFFFAOYSA-N 1 0 344.503 2.770 20 10 EFCDRO COc1ccc(O)c(CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000172064115 728564243 /nfs/dbraw/zinc/56/42/43/728564243.db2.gz CLPSEJPJTVSYLD-CQSZACIVSA-N 1 0 349.456 2.564 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@H](OC)C3CC3)CC2)cc1C ZINC000991926592 728606822 /nfs/dbraw/zinc/60/68/22/728606822.db2.gz NWXWEEQFKAIZFP-LJQANCHMSA-N 1 0 346.471 2.509 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1C(C)C ZINC000172934537 728611038 /nfs/dbraw/zinc/61/10/38/728611038.db2.gz DPOCFBLVLWPLCO-KRWDZBQOSA-N 1 0 332.488 2.978 20 10 EFCDRO Cc1cc(C(=O)N2CC[NH+](CC3CC3)CC2)c(C)n1-c1ccccn1 ZINC000063779359 728646454 /nfs/dbraw/zinc/64/64/54/728646454.db2.gz FXGBKBBBTKDMSO-UHFFFAOYSA-N 1 0 338.455 2.657 20 10 EFCDRO C[C@@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)C[NH+]1CCCC1 ZINC000174115793 728648820 /nfs/dbraw/zinc/64/88/20/728648820.db2.gz BMDWQBQMSSFEBG-HNNXBMFYSA-N 1 0 345.487 2.802 20 10 EFCDRO Cc1noc(C)c1CN1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000064111651 728671558 /nfs/dbraw/zinc/67/15/58/728671558.db2.gz GEWBOTJXKCUQIU-UHFFFAOYSA-N 1 0 329.444 2.932 20 10 EFCDRO COc1ccc(N2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)cc1 ZINC000181513128 729005079 /nfs/dbraw/zinc/00/50/79/729005079.db2.gz NAFLZWYWXSXZEK-UHFFFAOYSA-N 1 0 334.460 2.939 20 10 EFCDRO Cn1cc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cn1 ZINC000920181324 729155450 /nfs/dbraw/zinc/15/54/50/729155450.db2.gz NRVBPYPAJGGECU-UHFFFAOYSA-N 1 0 329.404 2.608 20 10 EFCDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000921077445 729257659 /nfs/dbraw/zinc/25/76/59/729257659.db2.gz JOGSAVGOHVBEOC-AWEZNQCLSA-N 1 0 328.460 2.949 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)c3cocn3)C2)cc1C ZINC000994835253 729577715 /nfs/dbraw/zinc/57/77/15/729577715.db2.gz QLCLNALZJGSEHC-HZPDHXFCSA-N 1 0 343.427 2.680 20 10 EFCDRO C[C@H](NC(=O)CCCCCC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000237595944 729578148 /nfs/dbraw/zinc/57/81/48/729578148.db2.gz BBUXBPIAQNRGHF-INIZCTEOSA-N 1 0 333.476 2.610 20 10 EFCDRO O=C1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1c1c(F)cccc1F ZINC000180222163 729711083 /nfs/dbraw/zinc/71/10/83/729711083.db2.gz KLNMXRWWTWZQJG-AWEZNQCLSA-N 1 0 344.361 2.795 20 10 EFCDRO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000180954772 729773208 /nfs/dbraw/zinc/77/32/08/729773208.db2.gz XJFHIAPRLVULDT-IGKXFLDPSA-N 1 0 344.386 2.669 20 10 EFCDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000189017654 1126077526 /nfs/dbraw/zinc/07/75/26/1126077526.db2.gz PAMIBFOBUPEJHN-HXUWFJFHSA-N 1 0 340.467 2.525 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)cc1OC ZINC000835072719 1126111339 /nfs/dbraw/zinc/11/13/39/1126111339.db2.gz HCNVSIKHGBCHNL-QGZVFWFLSA-N 1 0 345.439 2.719 20 10 EFCDRO CN(C)c1cc(F)c(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1F ZINC000858154454 1126112758 /nfs/dbraw/zinc/11/27/58/1126112758.db2.gz ILPNWFPUZHQCQZ-HNNXBMFYSA-N 1 0 338.373 2.863 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1O ZINC001353585495 1126183588 /nfs/dbraw/zinc/18/35/88/1126183588.db2.gz WSZWXSFGJVOLRR-MRXNPFEDSA-N 1 0 340.423 2.884 20 10 EFCDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC001576138574 1088954232 /nfs/dbraw/zinc/95/42/32/1088954232.db2.gz IVFIVAWPGJRNGW-BEFAXECRSA-N 1 0 345.512 2.933 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N(C)CC2CC[NH2+]CC2)cc1 ZINC001577699392 1090134375 /nfs/dbraw/zinc/13/43/75/1090134375.db2.gz BEDBJAWHYXIARB-UHFFFAOYSA-N 1 0 332.492 2.674 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)/C=C/COc2ccccc2)cc1 ZINC001578424849 1090369616 /nfs/dbraw/zinc/36/96/16/1090369616.db2.gz ZCVDFLLXKRZSRY-MBNRZODZSA-N 1 0 339.439 2.504 20 10 EFCDRO CN(C)c1ccc(CN(C(=O)CC[C@@H]2COC(C)(C)[NH2+]2)C2CC2)cc1 ZINC001578425611 1090369837 /nfs/dbraw/zinc/36/98/37/1090369837.db2.gz IQIKROAJBFTBRV-MRXNPFEDSA-N 1 0 345.487 2.748 20 10 EFCDRO C[NH2+]C1CCN(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001578604307 1090408587 /nfs/dbraw/zinc/40/85/87/1090408587.db2.gz HHIJANYFIJWFER-UHFFFAOYSA-N 1 0 340.471 2.988 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3C[NH2+]CC34CC4)c2C)cc1 ZINC001579185239 1090537944 /nfs/dbraw/zinc/53/79/44/1090537944.db2.gz HDCYGEBBIZBQBS-GOSISDBHSA-N 1 0 339.439 2.585 20 10 EFCDRO COc1ccc(CN2CC[NH2+]C[C@H]2c2cccc(F)c2)c(O)c1OC ZINC001579213052 1090549035 /nfs/dbraw/zinc/54/90/35/1090549035.db2.gz CCGQPSWEWUDTCK-INIZCTEOSA-N 1 0 346.402 2.695 20 10 EFCDRO COc1cccc(CNC(=O)[C@@H]2CCCCC23CC[NH2+]CC3)c1O ZINC001579278015 1090575942 /nfs/dbraw/zinc/57/59/42/1090575942.db2.gz SDKZDUTXZZFRFV-HNNXBMFYSA-N 1 0 332.444 2.577 20 10 EFCDRO Cc1cc(CC(=O)N[C@H]2CC[NH2+]C2)c(C)n1-c1ccc(Cl)cc1 ZINC001579589473 1090637646 /nfs/dbraw/zinc/63/76/46/1090637646.db2.gz IIJABGLVBADMIE-INIZCTEOSA-N 1 0 331.847 2.768 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001579589701 1090638406 /nfs/dbraw/zinc/63/84/06/1090638406.db2.gz NBEOSBXKTOGOPE-DYVFJYSZSA-N 1 0 339.439 2.777 20 10 EFCDRO Cc1cc(CCNC(=O)[C@H](C)[NH2+]C2CC2)c(C)n1-c1ccccc1 ZINC001579593235 1090638663 /nfs/dbraw/zinc/63/86/63/1090638663.db2.gz XFVUKDUNYISQJS-HNNXBMFYSA-N 1 0 325.456 2.893 20 10 EFCDRO Cc1cc(CNC(=O)NC[C@H]2CCC[NH2+]C2)c(C)n1-c1ccccc1 ZINC001579602119 1090640240 /nfs/dbraw/zinc/64/02/40/1090640240.db2.gz UWYVJPPNRYNHSN-KRWDZBQOSA-N 1 0 340.471 2.893 20 10 EFCDRO Cc1cc(CNC(=O)N[C@@H]2CCC[NH2+]C2)c(C)n1-c1ccccc1 ZINC001579602094 1090640347 /nfs/dbraw/zinc/64/03/47/1090640347.db2.gz UIYZJWGLUOYUTO-QGZVFWFLSA-N 1 0 326.444 2.645 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC[C@H]([NH3+])C(C)C)ccc1C ZINC001579662741 1090656435 /nfs/dbraw/zinc/65/64/35/1090656435.db2.gz XYQGPEMUBRGEOI-SFHVURJKSA-N 1 0 341.455 2.928 20 10 EFCDRO [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC001580185316 1090805342 /nfs/dbraw/zinc/80/53/42/1090805342.db2.gz WRPLCWPMVXOXPM-NVXWUHKLSA-N 1 0 342.842 2.903 20 10 EFCDRO [NH3+][C@@H]1CCc2ccccc2N(C(=O)/C=C/c2cnc3ccccc3n2)C1 ZINC001580205871 1090809285 /nfs/dbraw/zinc/80/92/85/1090809285.db2.gz ZETHZXYHUILKQZ-LPQFERQCSA-N 1 0 344.418 2.950 20 10 EFCDRO Nc1cccc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC001580457177 1090907220 /nfs/dbraw/zinc/90/72/20/1090907220.db2.gz NJUFKUOFUPOCPX-UHFFFAOYSA-N 1 0 333.382 2.673 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(OC)c1)c1ccccc1O ZINC001590467219 1093437857 /nfs/dbraw/zinc/43/78/57/1093437857.db2.gz SVIKNZSYGFWZMM-OAHLLOKOSA-N 1 0 339.399 2.822 20 10 EFCDRO CCCC[N@H+](Cc1ccccc1O)Cc1ccncc1-c1nn[nH]n1 ZINC001590603716 1093512764 /nfs/dbraw/zinc/51/27/64/1093512764.db2.gz FKSWVHUWBCOQJE-UHFFFAOYSA-N 1 0 338.415 2.770 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCc3cc(-c4nn[nH]n4)ccc32)cc1C ZINC001591596716 1093785792 /nfs/dbraw/zinc/78/57/92/1093785792.db2.gz FVFBFAUNMWZKOF-KRWDZBQOSA-N 1 0 335.411 2.961 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1O ZINC001591633946 1093807327 /nfs/dbraw/zinc/80/73/27/1093807327.db2.gz URFGXAHNCVUDJG-VXGBXAGGSA-N 1 0 339.399 2.993 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1O ZINC001591633945 1093809064 /nfs/dbraw/zinc/80/90/64/1093809064.db2.gz URFGXAHNCVUDJG-RYUDHWBXSA-N 1 0 339.399 2.993 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(C)c1 ZINC001591995802 1093951543 /nfs/dbraw/zinc/95/15/43/1093951543.db2.gz ZTAUNDPKENRGJJ-UHFFFAOYSA-N 1 0 336.443 2.839 20 10 EFCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)c(Cl)c1 ZINC001592055722 1093968886 /nfs/dbraw/zinc/96/88/86/1093968886.db2.gz AZFYOCUQJOAYDF-UHFFFAOYSA-N 1 0 347.781 2.963 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c(O)c1 ZINC001592135491 1093993299 /nfs/dbraw/zinc/99/32/99/1093993299.db2.gz ILWYJVTUBJVYGE-LLVKDONJSA-N 1 0 327.363 2.871 20 10 EFCDRO COc1ccc(N2CC[NH+](Cc3cccc4nonc43)CC2)c(C)c1 ZINC001203143669 1095827228 /nfs/dbraw/zinc/82/72/28/1095827228.db2.gz ZUWCEAPLUZOEIW-UHFFFAOYSA-N 1 0 338.411 2.862 20 10 EFCDRO COc1cc(C[NH2+][C@H](C)c2ccc(C)cc2O)ccc1-c1nn[nH]n1 ZINC001605219235 1097055935 /nfs/dbraw/zinc/05/59/35/1097055935.db2.gz XDQWXBMQLQDPKR-GFCCVEGCSA-N 1 0 339.399 2.740 20 10 EFCDRO Cc1cc(O)c(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c(Cl)c1 ZINC001605744241 1097212607 /nfs/dbraw/zinc/21/26/07/1097212607.db2.gz FTFIBEDVRJUPDN-UHFFFAOYSA-N 1 0 347.781 2.963 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)c1 ZINC001605876029 1097262243 /nfs/dbraw/zinc/26/22/43/1097262243.db2.gz ZIZLSOYDRNUITA-WBMJQRKESA-N 1 0 335.411 2.699 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)c1 ZINC001605876027 1097262412 /nfs/dbraw/zinc/26/24/12/1097262412.db2.gz ZIZLSOYDRNUITA-LRDDRELGSA-N 1 0 335.411 2.699 20 10 EFCDRO c1cc(N2CCCCC2)ccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cn1 ZINC001607119356 1097523910 /nfs/dbraw/zinc/52/39/10/1097523910.db2.gz CFUWWUPPGPXISS-UHFFFAOYSA-N 1 0 349.442 2.542 20 10 EFCDRO C[N@@H+]1CCC[C@]2(CCCN(C(=O)c3cc4cc(O)c(O)cc4[nH]3)C2)C1 ZINC001269476660 1098168752 /nfs/dbraw/zinc/16/87/52/1098168752.db2.gz KJBMGVGLQBGKKW-IBGZPJMESA-N 1 0 343.427 2.527 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3ccc(-c4nn[nH]n4)cc32)cc1 ZINC001609270782 1098233436 /nfs/dbraw/zinc/23/34/36/1098233436.db2.gz YSIRWALEPQZYFQ-GOSISDBHSA-N 1 0 334.427 2.710 20 10 EFCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(Cl)c2)cc1 ZINC001609270618 1098233484 /nfs/dbraw/zinc/23/34/84/1098233484.db2.gz LTRIYVKKDQDZEY-UHFFFAOYSA-N 1 0 342.834 2.876 20 10 EFCDRO CCOc1ccc(N2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)cc1 ZINC000008697256 1099026264 /nfs/dbraw/zinc/02/62/64/1099026264.db2.gz YELBWNDHXPAHCV-HXUWFJFHSA-N 1 0 340.467 2.811 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001270703813 1099466402 /nfs/dbraw/zinc/46/64/02/1099466402.db2.gz SBRUQACYEPDEJO-FJVHFBRSSA-N 1 0 342.439 2.586 20 10 EFCDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000843780931 1100557478 /nfs/dbraw/zinc/55/74/78/1100557478.db2.gz LTSFVWPLXWPFPH-LUAWRHEFSA-N 1 0 340.423 2.831 20 10 EFCDRO COc1ccc(N2CC[NH+](C[C@H]3COC4(CCCCC4)O3)CC2)cc1 ZINC001208636464 1101419764 /nfs/dbraw/zinc/41/97/64/1101419764.db2.gz POQDMSVDBSFSMN-IBGZPJMESA-N 1 0 346.471 2.893 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H](C)OC)cc1C ZINC001087129560 1101497932 /nfs/dbraw/zinc/49/79/32/1101497932.db2.gz BTUFZMNLEKFUMB-KYJSFNMBSA-N 1 0 348.487 2.755 20 10 EFCDRO CSc1ncc(F)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001167423286 1101574505 /nfs/dbraw/zinc/57/45/05/1101574505.db2.gz UNLYNFRREMLEGO-UHFFFAOYSA-N 1 0 347.463 2.702 20 10 EFCDRO Cc1cnc(Cl)nc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167422990 1101574739 /nfs/dbraw/zinc/57/47/39/1101574739.db2.gz JKHKYYRGQLKWDB-UHFFFAOYSA-N 1 0 331.851 2.802 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ccc4c(c3)COC4=O)cc2)CC1 ZINC001167431039 1101610712 /nfs/dbraw/zinc/61/07/12/1101610712.db2.gz CHDNSFVUIOYEFF-UHFFFAOYSA-N 1 0 337.423 2.721 20 10 EFCDRO COCCNC(=O)C1([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000840824562 1101758349 /nfs/dbraw/zinc/75/83/49/1101758349.db2.gz KQUHMTKPKJOJQY-MRXNPFEDSA-N 1 0 345.487 2.623 20 10 EFCDRO CC[NH+](CC)CCN(CC(C)C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403939 1101901158 /nfs/dbraw/zinc/90/11/58/1101901158.db2.gz LBHNJOQYUVLEMX-NTMALXAHSA-N 1 0 334.460 2.937 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cc(C(C)C)n[nH]2)cc1C ZINC001167157810 1101955973 /nfs/dbraw/zinc/95/59/73/1101955973.db2.gz WUMZBSLDXKWVHY-UHFFFAOYSA-N 1 0 344.459 2.760 20 10 EFCDRO CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001075366511 1101975797 /nfs/dbraw/zinc/97/57/97/1101975797.db2.gz FIJYYTSDYWQMOS-OCCSQVGLSA-N 1 0 331.420 2.557 20 10 EFCDRO O=C1CC[C@@]2(CCC[N@@H+](Cc3c(O)cccc3Br)C2)O1 ZINC001140103724 1102132530 /nfs/dbraw/zinc/13/25/30/1102132530.db2.gz STGLGKIVSGRVNJ-OAHLLOKOSA-N 1 0 340.217 2.826 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)CC[C@@H]2CCCCO2)cc1C ZINC001167480175 1102291465 /nfs/dbraw/zinc/29/14/65/1102291465.db2.gz VYWZWXHHZWAGJL-SFHVURJKSA-N 1 0 348.487 2.949 20 10 EFCDRO COc1cc(C[N@@H+]2CCCN(c3nc(C)ns3)CC2)c(O)cc1C ZINC000160310619 1102466402 /nfs/dbraw/zinc/46/64/02/1102466402.db2.gz ZRIIDNUIGBUFNP-UHFFFAOYSA-N 1 0 348.472 2.581 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCO[C@H](c2nccn2C)C1 ZINC000840952550 1102549251 /nfs/dbraw/zinc/54/92/51/1102549251.db2.gz DXEBQGCPKXUYEC-AEFFLSMTSA-N 1 0 328.460 2.804 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3cccc(F)c3)C1)[C@H](O)CO2 ZINC000784028545 1103387976 /nfs/dbraw/zinc/38/79/76/1103387976.db2.gz OMIGQQVWQXLGDZ-CRAIPNDOSA-N 1 0 345.370 2.610 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)C[C@@H](C)OC)cc1C ZINC001661909704 1103499083 /nfs/dbraw/zinc/49/90/83/1103499083.db2.gz FNCJHKFNHZPJJQ-SJLPKXTDSA-N 1 0 348.487 2.899 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2)N(C)C)cc1 ZINC000905704285 1103512478 /nfs/dbraw/zinc/51/24/78/1103512478.db2.gz MTIWINVUFWCHBA-WOJBJXKFSA-N 1 0 345.462 2.818 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]C[C@H](O)c2cccc(F)c2)N(C)C)cc1 ZINC000905705907 1103518146 /nfs/dbraw/zinc/51/81/46/1103518146.db2.gz SHIKTZDBVALLTL-PMACEKPBSA-N 1 0 345.462 2.818 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]C[C@@H](O)c2ccccc2F)N(C)C)cc1 ZINC000905705857 1103518167 /nfs/dbraw/zinc/51/81/67/1103518167.db2.gz RUZDPJUVRAYQMC-VQTJNVASSA-N 1 0 345.462 2.818 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c(O)c(C(C)(C)C)c1 ZINC000905696144 1103545105 /nfs/dbraw/zinc/54/51/05/1103545105.db2.gz VVOIJHZSIFGXLA-CYBMUJFWSA-N 1 0 335.444 2.893 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000841655377 1104342670 /nfs/dbraw/zinc/34/26/70/1104342670.db2.gz RMGVWXTUWDICCA-SFHVURJKSA-N 1 0 344.503 2.672 20 10 EFCDRO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000729681214 1104772390 /nfs/dbraw/zinc/77/23/90/1104772390.db2.gz XQTUABUKKJNEDU-INIZCTEOSA-N 1 0 326.440 2.950 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3coc(C)n3)C2)cc1C ZINC000988690663 1105020382 /nfs/dbraw/zinc/02/03/82/1105020382.db2.gz GELJCJCITKFCMG-XJKSGUPXSA-N 1 0 343.427 2.693 20 10 EFCDRO Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c(C)n1-c1ccccn1 ZINC000237428073 1105132187 /nfs/dbraw/zinc/13/21/87/1105132187.db2.gz BSFATTQBTZSIJN-CXAGYDPISA-N 1 0 326.444 2.689 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]CC[C@@H]3CCCC[C@@H]3O)cc2)CC1 ZINC000897533284 1105218147 /nfs/dbraw/zinc/21/81/47/1105218147.db2.gz BXLVETZXDUEJGO-PXNSSMCTSA-N 1 0 332.488 2.679 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3ccsn3)C2)cc1C ZINC000989030421 1105446309 /nfs/dbraw/zinc/44/63/09/1105446309.db2.gz RKALJFQIHUCYKL-ZFWWWQNUSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](Cc3nc(C)no3)C2)cc1OC ZINC000897579357 1105777670 /nfs/dbraw/zinc/77/76/70/1105777670.db2.gz UQIMNEUDJWGUKE-CYBMUJFWSA-N 1 0 347.415 2.556 20 10 EFCDRO [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001142508789 1106029758 /nfs/dbraw/zinc/02/97/58/1106029758.db2.gz LKJPNQPBZDYERV-ZDUSSCGKSA-N 1 0 325.277 2.950 20 10 EFCDRO CC1CCC([NH+]2CCN(C(=O)NCCc3ccc(N)cc3)CC2)CC1 ZINC000841955315 1106042184 /nfs/dbraw/zinc/04/21/84/1106042184.db2.gz ZBEDJGXWOWVIQN-UHFFFAOYSA-N 1 0 344.503 2.717 20 10 EFCDRO CCC[NH2+]CCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000841962482 1106054287 /nfs/dbraw/zinc/05/42/87/1106054287.db2.gz ZZICETILMNCOAM-UHFFFAOYSA-N 1 0 332.492 2.818 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000841966023 1106058783 /nfs/dbraw/zinc/05/87/83/1106058783.db2.gz NUCURUFRWGYIOT-GOSISDBHSA-N 1 0 330.476 2.556 20 10 EFCDRO CC[N@H+](CCC(=O)NC)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000897709623 1106059827 /nfs/dbraw/zinc/05/98/27/1106059827.db2.gz HJGLLKKSWALNPO-UHFFFAOYSA-N 1 0 348.447 2.543 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000841970447 1106070310 /nfs/dbraw/zinc/07/03/10/1106070310.db2.gz ZMJQSQRYHBJTIN-UHFFFAOYSA-N 1 0 332.492 2.674 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000841980841 1106076458 /nfs/dbraw/zinc/07/64/58/1106076458.db2.gz IETMPLQLLPZLQY-IAGOWNOFSA-N 1 0 332.492 2.943 20 10 EFCDRO C[C@H]1C[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)CC[NH2+]1 ZINC000841985672 1106095898 /nfs/dbraw/zinc/09/58/98/1106095898.db2.gz KJDMAPROFJYWOW-HOCLYGCPSA-N 1 0 343.427 2.838 20 10 EFCDRO COc1cccc(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)c1O ZINC000841998429 1106127658 /nfs/dbraw/zinc/12/76/58/1106127658.db2.gz VAATUNDJZVIRGC-MRXNPFEDSA-N 1 0 343.427 2.680 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000842014987 1106177635 /nfs/dbraw/zinc/17/76/35/1106177635.db2.gz KISFGJNBBQYZDR-DJIMGWMZSA-N 1 0 331.460 2.702 20 10 EFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)C2)cc1 ZINC000898007869 1106178984 /nfs/dbraw/zinc/17/89/84/1106178984.db2.gz UMMMOLIUJMWZGG-QAPCUYQASA-N 1 0 345.487 2.511 20 10 EFCDRO Cc1ncccc1CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000898251911 1106288973 /nfs/dbraw/zinc/28/89/73/1106288973.db2.gz QBSRFRDXTXWYRW-UHFFFAOYSA-N 1 0 325.456 2.683 20 10 EFCDRO COc1cc(O)c(C[NH2+]Cc2c(C)nc3ccccn32)cc1OC ZINC000898276250 1106301054 /nfs/dbraw/zinc/30/10/54/1106301054.db2.gz LXYCKXQTDCGJJA-UHFFFAOYSA-N 1 0 327.384 2.655 20 10 EFCDRO CCC[NH2+]CC1(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001168419011 1106906828 /nfs/dbraw/zinc/90/68/28/1106906828.db2.gz MBGKBFCPQGWHQB-UHFFFAOYSA-N 1 0 331.420 2.749 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3cncs3)CC2)cc1C ZINC000990076891 1107267728 /nfs/dbraw/zinc/26/77/28/1107267728.db2.gz XGKSRGUNCXEFBZ-UHFFFAOYSA-N 1 0 345.468 2.855 20 10 EFCDRO CC[C@@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000929185056 1107374164 /nfs/dbraw/zinc/37/41/64/1107374164.db2.gz LOTMZWSLVHPDEO-QAPCUYQASA-N 1 0 334.460 2.543 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCOC3)CC2)cc1C ZINC000990235562 1107528111 /nfs/dbraw/zinc/52/81/11/1107528111.db2.gz VRLPWFKPYFZLBC-QGZVFWFLSA-N 1 0 346.471 2.511 20 10 EFCDRO CC(C)(C)CC[C@@H]([NH3+])CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000904359567 1107841212 /nfs/dbraw/zinc/84/12/12/1107841212.db2.gz BTYQVUFQCOPTIK-MRXNPFEDSA-N 1 0 337.483 2.906 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)C[C@H]3CCOC3)CC2)cc1C ZINC000990475085 1108056963 /nfs/dbraw/zinc/05/69/63/1108056963.db2.gz ARXFLVAGXKMQHE-QGZVFWFLSA-N 1 0 346.471 2.511 20 10 EFCDRO CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(O)ccc1O ZINC001272385885 1108149422 /nfs/dbraw/zinc/14/94/22/1108149422.db2.gz GUYKPRFZGJHADR-IBGZPJMESA-N 1 0 332.444 2.855 20 10 EFCDRO CC[C@H](C)N1CCC2(CC[NH+](Cc3cc(O)ccc3O)CC2)C1=O ZINC001272387064 1108150298 /nfs/dbraw/zinc/15/02/98/1108150298.db2.gz SFACLOLQHZKZFI-AWEZNQCLSA-N 1 0 332.444 2.711 20 10 EFCDRO CC[C@@H](C)N1CCC2(CC[NH+](Cc3cc(O)ccc3O)CC2)C1=O ZINC001272387065 1108151308 /nfs/dbraw/zinc/15/13/08/1108151308.db2.gz SFACLOLQHZKZFI-CQSZACIVSA-N 1 0 332.444 2.711 20 10 EFCDRO CCC[N@@H+]1CCC[C@@]2(CC(=O)N(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001272462567 1108398412 /nfs/dbraw/zinc/39/84/12/1108398412.db2.gz PQVINUOHIDUKRZ-HXUWFJFHSA-N 1 0 343.471 2.504 20 10 EFCDRO Oc1cccc(Br)c1C[NH2+][C@H]1Cc2ccccc2[C@@H]1O ZINC000898386436 1108910749 /nfs/dbraw/zinc/91/07/49/1108910749.db2.gz YPOJBDJIDRQQDH-HOCLYGCPSA-N 1 0 334.213 2.903 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cccc(F)c2N)N(C)C)cc1 ZINC000898448888 1108942839 /nfs/dbraw/zinc/94/28/39/1108942839.db2.gz YWCYRKRZJCXGQJ-SFHVURJKSA-N 1 0 330.451 2.866 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)CN1C1CC1 ZINC000898449695 1108943099 /nfs/dbraw/zinc/94/30/99/1108943099.db2.gz JGAUFPLXWKVVCQ-OXFYSEKESA-N 1 0 330.520 2.570 20 10 EFCDRO COC(=O)C(C)(C)CC[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898451291 1108944174 /nfs/dbraw/zinc/94/41/74/1108944174.db2.gz WWNXSWFHLRGEAX-KRWDZBQOSA-N 1 0 335.492 2.534 20 10 EFCDRO CCn1nc(C)c(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC000898450344 1108944179 /nfs/dbraw/zinc/94/41/79/1108944179.db2.gz ARUWVXXAVDUEHZ-HXUWFJFHSA-N 1 0 343.519 2.978 20 10 EFCDRO C[C@H](O)c1ncc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000898449931 1108944220 /nfs/dbraw/zinc/94/42/20/1108944220.db2.gz LWHHWGPXIPCJJW-SUMWQHHRSA-N 1 0 348.516 2.655 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1O ZINC000898451026 1108944236 /nfs/dbraw/zinc/94/42/36/1108944236.db2.gz GZYOYWLBKJJGGX-SFHVURJKSA-N 1 0 343.471 2.859 20 10 EFCDRO COc1cccc(O)c1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898451108 1108944266 /nfs/dbraw/zinc/94/42/66/1108944266.db2.gz IFRTZQOYAVVCDV-GOSISDBHSA-N 1 0 343.471 2.859 20 10 EFCDRO CN(C)c1ccc([C@@H](CNCc2cnn(C)c2Cl)[NH+](C)C)cc1 ZINC000898450236 1108944480 /nfs/dbraw/zinc/94/44/80/1108944480.db2.gz PCPWSMAQMQLWIO-MRXNPFEDSA-N 1 0 335.883 2.532 20 10 EFCDRO Cc1ccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c(O)c1 ZINC000898720881 1109062559 /nfs/dbraw/zinc/06/25/59/1109062559.db2.gz NNSHODNBCMFJFI-GFCCVEGCSA-N 1 0 336.233 2.764 20 10 EFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](CO)[C@@H](C)O)cc1 ZINC000842220710 1109195138 /nfs/dbraw/zinc/19/51/38/1109195138.db2.gz HFDIBBFTMFUIQD-OXQOHEQNSA-N 1 0 328.456 2.544 20 10 EFCDRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000842226398 1109200214 /nfs/dbraw/zinc/20/02/14/1109200214.db2.gz NZARTLOFNFIASH-MOPGFXCFSA-N 1 0 348.512 2.996 20 10 EFCDRO CC[C@H]1CCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101368 1109202086 /nfs/dbraw/zinc/20/20/86/1109202086.db2.gz JTUUNFOETMQLGN-WMZOPIPTSA-N 1 0 332.492 2.939 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)CCC2CC2)[NH+](C)C)cc1 ZINC000899105469 1109203495 /nfs/dbraw/zinc/20/34/95/1109203495.db2.gz WWYGQVOEOUAWKB-GOSISDBHSA-N 1 0 332.492 2.797 20 10 EFCDRO CC(C)[C@@H]1CCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100935 1109208359 /nfs/dbraw/zinc/20/83/59/1109208359.db2.gz DDCZUXIBGFUDCN-ROUUACIJSA-N 1 0 332.492 2.795 20 10 EFCDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCCCSc1nccs1 ZINC000153145754 1111131441 /nfs/dbraw/zinc/13/14/41/1111131441.db2.gz OLLPRVZWTKWJKH-LBPRGKRZSA-N 1 0 330.523 2.655 20 10 EFCDRO Cc1cc(O)c(CN2C[C@H]3CCC[C@@]3([NH3+])C2)cc1Br ZINC001235247948 1111703230 /nfs/dbraw/zinc/70/32/30/1111703230.db2.gz IULOXIHWYLTOBW-IUODEOHRSA-N 1 0 325.250 2.776 20 10 EFCDRO CC(C)=CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccccc3O)C2)C1=O ZINC001272618172 1111751906 /nfs/dbraw/zinc/75/19/06/1111751906.db2.gz CFONHJNNIIPBBR-HXUWFJFHSA-N 1 0 342.439 2.700 20 10 EFCDRO O=C1N(CC(F)F)CC[C@]12CCC[N@@H+](Cc1ccccc1O)CC2 ZINC001272618166 1111752195 /nfs/dbraw/zinc/75/21/95/1111752195.db2.gz CFOJVKUTRIYBOF-GOSISDBHSA-N 1 0 338.398 2.862 20 10 EFCDRO O=C1C[C@@]2(CCC[N@@H+](Cc3ccccc3O)C2)C(=O)N1C1CCCC1 ZINC001272619435 1111755381 /nfs/dbraw/zinc/75/53/81/1111755381.db2.gz VRQSBLRMIVTGIW-HXUWFJFHSA-N 1 0 342.439 2.676 20 10 EFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2O)N1Cc1ccncc1 ZINC001272619846 1111755627 /nfs/dbraw/zinc/75/56/27/1111755627.db2.gz ZZIJADAQLQVVPN-QZTJIDSGSA-N 1 0 337.423 2.553 20 10 EFCDRO CC[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC001272622280 1111758836 /nfs/dbraw/zinc/75/88/36/1111758836.db2.gz BVZASSUOJWRXFS-GOEBONIOSA-N 1 0 346.471 2.918 20 10 EFCDRO CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(C)ccc1O)C2 ZINC001272623222 1111760218 /nfs/dbraw/zinc/76/02/18/1111760218.db2.gz XWWQWEIXEDAWAG-UZLBHIALSA-N 1 0 346.471 2.550 20 10 EFCDRO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C)ccc1O ZINC001272623136 1111761733 /nfs/dbraw/zinc/76/17/33/1111761733.db2.gz XPRCOJXJGLYXKH-MGPUTAFESA-N 1 0 344.455 2.635 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@]23CCN(CC=C(C)C)C3=O)c(O)c1 ZINC001272624652 1111763585 /nfs/dbraw/zinc/76/35/85/1111763585.db2.gz AIFFOXIOMHFOTP-HXUWFJFHSA-N 1 0 344.455 2.934 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@]3(CCN(CC=C(C)C)C3=O)C2)c(O)c1 ZINC001272625457 1111764842 /nfs/dbraw/zinc/76/48/42/1111764842.db2.gz KNHOKSUAQRTYKO-FQEVSTJZSA-N 1 0 344.455 2.791 20 10 EFCDRO CC[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(OC)cc1O)CC2 ZINC001272625605 1111766204 /nfs/dbraw/zinc/76/62/04/1111766204.db2.gz MWCFSEWULKGQBD-RHSMWYFYSA-N 1 0 346.471 2.918 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC=C(C)C)c(O)c1 ZINC001272626444 1111767631 /nfs/dbraw/zinc/76/76/31/1111767631.db2.gz XGQQHRUTYUYNOT-QZTJIDSGSA-N 1 0 344.455 2.932 20 10 EFCDRO CC[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cc(OC)ccc2O)C1=O ZINC001272637748 1111788590 /nfs/dbraw/zinc/78/85/90/1111788590.db2.gz NANKNLCTCGFHEC-IFXJQAMLSA-N 1 0 332.444 2.766 20 10 EFCDRO CCCCN1CC[C@@]2(CC[N@H+](Cc3cc(OC)ccc3O)C2)C1=O ZINC001272638815 1111797621 /nfs/dbraw/zinc/79/76/21/1111797621.db2.gz VOVWTAOLYNNWCV-LJQANCHMSA-N 1 0 332.444 2.625 20 10 EFCDRO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(O)c(C)c1O ZINC001272657571 1111931893 /nfs/dbraw/zinc/93/18/93/1111931893.db2.gz HQULBFNWQOLXFX-DAXOMENPSA-N 1 0 332.444 2.770 20 10 EFCDRO CC[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccc(O)c(C)c3O)C2)C1=O ZINC001272658298 1111935290 /nfs/dbraw/zinc/93/52/90/1111935290.db2.gz ZKLISHXCRKVFBN-ORAYPTAESA-N 1 0 332.444 2.629 20 10 EFCDRO CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(O)c(C)c1O)CC2 ZINC001272660786 1111953542 /nfs/dbraw/zinc/95/35/42/1111953542.db2.gz WGFKFXCARVEWPM-INIZCTEOSA-N 1 0 346.471 2.925 20 10 EFCDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)CC(C)(C)C2)cc(OC)n1 ZINC001089431092 1112123359 /nfs/dbraw/zinc/12/33/59/1112123359.db2.gz YRKNLQZGJFFDFC-OAHLLOKOSA-N 1 0 349.475 2.728 20 10 EFCDRO CN(Cc1cc(F)cc(Br)c1[O-])[C@H]1CCCC[C@H]1[NH3+] ZINC001236216693 1112276820 /nfs/dbraw/zinc/27/68/20/1112276820.db2.gz LRDFGJBQTZMHIV-OLZOCXBDSA-N 1 0 331.229 2.996 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2CC([NH+]3CCCC3)C2)c1 ZINC001236666879 1113080941 /nfs/dbraw/zinc/08/09/41/1113080941.db2.gz XHGWARRWLOLGHM-UHFFFAOYSA-N 1 0 325.250 2.743 20 10 EFCDRO CCNC(=O)C[N@H+](CC)Cc1ccc(OCc2ccccc2)cc1O ZINC000182956960 1118680565 /nfs/dbraw/zinc/68/05/65/1118680565.db2.gz AQVMQWTTXYUUFF-UHFFFAOYSA-N 1 0 342.439 2.929 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NC)CC2)c(O)c1 ZINC001272705466 1118711677 /nfs/dbraw/zinc/71/16/77/1118711677.db2.gz AABZGRIPZYRLFT-QGZVFWFLSA-N 1 0 345.487 2.587 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)cc1Br ZINC001237676166 1118790108 /nfs/dbraw/zinc/79/01/08/1118790108.db2.gz GGAWOHAZVFHNRR-STQMWFEESA-N 1 0 332.213 2.758 20 10 EFCDRO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(Br)c(C)cc2O)C1 ZINC001237686106 1118794126 /nfs/dbraw/zinc/79/41/26/1118794126.db2.gz TVSXXGQFBMHSRN-ZDUSSCGKSA-N 1 0 341.249 2.516 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(-c3cnn(C)c3C)no2)c1 ZINC000184723920 1119407993 /nfs/dbraw/zinc/40/79/93/1119407993.db2.gz RNJSZIFYFFSHFB-LLVKDONJSA-N 1 0 342.399 2.949 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C(C)(F)F)CC2(C)C)cc1C ZINC000995359167 1119560811 /nfs/dbraw/zinc/56/08/11/1119560811.db2.gz UFZHKRQXIJSCRF-OAHLLOKOSA-N 1 0 340.414 2.985 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCO3)CC2(C)C)cc1C ZINC000995420911 1119799363 /nfs/dbraw/zinc/79/93/63/1119799363.db2.gz WSNGXCHCSZEWCA-MSOLQXFVSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccc[nH]3)CC2(C)C)cc1C ZINC000995442889 1119887737 /nfs/dbraw/zinc/88/77/37/1119887737.db2.gz NBYICRODIQFUEX-GOSISDBHSA-N 1 0 341.455 2.972 20 10 EFCDRO CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001107057257 1120174095 /nfs/dbraw/zinc/17/40/95/1120174095.db2.gz SYABMMFZKJFGEH-UKRRQHHQSA-N 1 0 345.447 2.947 20 10 EFCDRO CC[C@H](OC)C(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C(C)(C)C1 ZINC000995547490 1120260980 /nfs/dbraw/zinc/26/09/80/1120260980.db2.gz WKIWCWJMERAIJA-WMZOPIPTSA-N 1 0 348.487 2.755 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCN(c3nccc(C(C)C)n3)CC2)c1 ZINC000185656914 1120405092 /nfs/dbraw/zinc/40/50/92/1120405092.db2.gz YZWVDZINJCOGKL-UHFFFAOYSA-N 1 0 342.443 2.636 20 10 EFCDRO CC(C)c1ccnc(N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000185657002 1120405114 /nfs/dbraw/zinc/40/51/14/1120405114.db2.gz XETHVPCOUAUWPJ-UHFFFAOYSA-N 1 0 339.487 2.988 20 10 EFCDRO C[C@H]1C[N@H+](CCCF)CC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945219929 1120678408 /nfs/dbraw/zinc/67/84/08/1120678408.db2.gz DQRCOSKGIJEBOW-SWLSCSKDSA-N 1 0 349.410 2.649 20 10 EFCDRO CC(C)[NH+]1CCC(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000073132589 1120689236 /nfs/dbraw/zinc/68/92/36/1120689236.db2.gz CXDQOWGAVSPXRK-UHFFFAOYSA-N 1 0 329.488 2.806 20 10 EFCDRO CCOCCCNC(=O)C1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000054548528 214245417 /nfs/dbraw/zinc/24/54/17/214245417.db2.gz NKJACFZNOMBRRH-UHFFFAOYSA-N 1 0 348.487 2.764 20 10 EFCDRO CC[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccccc1O ZINC000155338098 529605231 /nfs/dbraw/zinc/60/52/31/529605231.db2.gz UAWGCLIEBXTMNV-KRWDZBQOSA-N 1 0 348.468 2.553 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000174215897 529781389 /nfs/dbraw/zinc/78/13/89/529781389.db2.gz KGQVJQJTUJWAKG-MRXNPFEDSA-N 1 0 348.466 2.519 20 10 EFCDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)cc1C ZINC000040501218 213324054 /nfs/dbraw/zinc/32/40/54/213324054.db2.gz VNCOJBAQFKUQON-UHFFFAOYSA-N 1 0 344.377 2.900 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159655188 239032021 /nfs/dbraw/zinc/03/20/21/239032021.db2.gz LPSVPZFMAQDEJI-OTWHNJEPSA-N 1 0 328.456 2.570 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)cc1OC ZINC000160363653 239049701 /nfs/dbraw/zinc/04/97/01/239049701.db2.gz IOSYKRPLDBZYLW-XMMPIXPASA-N 1 0 349.452 2.779 20 10 EFCDRO COc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000162392370 239089257 /nfs/dbraw/zinc/08/92/57/239089257.db2.gz HZJBDZOBHWNFFQ-OAHLLOKOSA-N 1 0 341.455 2.842 20 10 EFCDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000165169712 239118116 /nfs/dbraw/zinc/11/81/16/239118116.db2.gz YLIMUXUZWNKUFG-AWEZNQCLSA-N 1 0 332.423 2.730 20 10 EFCDRO C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H]([NH3+])c1ccccc1 ZINC000166459317 239124783 /nfs/dbraw/zinc/12/47/83/239124783.db2.gz JVKNQUJAJGAHLO-SCLBCKFNSA-N 1 0 329.419 2.844 20 10 EFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](C)C(C)C)CC2)cc1 ZINC000171914060 239160968 /nfs/dbraw/zinc/16/09/68/239160968.db2.gz SFXYXOWBJWCZRB-KRWDZBQOSA-N 1 0 347.503 2.616 20 10 EFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CC3CCC3)CC2)cc1 ZINC000173133921 239178588 /nfs/dbraw/zinc/17/85/88/239178588.db2.gz YFWZESMGMUOJJZ-UHFFFAOYSA-N 1 0 345.487 2.514 20 10 EFCDRO CC[C@H]([NH2+]C[C@@H]1COCCO1)c1cc(Br)ccc1O ZINC000038060456 213199380 /nfs/dbraw/zinc/19/93/80/213199380.db2.gz ATCWMASNWQFXQG-YPMHNXCESA-N 1 0 330.222 2.611 20 10 EFCDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc3c(cc1O)CCCC3)CC2 ZINC000185317875 239598591 /nfs/dbraw/zinc/59/85/91/239598591.db2.gz TZUFZLQCGUIKRK-BLLLJJGKSA-N 1 0 326.444 2.837 20 10 EFCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192027103 240019852 /nfs/dbraw/zinc/01/98/52/240019852.db2.gz JXQUCKPEHHRYIR-IBGZPJMESA-N 1 0 344.430 2.912 20 10 EFCDRO Oc1ccccc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192356971 240041417 /nfs/dbraw/zinc/04/14/17/240041417.db2.gz VSQAXNHEGAULST-IBGZPJMESA-N 1 0 326.440 2.773 20 10 EFCDRO C[C@@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000237588424 240245178 /nfs/dbraw/zinc/24/51/78/240245178.db2.gz UHUAYPXFHPSREA-OXQOHEQNSA-N 1 0 337.467 2.981 20 10 EFCDRO Cc1cc(C(=O)NCC[NH3+])c(C)n1-c1ccc(Br)cc1 ZINC000237589828 240245988 /nfs/dbraw/zinc/24/59/88/240245988.db2.gz PJQRFNRJBOWOEJ-UHFFFAOYSA-N 1 0 336.233 2.545 20 10 EFCDRO Cc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c(C)n1-c1ccccn1 ZINC000237556727 240246827 /nfs/dbraw/zinc/24/68/27/240246827.db2.gz HQYDAFSXEHZBOZ-WMLDXEAASA-N 1 0 326.444 2.831 20 10 EFCDRO Cc1cc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])c(C)n1-c1ccccn1 ZINC000237773319 240247199 /nfs/dbraw/zinc/24/71/99/240247199.db2.gz SRDLDMOKHGJJEY-RDJZCZTQSA-N 1 0 326.444 2.736 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000195171793 240207750 /nfs/dbraw/zinc/20/77/50/240207750.db2.gz FHKUWORZWYOKNN-FQEVSTJZSA-N 1 0 335.451 2.618 20 10 EFCDRO Cc1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000195266173 240211494 /nfs/dbraw/zinc/21/14/94/240211494.db2.gz JGGHYZXFDBPUAL-GASCZTMLSA-N 1 0 327.403 2.525 20 10 EFCDRO CC[C@@H]([NH2+][C@@H](CCO)COC)c1cc(Br)ccc1O ZINC000229556215 240233819 /nfs/dbraw/zinc/23/38/19/240233819.db2.gz UKBVNQOCVRSGAX-WCQYABFASA-N 1 0 332.238 2.593 20 10 EFCDRO CCOC(=O)C1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000237162877 240238588 /nfs/dbraw/zinc/23/85/88/240238588.db2.gz SVWQRUQXNPAMIX-UHFFFAOYSA-N 1 0 346.471 2.735 20 10 EFCDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000237259367 240240000 /nfs/dbraw/zinc/24/00/00/240240000.db2.gz CNKUDSHQQPKTPM-QGZVFWFLSA-N 1 0 341.455 2.927 20 10 EFCDRO Cc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c(C)n1-c1ccccn1 ZINC000237376492 240243272 /nfs/dbraw/zinc/24/32/72/240243272.db2.gz HQYDAFSXEHZBOZ-PBHICJAKSA-N 1 0 326.444 2.831 20 10 EFCDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000246358533 240267833 /nfs/dbraw/zinc/26/78/33/240267833.db2.gz PULXXVFDERQMIE-VQIMIIECSA-N 1 0 342.487 2.544 20 10 EFCDRO Oc1ccccc1C[N@H+](C[C@@H](O)Cc1ccccc1)C[C@H]1CCCO1 ZINC000247591343 240282529 /nfs/dbraw/zinc/28/25/29/240282529.db2.gz NIHWEDKGRSLJJJ-VQTJNVASSA-N 1 0 341.451 2.977 20 10 EFCDRO CC(C)(C)OC(=O)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000263879775 240390851 /nfs/dbraw/zinc/39/08/51/240390851.db2.gz NURGLHJSZUHLIR-UHFFFAOYSA-N 1 0 335.400 2.675 20 10 EFCDRO COc1cccc(C[NH2+]Cc2ccc(OC)c(OC)c2OC)c1O ZINC000263729234 240388431 /nfs/dbraw/zinc/38/84/31/240388431.db2.gz XSMLRDVOXZGXRE-UHFFFAOYSA-N 1 0 333.384 2.716 20 10 EFCDRO CCOc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000263737533 240389752 /nfs/dbraw/zinc/38/97/52/240389752.db2.gz ZOCBEPKOKLMHRY-QGZVFWFLSA-N 1 0 340.423 2.682 20 10 EFCDRO Cc1cc(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])c(C)n1-c1ccccn1 ZINC000261691482 240318194 /nfs/dbraw/zinc/31/81/94/240318194.db2.gz DXXXFYQNZIRSPM-BBRMVZONSA-N 1 0 326.444 2.689 20 10 EFCDRO Nc1ccc(CC(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)cc1 ZINC000261713714 240318286 /nfs/dbraw/zinc/31/82/86/240318286.db2.gz IVGHYMDJMVVKFU-KRWDZBQOSA-N 1 0 329.831 2.638 20 10 EFCDRO Cc1cc(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])c(C)n1-c1ccccn1 ZINC000261691492 240318575 /nfs/dbraw/zinc/31/85/75/240318575.db2.gz DXXXFYQNZIRSPM-XJKSGUPXSA-N 1 0 326.444 2.689 20 10 EFCDRO C[C@H]([NH2+]CCc1ccncc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000269042746 240563794 /nfs/dbraw/zinc/56/37/94/240563794.db2.gz XNCXDCGGPBNSQM-HNNXBMFYSA-N 1 0 329.419 2.951 20 10 EFCDRO Fc1cc(C[NH2+][C@@H]2CCOC3(CCC3)C2)ccc1N1CCOCC1 ZINC000268949807 240564470 /nfs/dbraw/zinc/56/44/70/240564470.db2.gz CWPOBFZTROKQOG-MRXNPFEDSA-N 1 0 334.435 2.854 20 10 EFCDRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)c1nncn1C ZINC000273593357 240706952 /nfs/dbraw/zinc/70/69/52/240706952.db2.gz PVGDXLQKGBMTEQ-RKDXNWHRSA-N 1 0 325.210 2.695 20 10 EFCDRO C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000280429974 240868766 /nfs/dbraw/zinc/86/87/66/240868766.db2.gz BWGRKJZIKQXZBT-QXAKKESOSA-N 1 0 332.488 2.973 20 10 EFCDRO C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000280879941 240893350 /nfs/dbraw/zinc/89/33/50/240893350.db2.gz DJRCFVFCXIHSEX-WMLDXEAASA-N 1 0 336.451 2.864 20 10 EFCDRO COc1cccc(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)c1O ZINC000288443566 241011304 /nfs/dbraw/zinc/01/13/04/241011304.db2.gz MDMMLDWZKBMRGG-CQSZACIVSA-N 1 0 344.411 2.501 20 10 EFCDRO CCOCc1cc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)ccc1OC ZINC000288455346 241011836 /nfs/dbraw/zinc/01/18/36/241011836.db2.gz DIYMRRPOPIQFOU-XLIONFOSSA-N 1 0 343.423 2.816 20 10 EFCDRO C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+](C2CCC2)C1 ZINC000291645811 241026991 /nfs/dbraw/zinc/02/69/91/241026991.db2.gz KGDJUSUGMMUKEM-MRXNPFEDSA-N 1 0 344.503 2.768 20 10 EFCDRO C[C@@H]([NH2+]CCN1CCC(O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000295982532 241069997 /nfs/dbraw/zinc/06/99/97/241069997.db2.gz OVXBDCPDCAEZPW-MRXNPFEDSA-N 1 0 349.494 2.923 20 10 EFCDRO O=C1[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCCN1CC(F)(F)F ZINC000296664369 241094167 /nfs/dbraw/zinc/09/41/67/241094167.db2.gz FLEQSQOGVOKWPX-NEPJUHHUSA-N 1 0 328.334 2.522 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000297158236 241113229 /nfs/dbraw/zinc/11/32/29/241113229.db2.gz UZDGFHHAHILNFX-ZNXRZULTSA-N 1 0 330.476 2.519 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCCOCCO)cc1 ZINC000295522195 241056567 /nfs/dbraw/zinc/05/65/67/241056567.db2.gz VTIMUIYGRLPDSH-UHFFFAOYSA-N 1 0 334.485 2.873 20 10 EFCDRO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295646307 241059479 /nfs/dbraw/zinc/05/94/79/241059479.db2.gz YVDVEAJOCYPMFB-UHFFFAOYSA-N 1 0 347.503 2.602 20 10 EFCDRO CN(Cc1cccs1)c1ccc(CNC[C@](C)(O)C[NH+](C)C)cc1 ZINC000295673405 241059997 /nfs/dbraw/zinc/05/99/97/241059997.db2.gz KJGIDDMZGNCBSU-IBGZPJMESA-N 1 0 347.528 2.787 20 10 EFCDRO C[C@H]1CN(c2ccc(C[NH2+][C@@H]3CCc4cccc(O)c43)cn2)CCO1 ZINC000295872366 241064716 /nfs/dbraw/zinc/06/47/16/241064716.db2.gz HEXMUFRCAIYTOG-WMLDXEAASA-N 1 0 339.439 2.789 20 10 EFCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CCc4cccc(O)c43)cn2)CCO1 ZINC000295872363 241064883 /nfs/dbraw/zinc/06/48/83/241064883.db2.gz HEXMUFRCAIYTOG-PBHICJAKSA-N 1 0 339.439 2.789 20 10 EFCDRO CN(C)c1ccc(CNC(=O)C[NH2+]C(C)(C)c2ccccc2)cc1 ZINC000298266704 241145640 /nfs/dbraw/zinc/14/56/40/241145640.db2.gz WEKVQBYJOYVHIX-UHFFFAOYSA-N 1 0 325.456 2.894 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298713671 241156181 /nfs/dbraw/zinc/15/61/81/241156181.db2.gz XIWYPMKBFGAKCS-MOPGFXCFSA-N 1 0 342.487 2.713 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000298956785 241164225 /nfs/dbraw/zinc/16/42/25/241164225.db2.gz FWONUOOLSSYDPP-UHFFFAOYSA-N 1 0 332.492 2.816 20 10 EFCDRO C[C@H](CC[NH+](C)C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299371319 241176786 /nfs/dbraw/zinc/17/67/86/241176786.db2.gz MOSDAQBAWVWMLY-OAHLLOKOSA-N 1 0 332.492 2.767 20 10 EFCDRO COc1ccc(O)c([C@@H](C)Nc2nc(C(C)C)nc(N(C)C)n2)c1 ZINC000302012792 241193359 /nfs/dbraw/zinc/19/33/59/241193359.db2.gz XAIKSNXMKNSJRB-LLVKDONJSA-N 1 0 331.420 2.948 20 10 EFCDRO Oc1cccc2c1[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)CC2 ZINC000297744210 241132408 /nfs/dbraw/zinc/13/24/08/241132408.db2.gz OBPRJUJUAZFJGH-LLVKDONJSA-N 1 0 338.333 2.890 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1cc2c(cc1O)CCCC2 ZINC000363866855 242284709 /nfs/dbraw/zinc/28/47/09/242284709.db2.gz JKKIUWOYSHRUEP-PBHICJAKSA-N 1 0 340.471 2.934 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@](C)(O)CC2)c1O ZINC000366245981 242348157 /nfs/dbraw/zinc/34/81/57/242348157.db2.gz ITXSUOULBHVUCY-HNNXBMFYSA-N 1 0 344.249 2.900 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCC34CCOCC4)cc2F)CC1 ZINC000367065002 242374577 /nfs/dbraw/zinc/37/45/77/242374577.db2.gz GPSLNCKXCMTYSB-LJQANCHMSA-N 1 0 348.462 2.836 20 10 EFCDRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000367460674 242382455 /nfs/dbraw/zinc/38/24/55/242382455.db2.gz GYXQNVWRQLGCKB-LEWJYISDSA-N 1 0 343.515 2.708 20 10 EFCDRO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1[C@@H]1CCCO1 ZINC000367940017 242396516 /nfs/dbraw/zinc/39/65/16/242396516.db2.gz BJOPYJWCIVZKDK-OALUTQOASA-N 1 0 330.472 2.913 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c(O)c1 ZINC000373255284 242462852 /nfs/dbraw/zinc/46/28/52/242462852.db2.gz JLMNOHFRZNYDRC-LSDHHAIUSA-N 1 0 339.439 2.729 20 10 EFCDRO CC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@@H](O)C(F)(F)F ZINC000378405923 242530052 /nfs/dbraw/zinc/53/00/52/242530052.db2.gz SOKSORNVDYOBLP-HZPDHXFCSA-N 1 0 346.393 2.955 20 10 EFCDRO C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H]([NH3+])c1ccccc1 ZINC000166459456 533282544 /nfs/dbraw/zinc/28/25/44/533282544.db2.gz JVKNQUJAJGAHLO-FZKQIMNGSA-N 1 0 329.419 2.844 20 10 EFCDRO COc1cccc(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1O ZINC000173841221 533498648 /nfs/dbraw/zinc/49/86/48/533498648.db2.gz ZPOFULMMIXBDFP-MRXNPFEDSA-N 1 0 349.475 2.711 20 10 EFCDRO COc1cccc(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1O ZINC000073811633 533498987 /nfs/dbraw/zinc/49/89/87/533498987.db2.gz SEGGPNCSTVKKNM-AUUYWEPGSA-N 1 0 349.475 2.711 20 10 EFCDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C[N@@H+]1C1CC1 ZINC000177708228 533625244 /nfs/dbraw/zinc/62/52/44/533625244.db2.gz HOLOFGSEZADYQP-NVXWUHKLSA-N 1 0 342.487 2.711 20 10 EFCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)o1 ZINC000054179219 132190158 /nfs/dbraw/zinc/19/01/58/132190158.db2.gz KKUBPMPRZDBVDZ-INIZCTEOSA-N 1 0 327.428 2.580 20 10 EFCDRO COCCOC1(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)CCOCC1 ZINC000296567077 292566346 /nfs/dbraw/zinc/56/63/46/292566346.db2.gz SPOVUAQHNOAMAU-MRXNPFEDSA-N 1 0 337.460 2.872 20 10 EFCDRO C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C[N@@H+]1C1CC1 ZINC000127329823 544630702 /nfs/dbraw/zinc/63/07/02/544630702.db2.gz UAPZWUMYSWZKRW-HOCLYGCPSA-N 1 0 330.476 2.519 20 10 EFCDRO CCc1cc(N2CCC([NH2+][C@@H]3CCc4cccc(O)c43)CC2)ncn1 ZINC000297637492 273767818 /nfs/dbraw/zinc/76/78/18/273767818.db2.gz JQRMMYQCACBZDX-QGZVFWFLSA-N 1 0 338.455 2.991 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000278424415 276375186 /nfs/dbraw/zinc/37/51/86/276375186.db2.gz SAVZKVDFRJIECH-IAQYHMDHSA-N 1 0 333.350 2.926 20 10 EFCDRO CCOc1cccc(C[NH2+][C@](C)(CC(=O)OC)c2ccncc2)c1O ZINC000191905574 276380776 /nfs/dbraw/zinc/38/07/76/276380776.db2.gz ZLAIWDNEKDARED-LJQANCHMSA-N 1 0 344.411 2.754 20 10 EFCDRO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000177853080 533690209 /nfs/dbraw/zinc/69/02/09/533690209.db2.gz AUZQNVKCHHOFPY-AWEZNQCLSA-N 1 0 346.450 2.977 20 10 EFCDRO CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000286017021 288035927 /nfs/dbraw/zinc/03/59/27/288035927.db2.gz IKVSKYKSPFFJED-RCCFBDPRSA-N 1 0 336.451 2.950 20 10 EFCDRO CC[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C(=O)N1CCOCC1 ZINC000185665248 280192342 /nfs/dbraw/zinc/19/23/42/280192342.db2.gz GNUANOKGFZGLHY-KBXCAEBGSA-N 1 0 346.471 2.559 20 10 EFCDRO COc1cccc(C[NH2+]CC2(N3CCCCC3)CCOCC2)c1O ZINC000111403836 473210504 /nfs/dbraw/zinc/21/05/04/473210504.db2.gz BLKGRTRSFDZYSN-UHFFFAOYSA-N 1 0 334.460 2.526 20 10 EFCDRO CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)c1ccccc1O ZINC000095940782 473225605 /nfs/dbraw/zinc/22/56/05/473225605.db2.gz IUXXSQICYQPXGD-MRXNPFEDSA-N 1 0 334.441 2.541 20 10 EFCDRO [O-]c1c(Br)cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112017216 473238538 /nfs/dbraw/zinc/23/85/38/473238538.db2.gz HKDGIJYNKBDKLU-QWHCGFSZSA-N 1 0 325.250 2.871 20 10 EFCDRO [O-]c1c(Br)cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112017213 473238589 /nfs/dbraw/zinc/23/85/89/473238589.db2.gz HKDGIJYNKBDKLU-CHWSQXEVSA-N 1 0 325.250 2.871 20 10 EFCDRO CC(C)C(=O)NCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000184869573 473259305 /nfs/dbraw/zinc/25/93/05/473259305.db2.gz KYCLIMVEOUKAMF-SNVBAGLBSA-N 1 0 329.238 2.578 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)c1 ZINC000184955615 473283091 /nfs/dbraw/zinc/28/30/91/473283091.db2.gz GPFFWCTYQCBAST-ZDUSSCGKSA-N 1 0 330.432 2.612 20 10 EFCDRO C[C@H](CN1CCCC1=O)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185109666 473330998 /nfs/dbraw/zinc/33/09/98/473330998.db2.gz JBVLNMODFJSOFG-GHMZBOCLSA-N 1 0 341.249 2.816 20 10 EFCDRO C[C@@](O)(C[NH2+]Cc1cc2c(cc1O)OCO2)c1cccc(Cl)c1 ZINC000185111405 473332807 /nfs/dbraw/zinc/33/28/07/473332807.db2.gz MQXWJAFTTNDIOH-QGZVFWFLSA-N 1 0 335.787 2.772 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c(O)c1 ZINC000185141101 473341118 /nfs/dbraw/zinc/34/11/18/473341118.db2.gz DCYREARORHVXGU-QAPCUYQASA-N 1 0 336.501 2.559 20 10 EFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)c1ccccc1 ZINC000016387316 471934955 /nfs/dbraw/zinc/93/49/55/471934955.db2.gz CCLHIONDHKKSJE-HXUWFJFHSA-N 1 0 326.440 2.689 20 10 EFCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000067010461 471982292 /nfs/dbraw/zinc/98/22/92/471982292.db2.gz BYUQGDVHFZAGMF-AWEZNQCLSA-N 1 0 347.484 2.512 20 10 EFCDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cncc(F)c2)C1 ZINC000067207537 472005833 /nfs/dbraw/zinc/00/58/33/472005833.db2.gz WPFOFHYLJBFYHT-OZSKJFCKSA-N 1 0 325.387 2.753 20 10 EFCDRO CC[N@H+](CC(=O)N1CCCC1)Cc1cc(Br)ccc1O ZINC000076118566 472277584 /nfs/dbraw/zinc/27/75/84/472277584.db2.gz WYHGKBLCNGHSHJ-UHFFFAOYSA-N 1 0 341.249 2.599 20 10 EFCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NC1CC1 ZINC000076118514 472277767 /nfs/dbraw/zinc/27/77/67/472277767.db2.gz FWDATNIOJPCSRM-JTQLQIEISA-N 1 0 341.249 2.644 20 10 EFCDRO CC[C@@H]([NH2+]CCOCCOC)c1cc(Br)ccc1O ZINC000044693645 472331781 /nfs/dbraw/zinc/33/17/81/472331781.db2.gz IRALXWZFMBHXKM-CYBMUJFWSA-N 1 0 332.238 2.858 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1C ZINC000128179342 472413960 /nfs/dbraw/zinc/41/39/60/472413960.db2.gz SLAUGHULBKXEII-KRWDZBQOSA-N 1 0 328.412 2.883 20 10 EFCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H](O)C1CCOCC1 ZINC000076906403 472422502 /nfs/dbraw/zinc/42/25/02/472422502.db2.gz HWGLDFDUGPBWFZ-HXUWFJFHSA-N 1 0 327.424 2.936 20 10 EFCDRO C[N@H+](CCCOCC(F)(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000097094181 472441714 /nfs/dbraw/zinc/44/17/14/472441714.db2.gz ABSFBPCXDFWJKT-UHFFFAOYSA-N 1 0 346.393 2.924 20 10 EFCDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1O ZINC000069818248 472442762 /nfs/dbraw/zinc/44/27/62/472442762.db2.gz VIBWUTUKEXBWHO-GFCCVEGCSA-N 1 0 329.356 2.759 20 10 EFCDRO O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)NCC(F)(F)F ZINC000069819292 472443749 /nfs/dbraw/zinc/44/37/49/472443749.db2.gz BQUVVRXCXVHYGD-UHFFFAOYSA-N 1 0 330.350 2.815 20 10 EFCDRO COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000089514406 472452708 /nfs/dbraw/zinc/45/27/08/472452708.db2.gz GCNRDYPEOIHICI-HNNXBMFYSA-N 1 0 341.455 2.842 20 10 EFCDRO COc1cccc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000128513033 472461957 /nfs/dbraw/zinc/46/19/57/472461957.db2.gz NHCQZVQXQGROLL-UHFFFAOYSA-N 1 0 336.432 2.844 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000089619095 472470427 /nfs/dbraw/zinc/47/04/27/472470427.db2.gz NDBPRYAHRJROPM-BXUZGUMPSA-N 1 0 329.366 2.566 20 10 EFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000089619911 472470738 /nfs/dbraw/zinc/47/07/38/472470738.db2.gz XYPITAUUWSUIQB-SWLSCSKDSA-N 1 0 343.393 2.957 20 10 EFCDRO C[N@H+](CCC(=O)OC(C)(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000097270869 472488165 /nfs/dbraw/zinc/48/81/65/472488165.db2.gz BFDRYEMWBCVHRA-UHFFFAOYSA-N 1 0 334.460 2.687 20 10 EFCDRO COc1cc(OC)cc([C@@H](O)C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000118450726 472496964 /nfs/dbraw/zinc/49/69/64/472496964.db2.gz HPECNUSOYIIVFK-KRWDZBQOSA-N 1 0 337.803 2.886 20 10 EFCDRO CCCOc1ccc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c(O)c1 ZINC000119099896 472526493 /nfs/dbraw/zinc/52/64/93/472526493.db2.gz DNROQEFSNRMBGY-UHFFFAOYSA-N 1 0 332.444 2.625 20 10 EFCDRO CC[C@@H]([NH2+]CCNC(=O)C1CC1)c1cc(Br)ccc1O ZINC000119122069 472528444 /nfs/dbraw/zinc/52/84/44/472528444.db2.gz RCBSMOMCWUJVJX-CYBMUJFWSA-N 1 0 341.249 2.722 20 10 EFCDRO CC1CCN(C(=O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000070975907 472530699 /nfs/dbraw/zinc/53/06/99/472530699.db2.gz JITKCFILLVLVIY-GOSISDBHSA-N 1 0 346.471 2.632 20 10 EFCDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(C)cc1)c1ccccc1O ZINC000155387650 472541416 /nfs/dbraw/zinc/54/14/16/472541416.db2.gz IBEHNXSTDAVMPC-KRWDZBQOSA-N 1 0 348.468 2.720 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c1O ZINC000129460590 472544960 /nfs/dbraw/zinc/54/49/60/472544960.db2.gz SJIAPCXLWLCQLJ-UHFFFAOYSA-N 1 0 332.366 2.861 20 10 EFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(COC)nn3C2)cc1 ZINC000090396548 472614282 /nfs/dbraw/zinc/61/42/82/472614282.db2.gz GFJLNLKJWQUFBX-GDBMZVCRSA-N 1 0 343.475 2.546 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090455692 472619989 /nfs/dbraw/zinc/61/99/89/472619989.db2.gz GOAVVGNBTIRJMW-CJNGLKHVSA-N 1 0 344.434 2.594 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000130717312 472623326 /nfs/dbraw/zinc/62/33/26/472623326.db2.gz HHBTYRNMNCCZNF-ZBFHGGJFSA-N 1 0 331.460 2.939 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC(n3ccnc3)CC2)cc1F ZINC000103311668 472625544 /nfs/dbraw/zinc/62/55/44/472625544.db2.gz VBHFVEIQBBEACB-UHFFFAOYSA-N 1 0 345.422 2.635 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046983823 472635670 /nfs/dbraw/zinc/63/56/70/472635670.db2.gz XIWYPMKBFGAKCS-RBUKOAKNSA-N 1 0 342.487 2.713 20 10 EFCDRO C[C@]1(c2ccccc2)C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000120159355 472640699 /nfs/dbraw/zinc/64/06/99/472640699.db2.gz QZCYEIIBCLWJMX-LJQANCHMSA-N 1 0 327.380 2.869 20 10 EFCDRO Cc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c(C)n1-c1ccccn1 ZINC000105327133 472746838 /nfs/dbraw/zinc/74/68/38/472746838.db2.gz JEQMXKYRMCWMAP-MRXNPFEDSA-N 1 0 326.444 2.655 20 10 EFCDRO CC[C@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1O ZINC000121086186 472795795 /nfs/dbraw/zinc/79/57/95/472795795.db2.gz ZAWVKZGHMGKYCV-QUCCMNQESA-N 1 0 340.467 2.852 20 10 EFCDRO COCC[N@H+](CC(=O)N(C)C)Cc1cc(-c2ccccc2)ccc1O ZINC000091773976 472805278 /nfs/dbraw/zinc/80/52/78/472805278.db2.gz UUYJVJHQXZQICV-UHFFFAOYSA-N 1 0 342.439 2.596 20 10 EFCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1C ZINC000092010977 472841596 /nfs/dbraw/zinc/84/15/96/472841596.db2.gz JCXBIUJLSBRNNU-YJBOKZPZSA-N 1 0 329.444 2.688 20 10 EFCDRO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000092011084 472841631 /nfs/dbraw/zinc/84/16/31/472841631.db2.gz KEXNPLMGMUGYNX-MLGOLLRUSA-N 1 0 335.835 2.725 20 10 EFCDRO COc1cccc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c1O ZINC000092056675 472849498 /nfs/dbraw/zinc/84/94/98/472849498.db2.gz VSUXIHGLSSWTBK-UHFFFAOYSA-N 1 0 332.444 2.625 20 10 EFCDRO COc1cccc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c1O ZINC000092149255 472867521 /nfs/dbraw/zinc/86/75/21/472867521.db2.gz MYZZADIQBIOMBD-UHFFFAOYSA-N 1 0 346.452 2.810 20 10 EFCDRO O=C1NCCN1[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092188366 472871580 /nfs/dbraw/zinc/87/15/80/472871580.db2.gz PEQAAMNPDYDJJF-IBGZPJMESA-N 1 0 342.487 2.667 20 10 EFCDRO CN(C)c1ccc(CNC(=O)CN2CCc3ccc(F)cc3C2)cc1 ZINC000134089371 472873351 /nfs/dbraw/zinc/87/33/51/472873351.db2.gz RIZKYIMQDNGLRA-UHFFFAOYSA-N 1 0 341.430 2.566 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc1 ZINC000073778694 472874048 /nfs/dbraw/zinc/87/40/48/472874048.db2.gz DHZMGTOYHLKTQL-PKOBYXMFSA-N 1 0 344.503 2.911 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3CCCC3)cc2F)CC1 ZINC000106702793 472882906 /nfs/dbraw/zinc/88/29/06/472882906.db2.gz AYNCCMUUYDHHJD-UHFFFAOYSA-N 1 0 333.451 2.774 20 10 EFCDRO COc1cccc(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1O ZINC000073822247 472884284 /nfs/dbraw/zinc/88/42/84/472884284.db2.gz NMCYYNRGMZOXMM-CQSZACIVSA-N 1 0 349.475 2.711 20 10 EFCDRO CO[C@@H](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134261109 472889350 /nfs/dbraw/zinc/88/93/50/472889350.db2.gz YTJBWMMSKIOZRN-SWLSCSKDSA-N 1 0 340.851 2.551 20 10 EFCDRO CS[C@H](C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158084478 472891267 /nfs/dbraw/zinc/89/12/67/472891267.db2.gz GPYIDBBEVIEBAJ-RISCZKNCSA-N 1 0 342.892 2.878 20 10 EFCDRO Cc1cc(O)c(C[N@@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1C ZINC000092585518 472940529 /nfs/dbraw/zinc/94/05/29/472940529.db2.gz KWZOMPJAONKMPM-CQSZACIVSA-N 1 0 348.468 2.849 20 10 EFCDRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000092585294 472941005 /nfs/dbraw/zinc/94/10/05/472941005.db2.gz YJVYIPZRDLAFPF-AWEZNQCLSA-N 1 0 347.484 2.593 20 10 EFCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000093134108 473048305 /nfs/dbraw/zinc/04/83/05/473048305.db2.gz FDSYTTCIVVMGLN-GFCCVEGCSA-N 1 0 332.835 2.963 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000093134428 473049124 /nfs/dbraw/zinc/04/91/24/473049124.db2.gz YRFGLPLMWNEILK-CQSZACIVSA-N 1 0 342.443 2.708 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000093133796 473049520 /nfs/dbraw/zinc/04/95/20/473049520.db2.gz CPWQKJAUXLORFL-MRXNPFEDSA-N 1 0 325.460 2.670 20 10 EFCDRO C[C@H]1CN(c2ccc(CNC(=[NH2+])NC3CCCC3)cc2F)C[C@H](C)O1 ZINC000066243632 473063726 /nfs/dbraw/zinc/06/37/26/473063726.db2.gz JIJMJQRWRQSEES-KBPBESRZSA-N 1 0 348.466 2.996 20 10 EFCDRO Cc1cccc(NC(=O)NC(=O)C[N@@H+](C)Cc2ccccc2O)c1C ZINC000109772968 473120275 /nfs/dbraw/zinc/12/02/75/473120275.db2.gz VKCYXPDRROGCNE-UHFFFAOYSA-N 1 0 341.411 2.789 20 10 EFCDRO COc1cccc(CNC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)c1 ZINC000109769015 473120814 /nfs/dbraw/zinc/12/08/14/473120814.db2.gz NZYNNITVBBILPR-CQSZACIVSA-N 1 0 328.412 2.538 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)c1O ZINC000093613658 473126002 /nfs/dbraw/zinc/12/60/02/473126002.db2.gz UOQQSOPEZGBNDL-IRXDYDNUSA-N 1 0 335.444 2.543 20 10 EFCDRO COCCOC[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000093753998 473138879 /nfs/dbraw/zinc/13/88/79/473138879.db2.gz OIEZFABBDPHOIB-GFCCVEGCSA-N 1 0 344.249 2.640 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000066700365 473141404 /nfs/dbraw/zinc/14/14/04/473141404.db2.gz FNUTVCFIWJDGLS-DLBZAZTESA-N 1 0 331.460 2.941 20 10 EFCDRO CCOc1ccc(O)c(C[N@H+](C)CC(C)(C)CN2CCOCC2)c1 ZINC000093769711 473143438 /nfs/dbraw/zinc/14/34/38/473143438.db2.gz SEPDMPOEILALBW-UHFFFAOYSA-N 1 0 336.476 2.581 20 10 EFCDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000093863960 473152302 /nfs/dbraw/zinc/15/23/02/473152302.db2.gz VJCXSNOOJJIMBP-IBGZPJMESA-N 1 0 340.471 2.766 20 10 EFCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)CCc2ccccc2)cc1 ZINC000053048019 473177678 /nfs/dbraw/zinc/17/76/78/473177678.db2.gz VCOHBWQUGNENRR-UHFFFAOYSA-N 1 0 325.456 2.543 20 10 EFCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000151180664 473421211 /nfs/dbraw/zinc/42/12/11/473421211.db2.gz SMVVDUGNGPVTPC-SFHVURJKSA-N 1 0 342.487 2.594 20 10 EFCDRO C[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000151237252 473430065 /nfs/dbraw/zinc/43/00/65/473430065.db2.gz RNEPNYSXVYSQIK-MRXNPFEDSA-N 1 0 340.471 2.835 20 10 EFCDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185466753 473434110 /nfs/dbraw/zinc/43/41/10/473434110.db2.gz CVBHJNCHHLBTIY-IINYFYTJSA-N 1 0 332.238 2.593 20 10 EFCDRO C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1cc(Br)ccc1O ZINC000185638275 473474344 /nfs/dbraw/zinc/47/43/44/473474344.db2.gz IUFCXKIAXLCJPS-RNCFNFMXSA-N 1 0 332.263 2.673 20 10 EFCDRO [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000191228612 473512515 /nfs/dbraw/zinc/51/25/15/473512515.db2.gz KLULAGZMJZIARC-UHFFFAOYSA-N 1 0 342.842 2.729 20 10 EFCDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Cc3ccc(N)cc3)C2)CC1 ZINC000166435548 473526792 /nfs/dbraw/zinc/52/67/92/473526792.db2.gz QHCLGFHMNLBKQI-SFHVURJKSA-N 1 0 329.488 2.782 20 10 EFCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000126719664 473540119 /nfs/dbraw/zinc/54/01/19/473540119.db2.gz CQYSEDWYVAMVQY-MRXNPFEDSA-N 1 0 330.476 2.592 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000178711441 473546135 /nfs/dbraw/zinc/54/61/35/473546135.db2.gz DYFXOWNLZAOJHE-LJQANCHMSA-N 1 0 325.456 2.719 20 10 EFCDRO Nc1ccc(CCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000152560981 473576718 /nfs/dbraw/zinc/57/67/18/473576718.db2.gz XVSQHFFHYZBEHM-FQEVSTJZSA-N 1 0 337.467 2.982 20 10 EFCDRO CC(C)N1CC[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2O)C1=O ZINC000186048694 473578977 /nfs/dbraw/zinc/57/89/77/473578977.db2.gz BIZQMAMQBGWMTQ-ZWNOBZJWSA-N 1 0 341.249 2.815 20 10 EFCDRO CC(C)N1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)C1=O ZINC000186048649 473579126 /nfs/dbraw/zinc/57/91/26/473579126.db2.gz BIZQMAMQBGWMTQ-GWCFXTLKSA-N 1 0 341.249 2.815 20 10 EFCDRO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1=O ZINC000186102288 473591182 /nfs/dbraw/zinc/59/11/82/473591182.db2.gz VDUCJHXEGKRMFF-SWLSCSKDSA-N 1 0 344.386 2.996 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1[O-] ZINC000186197296 473614187 /nfs/dbraw/zinc/61/41/87/473614187.db2.gz JIRRGKVMFIRYEU-CYBMUJFWSA-N 1 0 333.407 2.718 20 10 EFCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000179151314 473640862 /nfs/dbraw/zinc/64/08/62/473640862.db2.gz UNDWBNWIXQGZAT-ZDUSSCGKSA-N 1 0 325.792 2.776 20 10 EFCDRO C[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)C[NH+]1CCCC1 ZINC000153812474 473643137 /nfs/dbraw/zinc/64/31/37/473643137.db2.gz ZFZLDPVHWXDTMO-KRWDZBQOSA-N 1 0 342.487 2.594 20 10 EFCDRO COc1ccc(O)c(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c1 ZINC000186457780 473677064 /nfs/dbraw/zinc/67/70/64/473677064.db2.gz VQDZFFWZXCRJTC-UHFFFAOYSA-N 1 0 328.412 2.716 20 10 EFCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000179365756 473681103 /nfs/dbraw/zinc/68/11/03/473681103.db2.gz YGLROLYRGSKXIF-LLVKDONJSA-N 1 0 342.233 2.740 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186492392 473681244 /nfs/dbraw/zinc/68/12/44/473681244.db2.gz PCLBEEWVDARTNB-UHFFFAOYSA-N 1 0 348.512 2.621 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000179623733 473699028 /nfs/dbraw/zinc/69/90/28/473699028.db2.gz ANJDEEXKPLCTOK-CQSZACIVSA-N 1 0 338.411 2.823 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1 ZINC000179767334 473721316 /nfs/dbraw/zinc/72/13/16/473721316.db2.gz MVYPZVSFWVPKEH-OAHLLOKOSA-N 1 0 346.471 2.871 20 10 EFCDRO C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000287685189 473733842 /nfs/dbraw/zinc/73/38/42/473733842.db2.gz WKDDUOUOIMEOCR-YQQAZPJKSA-N 1 0 336.451 2.986 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c1 ZINC000179851285 473742671 /nfs/dbraw/zinc/74/26/71/473742671.db2.gz FJODSPVEVWOQKN-UHFFFAOYSA-N 1 0 346.452 2.857 20 10 EFCDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c(F)cn1 ZINC000287731580 473746384 /nfs/dbraw/zinc/74/63/84/473746384.db2.gz PDUGVVPNIVMJGE-CQSZACIVSA-N 1 0 345.418 2.917 20 10 EFCDRO Oc1ccc(F)cc1C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000179909349 473752697 /nfs/dbraw/zinc/75/26/97/473752697.db2.gz FROPDBJLUUHYSZ-UHFFFAOYSA-N 1 0 344.415 2.858 20 10 EFCDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000179938429 473759228 /nfs/dbraw/zinc/75/92/28/473759228.db2.gz VZXZEBNGMYUZLW-CABCVRRESA-N 1 0 334.460 2.918 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000173254746 473781986 /nfs/dbraw/zinc/78/19/86/473781986.db2.gz NYIJCINOPRJGJM-GOSISDBHSA-N 1 0 332.492 2.768 20 10 EFCDRO COc1ccncc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000287926860 473799693 /nfs/dbraw/zinc/79/96/93/473799693.db2.gz WMFZXOFOUJFBIC-HNNXBMFYSA-N 1 0 327.428 2.778 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]CCc2cn3c(n2)SCC3)c1O ZINC000274415946 473813641 /nfs/dbraw/zinc/81/36/41/473813641.db2.gz NKHAWBJKHKAAKN-UHFFFAOYSA-N 1 0 339.848 2.689 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCC(=O)N(C)C)c1O ZINC000187125720 473821783 /nfs/dbraw/zinc/82/17/83/473821783.db2.gz RQMHVIJTFXOTCJ-JTQLQIEISA-N 1 0 329.238 2.592 20 10 EFCDRO C[C@H]1C[C@H](NC(=O)c2cccc(O)c2O)CC[N@@H+]1Cc1ccccc1 ZINC000187171152 473829998 /nfs/dbraw/zinc/82/99/98/473829998.db2.gz JYCLSZKVYNFZMK-GOEBONIOSA-N 1 0 340.423 2.881 20 10 EFCDRO CCCOc1ccc(C[NH+]2CCC(CC(=O)N(C)C)CC2)c(O)c1 ZINC000180329575 473854259 /nfs/dbraw/zinc/85/42/59/473854259.db2.gz FJAVHBYAXFQMKC-UHFFFAOYSA-N 1 0 334.460 2.871 20 10 EFCDRO CCOCc1cc(C[NH2+][C@@H](CO)Cc2ccccc2)ccc1OC ZINC000187366113 473863446 /nfs/dbraw/zinc/86/34/46/473863446.db2.gz GPFNXGCEHVJMAT-LJQANCHMSA-N 1 0 329.440 2.925 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c(O)c1 ZINC000269914010 473915923 /nfs/dbraw/zinc/91/59/23/473915923.db2.gz IXHKLLVJKQYZLN-HKUYNNGSSA-N 1 0 345.439 2.755 20 10 EFCDRO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000187822860 473926393 /nfs/dbraw/zinc/92/63/93/473926393.db2.gz BCGHBQGKVYWMME-INIZCTEOSA-N 1 0 340.471 2.845 20 10 EFCDRO C[C@H]1CCC[C@@](CNC(=O)/C=C/c2ccc(O)c(O)c2)([NH+](C)C)C1 ZINC000180691007 473943971 /nfs/dbraw/zinc/94/39/71/473943971.db2.gz ORTVUMBCRWKHLZ-AHWZWBKUSA-N 1 0 332.444 2.738 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000188016002 473955355 /nfs/dbraw/zinc/95/53/55/473955355.db2.gz SNAOENXFYOKKJC-IIDMSEBBSA-N 1 0 336.451 2.864 20 10 EFCDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000188046690 473963397 /nfs/dbraw/zinc/96/33/97/473963397.db2.gz WEKYYEOGJLJXGG-HNNXBMFYSA-N 1 0 342.439 2.928 20 10 EFCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc([S@](C)=O)cc1 ZINC000270072307 473979459 /nfs/dbraw/zinc/97/94/59/473979459.db2.gz IDYLCTOKMKSJQC-RULNZOCKSA-N 1 0 333.409 2.709 20 10 EFCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C[C@@H]1C ZINC000188101754 473982900 /nfs/dbraw/zinc/98/29/00/473982900.db2.gz QZVDKVPBLKGEJB-GWCFXTLKSA-N 1 0 342.233 2.786 20 10 EFCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C[C@@H]1C ZINC000188109534 473986034 /nfs/dbraw/zinc/98/60/34/473986034.db2.gz JNXMCGNWZLHKCN-GWCFXTLKSA-N 1 0 327.808 2.685 20 10 EFCDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180935008 473989145 /nfs/dbraw/zinc/98/91/45/473989145.db2.gz GMOVUHHYRNNGTM-OHOWAWRESA-N 1 0 346.471 2.985 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@]2(CO)CCOc3ccccc32)c(O)c1 ZINC000282247051 473997122 /nfs/dbraw/zinc/99/71/22/473997122.db2.gz GKAFIIHHFUJANA-FQEVSTJZSA-N 1 0 343.423 2.941 20 10 EFCDRO COc1cccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1O ZINC000274914834 474012204 /nfs/dbraw/zinc/01/22/04/474012204.db2.gz KRRQQBQMEOGOMW-UHFFFAOYSA-N 1 0 342.443 2.708 20 10 EFCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NC(=O)NC(C)C ZINC000282322020 474021825 /nfs/dbraw/zinc/02/18/25/474021825.db2.gz ADLOMKOHUDWPRA-CQSZACIVSA-N 1 0 335.448 2.617 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c(O)c1 ZINC000288715570 474030005 /nfs/dbraw/zinc/03/00/05/474030005.db2.gz ZOBVHSYMGZPSTL-APWZRJJASA-N 1 0 329.396 2.765 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000181402010 474032517 /nfs/dbraw/zinc/03/25/17/474032517.db2.gz IRSANRVKDYJMCW-MRXNPFEDSA-N 1 0 325.456 2.762 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1C ZINC000275032650 474048399 /nfs/dbraw/zinc/04/83/99/474048399.db2.gz SPONWPBILOCQOP-GFCCVEGCSA-N 1 0 330.350 2.509 20 10 EFCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000282445796 474068174 /nfs/dbraw/zinc/06/81/74/474068174.db2.gz LIRNGQLMDACPLJ-RDJZCZTQSA-N 1 0 334.460 2.678 20 10 EFCDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000275125844 474079123 /nfs/dbraw/zinc/07/91/23/474079123.db2.gz IXTHVPXOOZSYQA-SNVBAGLBSA-N 1 0 336.741 2.546 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1O ZINC000182088839 474096945 /nfs/dbraw/zinc/09/69/45/474096945.db2.gz NNCAABLSMGELGM-OAHLLOKOSA-N 1 0 329.444 2.979 20 10 EFCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)COC1CCOCC1 ZINC000282550598 474107618 /nfs/dbraw/zinc/10/76/18/474107618.db2.gz XCUJJXYRWOTRRR-KRWDZBQOSA-N 1 0 337.460 2.551 20 10 EFCDRO C[C@H](CNC(=O)NCc1ccccc1O)[N@H+](C)Cc1ccccc1 ZINC000264803713 474132710 /nfs/dbraw/zinc/13/27/10/474132710.db2.gz UPEBAWIXASKELC-OAHLLOKOSA-N 1 0 327.428 2.712 20 10 EFCDRO Cc1ccc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c(O)c1O ZINC000182251064 474134986 /nfs/dbraw/zinc/13/49/86/474134986.db2.gz UONFUMGKHZGVJZ-UHFFFAOYSA-N 1 0 332.444 2.791 20 10 EFCDRO CNC(=O)CCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000275299707 474135172 /nfs/dbraw/zinc/13/51/72/474135172.db2.gz HRNCDFBWAJASCZ-JTQLQIEISA-N 1 0 329.238 2.640 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282654843 474142976 /nfs/dbraw/zinc/14/29/76/474142976.db2.gz LJSWDNKCFKLSOY-LJQANCHMSA-N 1 0 330.472 2.962 20 10 EFCDRO Cc1ccc(O)c(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)c1 ZINC000264932023 474161111 /nfs/dbraw/zinc/16/11/11/474161111.db2.gz BAXWXXRULBHCEC-UHFFFAOYSA-N 1 0 328.412 2.943 20 10 EFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC000264973159 474162900 /nfs/dbraw/zinc/16/29/00/474162900.db2.gz GQYBMLHACSILSK-LJQANCHMSA-N 1 0 341.455 2.969 20 10 EFCDRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000182385905 474163205 /nfs/dbraw/zinc/16/32/05/474163205.db2.gz RAWNJFWURXVTOM-ZWKOTPCHSA-N 1 0 336.501 2.732 20 10 EFCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000264994608 474163231 /nfs/dbraw/zinc/16/32/31/474163231.db2.gz XRUFMANEGRKVOF-UHFFFAOYSA-N 1 0 333.819 2.567 20 10 EFCDRO COc1cc(O)c(C[NH2+]C[C@](C)(O)c2cc(C)oc2C)cc1OC ZINC000182456555 474180752 /nfs/dbraw/zinc/18/07/52/474180752.db2.gz LQXRRLYGHVUIHR-SFHVURJKSA-N 1 0 335.400 2.617 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)c1 ZINC000182457608 474181048 /nfs/dbraw/zinc/18/10/48/474181048.db2.gz QYMUBVKWQFIILC-OCCSQVGLSA-N 1 0 335.375 2.630 20 10 EFCDRO C[C@@H]([NH2+]CCOCC(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000188741640 474182157 /nfs/dbraw/zinc/18/21/57/474182157.db2.gz YNEWVIYIVUQVQD-GFCCVEGCSA-N 1 0 332.366 2.595 20 10 EFCDRO CCOC(=O)COc1ccc(CC[NH2+]Cc2cccc(C)c2O)cc1 ZINC000182481250 474187584 /nfs/dbraw/zinc/18/75/84/474187584.db2.gz KIXPOJPLRPEMIQ-UHFFFAOYSA-N 1 0 343.423 2.975 20 10 EFCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)c(O)c1 ZINC000275450139 474188813 /nfs/dbraw/zinc/18/88/13/474188813.db2.gz GKSYGVYRRXQZDI-HNAYVOBHSA-N 1 0 345.443 2.782 20 10 EFCDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccccc2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000270693519 474224955 /nfs/dbraw/zinc/22/49/55/474224955.db2.gz WLLPHYZWDUSRAT-QAPCUYQASA-N 1 0 332.350 2.732 20 10 EFCDRO COc1ccc(O)c(C[NH2+]CCOc2ncccc2C(F)(F)F)c1 ZINC000182659893 474227848 /nfs/dbraw/zinc/22/78/48/474227848.db2.gz RXLAMISQFRMCHT-UHFFFAOYSA-N 1 0 342.317 2.983 20 10 EFCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000182671865 474230635 /nfs/dbraw/zinc/23/06/35/474230635.db2.gz ZODRXQZNFQOZNW-INIZCTEOSA-N 1 0 340.423 2.539 20 10 EFCDRO CC[C@@H]([NH2+][C@H](C)C(=O)NCCF)c1cc(Br)ccc1O ZINC000282896172 474234401 /nfs/dbraw/zinc/23/44/01/474234401.db2.gz WNJVSTRASBWVMD-BXKDBHETSA-N 1 0 347.228 2.670 20 10 EFCDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)C(=O)NC(C)(C)C ZINC000227441666 474245568 /nfs/dbraw/zinc/24/55/68/474245568.db2.gz OOXXMGJTQKBGIR-VIFPVBQESA-N 1 0 329.238 2.548 20 10 EFCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCN1CC(C)(C)O ZINC000188966518 474248171 /nfs/dbraw/zinc/24/81/71/474248171.db2.gz UFVCIRHIEJCDTH-HNNXBMFYSA-N 1 0 328.456 2.822 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000175553013 474248592 /nfs/dbraw/zinc/24/85/92/474248592.db2.gz GPAYFEXUWISZEC-UHFFFAOYSA-N 1 0 344.503 2.959 20 10 EFCDRO C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182875576 474275799 /nfs/dbraw/zinc/27/57/99/474275799.db2.gz WGYZDNUWUFKWJB-DYIUODAASA-N 1 0 344.455 2.880 20 10 EFCDRO Cc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(O)c1O ZINC000182911685 474286324 /nfs/dbraw/zinc/28/63/24/474286324.db2.gz IGSSNMRWMGROFV-KGLIPLIRSA-N 1 0 332.444 2.789 20 10 EFCDRO COc1cccc(C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)c1O ZINC000289475366 474287410 /nfs/dbraw/zinc/28/74/10/474287410.db2.gz PXIXXHFZMFMVHM-UHFFFAOYSA-N 1 0 326.396 2.600 20 10 EFCDRO Cc1ccc(NC(=O)NCc2ccccc2O)c(OCC[NH+](C)C)c1 ZINC000265686812 474294929 /nfs/dbraw/zinc/29/49/29/474294929.db2.gz DHGHBTHGGDGPFX-UHFFFAOYSA-N 1 0 343.427 2.963 20 10 EFCDRO Cc1ccc(CN(CC[NH+](C)C)Cc2cc3c(cc2O)OCO3)o1 ZINC000289502029 474300322 /nfs/dbraw/zinc/30/03/22/474300322.db2.gz SZCBRYNHLHTOJA-UHFFFAOYSA-N 1 0 332.400 2.586 20 10 EFCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CC1(O)CCOCC1 ZINC000183154217 474338804 /nfs/dbraw/zinc/33/88/04/474338804.db2.gz RXXXSNVDBUZSJE-UHFFFAOYSA-N 1 0 343.423 2.602 20 10 EFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000237150646 474347138 /nfs/dbraw/zinc/34/71/38/474347138.db2.gz RQIGGSOCUQFKFM-KRWDZBQOSA-N 1 0 339.439 2.958 20 10 EFCDRO CCCOc1ccc(C[N@@H+]2CCOCC3(CCOCC3)C2)c(O)c1 ZINC000183266082 474362413 /nfs/dbraw/zinc/36/24/13/474362413.db2.gz DCCSYJHIPDAXKL-UHFFFAOYSA-N 1 0 335.444 2.810 20 10 EFCDRO CN(C)c1ccc(C[N@H+](Cc2cnc(N(C)C)nc2)C2CC2)cc1 ZINC000271032044 474377038 /nfs/dbraw/zinc/37/70/38/474377038.db2.gz DGBUVOAVDHQGTJ-UHFFFAOYSA-N 1 0 325.460 2.773 20 10 EFCDRO CC(C)[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)[NH+]1CCCCC1 ZINC000183448481 474381247 /nfs/dbraw/zinc/38/12/47/474381247.db2.gz CPQDZGASXLLJQT-KDOFPFPSSA-N 1 0 334.460 2.656 20 10 EFCDRO C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccccc1O ZINC000183523560 474388227 /nfs/dbraw/zinc/38/82/27/474388227.db2.gz PWJZESALXKBREP-HQRMLTQVSA-N 1 0 340.467 2.926 20 10 EFCDRO CCCOc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)c(O)c1 ZINC000183668571 474408178 /nfs/dbraw/zinc/40/81/78/474408178.db2.gz PWCLUISJJVSKGZ-UHFFFAOYSA-N 1 0 341.455 2.894 20 10 EFCDRO CCSCC[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000183700611 474414975 /nfs/dbraw/zinc/41/49/75/474414975.db2.gz ZRGBRUXVJITGKG-UHFFFAOYSA-N 1 0 340.489 2.588 20 10 EFCDRO CCCOc1ccc(C[N@@H+]2CCSC[C@H]2CC(=O)OC)c(O)c1 ZINC000271204313 474438656 /nfs/dbraw/zinc/43/86/56/474438656.db2.gz QZXNYMIRUMYYQP-CQSZACIVSA-N 1 0 339.457 2.662 20 10 EFCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1C ZINC000271268437 474465931 /nfs/dbraw/zinc/46/59/31/474465931.db2.gz JCXBIUJLSBRNNU-CRAIPNDOSA-N 1 0 329.444 2.688 20 10 EFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@]2(CO)CCOC2)cc1 ZINC000184195665 474484934 /nfs/dbraw/zinc/48/49/34/474484934.db2.gz SGALUHFWBNVZPW-OAQYLSRUSA-N 1 0 340.467 2.954 20 10 EFCDRO C[NH+](C)CCc1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000276307518 474490816 /nfs/dbraw/zinc/49/08/16/474490816.db2.gz WQWXSSQOSJIQRO-CSKARUKUSA-N 1 0 340.423 2.532 20 10 EFCDRO Nc1ccc(CC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000237888046 474494382 /nfs/dbraw/zinc/49/43/82/474494382.db2.gz AEXOUPDWRWPOOA-SFHVURJKSA-N 1 0 329.488 2.926 20 10 EFCDRO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000289942787 474496246 /nfs/dbraw/zinc/49/62/46/474496246.db2.gz XFKJHEUMTYNIRK-HNNXBMFYSA-N 1 0 336.432 2.892 20 10 EFCDRO Nc1ccc(CC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000237902593 474498553 /nfs/dbraw/zinc/49/85/53/474498553.db2.gz IQCAIJYGIMIOTI-MRXNPFEDSA-N 1 0 329.469 2.826 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC[N@H+](C)C1CC1 ZINC000266850716 474504103 /nfs/dbraw/zinc/50/41/03/474504103.db2.gz QJGMHDKFOBZITJ-UHFFFAOYSA-N 1 0 332.492 2.767 20 10 EFCDRO CN(C)C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(F)cc1 ZINC000290062209 474544756 /nfs/dbraw/zinc/54/47/56/474544756.db2.gz HKGBGGVQZHSPQC-HNNXBMFYSA-N 1 0 332.375 2.653 20 10 EFCDRO COc1cncc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000290067663 474545450 /nfs/dbraw/zinc/54/54/50/474545450.db2.gz VWQVLCPZOFSHBJ-QGZVFWFLSA-N 1 0 328.412 2.977 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3cccnc3)CC2)cc1 ZINC000271455599 474554994 /nfs/dbraw/zinc/55/49/94/474554994.db2.gz ZOIFHJNKSAAWEQ-KRWDZBQOSA-N 1 0 340.471 2.563 20 10 EFCDRO COC(=O)C[C@](C)([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccncc1 ZINC000276469015 474555298 /nfs/dbraw/zinc/55/52/98/474555298.db2.gz MKLRIJLBQRVBMM-IBGZPJMESA-N 1 0 345.418 2.855 20 10 EFCDRO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000290167992 474560742 /nfs/dbraw/zinc/56/07/42/474560742.db2.gz MMHZNXOXHZNVJM-ICCXJUOJSA-N 1 0 330.222 2.528 20 10 EFCDRO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000290167993 474561077 /nfs/dbraw/zinc/56/10/77/474561077.db2.gz MMHZNXOXHZNVJM-XDTLVQLUSA-N 1 0 330.222 2.528 20 10 EFCDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1c(F)ccc(O)c1O ZINC000276502983 474565272 /nfs/dbraw/zinc/56/52/72/474565272.db2.gz HXYQNYVQKLGLPA-UHFFFAOYSA-N 1 0 344.386 2.631 20 10 EFCDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccco1 ZINC000276668392 474568750 /nfs/dbraw/zinc/56/87/50/474568750.db2.gz YZGWUMCJECTPJP-LBPRGKRZSA-N 1 0 336.363 2.643 20 10 EFCDRO C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(F)c(F)c1[O-] ZINC000276992143 474576064 /nfs/dbraw/zinc/57/60/64/474576064.db2.gz XPBVQMOLQJFDAU-UVBJJODRSA-N 1 0 340.414 2.699 20 10 EFCDRO CCOC(=O)C1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184672077 474581045 /nfs/dbraw/zinc/58/10/45/474581045.db2.gz KACKFHZLCVGDON-UHFFFAOYSA-N 1 0 327.808 2.829 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3nccs3)CC2)cc1 ZINC000271598647 474581715 /nfs/dbraw/zinc/58/17/15/474581715.db2.gz VCZCCOAZPUQFQA-HNNXBMFYSA-N 1 0 346.500 2.625 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]C2CCN(c3cccnn3)CC2)c1O ZINC000277365666 474582528 /nfs/dbraw/zinc/58/25/28/474582528.db2.gz FBNXXWXLRJMVPQ-UHFFFAOYSA-N 1 0 348.834 2.603 20 10 EFCDRO COc1cc(Cl)cc(C[NH+]2CCC(C3OCCO3)CC2)c1O ZINC000184687180 474584563 /nfs/dbraw/zinc/58/45/63/474584563.db2.gz UIGJXIVPCGMHAI-UHFFFAOYSA-N 1 0 327.808 2.639 20 10 EFCDRO c1cc(N2CCCCC2)ccc1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000277432433 474586387 /nfs/dbraw/zinc/58/63/87/474586387.db2.gz CMWOUAKDQGGBCU-UHFFFAOYSA-N 1 0 329.488 2.631 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[S@](=O)C[C@H](C)C2)cc1F ZINC000277440603 474586455 /nfs/dbraw/zinc/58/64/55/474586455.db2.gz KCHQXMYQNDNOQI-PEBXRYMYSA-N 1 0 326.481 2.872 20 10 EFCDRO CC[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccccc1O ZINC000271729417 474587368 /nfs/dbraw/zinc/58/73/68/474587368.db2.gz SBWBHIQJPLQRPW-BBRMVZONSA-N 1 0 345.395 2.602 20 10 EFCDRO CCOCC[C@@H](O)C[N@H+](CC)Cc1cc(Br)ccc1O ZINC000277770767 474595158 /nfs/dbraw/zinc/59/51/58/474595158.db2.gz RCHRXJNKQMTULP-CQSZACIVSA-N 1 0 346.265 2.764 20 10 EFCDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000271839965 474595377 /nfs/dbraw/zinc/59/53/77/474595377.db2.gz QCGGXSRVZZNSNW-MRXNPFEDSA-N 1 0 347.411 2.583 20 10 EFCDRO COc1ccc([C@H](CO)[N@H+](C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000271839961 474595856 /nfs/dbraw/zinc/59/58/56/474595856.db2.gz QCGGXSRVZZNSNW-INIZCTEOSA-N 1 0 347.411 2.583 20 10 EFCDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000271852240 474597083 /nfs/dbraw/zinc/59/70/83/474597083.db2.gz RLKHBOHGJDJOEB-SGTLLEGYSA-N 1 0 347.411 2.802 20 10 EFCDRO COc1c(O)c(CN2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278159835 474602072 /nfs/dbraw/zinc/60/20/72/474602072.db2.gz DMCYRZHKIKOYIQ-OAHLLOKOSA-N 1 0 349.431 2.759 20 10 EFCDRO CN1CCCc2cc(C[NH2+][C@H]3CCC[C@@H](S(C)(=O)=O)C3)ccc21 ZINC000284309488 474616209 /nfs/dbraw/zinc/61/62/09/474616209.db2.gz ZFUFGVZGKVGWNR-DLBZAZTESA-N 1 0 336.501 2.514 20 10 EFCDRO C[C@@H]([NH2+]CCCN1CCOCC1)c1ccc(Br)cc1O ZINC000184838093 474617574 /nfs/dbraw/zinc/61/75/74/474617574.db2.gz QEAUJZYOUCGPER-GFCCVEGCSA-N 1 0 343.265 2.528 20 10 EFCDRO C[C@H](NC(=O)NCc1ccccc1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272721622 474624319 /nfs/dbraw/zinc/62/43/19/474624319.db2.gz JDDDUHVZKXEDST-HOCLYGCPSA-N 1 0 331.460 2.844 20 10 EFCDRO Cc1cc(Br)cc(C[N@H+](C)CCc2cnccn2)c1O ZINC000272759126 474625570 /nfs/dbraw/zinc/62/55/70/474625570.db2.gz LBBQFYDNRKBBEA-UHFFFAOYSA-N 1 0 336.233 2.928 20 10 EFCDRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H](C)c1ccccc1O ZINC000272803990 474625651 /nfs/dbraw/zinc/62/56/51/474625651.db2.gz BXAXVFZMFJXLTK-IRXDYDNUSA-N 1 0 340.471 2.649 20 10 EFCDRO CCN1CCO[C@@H](C[NH2+]Cc2ccccc2O)[C@@H]1c1ccccc1 ZINC000284379769 474630442 /nfs/dbraw/zinc/63/04/42/474630442.db2.gz AKGNNJGSKBRMJC-PMACEKPBSA-N 1 0 326.440 2.944 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1OC ZINC000278438566 474644030 /nfs/dbraw/zinc/64/40/30/474644030.db2.gz VILXSHYYANXJLP-ZUZCIYMTSA-N 1 0 349.349 2.545 20 10 EFCDRO O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1[O-] ZINC000278486025 474657817 /nfs/dbraw/zinc/65/78/17/474657817.db2.gz KKGKXXWMMMNKPX-UHFFFAOYSA-N 1 0 339.823 2.918 20 10 EFCDRO COc1cccc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c1O ZINC000292824795 474663355 /nfs/dbraw/zinc/66/33/55/474663355.db2.gz QLGXGWKPJVDHHV-UHFFFAOYSA-N 1 0 344.386 2.803 20 10 EFCDRO CCOC(=O)CC1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000267452845 474669646 /nfs/dbraw/zinc/66/96/46/474669646.db2.gz NMKXPVYTMUSQKD-UHFFFAOYSA-N 1 0 337.391 2.899 20 10 EFCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H]1OCCc2sccc21 ZINC000291826524 474705520 /nfs/dbraw/zinc/70/55/20/474705520.db2.gz ZUNUKMQMVRTLMD-BMLIUANNSA-N 1 0 333.409 2.975 20 10 EFCDRO COc1cc([N+](=O)[O-])c(N2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC ZINC000292930449 474720526 /nfs/dbraw/zinc/72/05/26/474720526.db2.gz AKZMFLGMUKMZOU-ZDUSSCGKSA-N 1 0 335.404 2.534 20 10 EFCDRO CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000284721750 474739349 /nfs/dbraw/zinc/73/93/49/474739349.db2.gz LOYZSYMKGQPNOY-UGSOOPFHSA-N 1 0 345.399 2.518 20 10 EFCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)COCC(F)(F)F ZINC000292986220 474750118 /nfs/dbraw/zinc/75/01/18/474750118.db2.gz ROKSKRUGNNTULN-AWEZNQCLSA-N 1 0 335.366 2.934 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C)c(O)c1 ZINC000284808119 474780950 /nfs/dbraw/zinc/78/09/50/474780950.db2.gz SXYMKBOSLXGUOX-YJBOKZPZSA-N 1 0 331.416 2.534 20 10 EFCDRO C[C@H]1C[C@H](NC(=O)NCc2ccccc2O)C[N@@H+]1Cc1ccccc1 ZINC000268119849 474808896 /nfs/dbraw/zinc/80/88/96/474808896.db2.gz MCAGSICWWIKHRW-YJBOKZPZSA-N 1 0 339.439 2.854 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000268136298 474818534 /nfs/dbraw/zinc/81/85/34/474818534.db2.gz JNNORTFPJGXLJW-KXBFYZLASA-N 1 0 344.503 2.767 20 10 EFCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000268143341 474823150 /nfs/dbraw/zinc/82/31/50/474823150.db2.gz KXZLKAFZKCVQDX-ACJLOTCBSA-N 1 0 343.471 2.553 20 10 EFCDRO Oc1cc2c(cc1C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)OCO2 ZINC000278820400 474853710 /nfs/dbraw/zinc/85/37/10/474853710.db2.gz TXKSOCHPMVVENA-CQSZACIVSA-N 1 0 339.750 2.737 20 10 EFCDRO COc1cc(C[NH2+][C@H](C)c2cc(F)ccc2O)ccc1OCCO ZINC000273408993 474882678 /nfs/dbraw/zinc/88/26/78/474882678.db2.gz PDILBVPTKMKFSU-GFCCVEGCSA-N 1 0 335.375 2.762 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000273422102 474890742 /nfs/dbraw/zinc/89/07/42/474890742.db2.gz SKSYBGFZGQDYAE-ZDUSSCGKSA-N 1 0 332.444 2.704 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1cc(F)ccc1O ZINC000273457938 474909865 /nfs/dbraw/zinc/90/98/65/474909865.db2.gz HJXIRJMCGCJCHF-DYVFJYSZSA-N 1 0 328.387 2.983 20 10 EFCDRO CC(C)N1C[C@@H]([NH2+][C@H](C)c2cc(Br)ccc2O)CC1=O ZINC000273461829 474911753 /nfs/dbraw/zinc/91/17/53/474911753.db2.gz IHLNBIPGOWWKLJ-PWSUYJOCSA-N 1 0 341.249 2.815 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)c1 ZINC000273480502 474922553 /nfs/dbraw/zinc/92/25/53/474922553.db2.gz UKNCUMJANNIFRR-QAPCUYQASA-N 1 0 339.439 2.937 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)c(O)c1 ZINC000273506004 474933933 /nfs/dbraw/zinc/93/39/33/474933933.db2.gz ZMJIGWMRLLERJG-CRAIPNDOSA-N 1 0 339.439 2.937 20 10 EFCDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000285266937 474951235 /nfs/dbraw/zinc/95/12/35/474951235.db2.gz YILPVDFBBRBPBO-DOTOQJQBSA-N 1 0 326.440 2.840 20 10 EFCDRO C[C@@H]1CCCN(c2ccc(CNCc3cnn(C)n3)cc2Cl)C1 ZINC000293384651 474955583 /nfs/dbraw/zinc/95/55/83/474955583.db2.gz WJFRGEXLFYXKJR-CYBMUJFWSA-N 1 0 333.867 2.995 20 10 EFCDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000279161982 474962781 /nfs/dbraw/zinc/96/27/81/474962781.db2.gz AWGIWYQONJGJMD-MGPUTAFESA-N 1 0 343.423 2.601 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2cc(OC)cc(OC)c2)c1 ZINC000273591161 474978404 /nfs/dbraw/zinc/97/84/04/474978404.db2.gz PGVWCDGGVQXBJW-BLVKFPJESA-N 1 0 347.411 2.802 20 10 EFCDRO COC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1O)[C@H]1CCCO1 ZINC000279499611 474978857 /nfs/dbraw/zinc/97/88/57/474978857.db2.gz VWKSPRDWRDAPJP-ZIAGYGMSSA-N 1 0 344.249 2.747 20 10 EFCDRO COC[C@H]([NH2+]Cc1cc(Br)cc(C)c1O)[C@@H]1CCCO1 ZINC000279499584 474979078 /nfs/dbraw/zinc/97/90/78/474979078.db2.gz VWKSPRDWRDAPJP-KBPBESRZSA-N 1 0 344.249 2.747 20 10 EFCDRO C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(Br)ccc1O ZINC000273590448 474979404 /nfs/dbraw/zinc/97/94/04/474979404.db2.gz OZXXNUWIWPBWDE-SNVBAGLBSA-N 1 0 341.249 2.851 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc2ccccc2c1O ZINC000273621442 474994060 /nfs/dbraw/zinc/99/40/60/474994060.db2.gz ZDTHUWOUIHBWGS-HIFRSBDPSA-N 1 0 348.468 2.620 20 10 EFCDRO CCOCc1cc(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)ccc1OC ZINC000279853399 474997678 /nfs/dbraw/zinc/99/76/78/474997678.db2.gz RZFZDZDOEZXUDU-QGZVFWFLSA-N 1 0 334.460 2.580 20 10 EFCDRO CC[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(C)cc1O ZINC000280226858 475014124 /nfs/dbraw/zinc/01/41/24/475014124.db2.gz VAHNQTTZKLFQTR-STQMWFEESA-N 1 0 330.350 2.905 20 10 EFCDRO CCCNC(=O)CN1CCC([NH2+][C@H](CC)c2ccc(C)cc2O)CC1 ZINC000280298047 475019031 /nfs/dbraw/zinc/01/90/31/475019031.db2.gz ZSKXHMOWKZOZRW-GOSISDBHSA-N 1 0 347.503 2.732 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c(C(F)(F)F)c1 ZINC000280300108 475020556 /nfs/dbraw/zinc/02/05/56/475020556.db2.gz PMBVGESVPKMAKI-LBPRGKRZSA-N 1 0 343.393 2.859 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1O ZINC000273734746 475033656 /nfs/dbraw/zinc/03/36/56/475033656.db2.gz KZNRVPAEQUEVRK-GXFFZTMASA-N 1 0 339.741 2.942 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000285718266 475038455 /nfs/dbraw/zinc/03/84/55/475038455.db2.gz PXTPBRZVOANWHU-CJNGLKHVSA-N 1 0 345.409 2.666 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](C)C[NH+](C)C)ccc21 ZINC000292462920 475039339 /nfs/dbraw/zinc/03/93/39/475039339.db2.gz UIHNHOIIJOBWLZ-CQSZACIVSA-N 1 0 345.487 2.832 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(N(C)C)cc1 ZINC000268730409 475040180 /nfs/dbraw/zinc/04/01/80/475040180.db2.gz BXCLOIPCWYYDAF-MRXNPFEDSA-N 1 0 340.471 2.835 20 10 EFCDRO C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268806597 475043194 /nfs/dbraw/zinc/04/31/94/475043194.db2.gz CUAYIVOEFVLJHI-AEFFLSMTSA-N 1 0 349.494 2.923 20 10 EFCDRO CCCN(CC[NH+]1CCCC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000285808076 475043305 /nfs/dbraw/zinc/04/33/05/475043305.db2.gz UURGFFRDULLRHL-UHFFFAOYSA-N 1 0 332.492 2.770 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000285852587 475044567 /nfs/dbraw/zinc/04/45/67/475044567.db2.gz XCWFMYZBGZGPFH-JWTNVVGKSA-N 1 0 330.476 2.519 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)c1O ZINC000293671651 475047209 /nfs/dbraw/zinc/04/72/09/475047209.db2.gz JMVSFHCJOHLZDH-UHTWSYAYSA-N 1 0 344.249 2.654 20 10 EFCDRO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000293698131 475049296 /nfs/dbraw/zinc/04/92/96/475049296.db2.gz LFJVDGZDHOBYSJ-MRXNPFEDSA-N 1 0 347.503 2.650 20 10 EFCDRO OCC1(c2ccccc2)CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000293828645 475053646 /nfs/dbraw/zinc/05/36/46/475053646.db2.gz GISAYQZWFDPFOE-UHFFFAOYSA-N 1 0 341.407 2.647 20 10 EFCDRO COc1cccc(C[NH+]2CCC(CO)(c3ccccc3)CC2)c1O ZINC000293916593 475057392 /nfs/dbraw/zinc/05/73/92/475057392.db2.gz MGRYAYRCYWPCND-UHFFFAOYSA-N 1 0 327.424 2.927 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1ccc(=O)[nH]n1 ZINC000286283915 475058525 /nfs/dbraw/zinc/05/85/25/475058525.db2.gz VVEDFELOZMBXEF-HNNXBMFYSA-N 1 0 326.444 2.857 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1ccc(=O)[nH]n1 ZINC000286283916 475058744 /nfs/dbraw/zinc/05/87/44/475058744.db2.gz VVEDFELOZMBXEF-OAHLLOKOSA-N 1 0 326.444 2.857 20 10 EFCDRO COc1cc(O)c(C[NH2+]C[C@@H](Cc2ccccc2)OC)cc1OC ZINC000294860015 475088318 /nfs/dbraw/zinc/08/83/18/475088318.db2.gz TUGVDJCLNCVMTP-MRXNPFEDSA-N 1 0 331.412 2.757 20 10 EFCDRO COC1CCN(c2ccc(C[NH2+][C@H](C)c3cnn(C)c3)cc2)CC1 ZINC000294893538 475089720 /nfs/dbraw/zinc/08/97/20/475089720.db2.gz DFHSAUGOMDMXDH-OAHLLOKOSA-N 1 0 328.460 2.886 20 10 EFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](n4cccn4)C3)cc2)CC1 ZINC000294938569 475093739 /nfs/dbraw/zinc/09/37/39/475093739.db2.gz AFHFJURNKXXXSH-LJQANCHMSA-N 1 0 340.471 2.945 20 10 EFCDRO Cc1nccnc1CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000295027685 475098092 /nfs/dbraw/zinc/09/80/92/475098092.db2.gz OGGPQKZYEJZAJE-CQSZACIVSA-N 1 0 344.434 2.654 20 10 EFCDRO COC1CCN(c2ccc(C[N@H+](C)C3(C(N)=O)CCCC3)cc2)CC1 ZINC000295030811 475098771 /nfs/dbraw/zinc/09/87/71/475098771.db2.gz VPHMCJZOXNUGFT-UHFFFAOYSA-N 1 0 345.487 2.532 20 10 EFCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@H](CO)c1ccc(Cl)cc1 ZINC000295048249 475099768 /nfs/dbraw/zinc/09/97/68/475099768.db2.gz NDRDPUVKEVPVRJ-CQSZACIVSA-N 1 0 335.787 2.940 20 10 EFCDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000295071696 475102310 /nfs/dbraw/zinc/10/23/10/475102310.db2.gz PIOWJQJADBTFDC-OAHLLOKOSA-N 1 0 348.226 2.711 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1 ZINC000295127878 475106416 /nfs/dbraw/zinc/10/64/16/475106416.db2.gz ODVNSUODFNBWSM-HSBZDZAISA-N 1 0 341.473 2.655 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+]CCc2cnc3c(Cl)cnn3c2)c1 ZINC000295159447 475107475 /nfs/dbraw/zinc/10/74/75/475107475.db2.gz RZDJPAJSRSFIBU-UHFFFAOYSA-N 1 0 346.818 2.819 20 10 EFCDRO C[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)C[N@@H+]1Cc1ccccc1 ZINC000295164205 475109686 /nfs/dbraw/zinc/10/96/86/475109686.db2.gz QWKIQPUWHNRRSW-JSGCOSHPSA-N 1 0 344.386 2.630 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@H]2CCN(c3ccccc3F)C2)cc1OC ZINC000292770246 475189991 /nfs/dbraw/zinc/18/99/91/475189991.db2.gz KJXHKSCFXZVAOL-AWEZNQCLSA-N 1 0 346.402 2.917 20 10 EFCDRO Cc1cnccc1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000296474107 475330666 /nfs/dbraw/zinc/33/06/66/475330666.db2.gz PSAGJDNAGRHDEG-UHFFFAOYSA-N 1 0 325.456 2.889 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000349895450 476015901 /nfs/dbraw/zinc/01/59/01/476015901.db2.gz PMGUBHHCAZNHAR-GOEBONIOSA-N 1 0 328.460 2.769 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000350034494 476033829 /nfs/dbraw/zinc/03/38/29/476033829.db2.gz QGGMBWOIYVRSNF-MRXNPFEDSA-N 1 0 340.471 2.865 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000350080047 476043304 /nfs/dbraw/zinc/04/33/04/476043304.db2.gz OLELSMFXKWOQMQ-HNNXBMFYSA-N 1 0 328.460 2.722 20 10 EFCDRO O=C(NCc1ccccc1O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000299535544 476142262 /nfs/dbraw/zinc/14/22/62/476142262.db2.gz UEFYGSMCIOQVEY-UHFFFAOYSA-N 1 0 349.500 2.553 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)c(O)c1C ZINC000359878974 476269899 /nfs/dbraw/zinc/26/98/99/476269899.db2.gz YPKDOACRGXVHRC-HOCLYGCPSA-N 1 0 342.443 2.589 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000368785008 476370900 /nfs/dbraw/zinc/37/09/00/476370900.db2.gz SRRSFRUUYXUGRE-FQEVSTJZSA-N 1 0 338.407 2.887 20 10 EFCDRO Cn1cc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)cn1 ZINC000368901804 476377703 /nfs/dbraw/zinc/37/77/03/476377703.db2.gz PIEDYJWNWWIKRZ-UHFFFAOYSA-N 1 0 336.386 2.780 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1 ZINC000373167213 476381680 /nfs/dbraw/zinc/38/16/80/476381680.db2.gz OZSBGGDHQKYWIO-RTBURBONSA-N 1 0 328.460 2.574 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000373257058 476389221 /nfs/dbraw/zinc/38/92/21/476389221.db2.gz RZYAMDIEUXBICS-LSDHHAIUSA-N 1 0 339.439 2.729 20 10 EFCDRO COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(O)c1 ZINC000373692694 476420781 /nfs/dbraw/zinc/42/07/81/476420781.db2.gz CZNOSZQLWYMQJV-SFHVURJKSA-N 1 0 340.423 2.682 20 10 EFCDRO COc1ccc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c(O)c1 ZINC000373696933 476421048 /nfs/dbraw/zinc/42/10/48/476421048.db2.gz PSBYHGGOXGCPQG-HNNXBMFYSA-N 1 0 332.444 2.672 20 10 EFCDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)n1-c1ccccn1 ZINC000373929782 476442068 /nfs/dbraw/zinc/44/20/68/476442068.db2.gz RYAWIQXISFLZJB-IRXDYDNUSA-N 1 0 338.455 2.846 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373932636 476442168 /nfs/dbraw/zinc/44/21/68/476442168.db2.gz IPPPNGTULCZYJP-PKOBYXMFSA-N 1 0 342.487 2.713 20 10 EFCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1C ZINC000374257939 476463302 /nfs/dbraw/zinc/46/33/02/476463302.db2.gz SOSXMBSKXXGZSV-IEBWSBKVSA-N 1 0 329.444 2.831 20 10 EFCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1C ZINC000374257940 476465418 /nfs/dbraw/zinc/46/54/18/476465418.db2.gz SOSXMBSKXXGZSV-MJGOQNOKSA-N 1 0 329.444 2.831 20 10 EFCDRO Cn1cc([C@H]([NH2+]Cc2cc3c(cc2O)OCO3)c2ccccc2)cn1 ZINC000374609700 476491690 /nfs/dbraw/zinc/49/16/90/476491690.db2.gz GPXIOLOURQNGBK-LJQANCHMSA-N 1 0 337.379 2.734 20 10 EFCDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000377690317 476523698 /nfs/dbraw/zinc/52/36/98/476523698.db2.gz FZQFDCJVAJBLOL-PXNSSMCTSA-N 1 0 329.488 2.582 20 10 EFCDRO CN1CCC([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000370110787 476670840 /nfs/dbraw/zinc/67/08/40/476670840.db2.gz JFLNXLYWBHNCHG-QGZVFWFLSA-N 1 0 337.895 2.694 20 10 EFCDRO COCCSCCC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000365955531 476780578 /nfs/dbraw/zinc/78/05/78/476780578.db2.gz NBLAIYXMGJMMES-UHFFFAOYSA-N 1 0 338.517 2.977 20 10 EFCDRO CCNC(=O)C1(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CCC1 ZINC000375428622 476832443 /nfs/dbraw/zinc/83/24/43/476832443.db2.gz OBOLHNGDEGFZMY-UHFFFAOYSA-N 1 0 345.487 2.560 20 10 EFCDRO C[NH2+]Cc1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000415928748 476971799 /nfs/dbraw/zinc/97/17/99/476971799.db2.gz HXTRHSNHYSHEPS-UHFFFAOYSA-N 1 0 340.427 2.903 20 10 EFCDRO Cc1cnn(C)c1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000375767851 476996426 /nfs/dbraw/zinc/99/64/26/476996426.db2.gz JXKZAHYXBVQQNW-INIZCTEOSA-N 1 0 348.878 2.842 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@](C)(O)C(F)(F)F)CC2)cc1 ZINC000371439730 477319626 /nfs/dbraw/zinc/31/96/26/477319626.db2.gz MJKWBHUMKAMJGZ-HNNXBMFYSA-N 1 0 332.366 2.567 20 10 EFCDRO Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c(O)c1O ZINC000371575114 477393323 /nfs/dbraw/zinc/39/33/23/477393323.db2.gz ZAUPNFPDLSJIRF-MRXNPFEDSA-N 1 0 340.423 2.753 20 10 EFCDRO Cc1cc(C[NH3+])cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000424426931 477402551 /nfs/dbraw/zinc/40/25/51/477402551.db2.gz NJPZVOBZPXKPAI-UHFFFAOYSA-N 1 0 340.427 2.951 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000418100030 477465687 /nfs/dbraw/zinc/46/56/87/477465687.db2.gz OPAIYDMCYSOOOA-CABCVRRESA-N 1 0 328.460 2.674 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418092551 477465705 /nfs/dbraw/zinc/46/57/05/477465705.db2.gz ALNZQQYBGHAGNY-HNNXBMFYSA-N 1 0 328.460 2.818 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418100035 477465976 /nfs/dbraw/zinc/46/59/76/477465976.db2.gz OPAIYDMCYSOOOA-HUUCEWRRSA-N 1 0 328.460 2.674 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000418100033 477466100 /nfs/dbraw/zinc/46/61/00/477466100.db2.gz OPAIYDMCYSOOOA-GJZGRUSLSA-N 1 0 328.460 2.674 20 10 EFCDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000372026089 477605051 /nfs/dbraw/zinc/60/50/51/477605051.db2.gz BAUAQPZBCZLGAC-UHFFFAOYSA-N 1 0 330.476 2.524 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000372437293 477797146 /nfs/dbraw/zinc/79/71/46/477797146.db2.gz MDWUFHLALGRGHC-UYAOXDASSA-N 1 0 327.472 2.635 20 10 EFCDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000372433242 477797164 /nfs/dbraw/zinc/79/71/64/477797164.db2.gz DDPLABICJBSOQY-GOSISDBHSA-N 1 0 340.471 2.636 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000471823438 478011636 /nfs/dbraw/zinc/01/16/36/478011636.db2.gz DUWQIOJVLOYSRS-ZDUSSCGKSA-N 1 0 328.460 2.769 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000471972036 478012769 /nfs/dbraw/zinc/01/27/69/478012769.db2.gz DNYNESHATNYWJF-HIFRSBDPSA-N 1 0 328.460 2.769 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[NH2+]C3(C)C)ccc21 ZINC000573454061 479072287 /nfs/dbraw/zinc/07/22/87/479072287.db2.gz GCRNFSMHAJCTLW-SFHVURJKSA-N 1 0 343.471 2.775 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[NH2+][C@@H](C)[C@@H]3C)ccc21 ZINC000566627260 479094713 /nfs/dbraw/zinc/09/47/13/479094713.db2.gz MOXAJIMOYAXIJS-HOCLYGCPSA-N 1 0 343.471 2.727 20 10 EFCDRO CC[NH2+][C@H](C)CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000567175360 479103418 /nfs/dbraw/zinc/10/34/18/479103418.db2.gz CJTVCPNFVJHJSO-CYBMUJFWSA-N 1 0 331.460 2.632 20 10 EFCDRO C[NH+](C)CCNC(=O)c1ccc(NCc2cccc(Cl)c2O)cc1 ZINC000529646110 479233605 /nfs/dbraw/zinc/23/36/05/479233605.db2.gz ZMNNJUCVBWLBMK-UHFFFAOYSA-N 1 0 347.846 2.949 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578489931 479606836 /nfs/dbraw/zinc/60/68/36/479606836.db2.gz ZWXNMNJMLWVFIX-FQEVSTJZSA-N 1 0 340.471 2.772 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC[C@H](C)[NH+](C)C)ccc21 ZINC000617752899 480352216 /nfs/dbraw/zinc/35/22/16/480352216.db2.gz XBXHFXIFRZGSCW-AWEZNQCLSA-N 1 0 345.487 2.975 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC[C@@H](C)[NH+](C)C)ccc21 ZINC000617752900 480352233 /nfs/dbraw/zinc/35/22/33/480352233.db2.gz XBXHFXIFRZGSCW-CQSZACIVSA-N 1 0 345.487 2.975 20 10 EFCDRO O=C(c1cccc2c1CC[NH2+]C2)N1C[C@@H]2CCCN2c2ccccc21 ZINC000662688987 481935291 /nfs/dbraw/zinc/93/52/91/481935291.db2.gz RRALWWQKOUNXNY-INIZCTEOSA-N 1 0 333.435 2.962 20 10 EFCDRO O=C(c1cccc2c1CC[NH2+]C2)N1C[C@H]2CCCN2c2ccccc21 ZINC000662688989 481935375 /nfs/dbraw/zinc/93/53/75/481935375.db2.gz RRALWWQKOUNXNY-MRXNPFEDSA-N 1 0 333.435 2.962 20 10 EFCDRO COC(=O)c1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c[nH]1 ZINC000160196118 533783718 /nfs/dbraw/zinc/78/37/18/533783718.db2.gz QHRBAHIDEZIBAC-INIZCTEOSA-N 1 0 344.411 2.688 20 10 EFCDRO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(Br)cc1O ZINC000185639356 533891556 /nfs/dbraw/zinc/89/15/56/533891556.db2.gz MPDOOBFVVKCAIH-ZANVPECISA-N 1 0 332.263 2.673 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCCOC[C@H]3CCOC3)CC2)cc1 ZINC000158202418 533999893 /nfs/dbraw/zinc/99/98/93/533999893.db2.gz ZZQJEJIKMUURCG-QGZVFWFLSA-N 1 0 348.487 2.697 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CCOCC2)c(O)c1 ZINC000184986469 534226657 /nfs/dbraw/zinc/22/66/57/534226657.db2.gz BMGDVWKVLGSCTF-HNNXBMFYSA-N 1 0 327.428 2.783 20 10 EFCDRO Fc1cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1N1CCOCC1 ZINC000159532291 534442189 /nfs/dbraw/zinc/44/21/89/534442189.db2.gz ORSXVFROPHRKTI-SNRMKQJTSA-N 1 0 346.446 2.710 20 10 EFCDRO CCCNC(=O)C[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000036780958 519880569 /nfs/dbraw/zinc/88/05/69/519880569.db2.gz OSGCXFUHQJCCPS-GFCCVEGCSA-N 1 0 329.238 2.722 20 10 EFCDRO Oc1ccccc1C[N@@H+](Cc1cnc2cnccn12)C[C@H]1CCCO1 ZINC000160176027 534456965 /nfs/dbraw/zinc/45/69/65/534456965.db2.gz VFPHOVWOOPJABT-QGZVFWFLSA-N 1 0 338.411 2.616 20 10 EFCDRO CC[C@H]([NH2+][C@H]1CCCCNC1=O)c1cc(Br)ccc1O ZINC000036977305 522751335 /nfs/dbraw/zinc/75/13/35/522751335.db2.gz SEIXQVHPPBRQNL-STQMWFEESA-N 1 0 341.249 2.864 20 10 EFCDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000297877902 522876723 /nfs/dbraw/zinc/87/67/23/522876723.db2.gz UXMFDMFTYIDQNY-AEFFLSMTSA-N 1 0 329.396 2.720 20 10 EFCDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000297877909 522884753 /nfs/dbraw/zinc/88/47/53/522884753.db2.gz UXMFDMFTYIDQNY-SJLPKXTDSA-N 1 0 329.396 2.720 20 10 EFCDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000173292311 528252631 /nfs/dbraw/zinc/25/26/31/528252631.db2.gz JKJALFRCKHIXKA-LJQANCHMSA-N 1 0 342.487 2.689 20 10 EFCDRO CCOC(=O)COc1ccc(CC[NH2+]Cc2ccccc2O)cc1 ZINC000174642847 528841620 /nfs/dbraw/zinc/84/16/20/528841620.db2.gz SJKJCDJQGWMRAO-UHFFFAOYSA-N 1 0 329.396 2.666 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C(\C)C3CC3)cc2F)CC1 ZINC000171520306 529152929 /nfs/dbraw/zinc/15/29/29/529152929.db2.gz AHLWFBKJLQXWAS-NTCAYCPXSA-N 1 0 345.462 2.940 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc[nH]c3C)cc2F)CC1 ZINC000176299741 529153309 /nfs/dbraw/zinc/15/33/09/529153309.db2.gz NQXWJCVWHQFCCH-UHFFFAOYSA-N 1 0 344.434 2.534 20 10 EFCDRO CCOc1cccc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1O ZINC000263707598 535460549 /nfs/dbraw/zinc/46/05/49/535460549.db2.gz SPGUTADZVNXSRN-OAHLLOKOSA-N 1 0 333.403 2.871 20 10 EFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)cc1 ZINC000370615256 535765161 /nfs/dbraw/zinc/76/51/61/535765161.db2.gz ATRKERPDGCKPIW-DOTOQJQBSA-N 1 0 327.476 2.806 20 10 EFCDRO CC[C@@H]([NH2+]C[C@@H](COC)OC)c1cc(Br)ccc1O ZINC000229574275 535804607 /nfs/dbraw/zinc/80/46/07/535804607.db2.gz ORNBFWIVRJJXLS-WCQYABFASA-N 1 0 332.238 2.857 20 10 EFCDRO CCn1nccc1N1CCC[C@H]([NH2+]Cc2cc(C)c(C)cc2O)C1=O ZINC000191643205 535873211 /nfs/dbraw/zinc/87/32/11/535873211.db2.gz UBGURZWXBZNGEN-INIZCTEOSA-N 1 0 342.443 2.511 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)c2C)cc1 ZINC000262893789 536552675 /nfs/dbraw/zinc/55/26/75/536552675.db2.gz OUZRIAMIUXMLGO-CZUORRHYSA-N 1 0 341.455 2.973 20 10 EFCDRO COC[C@@H](CCO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295770265 536610061 /nfs/dbraw/zinc/61/00/61/536610061.db2.gz QVISUKWDHCQQTN-MRXNPFEDSA-N 1 0 334.485 2.872 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CC(=O)N(C(C)(C)C)C3)CC2)cc1 ZINC000362292459 536669476 /nfs/dbraw/zinc/66/94/76/536669476.db2.gz BLEBJFOFZSYTCX-MRXNPFEDSA-N 1 0 345.487 2.653 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCCN(C(C)=O)C3)CC2)cc1 ZINC000366826763 536670208 /nfs/dbraw/zinc/67/02/08/536670208.db2.gz MCZUUAZMYOHOHI-QGZVFWFLSA-N 1 0 345.487 2.512 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3ccc(C)o3)CC2)cc1 ZINC000299328218 536699114 /nfs/dbraw/zinc/69/91/14/536699114.db2.gz KOMINACWHDYAAZ-UHFFFAOYSA-N 1 0 329.444 2.508 20 10 EFCDRO COc1c(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000290886610 536861419 /nfs/dbraw/zinc/86/14/19/536861419.db2.gz LBXYCRBHMVMBNT-PBHICJAKSA-N 1 0 348.399 2.843 20 10 EFCDRO COc1cccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c1O ZINC000369990671 537107942 /nfs/dbraw/zinc/10/79/42/537107942.db2.gz HTPQCCAWUMVHTM-AWEZNQCLSA-N 1 0 327.384 2.539 20 10 EFCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000526988403 546305926 /nfs/dbraw/zinc/30/59/26/546305926.db2.gz ZDDKTPWYODBXSO-UHFFFAOYSA-N 1 0 346.438 2.967 20 10 EFCDRO COc1cc(C[NH+]2CCC(CC(N)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000754728004 575478875 /nfs/dbraw/zinc/47/88/75/575478875.db2.gz UMAHFGBMVBWMBF-UHFFFAOYSA-N 1 0 334.460 2.786 20 10 EFCDRO CN(C)c1ccc(CNC(=O)C[NH2+]C(C)(C)c2cccs2)cc1 ZINC000754829646 575498216 /nfs/dbraw/zinc/49/82/16/575498216.db2.gz IFDWVBJXGLDMHI-UHFFFAOYSA-N 1 0 331.485 2.955 20 10 EFCDRO CC(=O)N1CCC([NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000756363915 575723730 /nfs/dbraw/zinc/72/37/30/575723730.db2.gz QNHGJUBDQFSHIE-SNVBAGLBSA-N 1 0 341.249 2.816 20 10 EFCDRO CC(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000756363351 575723745 /nfs/dbraw/zinc/72/37/45/575723745.db2.gz QNHGJUBDQFSHIE-JTQLQIEISA-N 1 0 341.249 2.816 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(NS(C)(=O)=O)c2)c(O)c1 ZINC000756383557 575727414 /nfs/dbraw/zinc/72/74/14/575727414.db2.gz JZTWNMMXUZFOOP-ZDUSSCGKSA-N 1 0 334.441 2.923 20 10 EFCDRO CCC[C@H](C)C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000756387806 575728377 /nfs/dbraw/zinc/72/83/77/575728377.db2.gz MISLJKKWUCKPMS-LPHOPBHVSA-N 1 0 347.503 2.808 20 10 EFCDRO C[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1cc(F)ccc1O ZINC000756454711 575742269 /nfs/dbraw/zinc/74/22/69/575742269.db2.gz FCIYPOYILFTTOR-CYBMUJFWSA-N 1 0 337.416 2.797 20 10 EFCDRO C[C@H]1C[C@@H]([NH2+]CC(=O)NCc2ccccc2)c2c1c(F)ccc2O ZINC000756477448 575745668 /nfs/dbraw/zinc/74/56/68/575745668.db2.gz ZHTNFEJBLMEQLT-SWLSCSKDSA-N 1 0 328.387 2.986 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(Br)cc1O ZINC000756510564 575752062 /nfs/dbraw/zinc/75/20/62/575752062.db2.gz KHOWBGRXXCJUFI-ZWNOBZJWSA-N 1 0 344.249 2.593 20 10 EFCDRO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(F)cc(F)c1[O-] ZINC000756562968 575762807 /nfs/dbraw/zinc/76/28/07/575762807.db2.gz KJQXMMHWFLLCRI-TZMCWYRMSA-N 1 0 328.403 2.558 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(CCC(=O)N(C)C)CC2)c(O)c1C ZINC000756563302 575763230 /nfs/dbraw/zinc/76/32/30/575763230.db2.gz OCJOYYPENBJNNS-MRXNPFEDSA-N 1 0 347.503 2.602 20 10 EFCDRO C[C@H]([NH2+]CCNc1cnccn1)c1ccc(Br)cc1O ZINC000756647388 575772201 /nfs/dbraw/zinc/77/22/01/575772201.db2.gz UAIPJYQJMUUIIF-JTQLQIEISA-N 1 0 337.221 2.707 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c2c1c(F)ccc2O ZINC000756709438 575779694 /nfs/dbraw/zinc/77/96/94/575779694.db2.gz ZKRXUMJPTARLLJ-ZYHUDNBSSA-N 1 0 329.437 2.883 20 10 EFCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1cc(Br)ccc1O ZINC000756761887 575784662 /nfs/dbraw/zinc/78/46/62/575784662.db2.gz VOCHXMDITQXXFM-PGUXBMHVSA-N 1 0 343.265 2.524 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)[C@@H]1CN(C)CCO1 ZINC000756761890 575784695 /nfs/dbraw/zinc/78/46/95/575784695.db2.gz VOCHXMDITQXXFM-RWSFTLGLSA-N 1 0 343.265 2.524 20 10 EFCDRO C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc(F)cc(F)c1[O-] ZINC000756764903 575785161 /nfs/dbraw/zinc/78/51/61/575785161.db2.gz LPVXDEVVJXZAKB-MZPVMMEZSA-N 1 0 340.414 2.699 20 10 EFCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000756774612 575785809 /nfs/dbraw/zinc/78/58/09/575785809.db2.gz KNAKCKUTEJXFBF-NDMJEZRESA-N 1 0 341.249 2.720 20 10 EFCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cc(Cl)ccc1O ZINC000756837963 575790595 /nfs/dbraw/zinc/79/05/95/575790595.db2.gz KHVIEAGBDCBFPC-ZETOZRRWSA-N 1 0 348.834 2.624 20 10 EFCDRO CC[N@H+](CCNC(=O)/C=C/c1ccc(O)c(O)c1)CCC(F)(F)F ZINC000757619013 575845543 /nfs/dbraw/zinc/84/55/43/575845543.db2.gz REAPYCPGWNGVSW-GQCTYLIASA-N 1 0 346.349 2.502 20 10 EFCDRO C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(Br)cc1O ZINC000757659896 575848104 /nfs/dbraw/zinc/84/81/04/575848104.db2.gz UGOYKMPERUXWDP-HZMBPMFUSA-N 1 0 344.249 2.593 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc(F)ccc1O ZINC000757659705 575848120 /nfs/dbraw/zinc/84/81/20/575848120.db2.gz ZLFIWYVDCVPENS-CXAGYDPISA-N 1 0 343.402 2.768 20 10 EFCDRO NC(=O)[C@H](C[NH2+]Cc1cc(F)ccc1O)Cc1ccccc1Cl ZINC000757908036 575855576 /nfs/dbraw/zinc/85/55/76/575855576.db2.gz XNEONAKWFUWSMD-ZDUSSCGKSA-N 1 0 336.794 2.619 20 10 EFCDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2O)cc1Cl ZINC000758523424 575871523 /nfs/dbraw/zinc/87/15/23/575871523.db2.gz UVMSSQWULSIWSI-UHFFFAOYSA-N 1 0 325.817 2.739 20 10 EFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000758851765 575878750 /nfs/dbraw/zinc/87/87/50/575878750.db2.gz IYWUYBFMBQJYRL-UONOGXRCSA-N 1 0 335.448 2.635 20 10 EFCDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000759579919 575904266 /nfs/dbraw/zinc/90/42/66/575904266.db2.gz LYYWLDCGQSCRES-CYBMUJFWSA-N 1 0 342.534 2.656 20 10 EFCDRO COc1ccc(N2CC[NH+](CCNc3cc(C)ccn3)CC2)cc1 ZINC000759692500 575921963 /nfs/dbraw/zinc/92/19/63/575921963.db2.gz OFNRTEGNEFQAGY-UHFFFAOYSA-N 1 0 326.444 2.633 20 10 EFCDRO COC(=O)C1=C(C)O[C@@H](C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000759846004 575944954 /nfs/dbraw/zinc/94/49/54/575944954.db2.gz SAVRBJMRZGGIQG-GOSISDBHSA-N 1 0 344.455 2.953 20 10 EFCDRO CC(C)[N@H+](CC[C@@H]1CCS(=O)(=O)C1)Cc1ccc(N(C)C)cc1 ZINC000760817939 576077144 /nfs/dbraw/zinc/07/71/44/576077144.db2.gz MVCLWODRFZAWSI-QGZVFWFLSA-N 1 0 338.517 2.788 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000760886645 576085125 /nfs/dbraw/zinc/08/51/25/576085125.db2.gz CIGOCNJPQWYLIB-SFHVURJKSA-N 1 0 349.544 2.927 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000760898830 576086165 /nfs/dbraw/zinc/08/61/65/576086165.db2.gz STSSMXAFNKYLAP-CQSZACIVSA-N 1 0 334.460 2.951 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000760898828 576086221 /nfs/dbraw/zinc/08/62/21/576086221.db2.gz STSSMXAFNKYLAP-AWEZNQCLSA-N 1 0 334.460 2.951 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c1O ZINC000761199346 576128389 /nfs/dbraw/zinc/12/83/89/576128389.db2.gz LRKBRGACVHSNLP-AWEZNQCLSA-N 1 0 338.835 2.641 20 10 EFCDRO COc1cccc(C[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)c1O ZINC000761215238 576130776 /nfs/dbraw/zinc/13/07/76/576130776.db2.gz HJGAIWHOBSKCAH-UHFFFAOYSA-N 1 0 334.460 2.870 20 10 EFCDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1cc(Br)ccc1O ZINC000761215532 576130781 /nfs/dbraw/zinc/13/07/81/576130781.db2.gz JPUYEHXNSWDAMW-AWEZNQCLSA-N 1 0 327.266 2.927 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1O ZINC000761216891 576131133 /nfs/dbraw/zinc/13/11/33/576131133.db2.gz ZJEFWRZBCWLMNV-CQSZACIVSA-N 1 0 341.835 2.872 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1F ZINC000761230409 576133643 /nfs/dbraw/zinc/13/36/43/576133643.db2.gz XHYHTGCXTUJOLU-MRXNPFEDSA-N 1 0 348.466 2.708 20 10 EFCDRO C[C@H]([NH2+]CCc1ccnn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000762778781 576330732 /nfs/dbraw/zinc/33/07/32/576330732.db2.gz OLSGKPCEXCIJMG-AWEZNQCLSA-N 1 0 348.878 2.803 20 10 EFCDRO C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762789410 576331436 /nfs/dbraw/zinc/33/14/36/576331436.db2.gz UVGGYPFJCMFFMD-DNVCBOLYSA-N 1 0 335.467 2.533 20 10 EFCDRO C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000762790205 576331700 /nfs/dbraw/zinc/33/17/00/576331700.db2.gz YQZBYXJFCUHEQL-FXAWDEMLSA-N 1 0 331.504 2.784 20 10 EFCDRO COc1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)ccn1 ZINC000762926833 576348025 /nfs/dbraw/zinc/34/80/25/576348025.db2.gz VLUSRYQNYNCMIY-KRWDZBQOSA-N 1 0 328.412 2.977 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H](S(C)(=O)=O)C3)c2c1 ZINC000763379822 576375044 /nfs/dbraw/zinc/37/50/44/576375044.db2.gz GCOFEEJPXVLMGK-HNNXBMFYSA-N 1 0 349.452 2.563 20 10 EFCDRO OCC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C1CCOCC1 ZINC000763467803 576378403 /nfs/dbraw/zinc/37/84/03/576378403.db2.gz STCKWCAVZPXJFL-HXUWFJFHSA-N 1 0 332.488 2.944 20 10 EFCDRO CC[N@H+](CCc1ccccc1)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000764191195 576439904 /nfs/dbraw/zinc/43/99/04/576439904.db2.gz FNOTUUQJOWHHMD-UHFFFAOYSA-N 1 0 339.483 2.933 20 10 EFCDRO C[NH+](C)C1CCN(c2ccc(NC(=O)C3=CC(=O)CS3)nc2)CC1 ZINC000764337217 576449258 /nfs/dbraw/zinc/44/92/58/576449258.db2.gz AUKJOGMSLGUDKM-UHFFFAOYSA-N 1 0 346.456 2.631 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000764850054 576511861 /nfs/dbraw/zinc/51/18/61/576511861.db2.gz JZVDLKXYHVRQIX-UKRRQHHQSA-N 1 0 347.459 2.778 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C(C)C)C3CC3)CC2)cc1 ZINC000765401557 577038515 /nfs/dbraw/zinc/03/85/15/577038515.db2.gz MAJXHXHHJCMGDC-FQEVSTJZSA-N 1 0 331.504 2.841 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3ccoc3)CC2)cc1 ZINC000765403071 577038524 /nfs/dbraw/zinc/03/85/24/577038524.db2.gz QNAVJRQVDBYRRO-MRXNPFEDSA-N 1 0 329.444 2.761 20 10 EFCDRO CC[C@H]1CCC[C@@H]1[NH2+]CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000765403090 577038539 /nfs/dbraw/zinc/03/85/39/577038539.db2.gz QYHABHFPEKCZPW-PXNSSMCTSA-N 1 0 331.504 2.986 20 10 EFCDRO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000765752099 577072873 /nfs/dbraw/zinc/07/28/73/577072873.db2.gz BBFXLNWQCYRXNE-CQSZACIVSA-N 1 0 342.480 2.901 20 10 EFCDRO C[NH+](C)CCCCC(=O)NCc1cccc(Br)c1O ZINC000765757597 577073337 /nfs/dbraw/zinc/07/33/37/577073337.db2.gz ROINHOFZDRHQIA-UHFFFAOYSA-N 1 0 329.238 2.503 20 10 EFCDRO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(O)c1O ZINC000765808819 577079628 /nfs/dbraw/zinc/07/96/28/577079628.db2.gz JMMWHOKDTPBUKM-WMLDXEAASA-N 1 0 340.423 2.657 20 10 EFCDRO CCCCC[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979401 577094757 /nfs/dbraw/zinc/09/47/57/577094757.db2.gz SMEQDKKVCPJYGM-INIZCTEOSA-N 1 0 338.517 2.980 20 10 EFCDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979187 577094814 /nfs/dbraw/zinc/09/48/14/577094814.db2.gz JEZQTTRTUQSLHN-CRAIPNDOSA-N 1 0 336.501 2.590 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)c3ccc(C)o3)CC2)cc1 ZINC000766136182 577113269 /nfs/dbraw/zinc/11/32/69/577113269.db2.gz BWFOIRUUWWUHRW-GOSISDBHSA-N 1 0 330.428 2.889 20 10 EFCDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc(N(C)C)cc2C)C[C@@H]1C ZINC000766244930 577125878 /nfs/dbraw/zinc/12/58/78/577125878.db2.gz FGBHQVVETZIALT-JKSUJKDBSA-N 1 0 332.492 2.685 20 10 EFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@@H]1C ZINC000766250920 577127203 /nfs/dbraw/zinc/12/72/03/577127203.db2.gz LUWPDQXVVGKYEA-HOTGVXAUSA-N 1 0 344.503 2.693 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccn1 ZINC000766726631 577179882 /nfs/dbraw/zinc/17/98/82/577179882.db2.gz VSSYADKEDJDGLQ-NVXWUHKLSA-N 1 0 338.455 2.634 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccn1 ZINC000766726632 577179885 /nfs/dbraw/zinc/17/98/85/577179885.db2.gz VSSYADKEDJDGLQ-RDJZCZTQSA-N 1 0 338.455 2.634 20 10 EFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](CO)[C@H](C)c2ccccc2)c1O ZINC000766978041 577190595 /nfs/dbraw/zinc/19/05/95/577190595.db2.gz NJUCYTRBIUTYGJ-KZULUSFZSA-N 1 0 331.387 2.988 20 10 EFCDRO Oc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC000767726587 577230607 /nfs/dbraw/zinc/23/06/07/577230607.db2.gz DTUXYKPEVYZLGC-LJQANCHMSA-N 1 0 338.451 2.876 20 10 EFCDRO CC1(C)CCCN(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000767738448 577231070 /nfs/dbraw/zinc/23/10/70/577231070.db2.gz KKUPDUBEGHJSEM-UHFFFAOYSA-N 1 0 349.494 2.874 20 10 EFCDRO COc1cc(Br)cc(C[N@H+](CCO)C2CCCC2)c1O ZINC000768137685 577257053 /nfs/dbraw/zinc/25/70/53/577257053.db2.gz MOULBBXSTRGVPZ-UHFFFAOYSA-N 1 0 344.249 2.900 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000768152767 577258027 /nfs/dbraw/zinc/25/80/27/577258027.db2.gz XVNTXUAJIYUCHK-UHFFFAOYSA-N 1 0 343.383 2.631 20 10 EFCDRO CN(C)C(=O)N1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000768299274 577265026 /nfs/dbraw/zinc/26/50/26/577265026.db2.gz KCYIQGGPLJANIL-UHFFFAOYSA-N 1 0 339.439 2.858 20 10 EFCDRO CCCCCNC(=O)C1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000768311713 577265652 /nfs/dbraw/zinc/26/56/52/577265652.db2.gz JHZZFPSXZHUJBA-UHFFFAOYSA-N 1 0 334.460 2.919 20 10 EFCDRO COc1cccc(C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c1O ZINC000768421984 577272799 /nfs/dbraw/zinc/27/27/99/577272799.db2.gz CNOBARRPUCBKFK-UHFFFAOYSA-N 1 0 340.423 2.925 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)cc1 ZINC000768440782 577273785 /nfs/dbraw/zinc/27/37/85/577273785.db2.gz DRNNMJQXZKKSCH-GOSISDBHSA-N 1 0 328.412 2.516 20 10 EFCDRO COc1ccc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)cc1F ZINC000768443192 577273969 /nfs/dbraw/zinc/27/39/69/577273969.db2.gz ZXCKDZSOYCPHSY-INIZCTEOSA-N 1 0 333.359 2.598 20 10 EFCDRO COc1ccc([C@H]2CC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)cc1 ZINC000768444720 577274040 /nfs/dbraw/zinc/27/40/40/577274040.db2.gz NVCZIHITRSMBDF-IFXJQAMLSA-N 1 0 341.407 2.816 20 10 EFCDRO Cc1cccc(OCC[N@@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)c1 ZINC000768446484 577274309 /nfs/dbraw/zinc/27/43/09/577274309.db2.gz YEBNSRCFLNWLDS-SFHVURJKSA-N 1 0 329.396 2.637 20 10 EFCDRO C[C@@]1(c2ccccc2)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000768462725 577275919 /nfs/dbraw/zinc/27/59/19/577275919.db2.gz CFSJHFKWWIYWHK-ICSRJNTNSA-N 1 0 341.407 2.566 20 10 EFCDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OC[C@H]3O)n1 ZINC000768463660 577276004 /nfs/dbraw/zinc/27/60/04/577276004.db2.gz VNZMXCBUOVBQMA-SJLPKXTDSA-N 1 0 326.396 2.859 20 10 EFCDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462504 577276070 /nfs/dbraw/zinc/27/60/70/577276070.db2.gz MCJVXRWQSKAXCY-RYQLBKOJSA-N 1 0 335.444 2.844 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CCN(c2nccc(C(C)C)n2)CC1 ZINC000768533633 577281316 /nfs/dbraw/zinc/28/13/16/577281316.db2.gz IARMMTTWFHKGIQ-UHFFFAOYSA-N 1 0 342.443 2.636 20 10 EFCDRO OC[C@H](C[NH2+]Cc1cc(Br)ccc1O)Cc1ccco1 ZINC000768842115 577308383 /nfs/dbraw/zinc/30/83/83/577308383.db2.gz QGNGOZCBAJCORQ-NSHDSACASA-N 1 0 340.217 2.689 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000768919902 577316381 /nfs/dbraw/zinc/31/63/81/577316381.db2.gz INIWAHDYIZJKBY-UHFFFAOYSA-N 1 0 346.452 2.810 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1F ZINC000768938373 577318337 /nfs/dbraw/zinc/31/83/37/577318337.db2.gz YVBNAOLQASTJBF-SFHVURJKSA-N 1 0 349.494 2.969 20 10 EFCDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 ZINC000769108123 577334805 /nfs/dbraw/zinc/33/48/05/577334805.db2.gz LMACCHNPNDYWFH-JFIYKMOQSA-N 1 0 349.494 2.965 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC000769106977 577334824 /nfs/dbraw/zinc/33/48/24/577334824.db2.gz HZVVLEJCRLUIDA-JFIYKMOQSA-N 1 0 348.487 2.865 20 10 EFCDRO Fc1cc(CN2CCC[C@H]2C[NH+]2CCCC2)ccc1N1CCOCC1 ZINC000769143530 577338737 /nfs/dbraw/zinc/33/87/37/577338737.db2.gz CEAVJHGKJMOELI-SFHVURJKSA-N 1 0 347.478 2.723 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c(O)c1 ZINC000769206471 577344455 /nfs/dbraw/zinc/34/44/55/577344455.db2.gz LIOZEPZUWDMLDF-HNNXBMFYSA-N 1 0 334.460 2.775 20 10 EFCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC000769209798 577344623 /nfs/dbraw/zinc/34/46/23/577344623.db2.gz VBXRYXSUULXFPX-INIZCTEOSA-N 1 0 334.460 2.919 20 10 EFCDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000726182968 577353987 /nfs/dbraw/zinc/35/39/87/577353987.db2.gz PPRQPBOOAJKZJW-OAHLLOKOSA-N 1 0 341.455 2.925 20 10 EFCDRO COC[C@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000769403660 577359831 /nfs/dbraw/zinc/35/98/31/577359831.db2.gz UNBPTSPLNASMOS-JTQLQIEISA-N 1 0 330.222 2.632 20 10 EFCDRO COC[C@@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000769403662 577359851 /nfs/dbraw/zinc/35/98/51/577359851.db2.gz UNBPTSPLNASMOS-SNVBAGLBSA-N 1 0 330.222 2.632 20 10 EFCDRO COc1cc(Br)cc(C[N@H+](C)Cc2cn[nH]c2)c1O ZINC000769425174 577361771 /nfs/dbraw/zinc/36/17/71/577361771.db2.gz OUMSYDUHLRMWGI-UHFFFAOYSA-N 1 0 326.194 2.518 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CCN([C@H](C)c2cccnc2)CC1 ZINC000769425897 577361799 /nfs/dbraw/zinc/36/17/99/577361799.db2.gz YPHCUZZIUQZDTK-OAHLLOKOSA-N 1 0 327.428 2.675 20 10 EFCDRO Cc1cccc(C[N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000769478038 577365512 /nfs/dbraw/zinc/36/55/12/577365512.db2.gz BNLQTUQZZSZDMF-UHFFFAOYSA-N 1 0 329.419 2.998 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)CC(C)(C)CN2CCOCC2)cc1F ZINC000769516963 577369397 /nfs/dbraw/zinc/36/93/97/577369397.db2.gz WXHAZLUTWMEZTR-UHFFFAOYSA-N 1 0 337.483 2.682 20 10 EFCDRO FC(F)(F)CSCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000769687858 577378772 /nfs/dbraw/zinc/37/87/72/577378772.db2.gz BWHLRVWSXQGZIQ-UHFFFAOYSA-N 1 0 334.407 2.908 20 10 EFCDRO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC12CCC2 ZINC000771465378 581214816 /nfs/dbraw/zinc/21/48/16/581214816.db2.gz UXGMBGOEPXVQIC-MRXNPFEDSA-N 1 0 329.488 2.881 20 10 EFCDRO Cc1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c(O)c1O ZINC000771505918 581219539 /nfs/dbraw/zinc/21/95/39/581219539.db2.gz DPUNXQPIYTWFDZ-CZUORRHYSA-N 1 0 328.412 2.827 20 10 EFCDRO C[NH+]1CCN(c2ccc(/C=C3/N=C(C(C)(C)C)OC3=O)cc2)CC1 ZINC000771520624 581220305 /nfs/dbraw/zinc/22/03/05/581220305.db2.gz NSWLBTKQYOOCMF-DTQAZKPQSA-N 1 0 327.428 2.781 20 10 EFCDRO C[C@@H]([NH2+]CC(C)(C)CO)c1ccc(N2CCOCC2)cc1Cl ZINC000773071938 581393839 /nfs/dbraw/zinc/39/38/39/581393839.db2.gz LSAFTVKORXWSPS-CYBMUJFWSA-N 1 0 326.868 2.846 20 10 EFCDRO C[C@@H]([NH2+][C@H](CO)CC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000773107564 581396887 /nfs/dbraw/zinc/39/68/87/581396887.db2.gz XPZBJEISVVCLFI-HIFRSBDPSA-N 1 0 338.879 2.988 20 10 EFCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)ncn1 ZINC000773108460 581397227 /nfs/dbraw/zinc/39/72/27/581397227.db2.gz YPCAFDHDEFPBQP-AWEZNQCLSA-N 1 0 330.407 2.612 20 10 EFCDRO Cc1cc(C(=O)N(CC[NH+](C)C)C2CC2)c(C)n1-c1ccccn1 ZINC000773110223 581397489 /nfs/dbraw/zinc/39/74/89/581397489.db2.gz HDRGPGFSOVOQMP-UHFFFAOYSA-N 1 0 326.444 2.655 20 10 EFCDRO CC(C)[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773130976 581399624 /nfs/dbraw/zinc/39/96/24/581399624.db2.gz WEPWCMNVMFXUHA-HNNXBMFYSA-N 1 0 332.492 2.986 20 10 EFCDRO C[C@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773217067 581406556 /nfs/dbraw/zinc/40/65/56/581406556.db2.gz HCSHXDOBCGKRSY-CVEARBPZSA-N 1 0 332.492 2.845 20 10 EFCDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000773324532 581418932 /nfs/dbraw/zinc/41/89/32/581418932.db2.gz CUKGOKVXMKBXLU-SFHVURJKSA-N 1 0 335.400 2.532 20 10 EFCDRO CN1CCC2(CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)C1=O ZINC000773327466 581419592 /nfs/dbraw/zinc/41/95/92/581419592.db2.gz PMIQADPFOQNMHG-UHFFFAOYSA-N 1 0 328.456 2.715 20 10 EFCDRO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773371704 581423970 /nfs/dbraw/zinc/42/39/70/581423970.db2.gz ULTWRLWRZUALTB-IJEWVQPXSA-N 1 0 330.476 2.738 20 10 EFCDRO CCN(C)c1ccc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000773728611 581458582 /nfs/dbraw/zinc/45/85/82/581458582.db2.gz DOYUTHRAPWITMG-HXUWFJFHSA-N 1 0 331.504 2.829 20 10 EFCDRO CCN(C)c1ccc(C[N@H+](CCC(=O)OC)C2CCOCC2)cc1 ZINC000773754730 581461850 /nfs/dbraw/zinc/46/18/50/581461850.db2.gz NFPSBKIAFDHLDR-UHFFFAOYSA-N 1 0 334.460 2.687 20 10 EFCDRO COC[C@H](C)OC[C@H](O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000773758743 581462345 /nfs/dbraw/zinc/46/23/45/581462345.db2.gz XSUXDUBAQHFHLE-MAUKXSAKSA-N 1 0 337.460 2.549 20 10 EFCDRO Cc1cc(C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)ccc1N(C)C ZINC000774446530 581491750 /nfs/dbraw/zinc/49/17/50/581491750.db2.gz BYZDWRGMMHTQFM-CQSZACIVSA-N 1 0 347.484 2.559 20 10 EFCDRO C[C@H]([NH2+][C@@H](Cc1ccc(F)cc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774483803 581492557 /nfs/dbraw/zinc/49/25/57/581492557.db2.gz LZNZSFMPELZSDY-UGSOOPFHSA-N 1 0 329.419 2.639 20 10 EFCDRO COc1c(O)c(CN2CCC[N@@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000774863535 581502640 /nfs/dbraw/zinc/50/26/40/581502640.db2.gz OKPVATWKTLVXAG-UHFFFAOYSA-N 1 0 337.420 2.615 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ccc(N(C)C)cc1 ZINC000820426557 607057385 /nfs/dbraw/zinc/05/73/85/607057385.db2.gz LOTGIOKGFPTSRV-LBPRGKRZSA-N 1 0 340.406 2.923 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ccccc1O ZINC000825140900 608522259 /nfs/dbraw/zinc/52/22/59/608522259.db2.gz LVWVYTFZBXBVEM-OAHLLOKOSA-N 1 0 327.363 2.952 20 10 EFCDRO COc1cc(C[NH2+]C[C@H](O)COCC(C)C)c(O)c(C(C)(C)C)c1 ZINC000850072244 1250258438 /nfs/dbraw/zinc/25/84/38/1250258438.db2.gz PRKICUCYJSBCAA-HNNXBMFYSA-N 1 0 339.476 2.821 20 10 EFCDRO CCCn1nccc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000850076949 1250266296 /nfs/dbraw/zinc/26/62/96/1250266296.db2.gz GTHGPKZHPLTYFR-INIZCTEOSA-N 1 0 328.460 2.981 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3cncc(OC)c3)CC2)cc1 ZINC000850114206 1250290229 /nfs/dbraw/zinc/29/02/29/1250290229.db2.gz BOMRJCFVZFSFHN-UHFFFAOYSA-N 1 0 327.428 2.857 20 10 EFCDRO COc1cc(C[NH2+]CCOC[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850129963 1250300319 /nfs/dbraw/zinc/30/03/19/1250300319.db2.gz CRFALURJLNKTSP-AWEZNQCLSA-N 1 0 337.460 2.841 20 10 EFCDRO COc1cc(C[NH2+][C@@H]2CCN(C(C)C)C2=O)c(O)c(C(C)(C)C)c1 ZINC000850136833 1250308996 /nfs/dbraw/zinc/30/89/96/1250308996.db2.gz FQEBXPZTOUMHPW-MRXNPFEDSA-N 1 0 334.460 2.797 20 10 EFCDRO COc1cc(C[NH2+][C@H](C)[C@H](CO)SC)c(O)c(C(C)(C)C)c1 ZINC000850153312 1250323162 /nfs/dbraw/zinc/32/31/62/1250323162.db2.gz WROOKRLNHDRMGQ-ABAIWWIYSA-N 1 0 327.490 2.900 20 10 EFCDRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850190080 1250347261 /nfs/dbraw/zinc/34/72/61/1250347261.db2.gz DRNGIFRASIJIQN-CQSZACIVSA-N 1 0 349.475 2.592 20 10 EFCDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850231040 1250365356 /nfs/dbraw/zinc/36/53/56/1250365356.db2.gz ICPONGWUTYAFNE-HOCLYGCPSA-N 1 0 334.460 2.703 20 10 EFCDRO COc1cc(C[NH2+][C@H]2CCn3ccnc3C2)c(O)c(C(C)(C)C)c1 ZINC000850254777 1250381903 /nfs/dbraw/zinc/38/19/03/1250381903.db2.gz VKHQGKJWGDPTQB-AWEZNQCLSA-N 1 0 329.444 2.999 20 10 EFCDRO COC[C@@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H]1CCCO1 ZINC000850281104 1250395683 /nfs/dbraw/zinc/39/56/83/1250395683.db2.gz OTUQJTRZUZSJQE-SJORKVTESA-N 1 0 337.460 2.982 20 10 EFCDRO COc1cc(C[NH2+]C[C@H]2CCOC[C@H]2OC)c(O)c(C(C)(C)C)c1 ZINC000850315723 1250423343 /nfs/dbraw/zinc/42/33/43/1250423343.db2.gz KJELUDBQAYIOOH-CXAGYDPISA-N 1 0 337.460 2.839 20 10 EFCDRO CCCn1nccc1C[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850331461 1250436254 /nfs/dbraw/zinc/43/62/54/1250436254.db2.gz ZYMXKGGSBIMWKL-MRXNPFEDSA-N 1 0 328.460 2.918 20 10 EFCDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000850357011 1250447109 /nfs/dbraw/zinc/44/71/09/1250447109.db2.gz VZRRVWHYNZBGSC-VPZZIHKRSA-N 1 0 346.290 2.934 20 10 EFCDRO COC(=O)N(C)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000850390549 1250462082 /nfs/dbraw/zinc/46/20/82/1250462082.db2.gz ZNNGJWJPLYXWHR-UHFFFAOYSA-N 1 0 333.354 2.559 20 10 EFCDRO COCc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000850405950 1250468090 /nfs/dbraw/zinc/46/80/90/1250468090.db2.gz LQAHVCFGJYPKPI-UHFFFAOYSA-N 1 0 330.428 2.677 20 10 EFCDRO CC(C)Cn1nccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406407 1250469544 /nfs/dbraw/zinc/46/95/44/1250469544.db2.gz FYFJPPSSYQSFET-UHFFFAOYSA-N 1 0 342.487 2.790 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCn4nccc43)cc2F)CC1 ZINC000850426910 1250481400 /nfs/dbraw/zinc/48/14/00/1250481400.db2.gz HJRWBCBDIPCGSL-QGZVFWFLSA-N 1 0 344.434 2.608 20 10 EFCDRO COc1ccc(N2C[C@H]([NH2+][C@H](C)c3ccccc3O)CC2=O)cc1 ZINC000850516037 1250519535 /nfs/dbraw/zinc/51/95/35/1250519535.db2.gz QWGHYBLOCDCPTH-ZIAGYGMSSA-N 1 0 326.396 2.857 20 10 EFCDRO COc1ccc(N2C[C@@H]([NH2+][C@@H](C)c3ccccc3O)CC2=O)cc1 ZINC000850516034 1250520499 /nfs/dbraw/zinc/52/04/99/1250520499.db2.gz QWGHYBLOCDCPTH-KBPBESRZSA-N 1 0 326.396 2.857 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850546001 1250530908 /nfs/dbraw/zinc/53/09/08/1250530908.db2.gz VLAOYPQRAZHIIZ-ZBFHGGJFSA-N 1 0 336.451 2.722 20 10 EFCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000850565578 1250538806 /nfs/dbraw/zinc/53/88/06/1250538806.db2.gz GRSFAUTWZNVKRK-MOPGFXCFSA-N 1 0 332.488 2.941 20 10 EFCDRO C[C@@H](Cc1ccncc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566636 1250539109 /nfs/dbraw/zinc/53/91/09/1250539109.db2.gz QGYFSKMYCMOEAP-INIZCTEOSA-N 1 0 325.456 2.764 20 10 EFCDRO C[NH2+]C[C@H](C)NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000851657313 1251181824 /nfs/dbraw/zinc/18/18/24/1251181824.db2.gz WZXVPOXGULLOAH-HNNXBMFYSA-N 1 0 332.492 2.863 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@@H](C)CO3)CC2)cc1C ZINC000996819413 1256177312 /nfs/dbraw/zinc/17/73/12/1256177312.db2.gz VVRJGEUKGLQHQH-KUHUBIRLSA-N 1 0 346.471 2.509 20 10 EFCDRO CN(C)c1ccnc(C[NH2+]Cc2cc(Br)ccc2O)c1 ZINC000922479135 1266114665 /nfs/dbraw/zinc/11/46/65/1266114665.db2.gz RAAPSZUZMJXOFG-UHFFFAOYSA-N 1 0 336.233 2.906 20 10 EFCDRO CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc(C)cc3O)C2)C1=O ZINC001272764980 1257678082 /nfs/dbraw/zinc/67/80/82/1257678082.db2.gz FKBNZWAPNFBGIN-FOIQADDNSA-N 1 0 344.455 2.840 20 10 EFCDRO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C)cc1O ZINC001272764924 1257681260 /nfs/dbraw/zinc/68/12/60/1257681260.db2.gz CTXKPVSKCQTXMB-FOIQADDNSA-N 1 0 344.455 2.635 20 10 EFCDRO O=C(NCCC[NH2+]Cc1ccc2c(c1)CCCO2)c1cccc(O)c1 ZINC000921650297 1259453352 /nfs/dbraw/zinc/45/33/52/1259453352.db2.gz PXLGOLZMZLUWPX-UHFFFAOYSA-N 1 0 340.423 2.627 20 10 EFCDRO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000921650965 1259460592 /nfs/dbraw/zinc/46/05/92/1259460592.db2.gz PUUVHXSCPPJVLQ-AWEZNQCLSA-N 1 0 341.407 2.852 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3ccco3)C2)cc1C ZINC000998375701 1259469905 /nfs/dbraw/zinc/46/99/05/1259469905.db2.gz ORQMBBZYKRBUGE-UHFFFAOYSA-N 1 0 328.412 2.989 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3ccc[nH]3)C2)cc1C ZINC000998454512 1259551936 /nfs/dbraw/zinc/55/19/36/1259551936.db2.gz OFDNPANGFATJJX-UHFFFAOYSA-N 1 0 327.428 2.725 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3cncs3)C2)cc1C ZINC000998664769 1259803121 /nfs/dbraw/zinc/80/31/21/1259803121.db2.gz HQYUUDRHHHEPHQ-OAHLLOKOSA-N 1 0 345.468 2.855 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3ncoc3C)C2)cc1C ZINC000998688756 1259829641 /nfs/dbraw/zinc/82/96/41/1259829641.db2.gz GBSYSBBIIPDVDI-MRXNPFEDSA-N 1 0 343.427 2.694 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3cscn3)C2)cc1C ZINC000998730895 1259881902 /nfs/dbraw/zinc/88/19/02/1259881902.db2.gz LQLGCBWAWKKIDR-HNNXBMFYSA-N 1 0 345.468 2.855 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C[C@H]3CCOC3)C2)cc1C ZINC000998806801 1259946453 /nfs/dbraw/zinc/94/64/53/1259946453.db2.gz RZDCZIZYULZISD-QZTJIDSGSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC3(F)F)C2)cc1C ZINC000999109441 1260226243 /nfs/dbraw/zinc/22/62/43/1260226243.db2.gz WYEZPHDXKCBOIG-GJZGRUSLSA-N 1 0 338.398 2.739 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3OCC[C@H]3C)C2)cc1C ZINC000999425833 1260615890 /nfs/dbraw/zinc/61/58/90/1260615890.db2.gz KRLAROJDQVTASR-WGPHAGCXSA-N 1 0 346.471 2.508 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C3CC(OC)C3)C2)cc1C ZINC000999448068 1260651516 /nfs/dbraw/zinc/65/15/16/1260651516.db2.gz HPOZZVFUOYJCEG-ADKAHSJRSA-N 1 0 346.471 2.509 20 10 EFCDRO C[C@@H](F)CC[NH+]1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001004243265 1266350291 /nfs/dbraw/zinc/35/02/91/1266350291.db2.gz PNGCLFPWPLYTLP-GFCCVEGCSA-N 1 0 349.410 2.791 20 10 EFCDRO CC[C@H](C)N1CCC2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)C1=O ZINC001272903023 1261293842 /nfs/dbraw/zinc/29/38/42/1261293842.db2.gz JUYLTEPLLWTEPD-AWEZNQCLSA-N 1 0 332.444 2.711 20 10 EFCDRO O=C(NC1CCCC1)[C@@H]1CC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001272903282 1261294561 /nfs/dbraw/zinc/29/45/61/1261294561.db2.gz PWDJCJWTQUBOPL-INIZCTEOSA-N 1 0 344.455 2.759 20 10 EFCDRO CC(C)CN1CC[C@@]2(CCC[N@H+](Cc3ccc(O)c(O)c3)CC2)C1=O ZINC001272902839 1261295052 /nfs/dbraw/zinc/29/50/52/1261295052.db2.gz HXVQCKPOQZBOTF-FQEVSTJZSA-N 1 0 346.471 2.958 20 10 EFCDRO O=C1N(C2CCCC2)CCC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001272903380 1261295683 /nfs/dbraw/zinc/29/56/83/1261295683.db2.gz SACUTCUSRVUIAI-UHFFFAOYSA-N 1 0 344.455 2.855 20 10 EFCDRO CC[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccc(N(C)C)cc3)C2)C1=O ZINC001272916982 1261328066 /nfs/dbraw/zinc/32/80/66/1261328066.db2.gz OCHOIMWNXVMCSM-OXJNMPFZSA-N 1 0 329.488 2.976 20 10 EFCDRO CC[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3ccc(N(C)C)cc3)C2)C1=O ZINC001272916986 1261328155 /nfs/dbraw/zinc/32/81/55/1261328155.db2.gz OCHOIMWNXVMCSM-UZLBHIALSA-N 1 0 329.488 2.976 20 10 EFCDRO CCCC(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001078316951 1261615799 /nfs/dbraw/zinc/61/57/99/1261615799.db2.gz GRVLMJPOGVJLAO-KRWDZBQOSA-N 1 0 334.460 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3(C)CC3)CCCO2)cc1C ZINC001078404964 1261762214 /nfs/dbraw/zinc/76/22/14/1261762214.db2.gz AJKWNEPUBSSFPV-QGZVFWFLSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC3(C)C)C[C@H]2C)cc1C ZINC001082479747 1263185152 /nfs/dbraw/zinc/18/51/52/1263185152.db2.gz OYOMUHDHNGWKBM-DJIMGWMZSA-N 1 0 330.472 2.986 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](F)C(C)C)C[C@H]2C)cc1C ZINC001082691647 1263278860 /nfs/dbraw/zinc/27/88/60/1263278860.db2.gz JJSXAQHMRLTWSA-KYJSFNMBSA-N 1 0 336.451 2.934 20 10 EFCDRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921936082 1263568890 /nfs/dbraw/zinc/56/88/90/1263568890.db2.gz NGKHQZOQGMJYON-OALUTQOASA-N 1 0 327.424 2.586 20 10 EFCDRO CS(=O)(=O)c1ccccc1CC[NH2+]Cc1c(O)cccc1Cl ZINC000922680599 1266567912 /nfs/dbraw/zinc/56/79/12/1266567912.db2.gz SYLWRGDILCHKHV-UHFFFAOYSA-N 1 0 339.844 2.781 20 10 EFCDRO NC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824645462 1278212114 /nfs/dbraw/zinc/21/21/14/1278212114.db2.gz JEGYIICVGIQDST-LLVKDONJSA-N 1 0 341.249 2.632 20 10 EFCDRO O[C@@H]1[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)CCC12CCOCC2 ZINC000922110617 1264414633 /nfs/dbraw/zinc/41/46/33/1264414633.db2.gz PTQVUYYNUOGCDR-PKOBYXMFSA-N 1 0 331.456 2.669 20 10 EFCDRO Brc1cnn(CC[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000922123030 1264443430 /nfs/dbraw/zinc/44/34/30/1264443430.db2.gz GEQSSPBZDAMOMA-UHFFFAOYSA-N 1 0 336.233 2.760 20 10 EFCDRO CC[C@@H](C)n1nccc1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001128445213 1264699646 /nfs/dbraw/zinc/69/96/46/1264699646.db2.gz SOQHMNLMDZCAHD-OAHLLOKOSA-N 1 0 344.459 2.691 20 10 EFCDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1cccc(Br)c1[O-])C(C)C ZINC000824677639 1278241154 /nfs/dbraw/zinc/24/11/54/1278241154.db2.gz HDQHFADTNRVWJU-ZDUSSCGKSA-N 1 0 343.265 2.747 20 10 EFCDRO CS(=O)(=O)Nc1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000733322220 1265168121 /nfs/dbraw/zinc/16/81/21/1265168121.db2.gz CXKATGJHWBDEAS-UHFFFAOYSA-N 1 0 340.832 2.707 20 10 EFCDRO O[C@@H]1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824715212 1278258940 /nfs/dbraw/zinc/25/89/40/1278258940.db2.gz JIDPERVSZVPPOH-ILZDJORESA-N 1 0 348.462 2.788 20 10 EFCDRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2ccc3c(c2)CCCO3)c[nH]1 ZINC000922295301 1265381144 /nfs/dbraw/zinc/38/11/44/1265381144.db2.gz WUONKSZCPXNWBY-APWZRJJASA-N 1 0 326.396 2.732 20 10 EFCDRO COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(C)ccc(C)c1O ZINC001273048987 1266784488 /nfs/dbraw/zinc/78/44/88/1266784488.db2.gz GODCKCKWJVTFSY-QZTJIDSGSA-N 1 0 346.471 2.611 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)c1 ZINC000922794238 1266828389 /nfs/dbraw/zinc/82/83/89/1266828389.db2.gz LYWGZDMCESRPLG-AWEZNQCLSA-N 1 0 336.432 2.890 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3nn(C)cc3Cl)CC2)cc1 ZINC000824758684 1278285234 /nfs/dbraw/zinc/28/52/34/1278285234.db2.gz ZPERQZLWRHMQOZ-UHFFFAOYSA-N 1 0 334.851 2.841 20 10 EFCDRO COC(=O)c1ccc(C[NH2+]Cc2cc(Br)ccc2O)o1 ZINC000734159368 1266896454 /nfs/dbraw/zinc/89/64/54/1266896454.db2.gz CQSXCYZGLYQEHA-UHFFFAOYSA-N 1 0 340.173 2.824 20 10 EFCDRO Cc1cc(O)c(CN2CC[NH+](CC3CCOCC3)CC2)cc1Cl ZINC000824802233 1278290361 /nfs/dbraw/zinc/29/03/61/1278290361.db2.gz JDRFGLDGCRDXSM-UHFFFAOYSA-N 1 0 338.879 2.898 20 10 EFCDRO CCOc1cccc(C[NH+]2CCN(c3ccnc(F)c3)CC2)c1O ZINC000824805951 1278293090 /nfs/dbraw/zinc/29/30/90/1278293090.db2.gz UOWXADNKCQOSIU-UHFFFAOYSA-N 1 0 331.391 2.647 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000734661390 1267058396 /nfs/dbraw/zinc/05/83/96/1267058396.db2.gz LNAGZVGRVWXKCX-NVXWUHKLSA-N 1 0 346.519 2.981 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000734687317 1267065341 /nfs/dbraw/zinc/06/53/41/1267065341.db2.gz USUIZYCZAFKYOX-KRWDZBQOSA-N 1 0 332.492 2.733 20 10 EFCDRO Cc1cccnc1CCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000824783484 1278306006 /nfs/dbraw/zinc/30/60/06/1278306006.db2.gz MKYLQMDFLVYDOJ-UHFFFAOYSA-N 1 0 325.456 2.949 20 10 EFCDRO CC[C@@H](C(=O)N1CCCN(c2ccc(OC)cc2)CC1)[NH+](CC)CC ZINC000735878871 1267440480 /nfs/dbraw/zinc/44/04/80/1267440480.db2.gz NRKRPDKGZNAKSW-IBGZPJMESA-N 1 0 347.503 2.854 20 10 EFCDRO CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085437012 1267472219 /nfs/dbraw/zinc/47/22/19/1267472219.db2.gz MZOCJGUFUQTOIZ-HUUCEWRRSA-N 1 0 331.420 2.890 20 10 EFCDRO CC[C@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[NH+](CC)CC ZINC000736007874 1267476032 /nfs/dbraw/zinc/47/60/32/1267476032.db2.gz XBVDOMCQQGDPKR-QFBILLFUSA-N 1 0 347.503 2.821 20 10 EFCDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000073917340 1267721893 /nfs/dbraw/zinc/72/18/93/1267721893.db2.gz MGRCJDBJYLHEKP-GOSISDBHSA-N 1 0 344.503 2.695 20 10 EFCDRO CCOc1cccc(C[NH2+][C@@H](C)C(=O)NCCc2ccccc2)c1O ZINC000825035692 1278391013 /nfs/dbraw/zinc/39/10/13/1278391013.db2.gz OVUUQMVSPNSJNE-HNNXBMFYSA-N 1 0 342.439 2.628 20 10 EFCDRO CCOc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)c(O)c1 ZINC000825046277 1278396267 /nfs/dbraw/zinc/39/62/67/1278396267.db2.gz RPDPSPTTYQZFLI-KBXCAEBGSA-N 1 0 331.416 2.534 20 10 EFCDRO CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001005002984 1268360049 /nfs/dbraw/zinc/36/00/49/1268360049.db2.gz MHIIIKNADBMYFZ-IUODEOHRSA-N 1 0 331.420 2.842 20 10 EFCDRO COc1cccc(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1O ZINC000825112992 1278414638 /nfs/dbraw/zinc/41/46/38/1278414638.db2.gz XRNUASPSMNCABR-UONOGXRCSA-N 1 0 340.423 2.857 20 10 EFCDRO COc1cccc(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1O ZINC000825112991 1278414839 /nfs/dbraw/zinc/41/48/39/1278414839.db2.gz XRNUASPSMNCABR-KGLIPLIRSA-N 1 0 340.423 2.857 20 10 EFCDRO C[C@H]1CCCN(CC[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825113475 1278416165 /nfs/dbraw/zinc/41/61/65/1278416165.db2.gz DSAUSPUZUOVXGG-LBPRGKRZSA-N 1 0 327.266 2.976 20 10 EFCDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000825117691 1278417841 /nfs/dbraw/zinc/41/78/41/1278417841.db2.gz JSWPXSUTPJFCLY-JLSDUUJJSA-N 1 0 345.443 2.884 20 10 EFCDRO CCOc1ccc(C[NH2+]C[C@@H](c2nnc[nH]2)c2ccccc2)c(O)c1 ZINC000825124425 1278421062 /nfs/dbraw/zinc/42/10/62/1278421062.db2.gz PTGBJWLSEFPSLK-QGZVFWFLSA-N 1 0 338.411 2.831 20 10 EFCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)c1 ZINC000164194163 1268676719 /nfs/dbraw/zinc/67/67/19/1268676719.db2.gz MCJDSBLLUYEYIG-UHFFFAOYSA-N 1 0 346.456 2.711 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)c2C)cc1 ZINC000825188720 1278470837 /nfs/dbraw/zinc/47/08/37/1278470837.db2.gz NFQHEFDVHMSRQK-CVEARBPZSA-N 1 0 341.455 2.960 20 10 EFCDRO COCC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC000825245303 1278484721 /nfs/dbraw/zinc/48/47/21/1278484721.db2.gz IIOSXJNKNATOED-UHFFFAOYSA-N 1 0 336.451 2.959 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994766 1269450063 /nfs/dbraw/zinc/45/00/63/1269450063.db2.gz UMAXCLXAJDFWAC-HNNXBMFYSA-N 1 0 331.420 2.651 20 10 EFCDRO CO[C@H](C[NH2+]Cc1ccc(Br)cc1O)C(F)(F)F ZINC000825254250 1278487971 /nfs/dbraw/zinc/48/79/71/1278487971.db2.gz OAQPENLVQKGGKR-SNVBAGLBSA-N 1 0 328.128 2.822 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)cc1 ZINC000825278296 1278491882 /nfs/dbraw/zinc/49/18/82/1278491882.db2.gz BEBANMMZSPIHMQ-QGZVFWFLSA-N 1 0 332.492 2.768 20 10 EFCDRO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000825278470 1278492781 /nfs/dbraw/zinc/49/27/81/1278492781.db2.gz CPYLLNPKBYIQLJ-MRXNPFEDSA-N 1 0 327.428 2.781 20 10 EFCDRO Cc1cc(O)c(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1Cl ZINC000825291362 1278495132 /nfs/dbraw/zinc/49/51/32/1278495132.db2.gz KARGEXWKYWFVDF-STQMWFEESA-N 1 0 331.865 2.799 20 10 EFCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1Cl ZINC000825291360 1278495520 /nfs/dbraw/zinc/49/55/20/1278495520.db2.gz KARGEXWKYWFVDF-OLZOCXBDSA-N 1 0 331.865 2.799 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cncs3)C2)cc1C ZINC001086038513 1269636456 /nfs/dbraw/zinc/63/64/56/1269636456.db2.gz CCICBPQAAKIBEX-GASCZTMLSA-N 1 0 345.468 2.758 20 10 EFCDRO CN(C)c1ccc(C[N@H+](CCN2CCOCC2)Cc2ccco2)cc1 ZINC000825305054 1278499329 /nfs/dbraw/zinc/49/93/29/1278499329.db2.gz BGSKFPWVEUAJOM-UHFFFAOYSA-N 1 0 343.471 2.680 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+](C)CC(=O)NC(=O)NC(C)(C)C)cc1 ZINC000741678080 1269655292 /nfs/dbraw/zinc/65/52/92/1269655292.db2.gz JBTWDIWNFOVQIK-UHFFFAOYSA-N 1 0 348.491 2.589 20 10 EFCDRO Cc1ccc(O)c(C[N@H+](CCN2CCOCC2)Cc2ccco2)c1 ZINC000825305966 1278499811 /nfs/dbraw/zinc/49/98/11/1278499811.db2.gz XIBMNLSJTOXDGJ-UHFFFAOYSA-N 1 0 330.428 2.628 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C(=O)NC ZINC000825316779 1278503763 /nfs/dbraw/zinc/50/37/63/1278503763.db2.gz SXZYLGKEJQRNSV-LJQANCHMSA-N 1 0 337.467 2.864 20 10 EFCDRO CCCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033697174 1269834463 /nfs/dbraw/zinc/83/44/63/1269834463.db2.gz BEZDPEDZRVPAHR-HNNXBMFYSA-N 1 0 331.420 2.795 20 10 EFCDRO C[C@H](F)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700318 1269868173 /nfs/dbraw/zinc/86/81/73/1269868173.db2.gz XHJWTCSETCOXFS-SWLSCSKDSA-N 1 0 349.410 2.743 20 10 EFCDRO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000742370694 1270025896 /nfs/dbraw/zinc/02/58/96/1270025896.db2.gz JHPPWKLULHPCNK-RDJZCZTQSA-N 1 0 336.501 2.590 20 10 EFCDRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000742370692 1270026290 /nfs/dbraw/zinc/02/62/90/1270026290.db2.gz JHPPWKLULHPCNK-DOTOQJQBSA-N 1 0 336.501 2.590 20 10 EFCDRO C[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)[NH+]1CCC(C)CC1 ZINC000742733922 1270193940 /nfs/dbraw/zinc/19/39/40/1270193940.db2.gz MKJRJUFKJAXPFV-INIZCTEOSA-N 1 0 332.492 2.672 20 10 EFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)cc2)C1 ZINC000825421593 1278545967 /nfs/dbraw/zinc/54/59/67/1278545967.db2.gz DRZXZSCZTAHEQU-NEPXVJNWSA-N 1 0 327.472 2.667 20 10 EFCDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000825422696 1278547767 /nfs/dbraw/zinc/54/77/67/1278547767.db2.gz QXKHQYGGNWIDHZ-ZJUUUORDSA-N 1 0 329.238 2.548 20 10 EFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CCCC[NH+]1CCCC1 ZINC000742952597 1270333902 /nfs/dbraw/zinc/33/39/02/1270333902.db2.gz NCNFGMOKBVBEQB-UHFFFAOYSA-N 1 0 331.460 2.744 20 10 EFCDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000743375364 1270568669 /nfs/dbraw/zinc/56/86/69/1270568669.db2.gz GUKHECCEQLDNCW-QGZVFWFLSA-N 1 0 340.423 2.827 20 10 EFCDRO COc1cc(C[NH2+]C(C)(C)CS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000825519976 1278582112 /nfs/dbraw/zinc/58/21/12/1278582112.db2.gz PQPADIFEYYXHNX-UHFFFAOYSA-N 1 0 343.489 2.611 20 10 EFCDRO COc1cccc(C[NH2+][C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000701917556 1270794099 /nfs/dbraw/zinc/79/40/99/1270794099.db2.gz CVOLTODAGQQPFI-GOSISDBHSA-N 1 0 336.432 2.890 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000701918454 1270794855 /nfs/dbraw/zinc/79/48/55/1270794855.db2.gz GHVSHQIZCVCOQD-SFHVURJKSA-N 1 0 336.432 2.890 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3cc(C)no3)C2)cc1C ZINC001086307158 1270924504 /nfs/dbraw/zinc/92/45/04/1270924504.db2.gz NJOGABLFVMAKFW-WKILWMFISA-N 1 0 343.427 2.598 20 10 EFCDRO CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001034051914 1270931009 /nfs/dbraw/zinc/93/10/09/1270931009.db2.gz CPVISBOFVBXYIU-HNNXBMFYSA-N 1 0 331.420 2.794 20 10 EFCDRO CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001034052468 1270931530 /nfs/dbraw/zinc/93/15/30/1270931530.db2.gz IRSPNWDIPHHTHT-OAHLLOKOSA-N 1 0 331.420 2.795 20 10 EFCDRO Cc1cc(C(=O)NCC[N@H+]2CCC[C@@H]2C)c(C)n1-c1ccccn1 ZINC000744348162 1270982258 /nfs/dbraw/zinc/98/22/58/1270982258.db2.gz GDPIDFZCENXVFK-AWEZNQCLSA-N 1 0 326.444 2.703 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000702554796 1271478851 /nfs/dbraw/zinc/47/88/51/1271478851.db2.gz XOEUWAPKJRTLFE-LAUBAEHRSA-N 1 0 340.467 2.988 20 10 EFCDRO CC[C@@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001034287807 1271565494 /nfs/dbraw/zinc/56/54/94/1271565494.db2.gz ANXXQOAGNBPLIZ-GDBMZVCRSA-N 1 0 349.475 2.729 20 10 EFCDRO COCC[N@H+](CCc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000746051545 1271744344 /nfs/dbraw/zinc/74/43/44/1271744344.db2.gz NYURNCJCLYQJPA-UHFFFAOYSA-N 1 0 329.396 2.812 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCOC3)CC2)cc1C ZINC001034605754 1272336230 /nfs/dbraw/zinc/33/62/30/1272336230.db2.gz KKTLBESKRWBEQL-BZSNNMDCSA-N 1 0 346.471 2.557 20 10 EFCDRO CCC(CC)(CC)[NH2+]CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000746478026 1272381569 /nfs/dbraw/zinc/38/15/69/1272381569.db2.gz MBDVXOWNIWKPLN-UHFFFAOYSA-N 1 0 347.503 2.902 20 10 EFCDRO CCOCC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001168951045 1272540818 /nfs/dbraw/zinc/54/08/18/1272540818.db2.gz HSZTURNYOVOOFY-INIZCTEOSA-N 1 0 336.476 2.805 20 10 EFCDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC001168987316 1272589075 /nfs/dbraw/zinc/58/90/75/1272589075.db2.gz IBGUCJXGZCZYLG-SKDRFNHKSA-N 1 0 329.194 2.690 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCOC2)cc1C ZINC001034882062 1273145308 /nfs/dbraw/zinc/14/53/08/1273145308.db2.gz RAQIKBPYQNPDIL-ZWKOTPCHSA-N 1 0 346.471 2.511 20 10 EFCDRO CCCc1cc(C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)no1 ZINC001169886884 1273206896 /nfs/dbraw/zinc/20/68/96/1273206896.db2.gz GUYUWIGOIYEYOE-UHFFFAOYSA-N 1 0 345.443 2.854 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2conc2C)cc1C ZINC001035035747 1273417735 /nfs/dbraw/zinc/41/77/35/1273417735.db2.gz XEHMKKHYHUBUOQ-MRXNPFEDSA-N 1 0 343.427 2.694 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3ccncc3)C2)cc1C ZINC001090897296 1278786268 /nfs/dbraw/zinc/78/62/68/1278786268.db2.gz MZHVFNGJFSUIEJ-UHFFFAOYSA-N 1 0 339.439 2.697 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCc2ccc(F)cc2F)cc1 ZINC000844162541 1278792118 /nfs/dbraw/zinc/79/21/18/1278792118.db2.gz IEOJOBRJIJVYMA-GOSISDBHSA-N 1 0 347.409 2.780 20 10 EFCDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c(C)n1-c1ccccn1 ZINC000844200517 1278807014 /nfs/dbraw/zinc/80/70/14/1278807014.db2.gz DHHZLGPHVVDQJP-MRXNPFEDSA-N 1 0 338.455 2.894 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H]2CCC[C@@H](OC)C2)cc1C ZINC001129149652 1274010567 /nfs/dbraw/zinc/01/05/67/1274010567.db2.gz UFOABIAOCANNQO-FUHWJXTLSA-N 1 0 348.487 2.805 20 10 EFCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(C(=O)N3CCCCC3)CC2)c1 ZINC000844257308 1278835514 /nfs/dbraw/zinc/83/55/14/1278835514.db2.gz BDGBNLBRNINERF-UHFFFAOYSA-N 1 0 331.460 2.733 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3cc(C)on3)C2)cc1C ZINC001090914524 1278848777 /nfs/dbraw/zinc/84/87/77/1278848777.db2.gz WSCKQOMBFCBTMU-UHFFFAOYSA-N 1 0 343.427 2.598 20 10 EFCDRO CC(C)[NH+]1CC2(C1)CCN(C(=O)c1ccc(N=NC(N)=O)cc1)CC2 ZINC001035859078 1274612104 /nfs/dbraw/zinc/61/21/04/1274612104.db2.gz QGSUTNRSKXTLPT-UHFFFAOYSA-N 1 0 343.431 2.795 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccc[nH]3)C[C@H]2C)cc1C ZINC001035918072 1274733974 /nfs/dbraw/zinc/73/39/74/1274733974.db2.gz FHPZNFSQDGSREM-WBVHZDCISA-N 1 0 341.455 2.972 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccc[nH]3)C[C@@H]2C)cc1C ZINC001035918070 1274734133 /nfs/dbraw/zinc/73/41/33/1274734133.db2.gz FHPZNFSQDGSREM-RDJZCZTQSA-N 1 0 341.455 2.972 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc[nH]c3)C[C@H]2C)cc1C ZINC001036044034 1274959167 /nfs/dbraw/zinc/95/91/67/1274959167.db2.gz AYGMBXULCMRHEU-QAPCUYQASA-N 1 0 341.455 2.972 20 10 EFCDRO CCc1nc(C)c(C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001170203590 1278913054 /nfs/dbraw/zinc/91/30/54/1278913054.db2.gz DCBJDNOPDJKYAC-UHFFFAOYSA-N 1 0 345.443 2.772 20 10 EFCDRO COCCC[N@H+](CCOC)Cc1c(O)cccc1Br ZINC000707144554 1275327882 /nfs/dbraw/zinc/32/78/82/1275327882.db2.gz PDADECRVZFRVMO-UHFFFAOYSA-N 1 0 332.238 2.640 20 10 EFCDRO CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399507 1278948530 /nfs/dbraw/zinc/94/85/30/1278948530.db2.gz KWCRSXWAPDNNEQ-HNNXBMFYSA-N 1 0 335.492 2.757 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1 ZINC000786827349 1275533856 /nfs/dbraw/zinc/53/38/56/1275533856.db2.gz MINKDHNQJZIMCW-UHFFFAOYSA-N 1 0 341.454 2.546 20 10 EFCDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(O)cc2O)c([N+](=O)[O-])c1 ZINC001170306204 1278974689 /nfs/dbraw/zinc/97/46/89/1278974689.db2.gz RSCSQJCKOYTKIQ-NSHDSACASA-N 1 0 332.356 2.735 20 10 EFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H]1C ZINC000787326811 1275758108 /nfs/dbraw/zinc/75/81/08/1275758108.db2.gz KDRLTYKOYUFKRF-NOZJJQNGSA-N 1 0 325.792 2.632 20 10 EFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)[C@H]1C ZINC000787420065 1275769247 /nfs/dbraw/zinc/76/92/47/1275769247.db2.gz CTLAYUPMFILMCG-GXFFZTMASA-N 1 0 342.233 2.847 20 10 EFCDRO CC(C)OCC[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000788274463 1276124154 /nfs/dbraw/zinc/12/41/54/1276124154.db2.gz HODWHAUVXCLENQ-ROUUACIJSA-N 1 0 337.460 2.549 20 10 EFCDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000788379544 1276157957 /nfs/dbraw/zinc/15/79/57/1276157957.db2.gz VLQSMAPEQPOCDU-AWEZNQCLSA-N 1 0 336.476 2.548 20 10 EFCDRO Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(CCC(=O)N(C)C)CC2)c(O)c1 ZINC000788593860 1276235724 /nfs/dbraw/zinc/23/57/24/1276235724.db2.gz SFMJNCUKPRACHX-MRXNPFEDSA-N 1 0 347.503 2.602 20 10 EFCDRO C[C@H](O)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000788604277 1276237987 /nfs/dbraw/zinc/23/79/87/1276237987.db2.gz JOQAXKSEBKDLLH-KBPBESRZSA-N 1 0 326.868 2.988 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cnccc1N ZINC000817888403 1276348291 /nfs/dbraw/zinc/34/82/91/1276348291.db2.gz LDZNKRLGSUIFTP-CQSZACIVSA-N 1 0 328.485 2.898 20 10 EFCDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(Br)c2[O-])C[C@@H]1C[NH3+] ZINC000817865970 1276351221 /nfs/dbraw/zinc/35/12/21/1276351221.db2.gz QFIFCUJNBDUJDO-WZRBSPASSA-N 1 0 327.266 2.960 20 10 EFCDRO [NH3+][C@@H]1CCCCC[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817894170 1276362964 /nfs/dbraw/zinc/36/29/64/1276362964.db2.gz KJXOIWNIAXOSFU-QZTJIDSGSA-N 1 0 335.467 2.536 20 10 EFCDRO C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000817902162 1276366897 /nfs/dbraw/zinc/36/68/97/1276366897.db2.gz JPVQCPXGOIZVTL-HKUYNNGSSA-N 1 0 331.504 2.780 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1F ZINC000817903940 1276368672 /nfs/dbraw/zinc/36/86/72/1276368672.db2.gz XKCGDVOJPAEJEW-MOPGFXCFSA-N 1 0 335.467 2.529 20 10 EFCDRO [NH3+][C@H]1CCCCC[C@@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817937326 1276383389 /nfs/dbraw/zinc/38/33/89/1276383389.db2.gz YCSSUADAYNLYCS-IRXDYDNUSA-N 1 0 339.430 2.551 20 10 EFCDRO [NH3+][C@H]1CCCCC[C@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817937323 1276383944 /nfs/dbraw/zinc/38/39/44/1276383944.db2.gz YCSSUADAYNLYCS-DLBZAZTESA-N 1 0 339.430 2.551 20 10 EFCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1nc2ccccc2n1C ZINC000817939901 1276385333 /nfs/dbraw/zinc/38/53/33/1276385333.db2.gz DAXNNHGXXWCPOZ-WMLDXEAASA-N 1 0 337.471 2.990 20 10 EFCDRO COC(=O)c1csc([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817943268 1276389747 /nfs/dbraw/zinc/38/97/47/1276389747.db2.gz SZFIGBJEZXBQAR-MLGOLLRUSA-N 1 0 347.484 2.951 20 10 EFCDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCc2ccc(N)cc2)cc1 ZINC000817955655 1276396981 /nfs/dbraw/zinc/39/69/81/1276396981.db2.gz DSCDHJQZQPWOIH-AWEZNQCLSA-N 1 0 347.484 2.924 20 10 EFCDRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817955616 1276397224 /nfs/dbraw/zinc/39/72/24/1276397224.db2.gz CWGWCPSMVOWLGX-CQSZACIVSA-N 1 0 327.428 2.827 20 10 EFCDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(N)cc1 ZINC000817956082 1276397713 /nfs/dbraw/zinc/39/77/13/1276397713.db2.gz QGVVHVZUHVENPF-CYBMUJFWSA-N 1 0 342.399 2.726 20 10 EFCDRO C[C@@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc(F)cc(F)c1O ZINC000817953109 1276397887 /nfs/dbraw/zinc/39/78/87/1276397887.db2.gz NEYFZCZUAVXHIO-LLVKDONJSA-N 1 0 334.370 2.648 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]([NH3+])C1CCC1 ZINC000817958127 1276398543 /nfs/dbraw/zinc/39/85/43/1276398543.db2.gz IBGFIWDMCSFNMP-AWEZNQCLSA-N 1 0 341.249 2.631 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2)c1O ZINC000817976038 1276416725 /nfs/dbraw/zinc/41/67/25/1276416725.db2.gz DWMPIAWSIPBAHX-DLOVCJGASA-N 1 0 331.229 2.814 20 10 EFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2)c1O ZINC000817976039 1276416805 /nfs/dbraw/zinc/41/68/05/1276416805.db2.gz DWMPIAWSIPBAHX-USWWRNFRSA-N 1 0 331.229 2.814 20 10 EFCDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000788984284 1276427718 /nfs/dbraw/zinc/42/77/18/1276427718.db2.gz JUUAACOQVLHBJI-SQWLQELKSA-N 1 0 338.879 2.988 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000817993337 1276433815 /nfs/dbraw/zinc/43/38/15/1276433815.db2.gz GFZGIIQUTTZDGH-NRFANRHFSA-N 1 0 337.467 2.642 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnn4ccccc34)C2)cc1 ZINC000818219417 1276493554 /nfs/dbraw/zinc/49/35/54/1276493554.db2.gz FJMJTBHAEGGMRT-MRXNPFEDSA-N 1 0 336.439 2.959 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1([NH+](C)C)CC1 ZINC000923006491 1276498378 /nfs/dbraw/zinc/49/83/78/1276498378.db2.gz IPHZYVULVVVHBE-UHFFFAOYSA-N 1 0 332.492 2.767 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cc(C)nn3C)C2)cc1 ZINC000818343204 1276509987 /nfs/dbraw/zinc/50/99/87/1276509987.db2.gz ZHGOJSMISFBCTQ-HZPDHXFCSA-N 1 0 328.460 2.914 20 10 EFCDRO CC[C@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccn(C)n1 ZINC000818342112 1276510018 /nfs/dbraw/zinc/51/00/18/1276510018.db2.gz LSODHOGOPYJDRM-QAPCUYQASA-N 1 0 328.460 2.996 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)C(C)(C)n3cncn3)C2)cc1 ZINC000818341917 1276510045 /nfs/dbraw/zinc/51/00/45/1276510045.db2.gz JCDLXNMVLPTMJC-CVEARBPZSA-N 1 0 343.475 2.526 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3nccnc3C)C2)cc1 ZINC000818341543 1276510405 /nfs/dbraw/zinc/51/04/05/1276510405.db2.gz AKFSIXVLSOYYOQ-CVEARBPZSA-N 1 0 326.444 2.971 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cn(C)nc3C)C2)cc1 ZINC000818345250 1276511582 /nfs/dbraw/zinc/51/15/82/1276511582.db2.gz SNHFQPGUCNGLSA-GDBMZVCRSA-N 1 0 328.460 2.914 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCCc4nn(C)cc43)C2)cc1 ZINC000818343209 1276511848 /nfs/dbraw/zinc/51/18/48/1276511848.db2.gz ZHLGINKFKBOFTP-KXBFYZLASA-N 1 0 340.471 2.922 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCCc4c3cnn4C)C2)cc1 ZINC000818345460 1276513427 /nfs/dbraw/zinc/51/34/27/1276513427.db2.gz UVWWLYBFCXAIOR-HNAYVOBHSA-N 1 0 340.471 2.922 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000818608270 1276545765 /nfs/dbraw/zinc/54/57/65/1276545765.db2.gz XHVAHZAMWSFKEB-MRXNPFEDSA-N 1 0 339.430 2.734 20 10 EFCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCSCC2)cc1)C(F)(F)F ZINC000818963851 1276552135 /nfs/dbraw/zinc/55/21/35/1276552135.db2.gz CEMSSADIBHARJC-AWEZNQCLSA-N 1 0 334.407 2.643 20 10 EFCDRO CN1CCCc2cc(C[NH2+]C[C@H](O)COCc3ccccc3)ccc21 ZINC000818984748 1276563206 /nfs/dbraw/zinc/56/32/06/1276563206.db2.gz FYYMGWOGLSFMGB-FQEVSTJZSA-N 1 0 340.467 2.736 20 10 EFCDRO Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000818984998 1276563463 /nfs/dbraw/zinc/56/34/63/1276563463.db2.gz KLZCOEBTLWBTTE-INIZCTEOSA-N 1 0 332.419 2.730 20 10 EFCDRO CN1CCCc2cc(C[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000818985260 1276563914 /nfs/dbraw/zinc/56/39/14/1276563914.db2.gz QBCXYYMSNFTFII-IBGZPJMESA-N 1 0 341.411 2.800 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)COc1cccc2[nH]ccc21 ZINC000818997070 1276566678 /nfs/dbraw/zinc/56/66/78/1276566678.db2.gz RBIUZVFOXWMCNZ-MRXNPFEDSA-N 1 0 338.407 2.632 20 10 EFCDRO OC1(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CCC1 ZINC000819001465 1276567754 /nfs/dbraw/zinc/56/77/54/1276567754.db2.gz AECLYUJLWCJRPX-UHFFFAOYSA-N 1 0 326.387 2.761 20 10 EFCDRO C[C@H]1CN(c2ccc(C[NH2+]CC3(O)CCCC3)cc2F)C[C@H](C)O1 ZINC000818967056 1276572597 /nfs/dbraw/zinc/57/25/97/1276572597.db2.gz QYTXZKJDKGJLFQ-GJZGRUSLSA-N 1 0 336.451 2.834 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)Cc1ccc(F)cc1 ZINC000819094154 1276604805 /nfs/dbraw/zinc/60/48/05/1276604805.db2.gz AHOARJBYUZYKTR-FQEVSTJZSA-N 1 0 326.415 2.895 20 10 EFCDRO Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819096158 1276605964 /nfs/dbraw/zinc/60/59/64/1276605964.db2.gz XXGICMFYRWXRII-FQEVSTJZSA-N 1 0 338.451 2.901 20 10 EFCDRO C[C@]12CC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C[C@H]1C2(Cl)Cl ZINC000789486469 1276748031 /nfs/dbraw/zinc/74/80/31/1276748031.db2.gz LUMXRLLBYLJUKA-YUELXQCFSA-N 1 0 344.238 2.834 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)Cc3ccccc3)C2)cc1 ZINC000819379986 1276763390 /nfs/dbraw/zinc/76/33/90/1276763390.db2.gz LXNJGPSQFQWLGB-AZUAARDMSA-N 1 0 340.467 2.715 20 10 EFCDRO C[N@H+](C[C@@H](O)CNc1ccccc1OC[C@@H]1CCCCO1)C1CC1 ZINC000819425568 1276782348 /nfs/dbraw/zinc/78/23/48/1276782348.db2.gz DGEOCEAVDZMRPL-IRXDYDNUSA-N 1 0 334.460 2.502 20 10 EFCDRO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819582455 1276824771 /nfs/dbraw/zinc/82/47/71/1276824771.db2.gz MBWONVLVSRHRSS-LPHOPBHVSA-N 1 0 345.487 2.512 20 10 EFCDRO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583468 1276825442 /nfs/dbraw/zinc/82/54/42/1276825442.db2.gz WVVBDOSHLIXDCE-APWZRJJASA-N 1 0 345.487 2.512 20 10 EFCDRO COC(=O)CC[N@H+](Cc1ccc(N(C)C)c(C)c1)C1CCOCC1 ZINC000815055376 1287271890 /nfs/dbraw/zinc/27/18/90/1287271890.db2.gz YMKUHZKLXNBHEA-UHFFFAOYSA-N 1 0 334.460 2.605 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3nncn3-c3ccccc3)cc2)CC1 ZINC000790246514 1277373102 /nfs/dbraw/zinc/37/31/02/1277373102.db2.gz YBZKEAQMMKTFHX-UHFFFAOYSA-N 1 0 348.454 2.631 20 10 EFCDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1c(O)ccc3ccncc31)C[C@@H](C)O2 ZINC000790399763 1277539229 /nfs/dbraw/zinc/53/92/29/1277539229.db2.gz HOCYTHDRWHJVHF-TYILLQQXSA-N 1 0 328.412 2.709 20 10 EFCDRO C[C@H]([NH2+]CCCCCO)c1ccc(N2CCOCC2)cc1Cl ZINC000790498885 1277603758 /nfs/dbraw/zinc/60/37/58/1277603758.db2.gz VENGIKGERDAABH-AWEZNQCLSA-N 1 0 326.868 2.990 20 10 EFCDRO Cc1cc(C[N@H+](CCC(N)=O)Cc2ccccc2)ccc1N(C)C ZINC000815063982 1287287412 /nfs/dbraw/zinc/28/74/12/1287287412.db2.gz VPHJBNOQTUDETC-UHFFFAOYSA-N 1 0 325.456 2.939 20 10 EFCDRO CCOCCOC[C@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000790761199 1277747009 /nfs/dbraw/zinc/74/70/09/1277747009.db2.gz SCXPXIRKDBOWQD-GOEBONIOSA-N 1 0 333.428 2.610 20 10 EFCDRO Cc1cc(C[N@H+](C)CC(C)(C)CN2CCOCC2)ccc1N(C)C ZINC000815076060 1287300555 /nfs/dbraw/zinc/30/05/55/1287300555.db2.gz JYVJEMZVVQJUBC-UHFFFAOYSA-N 1 0 333.520 2.851 20 10 EFCDRO COCCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000815081769 1287305772 /nfs/dbraw/zinc/30/57/72/1287305772.db2.gz NWUDIOQGHBBVJL-WBVHZDCISA-N 1 0 345.439 2.672 20 10 EFCDRO COC1(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CCCC1 ZINC000790955677 1277876944 /nfs/dbraw/zinc/87/69/44/1277876944.db2.gz IAVYGLWTRMFKEX-UHFFFAOYSA-N 1 0 332.488 2.944 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3ccsc3C)CC2)cc1 ZINC000815118988 1287312960 /nfs/dbraw/zinc/31/29/60/1287312960.db2.gz OKENYGHEOKCFFT-UHFFFAOYSA-N 1 0 345.512 2.977 20 10 EFCDRO C[C@@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)[NH+]1CCCCC1 ZINC000746981003 1277957152 /nfs/dbraw/zinc/95/71/52/1277957152.db2.gz FYADHTRIRSHFAV-INIZCTEOSA-N 1 0 344.503 2.743 20 10 EFCDRO CCN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)cc1 ZINC000815119902 1287314590 /nfs/dbraw/zinc/31/45/90/1287314590.db2.gz KCUAWEJPVPNJQA-YSIASYRMSA-N 1 0 329.488 2.879 20 10 EFCDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844521996 1279052485 /nfs/dbraw/zinc/05/24/85/1279052485.db2.gz JZLYZPLACHPYIP-LBPRGKRZSA-N 1 0 325.840 2.575 20 10 EFCDRO CCN(C)c1ccc(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1 ZINC000815104729 1287326294 /nfs/dbraw/zinc/32/62/94/1287326294.db2.gz SHLGDOKPJDORRU-QGZVFWFLSA-N 1 0 331.504 2.828 20 10 EFCDRO COc1ccc(CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c(O)c1 ZINC000792779968 1279172766 /nfs/dbraw/zinc/17/27/66/1279172766.db2.gz LXOGCMUOAUFNSA-QGZVFWFLSA-N 1 0 343.427 2.503 20 10 EFCDRO COc1ccc(CNC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(O)c1 ZINC000792827983 1279187496 /nfs/dbraw/zinc/18/74/96/1279187496.db2.gz FSOCSWCHYLOKDQ-GASCZTMLSA-N 1 0 349.475 2.568 20 10 EFCDRO COc1ccc(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c(O)c1 ZINC000792829005 1279187510 /nfs/dbraw/zinc/18/75/10/1279187510.db2.gz ORLZRUADHANSHJ-QGZVFWFLSA-N 1 0 349.475 2.711 20 10 EFCDRO COC(=O)C(C)(C)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000792951245 1279301730 /nfs/dbraw/zinc/30/17/30/1279301730.db2.gz PXXUFMHINVDFMX-UHFFFAOYSA-N 1 0 334.460 2.843 20 10 EFCDRO CSC[C@@H](CCO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792993940 1279319864 /nfs/dbraw/zinc/31/98/64/1279319864.db2.gz YXEOXQFXSGRTII-GFCCVEGCSA-N 1 0 336.423 2.975 20 10 EFCDRO CCc1nncn1CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792995044 1279321429 /nfs/dbraw/zinc/32/14/29/1279321429.db2.gz ICUXLUOHYWYEPX-UHFFFAOYSA-N 1 0 341.381 2.715 20 10 EFCDRO C[C@H](CNC(=O)NCc1cc(Cl)ccc1O)C[NH+]1CCCCC1 ZINC000844902576 1279324074 /nfs/dbraw/zinc/32/40/74/1279324074.db2.gz RGYUVPVWLHMWQW-CYBMUJFWSA-N 1 0 339.867 2.967 20 10 EFCDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)C1 ZINC000844902513 1279324098 /nfs/dbraw/zinc/32/40/98/1279324098.db2.gz OIPDXHLPNHBUAF-OZVIIMIRSA-N 1 0 342.842 2.903 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@@H]1CN(C)CCO1 ZINC000793015078 1279328207 /nfs/dbraw/zinc/32/82/07/1279328207.db2.gz CYCCHTGCZFITCS-LRDDRELGSA-N 1 0 345.409 2.580 20 10 EFCDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1cc(Cl)ccc1O ZINC000844880254 1279333489 /nfs/dbraw/zinc/33/34/89/1279333489.db2.gz PZUTTXWTFSNJHO-GFCCVEGCSA-N 1 0 325.840 2.719 20 10 EFCDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1cc(Cl)ccc1O ZINC000844914278 1279333717 /nfs/dbraw/zinc/33/37/17/1279333717.db2.gz GJXFZHBZCJRUDR-OLZOCXBDSA-N 1 0 339.867 2.965 20 10 EFCDRO CNC(=O)C1([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCCC1 ZINC000793099320 1279375940 /nfs/dbraw/zinc/37/59/40/1279375940.db2.gz PWMPBYUVGJVSRF-UHFFFAOYSA-N 1 0 343.393 2.920 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)cc1 ZINC000815140772 1287343510 /nfs/dbraw/zinc/34/35/10/1287343510.db2.gz IXAIBKFFMNRBHL-FQEVSTJZSA-N 1 0 337.467 2.686 20 10 EFCDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845023368 1279401242 /nfs/dbraw/zinc/40/12/42/1279401242.db2.gz UBAGRUVWMJQYCM-ZIAGYGMSSA-N 1 0 325.840 2.718 20 10 EFCDRO OC[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000815150713 1287349586 /nfs/dbraw/zinc/34/95/86/1287349586.db2.gz MBDYWQBQGJZZOJ-IBGZPJMESA-N 1 0 332.488 2.802 20 10 EFCDRO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144499194 1279740905 /nfs/dbraw/zinc/74/09/05/1279740905.db2.gz DPFPJNOYFDDQCA-CYBMUJFWSA-N 1 0 346.402 2.649 20 10 EFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)[C@H]1c1ccccc1 ZINC001144504501 1279747885 /nfs/dbraw/zinc/74/78/85/1279747885.db2.gz SCSSZQVTNWVGEY-KDOFPFPSSA-N 1 0 343.379 2.540 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c(O)c1 ZINC001144514413 1279773987 /nfs/dbraw/zinc/77/39/87/1279773987.db2.gz CBWDRMUMBYVLIU-UHFFFAOYSA-N 1 0 348.830 2.775 20 10 EFCDRO CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144515960 1279777986 /nfs/dbraw/zinc/77/79/86/1279777986.db2.gz KOSRITHWIRMVAI-INIZCTEOSA-N 1 0 342.439 2.900 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000793619593 1279779887 /nfs/dbraw/zinc/77/98/87/1279779887.db2.gz IDAYWWRIAYOARS-QGZVFWFLSA-N 1 0 326.440 2.760 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc3c(cc2OC)OCO3)c1 ZINC000845971549 1279948369 /nfs/dbraw/zinc/94/83/69/1279948369.db2.gz LHHCLVBZEZRRLK-LLVKDONJSA-N 1 0 331.368 2.989 20 10 EFCDRO COC(=O)COc1cccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846152059 1280038484 /nfs/dbraw/zinc/03/84/84/1280038484.db2.gz MLSZIWDOMSSLEJ-ZDUSSCGKSA-N 1 0 345.395 2.803 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c1O ZINC000846156270 1280040389 /nfs/dbraw/zinc/04/03/89/1280040389.db2.gz DBIVPFGCMSSSQA-JLJPHGGASA-N 1 0 331.412 2.536 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c1O ZINC000846156998 1280040455 /nfs/dbraw/zinc/04/04/55/1280040455.db2.gz RCVIWBZQDBTMGY-PWSUYJOCSA-N 1 0 346.349 2.605 20 10 EFCDRO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846168586 1280044879 /nfs/dbraw/zinc/04/48/79/1280044879.db2.gz KPTSAIUPIOCEME-UKRRQHHQSA-N 1 0 331.412 2.836 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)c1O ZINC000846170395 1280046467 /nfs/dbraw/zinc/04/64/67/1280046467.db2.gz KKAHSUJGFFIILW-GUDXXQAFSA-N 1 0 332.444 2.698 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)c1O ZINC000846171823 1280047268 /nfs/dbraw/zinc/04/72/68/1280047268.db2.gz IBRCALDOMUASIU-LRDDRELGSA-N 1 0 344.386 2.996 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1O ZINC000846172506 1280047732 /nfs/dbraw/zinc/04/77/32/1280047732.db2.gz YZZQXENPPMXECU-HSBZDZAISA-N 1 0 341.473 2.655 20 10 EFCDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846139621 1280049442 /nfs/dbraw/zinc/04/94/42/1280049442.db2.gz YAJBPDACBDMALZ-WBMJQRKESA-N 1 0 347.411 2.802 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)c1O ZINC000846139577 1280049620 /nfs/dbraw/zinc/04/96/20/1280049620.db2.gz WJFZKYYFWLGGIW-CYBMUJFWSA-N 1 0 330.432 2.612 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)c1O ZINC000846140858 1280049683 /nfs/dbraw/zinc/04/96/83/1280049683.db2.gz HBNALUHVJNTOKI-CQSZACIVSA-N 1 0 328.412 2.710 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CCS(=O)(=O)Cc2ccccc2)c1O ZINC000846141863 1280050064 /nfs/dbraw/zinc/05/00/64/1280050064.db2.gz AZKRZITZRGXAHE-AWEZNQCLSA-N 1 0 349.452 2.666 20 10 EFCDRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000846205349 1280054299 /nfs/dbraw/zinc/05/42/99/1280054299.db2.gz GEOBSVCFADZUAV-KBPBESRZSA-N 1 0 328.456 2.933 20 10 EFCDRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000846205358 1280054367 /nfs/dbraw/zinc/05/43/67/1280054367.db2.gz GEOBSVCFADZUAV-ZIAGYGMSSA-N 1 0 328.456 2.933 20 10 EFCDRO CN(C)c1ccc(CN(C(=O)NCCC2CC[NH2+]CC2)C2CC2)cc1 ZINC000846211550 1280084292 /nfs/dbraw/zinc/08/42/92/1280084292.db2.gz WZIWPOGMDNOTIN-UHFFFAOYSA-N 1 0 344.503 2.816 20 10 EFCDRO COCC(C)(C)[NH+]1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000822498208 1289015547 /nfs/dbraw/zinc/01/55/47/1289015547.db2.gz WLRJBKMLAUPRAJ-UHFFFAOYSA-N 1 0 342.867 2.597 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCc3ccccc3C2)cc1 ZINC000846663667 1280380756 /nfs/dbraw/zinc/38/07/56/1280380756.db2.gz LGSLJKIIOTYBHA-QUCCMNQESA-N 1 0 337.467 2.674 20 10 EFCDRO Cc1cc(C(=O)N2CCC(CC[NH3+])CC2)c(C)n1-c1ccccn1 ZINC000846694864 1280424515 /nfs/dbraw/zinc/42/45/15/1280424515.db2.gz DLEGFISKGIJMBJ-UHFFFAOYSA-N 1 0 326.444 2.690 20 10 EFCDRO C[C@H]1C[C@H]([NH3+])CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000846703145 1280432635 /nfs/dbraw/zinc/43/26/35/1280432635.db2.gz LSDQJPBHVHYRQI-GOEBONIOSA-N 1 0 332.448 2.897 20 10 EFCDRO CCCNC(=O)CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000846824061 1280519495 /nfs/dbraw/zinc/51/94/95/1280519495.db2.gz GSFBOWFOUIZTRN-QGZVFWFLSA-N 1 0 334.460 2.680 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]CCn2ccc(C(F)(F)F)n2)c1O ZINC000872108528 1287431347 /nfs/dbraw/zinc/43/13/47/1287431347.db2.gz ABHLKBOQYDWCOH-SNVBAGLBSA-N 1 0 329.322 2.967 20 10 EFCDRO CCN(C)c1ccc(C[NH+]2CCC(N3CCOC[C@H]3C)CC2)cc1 ZINC000846914092 1280637622 /nfs/dbraw/zinc/63/76/22/1280637622.db2.gz WUGZNQWEPCFBRO-QGZVFWFLSA-N 1 0 331.504 2.828 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc2ccc[nH]2)cc1C ZINC001146478895 1280930511 /nfs/dbraw/zinc/93/05/11/1280930511.db2.gz YCIHRLDUJSIBON-CVEARBPZSA-N 1 0 343.471 2.947 20 10 EFCDRO C[C@H](C[C@H](C)[NH2+]CC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146661665 1280965382 /nfs/dbraw/zinc/96/53/82/1280965382.db2.gz BXAWRWPQSGKXQS-NWDGAFQWSA-N 1 0 331.420 2.746 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000103598538 1280967332 /nfs/dbraw/zinc/96/73/32/1280967332.db2.gz AFCYDNOSHPCRNQ-HNNXBMFYSA-N 1 0 349.475 2.883 20 10 EFCDRO C[C@@H](C[C@H](C)[NH2+]CCCF)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146664796 1280967404 /nfs/dbraw/zinc/96/74/04/1280967404.db2.gz UHWXNMOBOJLLCK-RYUDHWBXSA-N 1 0 337.399 2.695 20 10 EFCDRO C[C@H](C[C@H](C)[NH2+]CCCF)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146664794 1280967501 /nfs/dbraw/zinc/96/75/01/1280967501.db2.gz UHWXNMOBOJLLCK-NWDGAFQWSA-N 1 0 337.399 2.695 20 10 EFCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000806433018 1281057263 /nfs/dbraw/zinc/05/72/63/1281057263.db2.gz DISJHEPFCLCICM-IBGZPJMESA-N 1 0 344.503 2.960 20 10 EFCDRO CC[C@@H]1C[C@H](CC(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)CCO1 ZINC001146959750 1281074642 /nfs/dbraw/zinc/07/46/42/1281074642.db2.gz OZDXXBORCGBYES-SJLPKXTDSA-N 1 0 348.487 2.805 20 10 EFCDRO C[NH+]1CCN(c2ccc(C=Cc3cc(=O)[nH]c(C4CC4)n3)cc2)CC1 ZINC000806564198 1281097051 /nfs/dbraw/zinc/09/70/51/1281097051.db2.gz LVTMOYJYPDGIIJ-UQCOIBPSSA-N 1 0 336.439 2.982 20 10 EFCDRO CC[C@@H]([NH2+][C@@H](CCSC)C(=O)NC)c1cc(Cl)ccc1O ZINC000806663716 1281129537 /nfs/dbraw/zinc/12/95/37/1281129537.db2.gz RJPPJLHIEFQCPN-OLZOCXBDSA-N 1 0 330.881 2.954 20 10 EFCDRO CNC(=O)[C@H](CCSC)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000806663917 1281129812 /nfs/dbraw/zinc/12/98/12/1281129812.db2.gz XDVLBYFUGPXAKM-ADEWGFFLSA-N 1 0 326.437 2.537 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2sc(C)nc2C)cc1C ZINC001175591581 1287478774 /nfs/dbraw/zinc/47/87/74/1287478774.db2.gz FNTBMUYIRYTSPT-UHFFFAOYSA-N 1 0 347.484 2.987 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cn(C(C)C)nc2C)cc1C ZINC001147593813 1281215073 /nfs/dbraw/zinc/21/50/73/1281215073.db2.gz YKEKWWPLKLOTJG-UHFFFAOYSA-N 1 0 344.459 2.609 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000103603683 1281260488 /nfs/dbraw/zinc/26/04/88/1281260488.db2.gz NPKNVHLPCXBFPQ-ILXRZTDVSA-N 1 0 349.475 2.881 20 10 EFCDRO COC[C@]1(C)CC(=O)N(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000747452375 1281511300 /nfs/dbraw/zinc/51/13/00/1281511300.db2.gz PUPXFRQUICDTNN-HXUWFJFHSA-N 1 0 347.503 2.806 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cocn3)C2)cc1C ZINC001086659887 1281532998 /nfs/dbraw/zinc/53/29/98/1281532998.db2.gz PDLYYFGXKHPGDJ-JKSUJKDBSA-N 1 0 343.427 2.680 20 10 EFCDRO CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)c(O)c1 ZINC000808448203 1281714820 /nfs/dbraw/zinc/71/48/20/1281714820.db2.gz ZLENQGJKIUOKGB-BPQIPLTHSA-N 1 0 332.444 2.528 20 10 EFCDRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808676226 1281858878 /nfs/dbraw/zinc/85/88/78/1281858878.db2.gz HYYVCKSATDIGDP-LBPRGKRZSA-N 1 0 348.896 2.676 20 10 EFCDRO CC(C)[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001086886248 1281892311 /nfs/dbraw/zinc/89/23/11/1281892311.db2.gz TVJUFMOVFDRGPA-SWLSCSKDSA-N 1 0 331.420 2.746 20 10 EFCDRO CN1CCCc2cc(C[NH2+]Cc3cnc(C4OCCO4)s3)ccc21 ZINC000809611188 1282317119 /nfs/dbraw/zinc/31/71/19/1282317119.db2.gz VGAXZDMSWNWUBT-UHFFFAOYSA-N 1 0 345.468 2.861 20 10 EFCDRO C[C@@H](O)c1ncc(CN(C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000809640331 1282355077 /nfs/dbraw/zinc/35/50/77/1282355077.db2.gz WNLFDVYDULHRES-CYBMUJFWSA-N 1 0 335.473 2.773 20 10 EFCDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC)cc1O ZINC000809691700 1282379331 /nfs/dbraw/zinc/37/93/31/1282379331.db2.gz QAWKCRXFLKVOOG-HNNXBMFYSA-N 1 0 336.432 2.892 20 10 EFCDRO COc1cc(Br)cc(C[N@H+](C)[C@H]2CCCOC2)c1O ZINC000809692714 1282381606 /nfs/dbraw/zinc/38/16/06/1282381606.db2.gz FJIBVVYURMTVRI-LBPRGKRZSA-N 1 0 330.222 2.774 20 10 EFCDRO CCC[N@H+](CCN1CCCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000809700424 1282384630 /nfs/dbraw/zinc/38/46/30/1282384630.db2.gz GNNBWZLCXXAYIL-UHFFFAOYSA-N 1 0 331.504 2.831 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)cc1F ZINC000809700798 1282389813 /nfs/dbraw/zinc/38/98/13/1282389813.db2.gz OIEQXZFWDUGTHX-WMZOPIPTSA-N 1 0 349.494 2.967 20 10 EFCDRO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000809708923 1282421609 /nfs/dbraw/zinc/42/16/09/1282421609.db2.gz KVKYIGQDHQSEQW-OAHLLOKOSA-N 1 0 337.439 2.944 20 10 EFCDRO CC(C)OC[C@H](CO)[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809768680 1282430991 /nfs/dbraw/zinc/43/09/91/1282430991.db2.gz SUJUODRVRQMSMD-HNNXBMFYSA-N 1 0 348.409 2.989 20 10 EFCDRO COc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(OC)c2O)c1 ZINC000809740315 1282439292 /nfs/dbraw/zinc/43/92/92/1282439292.db2.gz UCQPLKPYLNTZBI-CYBMUJFWSA-N 1 0 344.411 2.916 20 10 EFCDRO CCN(CCC[NH+](C)C)Cc1cc(Br)cc(OC)c1O ZINC000809750430 1282449172 /nfs/dbraw/zinc/44/91/72/1282449172.db2.gz VSPBWDVJXOTRIO-UHFFFAOYSA-N 1 0 345.281 2.937 20 10 EFCDRO CCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@]2(C)C1 ZINC001092310942 1282559678 /nfs/dbraw/zinc/55/96/78/1282559678.db2.gz FESBNTFMETYKSD-KDOFPFPSSA-N 1 0 343.431 2.653 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@]1(C)CCCO1 ZINC000815564932 1287598617 /nfs/dbraw/zinc/59/86/17/1287598617.db2.gz XSXICCDWKQONDV-KUHUBIRLSA-N 1 0 336.451 2.834 20 10 EFCDRO CN(C)C[C@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815577157 1287608522 /nfs/dbraw/zinc/60/85/22/1287608522.db2.gz IBBBPWTYYMGWTK-IEBWSBKVSA-N 1 0 328.456 2.578 20 10 EFCDRO CCc1noc(C)c1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001175912070 1287608659 /nfs/dbraw/zinc/60/86/59/1287608659.db2.gz PRVSVLFNWVFGBT-UHFFFAOYSA-N 1 0 345.443 2.772 20 10 EFCDRO C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815582789 1287612082 /nfs/dbraw/zinc/61/20/82/1287612082.db2.gz PIOYVINDZXLKLW-NSHDSACASA-N 1 0 332.366 2.518 20 10 EFCDRO CC[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(C(F)(F)F)cc1O ZINC000810217976 1283043865 /nfs/dbraw/zinc/04/38/65/1283043865.db2.gz NHOAQPUMEPJJMR-DZGCQCFKSA-N 1 0 345.409 2.698 20 10 EFCDRO CC[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(C(F)(F)F)cc1O ZINC000810228859 1283055596 /nfs/dbraw/zinc/05/55/96/1283055596.db2.gz MVHOXLLZKLTKMC-UONOGXRCSA-N 1 0 343.349 2.919 20 10 EFCDRO CC[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(C(F)(F)F)cc1O ZINC000810228857 1283056046 /nfs/dbraw/zinc/05/60/46/1283056046.db2.gz MVHOXLLZKLTKMC-KBPBESRZSA-N 1 0 343.349 2.919 20 10 EFCDRO CCCCC[N@@H+]1C[C@H](NC(=O)c2cc(OC)nc(OC)c2)CC[C@@H]1C ZINC001132157280 1283062058 /nfs/dbraw/zinc/06/20/58/1283062058.db2.gz NIQCCOWIFAVDTM-GOEBONIOSA-N 1 0 349.475 2.872 20 10 EFCDRO CSC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC[NH+](C)CC1 ZINC000810251899 1283105145 /nfs/dbraw/zinc/10/51/45/1283105145.db2.gz BGSSTWNKTOKVIO-LBPRGKRZSA-N 1 0 339.461 2.778 20 10 EFCDRO CCCC[N@H+]1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC001093240729 1283487012 /nfs/dbraw/zinc/48/70/12/1283487012.db2.gz DCYFMIYDSLASFP-UKRRQHHQSA-N 1 0 345.447 2.947 20 10 EFCDRO [NH3+]C1CCN(c2nccc(NCc3cc4ccccc4cc3O)n2)CC1 ZINC001171402555 1283493437 /nfs/dbraw/zinc/49/34/37/1283493437.db2.gz PRBRHVXPUVXCLN-UHFFFAOYSA-N 1 0 349.438 2.875 20 10 EFCDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCCC12OCCO2 ZINC000715595273 1284235919 /nfs/dbraw/zinc/23/59/19/1284235919.db2.gz KBEOFOBPGLLKTI-ZDUSSCGKSA-N 1 0 328.206 2.540 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CC2)c1 ZINC000811511952 1284391008 /nfs/dbraw/zinc/39/10/08/1284391008.db2.gz YIDNQYTWFUVVQG-HNNXBMFYSA-N 1 0 334.416 2.644 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccoc2C2CC2)cc1C ZINC001132943998 1284501015 /nfs/dbraw/zinc/50/10/15/1284501015.db2.gz OHDHVAGJCVXHTN-UHFFFAOYSA-N 1 0 328.412 2.994 20 10 EFCDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000811884192 1284728980 /nfs/dbraw/zinc/72/89/80/1284728980.db2.gz BGBJZINSCPYVIA-KRWDZBQOSA-N 1 0 344.503 2.982 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC34CC4)C[C@H]2C)cc1C ZINC001094071135 1284755083 /nfs/dbraw/zinc/75/50/83/1284755083.db2.gz YTNXYIBDNIWPTP-KBAYOESNSA-N 1 0 342.483 2.988 20 10 EFCDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000811931736 1284755556 /nfs/dbraw/zinc/75/55/56/1284755556.db2.gz QRLBCMLFMVNNBE-AWEZNQCLSA-N 1 0 338.471 2.811 20 10 EFCDRO O=C(C[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)c1ccc(O)c(O)c1 ZINC001170671512 1284980891 /nfs/dbraw/zinc/98/08/91/1284980891.db2.gz YYUUMYAJKDSAAC-CYBMUJFWSA-N 1 0 333.334 2.706 20 10 EFCDRO Oc1cc(O)c(CC[NH2+][C@H]2CCc3cc(F)cc(F)c3C2)cc1O ZINC001170667795 1284981888 /nfs/dbraw/zinc/98/18/88/1284981888.db2.gz YGQKPXAVNUKHRX-ZDUSSCGKSA-N 1 0 335.350 2.771 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000812782445 1285415564 /nfs/dbraw/zinc/41/55/64/1285415564.db2.gz UDJKZMONGHLOAS-HNNXBMFYSA-N 1 0 327.403 2.787 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(F)F)C3)cc1C ZINC001094829885 1285665445 /nfs/dbraw/zinc/66/54/45/1285665445.db2.gz IAOFMTYBXFZRQI-KKUMJFAQSA-N 1 0 338.398 2.738 20 10 EFCDRO COc1cc(C(=O)N[C@@H](C)CCCC[NH2+]CC=C(C)C)cc(OC)n1 ZINC001171676700 1285709972 /nfs/dbraw/zinc/70/99/72/1285709972.db2.gz NTMMBSXTQGLIKQ-HNNXBMFYSA-N 1 0 349.475 2.943 20 10 EFCDRO C[C@H]1C[C@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CN1Cc1ccccc1 ZINC001171731653 1285748470 /nfs/dbraw/zinc/74/84/70/1285748470.db2.gz CTWHEAIDJKSDHU-YOEHRIQHSA-N 1 0 340.423 2.533 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2cc(C)no2)cc1C ZINC001133653177 1285752270 /nfs/dbraw/zinc/75/22/70/1285752270.db2.gz MKUKVHKXKZNIGN-ZIAGYGMSSA-N 1 0 345.443 2.987 20 10 EFCDRO Cc1cc(C)c(C[NH2+][C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001171695053 1285756535 /nfs/dbraw/zinc/75/65/35/1285756535.db2.gz SLPHEBBOCRGHQU-CYBMUJFWSA-N 1 0 334.416 2.635 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cc(Cl)no2)cc1C ZINC001171781474 1285802234 /nfs/dbraw/zinc/80/22/34/1285802234.db2.gz IHAAVEHTWVRDGQ-UHFFFAOYSA-N 1 0 337.807 2.555 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc3c(c(OC)c2)OCO3)c1 ZINC000813332003 1285816228 /nfs/dbraw/zinc/81/62/28/1285816228.db2.gz YXRWOMVNWDJOFQ-LLVKDONJSA-N 1 0 331.368 2.989 20 10 EFCDRO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]Cc2cccc(O)c2O)CC1 ZINC001171876451 1285837048 /nfs/dbraw/zinc/83/70/48/1285837048.db2.gz BPUUGNYTRMYYIG-QGZVFWFLSA-N 1 0 340.423 2.882 20 10 EFCDRO COCCCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133797409 1285968915 /nfs/dbraw/zinc/96/89/15/1285968915.db2.gz DDHAYZXMBWLORH-JKSUJKDBSA-N 1 0 336.476 2.803 20 10 EFCDRO COCCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133797404 1285968932 /nfs/dbraw/zinc/96/89/32/1285968932.db2.gz DDHAYZXMBWLORH-CVEARBPZSA-N 1 0 336.476 2.803 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172022978 1285974365 /nfs/dbraw/zinc/97/43/65/1285974365.db2.gz SCXVDWMIJKTCON-IBGZPJMESA-N 1 0 327.472 2.872 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2ncoc2C)cc1C ZINC001133848083 1286027657 /nfs/dbraw/zinc/02/76/57/1286027657.db2.gz GOJZXHOLUPEYSP-UONOGXRCSA-N 1 0 345.443 2.987 20 10 EFCDRO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](C)Cc1ccc(N3CCOCC3)cc1)C2 ZINC001172120911 1286030319 /nfs/dbraw/zinc/03/03/19/1286030319.db2.gz HFDWUYJVCSSGIX-AERCQKQUSA-N 1 0 343.515 2.970 20 10 EFCDRO CCCOCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133883867 1286051483 /nfs/dbraw/zinc/05/14/83/1286051483.db2.gz HTRPZFKTKZRVPM-CVEARBPZSA-N 1 0 336.476 2.803 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)COC(C)C)cc1C ZINC001133896349 1286076330 /nfs/dbraw/zinc/07/63/30/1286076330.db2.gz IQJCGHJNQXVUSL-HOTGVXAUSA-N 1 0 336.476 2.802 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)COC(C)C)cc1C ZINC001133896350 1286076514 /nfs/dbraw/zinc/07/65/14/1286076514.db2.gz IQJCGHJNQXVUSL-HZPDHXFCSA-N 1 0 336.476 2.802 20 10 EFCDRO CCOc1ccc(C[NH2+]Cc2cc3ccccc3n(C)c2=O)c(O)c1 ZINC000813790827 1286120418 /nfs/dbraw/zinc/12/04/18/1286120418.db2.gz ZTYWMJQPGFOXLZ-UHFFFAOYSA-N 1 0 338.407 2.933 20 10 EFCDRO COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC001172605634 1286199404 /nfs/dbraw/zinc/19/94/04/1286199404.db2.gz ZMXBMGJABNIJDE-GWCFXTLKSA-N 1 0 342.233 2.976 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc2ccon2)cc1C ZINC001133987947 1286200232 /nfs/dbraw/zinc/20/02/32/1286200232.db2.gz GOZHZDWDFXSOMM-CABCVRRESA-N 1 0 345.443 2.607 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc2ccon2)cc1C ZINC001133987950 1286200483 /nfs/dbraw/zinc/20/04/83/1286200483.db2.gz GOZHZDWDFXSOMM-LSDHHAIUSA-N 1 0 345.443 2.607 20 10 EFCDRO COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC001172607202 1286201044 /nfs/dbraw/zinc/20/10/44/1286201044.db2.gz VBAQUYMJPFCXAA-GXFFZTMASA-N 1 0 342.233 2.976 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@H](C)CCC(=O)OC(C)C)CC2)cc1 ZINC001172749884 1286256253 /nfs/dbraw/zinc/25/62/53/1286256253.db2.gz NMFPQRHRUSFZPG-MRXNPFEDSA-N 1 0 334.460 2.938 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2=CCOCC2)cc1C ZINC001134196309 1286454818 /nfs/dbraw/zinc/45/48/18/1286454818.db2.gz CBBSDHYFCAIVQY-JKSUJKDBSA-N 1 0 346.471 2.723 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C2(C(F)(F)F)CC2)cc1C ZINC001134223514 1286470488 /nfs/dbraw/zinc/47/04/88/1286470488.db2.gz ZLSJOMIYBWMBQD-UHFFFAOYSA-N 1 0 330.350 2.552 20 10 EFCDRO Cc1cc(O)c(CN2CC[C@@H]([NH3+])[C@H](F)CC2)cc1Br ZINC001206196399 1286485563 /nfs/dbraw/zinc/48/55/63/1286485563.db2.gz BZMCLYDWXCAMBS-CHWSQXEVSA-N 1 0 331.229 2.724 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC(C)(C)O)cc1C ZINC001134240251 1286501116 /nfs/dbraw/zinc/50/11/16/1286501116.db2.gz OGAIROMMKGILBE-LSDHHAIUSA-N 1 0 336.476 2.538 20 10 EFCDRO CCOC(=O)C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001173629459 1286722052 /nfs/dbraw/zinc/72/20/52/1286722052.db2.gz YPUMRRCYEMWERF-ZWKOTPCHSA-N 1 0 346.471 2.735 20 10 EFCDRO CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001173661074 1286741507 /nfs/dbraw/zinc/74/15/07/1286741507.db2.gz OUPGEHJRNPBWQQ-CZUORRHYSA-N 1 0 333.428 2.968 20 10 EFCDRO CCC[C@H](OC)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001179309326 1289100118 /nfs/dbraw/zinc/10/01/18/1289100118.db2.gz PEVCJYOKXNRMBM-IEZWGBDMSA-N 1 0 348.487 2.898 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc3c(c2)COC3)cc1C ZINC001135216503 1287839957 /nfs/dbraw/zinc/83/99/57/1287839957.db2.gz WAJFMANFMIHWDP-UHFFFAOYSA-N 1 0 340.423 2.553 20 10 EFCDRO CCc1nc(C)c(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)s1 ZINC001135234014 1287842932 /nfs/dbraw/zinc/84/29/32/1287842932.db2.gz SUYHAEAETQXIAY-UHFFFAOYSA-N 1 0 347.484 2.851 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc2cnoc2)cc1C ZINC001135265901 1287886954 /nfs/dbraw/zinc/88/69/54/1287886954.db2.gz GEBMTGVGUDYGPA-LSDHHAIUSA-N 1 0 345.443 2.607 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)CC[C@@H]2CC[C@@H](C)O2)cc1C ZINC001176669571 1288064269 /nfs/dbraw/zinc/06/42/69/1288064269.db2.gz ZNQIWOLYYCHPPM-AEFFLSMTSA-N 1 0 348.487 2.947 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)CCCn2cccc2)cc1C ZINC001176795739 1288117128 /nfs/dbraw/zinc/11/71/28/1288117128.db2.gz VAWREGGAOQOGGU-UHFFFAOYSA-N 1 0 343.471 2.881 20 10 EFCDRO COCCNC(=O)C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816483840 1288154025 /nfs/dbraw/zinc/15/40/25/1288154025.db2.gz HEHFOUPBICBDFA-UHFFFAOYSA-N 1 0 342.439 2.520 20 10 EFCDRO C[NH+](C)CCOC1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816507492 1288178851 /nfs/dbraw/zinc/17/88/51/1288178851.db2.gz IIIUSQOFZFZLDW-UHFFFAOYSA-N 1 0 330.831 2.727 20 10 EFCDRO OCCn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc2ccccc2c1O ZINC000816539075 1288196463 /nfs/dbraw/zinc/19/64/63/1288196463.db2.gz QYZFHJFPLMGTOV-GOSISDBHSA-N 1 0 337.423 2.901 20 10 EFCDRO CC1=CC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000816549052 1288198499 /nfs/dbraw/zinc/19/84/99/1288198499.db2.gz BIOZXIBFZKMJHI-QGZVFWFLSA-N 1 0 334.485 2.510 20 10 EFCDRO CC1=CC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000816549051 1288198564 /nfs/dbraw/zinc/19/85/64/1288198564.db2.gz BIOZXIBFZKMJHI-KRWDZBQOSA-N 1 0 334.485 2.510 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCN1CC(C)(C)O ZINC000816585129 1288207647 /nfs/dbraw/zinc/20/76/47/1288207647.db2.gz BJRLCXUGWROHOE-OAHLLOKOSA-N 1 0 328.456 2.822 20 10 EFCDRO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816569282 1288212053 /nfs/dbraw/zinc/21/20/53/1288212053.db2.gz GCZXIERYRMPALO-INIZCTEOSA-N 1 0 325.412 2.581 20 10 EFCDRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816569920 1288212148 /nfs/dbraw/zinc/21/21/48/1288212148.db2.gz BFKIZPIKDSAQOS-IBGZPJMESA-N 1 0 331.412 2.728 20 10 EFCDRO COCC1([NH2+]Cc2cc(Br)cc(C)c2O)CCOCC1 ZINC000816625450 1288213984 /nfs/dbraw/zinc/21/39/84/1288213984.db2.gz DRSZPYYICZGNLW-UHFFFAOYSA-N 1 0 344.249 2.748 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)COc1ccccc1 ZINC001177186010 1288324114 /nfs/dbraw/zinc/32/41/14/1288324114.db2.gz AZYSBAFQMRKSRZ-IBGZPJMESA-N 1 0 326.440 2.816 20 10 EFCDRO O=C(NCc1ccccc1O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000816911935 1288327122 /nfs/dbraw/zinc/32/71/22/1288327122.db2.gz DTAIJRQFNJFOPB-LJQANCHMSA-N 1 0 338.451 2.963 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCC[C@@H]2OC)cc1C ZINC001177255458 1288353068 /nfs/dbraw/zinc/35/30/68/1288353068.db2.gz MIIZJXUOJBQPNM-HKUYNNGSSA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)CCc2cscn2)cc1C ZINC001177325190 1288390938 /nfs/dbraw/zinc/39/09/38/1288390938.db2.gz IHCUEHRIJUIVLK-UHFFFAOYSA-N 1 0 347.484 2.689 20 10 EFCDRO C[N@H+](Cc1cccc(CN2CCOCC2)c1)Cc1ccccc1O ZINC000817275980 1288519958 /nfs/dbraw/zinc/51/99/58/1288519958.db2.gz PQQSKILYZBJZKO-UHFFFAOYSA-N 1 0 326.440 2.856 20 10 EFCDRO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000817370323 1288562456 /nfs/dbraw/zinc/56/24/56/1288562456.db2.gz NPWSZIAXJNIWCA-GXTWGEPZSA-N 1 0 349.427 2.921 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CC2(CC(N)=O)CC2)c(C(F)(F)F)c1 ZINC000817411663 1288590617 /nfs/dbraw/zinc/59/06/17/1288590617.db2.gz XFDADUWQJNLAQL-UHFFFAOYSA-N 1 0 329.366 2.517 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCOC(C)C)[C@H]2C)cc1C ZINC001178167676 1288677520 /nfs/dbraw/zinc/67/75/20/1288677520.db2.gz WDMCSTBWLNMJHI-WMZOPIPTSA-N 1 0 348.487 2.898 20 10 EFCDRO COCCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001178185718 1288695362 /nfs/dbraw/zinc/69/53/62/1288695362.db2.gz OIKCWEQOXCBJBO-RDJZCZTQSA-N 1 0 334.460 2.509 20 10 EFCDRO COc1ccc(C[NH2+]CCCCCCNC(=O)c2ncc[nH]2)cc1C ZINC001178423157 1288784718 /nfs/dbraw/zinc/78/47/18/1288784718.db2.gz BBPRVSYSEIHYGJ-UHFFFAOYSA-N 1 0 344.459 2.807 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)COC(C)(C)C)[C@H]2C)cc1C ZINC001178517304 1288804711 /nfs/dbraw/zinc/80/47/11/1288804711.db2.gz OYXNNQGXECFPDT-RDJZCZTQSA-N 1 0 348.487 2.898 20 10 EFCDRO CC(C)n1cncc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000822443639 1288967072 /nfs/dbraw/zinc/96/70/72/1288967072.db2.gz YUANTSZOYTTYPI-UHFFFAOYSA-N 1 0 328.460 2.933 20 10 EFCDRO CC(C)[N@H+](Cc1cnc(N(C)C)n1C)Cc1ccc(N(C)C)cc1 ZINC000822442989 1288988462 /nfs/dbraw/zinc/98/84/62/1288988462.db2.gz MRTKLZGQLVEYLA-UHFFFAOYSA-N 1 0 329.492 2.963 20 10 EFCDRO CCN(C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(O)ccc1O)C2)C(C)C ZINC001277659654 1312692831 /nfs/dbraw/zinc/69/28/31/1312692831.db2.gz BSYMTYBSAIIRST-CCWDJLKJSA-N 1 0 346.471 2.813 20 10 EFCDRO COC1([C@H](C)[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)CCOCC1 ZINC000903447723 1312693203 /nfs/dbraw/zinc/69/32/03/1312693203.db2.gz BQUFDUJHOXNKOY-QFBILLFUSA-N 1 0 349.519 2.529 20 10 EFCDRO CN(C)C(=O)[C@@H]1CCC2(C1)CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001277660027 1312693559 /nfs/dbraw/zinc/69/35/59/1312693559.db2.gz NNQUQKXJUDZRMX-CQSZACIVSA-N 1 0 332.444 2.568 20 10 EFCDRO C[C@@H]1C[C@@H](NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c2nccn21 ZINC000903447868 1312693746 /nfs/dbraw/zinc/69/37/46/1312693746.db2.gz DPFRXDUYPJYSRS-ZTFGCOKTSA-N 1 0 327.476 2.847 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)c2ccccc2n1C ZINC001232402507 1312693868 /nfs/dbraw/zinc/69/38/68/1312693868.db2.gz OWRIUYUNJBYCDF-SUMWQHHRSA-N 1 0 330.428 2.558 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@@H](C)[C@H](O)CC2)c2ccccc2n1C ZINC001232402572 1312693874 /nfs/dbraw/zinc/69/38/74/1312693874.db2.gz PQXWQQQQIREPPF-CXAGYDPISA-N 1 0 330.428 2.558 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCCc3c2cnn3C)N(C)C)cc1 ZINC000903448180 1312694043 /nfs/dbraw/zinc/69/40/43/1312694043.db2.gz LRNMFFLDSRXJKI-ICSRJNTNSA-N 1 0 341.503 2.756 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c2ccccc2n1C ZINC001232401651 1312694075 /nfs/dbraw/zinc/69/40/75/1312694075.db2.gz ANCRZVBVTHGREV-KBXCAEBGSA-N 1 0 342.439 2.966 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]C2CCC3(CC2)OCCO3)N(C)C)cc1 ZINC000903447953 1312694282 /nfs/dbraw/zinc/69/42/82/1312694282.db2.gz GTSAAHGXWZOJSU-IBGZPJMESA-N 1 0 347.503 2.631 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2CCC23CCOCC3)N(C)C)cc1 ZINC000903447827 1312694330 /nfs/dbraw/zinc/69/43/30/1312694330.db2.gz CVYATUJNPHDDOD-RTBURBONSA-N 1 0 331.504 2.904 20 10 EFCDRO COc1cc([C@@H](C)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)on1 ZINC000903448382 1312694638 /nfs/dbraw/zinc/69/46/38/1312694638.db2.gz OFZLWXPNKWPQOV-CJNGLKHVSA-N 1 0 332.448 2.703 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@](C)(O)CC2)c2ccccc2n1C ZINC001232403106 1312694762 /nfs/dbraw/zinc/69/47/62/1312694762.db2.gz UNARKCPPMLEOKK-IBGZPJMESA-N 1 0 330.428 2.702 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@@H](OC(C)C)C2)c2ccccc2n1C ZINC001232405363 1312694910 /nfs/dbraw/zinc/69/49/10/1312694910.db2.gz IUBBMEBHGGPIAM-CQSZACIVSA-N 1 0 330.428 2.964 20 10 EFCDRO COC(=O)c1c(C[N@H+](C)C[C@H]2CCCCO2)c2ccccc2n1C ZINC001232407769 1312695611 /nfs/dbraw/zinc/69/56/11/1312695611.db2.gz TZANUVRDDPIJFH-CQSZACIVSA-N 1 0 330.428 2.966 20 10 EFCDRO Oc1ccc([C@@H](O)C[NH2+][C@@H]2CCc3c(Cl)cccc3C2)cc1O ZINC001171013359 1289266962 /nfs/dbraw/zinc/26/69/62/1289266962.db2.gz UADFPMRQFRCFCE-ACJLOTCBSA-N 1 0 333.815 2.932 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)[C@@H]2CCNC2=O)cc1 ZINC000823489850 1289319762 /nfs/dbraw/zinc/31/97/62/1289319762.db2.gz OIOCDBMSNHAQGW-QGZVFWFLSA-N 1 0 329.469 2.705 20 10 EFCDRO Cc1cc(O)c(CN2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1Cl ZINC000825622825 1289352536 /nfs/dbraw/zinc/35/25/36/1289352536.db2.gz YPRWCPFIKVKJPP-CYBMUJFWSA-N 1 0 326.868 2.631 20 10 EFCDRO CONC(=O)C1CC[NH+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000872793055 1289385360 /nfs/dbraw/zinc/38/53/60/1289385360.db2.gz JNWYOSKZBCYEGY-UHFFFAOYSA-N 1 0 334.460 2.888 20 10 EFCDRO C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000823851379 1289470203 /nfs/dbraw/zinc/47/02/03/1289470203.db2.gz LXJWWHWLOXBZLS-HNNXBMFYSA-N 1 0 338.517 2.836 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](OC)C(F)(F)F)cc1Cn1cccn1 ZINC000873049963 1289540584 /nfs/dbraw/zinc/54/05/84/1289540584.db2.gz NOHLXDAKBODJFV-OAHLLOKOSA-N 1 0 343.349 2.607 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2ccco2)cc1Cn1cccn1 ZINC000873061719 1289547085 /nfs/dbraw/zinc/54/70/85/1289547085.db2.gz KTWJJSJMQHWQFF-LJQANCHMSA-N 1 0 341.411 2.530 20 10 EFCDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873066407 1289548649 /nfs/dbraw/zinc/54/86/49/1289548649.db2.gz UZYBQXFJHCCCFZ-CRAIPNDOSA-N 1 0 331.460 2.827 20 10 EFCDRO COc1ccc(C[NH2+]C2CCC(C)(O)CC2)cc1Cn1cccn1 ZINC000873069549 1289551819 /nfs/dbraw/zinc/55/18/19/1289551819.db2.gz JTBXAFCPORGXBV-UHFFFAOYSA-N 1 0 329.444 2.723 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@]2(C)CCCC[C@@H]2O)cc1Cn1cccn1 ZINC000873072668 1289552850 /nfs/dbraw/zinc/55/28/50/1289552850.db2.gz ZVXIHLCINXTMSR-VQTJNVASSA-N 1 0 343.471 2.971 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@H](CC)C(=O)N2CCOCC2)cc1C ZINC000873074248 1289553782 /nfs/dbraw/zinc/55/37/82/1289553782.db2.gz KDSDDKOFPASZIX-QGZVFWFLSA-N 1 0 334.460 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CSCCS2)cc1Cn1cccn1 ZINC000873074096 1289554176 /nfs/dbraw/zinc/55/41/76/1289554176.db2.gz IOJQTSZVVCTXIT-INIZCTEOSA-N 1 0 349.525 2.878 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)cc1Cn1cccn1 ZINC000873126614 1289582128 /nfs/dbraw/zinc/58/21/28/1289582128.db2.gz VDQFVWOEMLAHOV-RDJZCZTQSA-N 1 0 329.444 2.702 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)cc1Cn1cccn1 ZINC000873132114 1289587684 /nfs/dbraw/zinc/58/76/84/1289587684.db2.gz HZLQMDCZHLFLNC-VYDXJSESSA-N 1 0 329.444 2.843 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)[C@@H](O)C(C)C ZINC000873132535 1289588162 /nfs/dbraw/zinc/58/81/62/1289588162.db2.gz WVXIQUCVMPPLTH-MJGOQNOKSA-N 1 0 331.460 2.825 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+]CCn2ccc(C(F)(F)F)n2)c1 ZINC000873158086 1289609021 /nfs/dbraw/zinc/60/90/21/1289609021.db2.gz QBASJZFVGMFECJ-UHFFFAOYSA-N 1 0 329.322 2.796 20 10 EFCDRO COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000873193882 1289632670 /nfs/dbraw/zinc/63/26/70/1289632670.db2.gz DUCVAYQUTQJLKL-XOBRGWDASA-N 1 0 344.455 2.982 20 10 EFCDRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]Cc2cc(C)ccc2O)c1 ZINC000873194627 1289633817 /nfs/dbraw/zinc/63/38/17/1289633817.db2.gz ICPKVTOSQZZCJU-ORAYPTAESA-N 1 0 331.412 2.930 20 10 EFCDRO COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]Cc2cc(C)ccc2O)c1 ZINC000873194628 1289634134 /nfs/dbraw/zinc/63/41/34/1289634134.db2.gz ICPKVTOSQZZCJU-YJYMSZOUSA-N 1 0 331.412 2.930 20 10 EFCDRO Cc1cc(Br)cc(CN[C@]23CCC[C@H]2[NH2+]CC3)c1O ZINC000873230253 1289664858 /nfs/dbraw/zinc/66/48/58/1289664858.db2.gz OEJWXSJGSYSJAL-HIFRSBDPSA-N 1 0 325.250 2.837 20 10 EFCDRO OCCCN1CCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000824559087 1289699356 /nfs/dbraw/zinc/69/93/56/1289699356.db2.gz FGCIACXWERPYJF-HXUWFJFHSA-N 1 0 340.467 2.996 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCN2CCCO)cc1F ZINC000824559199 1289699761 /nfs/dbraw/zinc/69/97/61/1289699761.db2.gz KJEPMYGEAPQZMQ-KRWDZBQOSA-N 1 0 337.483 2.608 20 10 EFCDRO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000824560992 1289700935 /nfs/dbraw/zinc/70/09/35/1289700935.db2.gz NURGCDMVGPFYMJ-INIZCTEOSA-N 1 0 334.460 2.799 20 10 EFCDRO CCOc1ccc(N2CC[NH+](Cc3c[nH]c4nccnc34)CC2)cc1 ZINC001232548797 1312729684 /nfs/dbraw/zinc/72/96/84/1312729684.db2.gz ICQNCSAMOLBQCF-UHFFFAOYSA-N 1 0 337.427 2.630 20 10 EFCDRO CC[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016369043 1312747552 /nfs/dbraw/zinc/74/75/52/1312747552.db2.gz QQVPOSHETCYDAV-IUODEOHRSA-N 1 0 331.420 2.699 20 10 EFCDRO CC1CC(C[N@@H+]2CC[C@H](NC(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001016370020 1312748118 /nfs/dbraw/zinc/74/81/18/1312748118.db2.gz XJAYNEHHWVQAQF-ZUEPYMLJSA-N 1 0 343.431 2.699 20 10 EFCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCc3ncc(Br)n3C1)CC2 ZINC000903481116 1312748185 /nfs/dbraw/zinc/74/81/85/1312748185.db2.gz VICSSEFVHMATIS-NWDGAFQWSA-N 1 0 348.244 2.943 20 10 EFCDRO Cc1cc(O)c(C[NH2+]CCCN2CCCO[C@H](C)C2)cc1Cl ZINC000825697582 1290045620 /nfs/dbraw/zinc/04/56/20/1290045620.db2.gz HITAPIJQTHPNPZ-CQSZACIVSA-N 1 0 326.868 2.945 20 10 EFCDRO O=C(NCc1cc(Cl)c2cccnc2c1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182017422 1290061890 /nfs/dbraw/zinc/06/18/90/1290061890.db2.gz KZWUKDQVXQGIEO-CQSZACIVSA-N 1 0 345.830 2.552 20 10 EFCDRO COc1cc(CN2CC[S@](=O)C[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000825698747 1290063313 /nfs/dbraw/zinc/06/33/13/1290063313.db2.gz RESPTVYAVVVYKX-ZLOXQWCVSA-N 1 0 339.501 2.899 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[C@H](C)SC)C2)cc1C ZINC001182108252 1290076297 /nfs/dbraw/zinc/07/62/97/1290076297.db2.gz JYSMMBXEZKVCRR-GOEBONIOSA-N 1 0 336.501 2.836 20 10 EFCDRO CC[C@H](C)OCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001182089226 1290081731 /nfs/dbraw/zinc/08/17/31/1290081731.db2.gz RKKQJPKJPRRCJX-DOTOQJQBSA-N 1 0 334.460 2.509 20 10 EFCDRO O=C(CCc1ccc(O)c(O)c1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001182154393 1290095808 /nfs/dbraw/zinc/09/58/08/1290095808.db2.gz HIWLXTXIARSLLS-INIZCTEOSA-N 1 0 332.444 2.507 20 10 EFCDRO CN1CCCc2cc(CNC(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)ccc21 ZINC000247237670 1290150083 /nfs/dbraw/zinc/15/00/83/1290150083.db2.gz ZSGDJGUTOPYAQS-QZTJIDSGSA-N 1 0 344.503 2.741 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)c1O ZINC001204336375 1290175721 /nfs/dbraw/zinc/17/57/21/1290175721.db2.gz MCSXUHDHMWESIL-GWCFXTLKSA-N 1 0 344.249 2.756 20 10 EFCDRO C[N@H+](CC(=O)NCc1ccc(N2CCSCC2)cc1)CC(C)(C)C ZINC000874081044 1290196288 /nfs/dbraw/zinc/19/62/88/1290196288.db2.gz BZYGCCHCFOPKTJ-UHFFFAOYSA-N 1 0 349.544 2.834 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2conc2C2CC2)cc1C ZINC001166439686 1312776341 /nfs/dbraw/zinc/77/63/41/1312776341.db2.gz LAFQDZNQFDTEQJ-UHFFFAOYSA-N 1 0 343.427 2.779 20 10 EFCDRO Cc1nc(CC[N@@H+](C)Cc2cc(C)c(Br)cc2O)no1 ZINC001250120983 1290381429 /nfs/dbraw/zinc/38/14/29/1290381429.db2.gz XGLNQSDQCQWXBT-UHFFFAOYSA-N 1 0 340.221 2.829 20 10 EFCDRO CC(C)[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001037136614 1290432687 /nfs/dbraw/zinc/43/26/87/1290432687.db2.gz XERQOIQMMLMELY-DZGCQCFKSA-N 1 0 331.420 2.746 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1Cl ZINC000825779848 1290504040 /nfs/dbraw/zinc/50/40/40/1290504040.db2.gz QWWCPDHRWFGLSI-HNNXBMFYSA-N 1 0 338.879 2.898 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)CC[C@]1(O)C(F)(F)F ZINC001232836973 1312791609 /nfs/dbraw/zinc/79/16/09/1312791609.db2.gz XYSXNHTYZFNIKB-XHDPSFHLSA-N 1 0 332.366 2.593 20 10 EFCDRO COC[C@H]1COCCC12CC[NH+](Cc1ccc(N(C)C)cc1O)CC2 ZINC001232837500 1312791630 /nfs/dbraw/zinc/79/16/30/1312791630.db2.gz JQJFYNSVEGNWRI-KRWDZBQOSA-N 1 0 348.487 2.723 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232838265 1312792294 /nfs/dbraw/zinc/79/22/94/1312792294.db2.gz CBXRPOYGUFAGGV-CQSZACIVSA-N 1 0 349.475 2.805 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001232838630 1312792302 /nfs/dbraw/zinc/79/23/02/1312792302.db2.gz HVRNVSZPLFAPCH-ICSRJNTNSA-N 1 0 346.471 2.618 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)c(O)c1 ZINC001232841107 1312792893 /nfs/dbraw/zinc/79/28/93/1312792893.db2.gz SRUDZUHJSUPTKG-UHFFFAOYSA-N 1 0 333.476 2.539 20 10 EFCDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3O)C2)c1 ZINC001232841679 1312793078 /nfs/dbraw/zinc/79/30/78/1312793078.db2.gz OFDFKKBPJUCUEZ-QGZVFWFLSA-N 1 0 343.427 2.515 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c(O)c1 ZINC001232840469 1312793085 /nfs/dbraw/zinc/79/30/85/1312793085.db2.gz XVAPEIOKNYTUJR-PMACEKPBSA-N 1 0 337.467 2.917 20 10 EFCDRO COC(=O)c1cccc2c1CC[N@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232841356 1312793204 /nfs/dbraw/zinc/79/32/04/1312793204.db2.gz DQLDRAINHDCOJK-UHFFFAOYSA-N 1 0 340.423 2.803 20 10 EFCDRO CCOC(=O)N1CCC([N@H+](C)Cc2ccc(N(C)C)cc2O)CC1 ZINC001232840378 1312793270 /nfs/dbraw/zinc/79/32/70/1312793270.db2.gz VVUHRRBHBXKWKT-UHFFFAOYSA-N 1 0 335.448 2.511 20 10 EFCDRO Cc1cncnc1O[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232841969 1312793638 /nfs/dbraw/zinc/79/36/38/1312793638.db2.gz VYDRHHVLBLGNTN-QGZVFWFLSA-N 1 0 342.443 2.600 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)c(O)c1 ZINC001232842032 1312793676 /nfs/dbraw/zinc/79/36/76/1312793676.db2.gz XMOJIHSUHUNUHM-SFHVURJKSA-N 1 0 327.428 2.897 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)Cc1ccccc1O ZINC000091956791 1290616534 /nfs/dbraw/zinc/61/65/34/1290616534.db2.gz ZQXKBOIRQRSZLS-UHFFFAOYSA-N 1 0 330.403 3.000 20 10 EFCDRO Cc1noc(C)c1NC(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001185210326 1290619538 /nfs/dbraw/zinc/61/95/38/1290619538.db2.gz ACZRWZLDLYKNRN-UHFFFAOYSA-N 1 0 344.415 2.783 20 10 EFCDRO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876611733 1290954354 /nfs/dbraw/zinc/95/43/54/1290954354.db2.gz PUMSJIXHVUDVSB-UHFFFAOYSA-N 1 0 329.444 2.885 20 10 EFCDRO C[N@H+](Cc1ccc(I)cc1O)C1CCOCC1 ZINC001232975253 1312823990 /nfs/dbraw/zinc/82/39/90/1312823990.db2.gz XUMQCSVDFJFUTP-UHFFFAOYSA-N 1 0 347.196 2.608 20 10 EFCDRO COCC[N@H+](Cc1ccc(I)cc1O)C(C)C ZINC001232979437 1312824356 /nfs/dbraw/zinc/82/43/56/1312824356.db2.gz YGKHKBYZEAHQCJ-UHFFFAOYSA-N 1 0 349.212 2.854 20 10 EFCDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C ZINC000876753845 1291007736 /nfs/dbraw/zinc/00/77/36/1291007736.db2.gz ASEURSOAOMNHTK-SJORKVTESA-N 1 0 331.504 2.562 20 10 EFCDRO CCC1(CO)CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876759231 1291009211 /nfs/dbraw/zinc/00/92/11/1291009211.db2.gz INHWVADKDZPYJW-UHFFFAOYSA-N 1 0 332.488 2.632 20 10 EFCDRO CC(C)CO[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876809009 1291028849 /nfs/dbraw/zinc/02/88/49/1291028849.db2.gz OYBVIKULYZYIFC-FQEVSTJZSA-N 1 0 332.488 2.895 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]([NH3+])c1cccc(OC)c1 ZINC000876873798 1291053683 /nfs/dbraw/zinc/05/36/83/1291053683.db2.gz QKZIXEVQJSPHJS-IBGZPJMESA-N 1 0 341.455 2.810 20 10 EFCDRO Cc1ccc(C[NH2+][C@@H](CN2CCN(C)CC2)c2ccccc2)c(O)c1 ZINC000876875146 1291055360 /nfs/dbraw/zinc/05/53/60/1291055360.db2.gz QHXYQHUQFBGQAP-FQEVSTJZSA-N 1 0 339.483 2.779 20 10 EFCDRO Cc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)c(O)c1 ZINC000876886140 1291057973 /nfs/dbraw/zinc/05/79/73/1291057973.db2.gz VJQHMBCLPDWDSY-KRWDZBQOSA-N 1 0 345.512 2.840 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]CCOc3ccccc3)cc2)CC1 ZINC000876893448 1291062603 /nfs/dbraw/zinc/06/26/03/1291062603.db2.gz YXSQQFRFFXPXJH-UHFFFAOYSA-N 1 0 326.440 2.816 20 10 EFCDRO CC(C)C[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)N(C)C ZINC000876923903 1291074816 /nfs/dbraw/zinc/07/48/16/1291074816.db2.gz GWJWZLXBVXAWTN-LJQANCHMSA-N 1 0 333.520 2.714 20 10 EFCDRO CN(Cc1cc(O)c(O)c(O)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001233016085 1312832415 /nfs/dbraw/zinc/83/24/15/1312832415.db2.gz MDDJHJUKSCXEDX-KRWDZBQOSA-N 1 0 342.439 2.900 20 10 EFCDRO CC[C@H](C)[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)OC ZINC000876965622 1291089222 /nfs/dbraw/zinc/08/92/22/1291089222.db2.gz JGELLVJISJEIMY-LIRRHRJNSA-N 1 0 338.467 2.938 20 10 EFCDRO C[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876974946 1291094179 /nfs/dbraw/zinc/09/41/79/1291094179.db2.gz YBDQEAOBWQBEMR-ZDUSSCGKSA-N 1 0 346.393 2.705 20 10 EFCDRO CN(Cc1cc(O)c(O)c(O)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001233010290 1312831914 /nfs/dbraw/zinc/83/19/14/1312831914.db2.gz NWAUFSGBAUFXOL-UHFFFAOYSA-N 1 0 342.439 2.900 20 10 EFCDRO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)cc1[O-] ZINC000248523915 1291108640 /nfs/dbraw/zinc/10/86/40/1291108640.db2.gz STSZUSQLBFDANU-KBXCAEBGSA-N 1 0 344.430 2.949 20 10 EFCDRO Oc1cc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc(O)c1O ZINC001233015246 1312832708 /nfs/dbraw/zinc/83/27/08/1312832708.db2.gz GMWHEXSYHDTEHY-IRXDYDNUSA-N 1 0 340.423 2.510 20 10 EFCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccs1 ZINC000877047493 1291115966 /nfs/dbraw/zinc/11/59/66/1291115966.db2.gz BGWSEXSDWYCEQL-LJQANCHMSA-N 1 0 346.496 2.707 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]CC3(O)CCCCCC3)cc2)CC1 ZINC000877049980 1291116759 /nfs/dbraw/zinc/11/67/59/1291116759.db2.gz WQIMKAMKGWAHGV-UHFFFAOYSA-N 1 0 332.488 2.823 20 10 EFCDRO COc1ccccc1[C@H](O)C[N@H+](Cc1cc(O)c(O)c(O)c1)C(C)C ZINC001233016814 1312833420 /nfs/dbraw/zinc/83/34/20/1312833420.db2.gz PGZGCXCVEGHRIH-QGZVFWFLSA-N 1 0 347.411 2.756 20 10 EFCDRO COc1ccccc1N1CC[C@H]([NH2+]Cc2ccc(C)cc2O)C1=O ZINC000877085324 1291130220 /nfs/dbraw/zinc/13/02/20/1291130220.db2.gz SITPGYSFRWEJSR-HNNXBMFYSA-N 1 0 326.396 2.604 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]4OCC[C@@H]43)cc2)CC1 ZINC000877087508 1291131552 /nfs/dbraw/zinc/13/15/52/1291131552.db2.gz ZIKTXGWIFBQFTM-AQNXPRMDSA-N 1 0 330.472 2.695 20 10 EFCDRO OCC[N@H+](CCc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000093389654 1291132721 /nfs/dbraw/zinc/13/27/21/1291132721.db2.gz VJJUUIBEJXGLSW-UHFFFAOYSA-N 1 0 340.467 2.560 20 10 EFCDRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877130221 1291138699 /nfs/dbraw/zinc/13/86/99/1291138699.db2.gz PUUQTVRAJTVQSD-HNAYVOBHSA-N 1 0 344.455 2.843 20 10 EFCDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877130218 1291139524 /nfs/dbraw/zinc/13/95/24/1291139524.db2.gz PUUQTVRAJTVQSD-DNVCBOLYSA-N 1 0 344.455 2.843 20 10 EFCDRO CCC1(O)CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877134700 1291140961 /nfs/dbraw/zinc/14/09/61/1291140961.db2.gz GTWNOXJMIDSKJN-UHFFFAOYSA-N 1 0 332.488 2.821 20 10 EFCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)CC(C)C ZINC000877145463 1291145984 /nfs/dbraw/zinc/14/59/84/1291145984.db2.gz ICPYOQSXZVZCLS-HKUYNNGSSA-N 1 0 347.503 2.539 20 10 EFCDRO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877187846 1291158118 /nfs/dbraw/zinc/15/81/18/1291158118.db2.gz JWESRCRBJYCHTA-LJQANCHMSA-N 1 0 346.471 2.565 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)c2C)cc1 ZINC000877244971 1291176182 /nfs/dbraw/zinc/17/61/82/1291176182.db2.gz XGVUOAIBUIIUOP-GASCZTMLSA-N 1 0 327.428 2.570 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)CCc2cncs2)cc1C ZINC001166759490 1312837346 /nfs/dbraw/zinc/83/73/46/1312837346.db2.gz VLAUTQXQKOEELP-UHFFFAOYSA-N 1 0 347.484 2.689 20 10 EFCDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877438117 1291232427 /nfs/dbraw/zinc/23/24/27/1291232427.db2.gz BZKYYKKFYAPQAA-HXUWFJFHSA-N 1 0 332.488 2.632 20 10 EFCDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877486474 1291246263 /nfs/dbraw/zinc/24/62/63/1291246263.db2.gz NYFHRXZYXPBOBX-LPHOPBHVSA-N 1 0 332.488 2.773 20 10 EFCDRO CCOC(=O)N1CCC(C)(C[NH2+]Cc2ccc(OC)cc2O)CC1 ZINC000877493370 1291249015 /nfs/dbraw/zinc/24/90/15/1291249015.db2.gz LDRTXPIVNBAIIQ-UHFFFAOYSA-N 1 0 336.432 2.749 20 10 EFCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877517207 1291254632 /nfs/dbraw/zinc/25/46/32/1291254632.db2.gz MJRYUMBRRZJWIB-ILACCBGSSA-N 1 0 342.483 2.503 20 10 EFCDRO CC(C)C[N@H+](CCN(C)C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877522533 1291259357 /nfs/dbraw/zinc/25/93/57/1291259357.db2.gz BSZABJVCZKMZQE-UHFFFAOYSA-N 1 0 333.520 2.667 20 10 EFCDRO Cc1ccc(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)c(O)c1 ZINC000877534923 1291265443 /nfs/dbraw/zinc/26/54/43/1291265443.db2.gz QRSUHHMVSYWBOL-OAHLLOKOSA-N 1 0 328.412 2.801 20 10 EFCDRO CCC[N@H+](CC)C[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877543122 1291267134 /nfs/dbraw/zinc/26/71/34/1291267134.db2.gz XVPNVDYDNQQAIP-QGZVFWFLSA-N 1 0 333.520 2.858 20 10 EFCDRO CCC[N@H+](CC)C[C@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877543121 1291267686 /nfs/dbraw/zinc/26/76/86/1291267686.db2.gz XVPNVDYDNQQAIP-KRWDZBQOSA-N 1 0 333.520 2.858 20 10 EFCDRO OC1CCN(c2ccc(C[N@@H+]3CCOC[C@H](C4CCC4)C3)cc2)CC1 ZINC000877545274 1291269191 /nfs/dbraw/zinc/26/91/91/1291269191.db2.gz DYHIKUALHPMKIK-LJQANCHMSA-N 1 0 344.499 2.896 20 10 EFCDRO CCc1nc(C)c(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000877547553 1291270888 /nfs/dbraw/zinc/27/08/88/1291270888.db2.gz AKSQSFZCOZEIIN-UHFFFAOYSA-N 1 0 329.444 2.796 20 10 EFCDRO C[C@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)CC[N@@H+](C2CC2)C1 ZINC000877555487 1291274459 /nfs/dbraw/zinc/27/44/59/1291274459.db2.gz ZRCNULWSBUKYCH-KRWDZBQOSA-N 1 0 343.515 2.564 20 10 EFCDRO Cc1ccc2c(c1)C[N@@H+](Cc1cc3c(cc1O)OC[C@H]3O)CCO2 ZINC000795712033 1291278884 /nfs/dbraw/zinc/27/88/84/1291278884.db2.gz VJGFUVSERNRYHB-QGZVFWFLSA-N 1 0 327.380 2.521 20 10 EFCDRO CN(CC[NH+]1CCCCC1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877615429 1291291388 /nfs/dbraw/zinc/29/13/88/1291291388.db2.gz RHFQREJBWZZIMA-UHFFFAOYSA-N 1 0 331.504 2.565 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CC3(Cl)Cl)cc2)CC1 ZINC000877636582 1291301943 /nfs/dbraw/zinc/30/19/43/1291301943.db2.gz CFFSEOAEQBJPAE-CYBMUJFWSA-N 1 0 329.271 2.931 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000877675265 1291324640 /nfs/dbraw/zinc/32/46/40/1291324640.db2.gz PTVBVEGIEPUSQB-AWEZNQCLSA-N 1 0 327.354 2.546 20 10 EFCDRO [O-]c1c(C[N@H+]2CCCC[C@](O)(C(F)(F)F)C2)ccc(F)c1F ZINC001233076018 1312849816 /nfs/dbraw/zinc/84/98/16/1312849816.db2.gz JJKOZGSPAAWOFR-CYBMUJFWSA-N 1 0 325.277 2.950 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCCOC(C)C)C2)cc1C ZINC001188397331 1291378389 /nfs/dbraw/zinc/37/83/89/1291378389.db2.gz GNLNSLOQNBYHBU-GOSISDBHSA-N 1 0 348.487 2.899 20 10 EFCDRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]Cc2cc(F)ccc2O)c1 ZINC000877831916 1291400694 /nfs/dbraw/zinc/40/06/94/1291400694.db2.gz BYTONHFDNBRWIY-BBATYDOGSA-N 1 0 335.375 2.760 20 10 EFCDRO CCCC[NH+]1CCC(NC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000126748724 1291402047 /nfs/dbraw/zinc/40/20/47/1291402047.db2.gz VUAASOITWSGYOH-UHFFFAOYSA-N 1 0 332.492 2.816 20 10 EFCDRO Cc1cc(Br)cc(CN2CCC[C@@H]3C[N@@H+](C)C[C@H]32)c1O ZINC001233109804 1312856500 /nfs/dbraw/zinc/85/65/00/1312856500.db2.gz GZONGYWWLLGPKR-IUODEOHRSA-N 1 0 339.277 2.989 20 10 EFCDRO Cc1cc(Br)cc(C[NH+]2CCC(C)(C(N)=O)CC2)c1O ZINC001233109727 1312856632 /nfs/dbraw/zinc/85/66/32/1312856632.db2.gz ANCJTIQOOWRCGP-UHFFFAOYSA-N 1 0 341.249 2.551 20 10 EFCDRO Cc1cc(Br)cc(CN2CCC[C@@H]3C[N@@H+](C)C[C@@H]32)c1O ZINC001233109802 1312856776 /nfs/dbraw/zinc/85/67/76/1312856776.db2.gz GZONGYWWLLGPKR-DOMZBBRYSA-N 1 0 339.277 2.989 20 10 EFCDRO Cc1cc(Br)cc(CN2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)c1O ZINC001233111178 1312856935 /nfs/dbraw/zinc/85/69/35/1312856935.db2.gz KAECIKZNLYEINJ-IUODEOHRSA-N 1 0 339.277 2.989 20 10 EFCDRO COC[C@@H]1C[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@H](C)O1 ZINC000249459813 1291467091 /nfs/dbraw/zinc/46/70/91/1291467091.db2.gz FDZDPBBLPLZJGJ-BBRMVZONSA-N 1 0 337.460 2.934 20 10 EFCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000826019873 1291481641 /nfs/dbraw/zinc/48/16/41/1291481641.db2.gz LYZXEHALNQISIF-SFHVURJKSA-N 1 0 329.488 2.881 20 10 EFCDRO CCN(CC)c1ccc(CN(C)C(=O)c2ccnc(C[NH3+])c2)cc1 ZINC000826020720 1291481819 /nfs/dbraw/zinc/48/18/19/1291481819.db2.gz XCWALPIPIQMOHV-UHFFFAOYSA-N 1 0 326.444 2.659 20 10 EFCDRO COc1cc(O)c(CN2CC[NH+](C(C)C)CC2)cc1Br ZINC001233135393 1312863167 /nfs/dbraw/zinc/86/31/67/1312863167.db2.gz RXGNGZDVYLFLNK-UHFFFAOYSA-N 1 0 343.265 2.689 20 10 EFCDRO COc1cc(O)c(CN(C)CCC[NH+](C)C)cc1Br ZINC001233135044 1312863408 /nfs/dbraw/zinc/86/34/08/1312863408.db2.gz KHTIEKOYNGISSV-UHFFFAOYSA-N 1 0 331.254 2.547 20 10 EFCDRO COc1cc(O)c(CN(C)Cc2ncccn2)cc1Br ZINC001233135649 1312863505 /nfs/dbraw/zinc/86/35/05/1312863505.db2.gz XDJQWDIGRIWFFQ-UHFFFAOYSA-N 1 0 338.205 2.585 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@](C)(O)C2)cc1Br ZINC001233135201 1312863715 /nfs/dbraw/zinc/86/37/15/1312863715.db2.gz ONGRMALHPZDNDW-HNNXBMFYSA-N 1 0 344.249 2.900 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)cc1Br ZINC001233134848 1312863742 /nfs/dbraw/zinc/86/37/42/1312863742.db2.gz GFBOKRJZCSLGIP-GWCFXTLKSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(CCCO3)C2)cc1Br ZINC001233138164 1312864376 /nfs/dbraw/zinc/86/43/76/1312864376.db2.gz WSMMANPONGEHFU-HNNXBMFYSA-N 1 0 342.233 2.918 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@@H]1CCC[C@@H](C)C1)cc2=O ZINC000249734561 1291694367 /nfs/dbraw/zinc/69/43/67/1291694367.db2.gz VODRHZUSWQXCOA-TZMCWYRMSA-N 1 0 346.431 2.622 20 10 EFCDRO CCC(CC)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000127222984 1291726539 /nfs/dbraw/zinc/72/65/39/1291726539.db2.gz YIPFAXSBNOBWFO-INIZCTEOSA-N 1 0 347.503 2.648 20 10 EFCDRO CCCCOC(=O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775261539 1291734965 /nfs/dbraw/zinc/73/49/65/1291734965.db2.gz VZQMZOHRZYMXIP-INIZCTEOSA-N 1 0 334.460 2.907 20 10 EFCDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000127345742 1291790988 /nfs/dbraw/zinc/79/09/88/1291790988.db2.gz CVVRPLQLGRPCEP-KRWDZBQOSA-N 1 0 335.467 2.578 20 10 EFCDRO Cn1c(C[NH2+]Cc2cc3c(cc2O)OCO3)nc2cccc(Cl)c21 ZINC000775318449 1291850156 /nfs/dbraw/zinc/85/01/56/1291850156.db2.gz IACIZZNXWQMSFK-UHFFFAOYSA-N 1 0 345.786 2.951 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(NS(C)(=O)=O)cc2)cc1 ZINC001233268357 1312889441 /nfs/dbraw/zinc/88/94/41/1312889441.db2.gz GUOYBTHYDKTTQE-UHFFFAOYSA-N 1 0 347.484 2.756 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@@H](C)O[C@@H](C)C2)c2ccccc2n1C ZINC001233270092 1312889562 /nfs/dbraw/zinc/88/95/62/1312889562.db2.gz AAFOUDDADIKWBX-OKILXGFUSA-N 1 0 330.428 2.964 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)c2ccccc2n1C ZINC001233270350 1312889813 /nfs/dbraw/zinc/88/98/13/1312889813.db2.gz KONSERQHPCDQFF-JLTOFOAXSA-N 1 0 344.455 2.948 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@@](C)(CO)C2)c2ccccc2n1C ZINC001233270431 1312889856 /nfs/dbraw/zinc/88/98/56/1312889856.db2.gz NMDKQNZSJRLRKI-LJQANCHMSA-N 1 0 330.428 2.559 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@H](CO)C2)c2ccccc2n1C ZINC001233270271 1312889918 /nfs/dbraw/zinc/88/99/18/1312889918.db2.gz HMWOHPIDCQDFQC-AWEZNQCLSA-N 1 0 330.428 2.559 20 10 EFCDRO CCOC(=O)c1c(CN2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2n1C ZINC001233272233 1312890215 /nfs/dbraw/zinc/89/02/15/1312890215.db2.gz CSAVPLATQHHCHU-OAHLLOKOSA-N 1 0 341.455 2.635 20 10 EFCDRO CCOC(=O)c1c(C[NH+]2CCC(OC)CC2)c2ccccc2n1C ZINC001233270691 1312890378 /nfs/dbraw/zinc/89/03/78/1312890378.db2.gz WUKMHICJJXWPKV-UHFFFAOYSA-N 1 0 330.428 2.966 20 10 EFCDRO CCOC(=O)c1c(C[N@H+](C)[C@H]2CCCOC2)c2ccccc2n1C ZINC001233273719 1312890719 /nfs/dbraw/zinc/89/07/19/1312890719.db2.gz PBDJSMITAJFVTJ-AWEZNQCLSA-N 1 0 330.428 2.966 20 10 EFCDRO CCOC(=O)c1c(CN2CC[N@H+](CC)[C@H](C)C2)c2ccccc2n1C ZINC001233273456 1312890998 /nfs/dbraw/zinc/89/09/98/1312890998.db2.gz CSQJKCKAYBEKAV-OAHLLOKOSA-N 1 0 343.471 2.881 20 10 EFCDRO CCOC(=O)c1c(CN2CC[NH+]3CCC2CC3)c2ccccc2n1C ZINC001233272947 1312891289 /nfs/dbraw/zinc/89/12/89/1312891289.db2.gz IBHZCNPMOCPGHG-UHFFFAOYSA-N 1 0 341.455 2.635 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c2ccccc2n1C ZINC001233272863 1312891467 /nfs/dbraw/zinc/89/14/67/1312891467.db2.gz FGNBJVRBJPVWHD-KSSFIOAISA-N 1 0 342.439 2.966 20 10 EFCDRO CSC1CC[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000879096498 1291965099 /nfs/dbraw/zinc/96/50/99/1291965099.db2.gz UXHBCJZQNRSBPN-UHFFFAOYSA-N 1 0 335.517 2.538 20 10 EFCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCC3(CC2)CC(=O)NC(=O)C3)c1 ZINC001233286852 1312895225 /nfs/dbraw/zinc/89/52/25/1312895225.db2.gz LRHMKPROLIHHKR-UHFFFAOYSA-N 1 0 344.455 2.709 20 10 EFCDRO CC(C)(C)c1ccc(O)c(CN2CC[NH+](C3CCOCC3)CC2)c1 ZINC001233286562 1312895374 /nfs/dbraw/zinc/89/53/74/1312895374.db2.gz ZAGKXBPSFPLEHF-UHFFFAOYSA-N 1 0 332.488 2.986 20 10 EFCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)c1 ZINC001233284395 1312895731 /nfs/dbraw/zinc/89/57/31/1312895731.db2.gz SRKFIBZEEJQGNW-BBRMVZONSA-N 1 0 347.377 2.550 20 10 EFCDRO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286645 1312895787 /nfs/dbraw/zinc/89/57/87/1312895787.db2.gz CVSQIRMJBLMMGJ-MRXNPFEDSA-N 1 0 333.476 2.925 20 10 EFCDRO COc1cc(Cl)cc(C[NH+]2CCC3(CCCNC3=O)CC2)c1O ZINC001233290131 1312896104 /nfs/dbraw/zinc/89/61/04/1312896104.db2.gz LCVSMPKKKFZTLT-UHFFFAOYSA-N 1 0 338.835 2.546 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCCc2ccc(F)cc2)c1 ZINC000775376344 1292124061 /nfs/dbraw/zinc/12/40/61/1292124061.db2.gz UGWICUKFIJFUFH-CYBMUJFWSA-N 1 0 346.402 2.549 20 10 EFCDRO CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2c(O)ccc(F)c2F)CC1 ZINC001233335331 1312906341 /nfs/dbraw/zinc/90/63/41/1312906341.db2.gz QNQMJQITJTYWFN-AWEZNQCLSA-N 1 0 340.414 2.746 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)NCCCOC1CCCCC1)c1ccccc1O ZINC000879648393 1292217557 /nfs/dbraw/zinc/21/75/57/1292217557.db2.gz MSUHWNWZMKFMSU-OAHLLOKOSA-N 1 0 334.460 2.898 20 10 EFCDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1O ZINC000879649290 1292218178 /nfs/dbraw/zinc/21/81/78/1292218178.db2.gz PUHRUTKMNUBGQO-GFCCVEGCSA-N 1 0 328.368 2.800 20 10 EFCDRO COc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879648724 1292218440 /nfs/dbraw/zinc/21/84/40/1292218440.db2.gz AUUFCQZLDDEGIZ-ZIAGYGMSSA-N 1 0 328.412 2.756 20 10 EFCDRO CC(C)Cc1nnc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)s1 ZINC000879649399 1292218719 /nfs/dbraw/zinc/21/87/19/1292218719.db2.gz QPQYQPORVMSOPP-LLVKDONJSA-N 1 0 334.445 2.732 20 10 EFCDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)cc1OC ZINC000879648525 1292218762 /nfs/dbraw/zinc/21/87/62/1292218762.db2.gz SGVSMQQOSYAOMP-GFCCVEGCSA-N 1 0 330.384 2.699 20 10 EFCDRO Cc1cccc(OCCNC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879648925 1292218807 /nfs/dbraw/zinc/21/88/07/1292218807.db2.gz GLDJPNOYZORGIN-CVEARBPZSA-N 1 0 342.439 2.935 20 10 EFCDRO COc1cccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879648876 1292218914 /nfs/dbraw/zinc/21/89/14/1292218914.db2.gz FOIIOTPGOCAGLO-CQSZACIVSA-N 1 0 328.412 2.710 20 10 EFCDRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879649979 1292219770 /nfs/dbraw/zinc/21/97/70/1292219770.db2.gz WIVWAWLCASNIPW-CJNGLKHVSA-N 1 0 329.396 2.685 20 10 EFCDRO C[C@H](CO)C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000826139890 1292322402 /nfs/dbraw/zinc/32/24/02/1292322402.db2.gz RJWLHCJGKXKVOU-LLVKDONJSA-N 1 0 328.250 2.995 20 10 EFCDRO CC[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1O ZINC000775414021 1292322963 /nfs/dbraw/zinc/32/29/63/1292322963.db2.gz KQWXKQQEVCADOF-HNNXBMFYSA-N 1 0 342.395 2.843 20 10 EFCDRO Cc1cc(CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)ccc1N(C)C ZINC000880206264 1292414032 /nfs/dbraw/zinc/41/40/32/1292414032.db2.gz FDBPDQSDYXSFDC-LJQANCHMSA-N 1 0 331.504 2.794 20 10 EFCDRO CC[NH+](CC)C[C@H]1CN(Cc2cccc(C(F)(F)F)c2O)CCO1 ZINC001233419780 1312929151 /nfs/dbraw/zinc/92/91/51/1312929151.db2.gz MCOQSOTYYAOVDY-AWEZNQCLSA-N 1 0 346.393 2.954 20 10 EFCDRO OC[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCC1(F)F ZINC001233452315 1312934622 /nfs/dbraw/zinc/93/46/22/1312934622.db2.gz RBAXIQGXUPHYDO-LLVKDONJSA-N 1 0 325.277 2.861 20 10 EFCDRO COCC[N@H+](Cc1ccc(C(F)(F)F)cc1O)C1CCN(C)CC1 ZINC001233454362 1312935006 /nfs/dbraw/zinc/93/50/06/1312935006.db2.gz RVOUXAMVNVUYOR-UHFFFAOYSA-N 1 0 346.393 2.954 20 10 EFCDRO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C(F)(F)F)cc1O ZINC001233453279 1312935365 /nfs/dbraw/zinc/93/53/65/1312935365.db2.gz BHOIEVSCBVLSJH-CHWSQXEVSA-N 1 0 328.334 2.606 20 10 EFCDRO CC(C)(O)CC[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233455458 1312935946 /nfs/dbraw/zinc/93/59/46/1312935946.db2.gz LUNDNHYPRSUKFA-UHFFFAOYSA-N 1 0 346.393 2.690 20 10 EFCDRO COC(=O)CC[C@@H]1COCCN1Cc1ccc(C(F)(F)F)cc1O ZINC001233456203 1312936088 /nfs/dbraw/zinc/93/60/88/1312936088.db2.gz OEUHZEBIALIJSR-CYBMUJFWSA-N 1 0 347.333 2.565 20 10 EFCDRO CCCCCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000128556048 1292586442 /nfs/dbraw/zinc/58/64/42/1292586442.db2.gz ACHGKAMROZWQNY-KRWDZBQOSA-N 1 0 347.503 2.650 20 10 EFCDRO COc1cccc(O[C@@H]2CCC[N@H+](Cc3cc(O)c(O)cc3O)C2)c1 ZINC001233484916 1312939572 /nfs/dbraw/zinc/93/95/72/1312939572.db2.gz CFDBJAILHAKTHI-MRXNPFEDSA-N 1 0 345.395 2.855 20 10 EFCDRO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485143 1312939686 /nfs/dbraw/zinc/93/96/86/1312939686.db2.gz KMMKUGFDZCLTSR-CQSZACIVSA-N 1 0 345.395 2.855 20 10 EFCDRO Oc1cc(O)c(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)cc1O ZINC001233484628 1312939694 /nfs/dbraw/zinc/93/96/94/1312939694.db2.gz RIXTVIUGACUQGH-WTANOLMUSA-N 1 0 333.428 2.831 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc(O)c(O)cc1O ZINC001233485446 1312939700 /nfs/dbraw/zinc/93/97/00/1312939700.db2.gz WHHRHOKFVJNBBG-AWEZNQCLSA-N 1 0 328.412 2.510 20 10 EFCDRO Cc1ccc(C2(O)CC[NH+](Cc3cc(O)c(O)cc3O)CC2)cc1 ZINC001233482278 1312939847 /nfs/dbraw/zinc/93/98/47/1312939847.db2.gz HXERLQBGRFGARV-UHFFFAOYSA-N 1 0 329.396 2.595 20 10 EFCDRO Oc1cc(O)c(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1O ZINC001233483561 1312939987 /nfs/dbraw/zinc/93/99/87/1312939987.db2.gz DPNMAMFPRFJPBK-UHFFFAOYSA-N 1 0 332.444 2.644 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CC3(CC(OCc4ccccc4)C3)C2)cc1O ZINC001233486292 1312940185 /nfs/dbraw/zinc/94/01/85/1312940185.db2.gz HHHHIQXNXYAABB-UHFFFAOYSA-N 1 0 341.407 2.985 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC3(CC2)OCCc2ccccc23)cc1O ZINC001233485616 1312940192 /nfs/dbraw/zinc/94/01/92/1312940192.db2.gz DBOSZINLDVHCKL-UHFFFAOYSA-N 1 0 341.407 2.867 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC(n3cnc4ccccc43)CC2)cc1O ZINC001233487400 1312940299 /nfs/dbraw/zinc/94/02/99/1312940299.db2.gz BWHKAWOLGAJFQY-UHFFFAOYSA-N 1 0 339.395 2.990 20 10 EFCDRO Cc1cccc(N2CC[NH+](Cc3cc(O)c(O)cc3O)CC2)c1C ZINC001233486131 1312940329 /nfs/dbraw/zinc/94/03/29/1312940329.db2.gz ZKHHTTRSVDPZNC-UHFFFAOYSA-N 1 0 328.412 2.742 20 10 EFCDRO C[C@H]1CN(Cc2cc(O)c(O)cc2O)CC[N@@H+]1Cc1ccccc1 ZINC001233486323 1312940626 /nfs/dbraw/zinc/94/06/26/1312940626.db2.gz IRXNCUHVULKVSZ-AWEZNQCLSA-N 1 0 328.412 2.510 20 10 EFCDRO Cc1cc(F)ccc1N1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233486965 1312940771 /nfs/dbraw/zinc/94/07/71/1312940771.db2.gz JXUVHZFBSGTFDI-UHFFFAOYSA-N 1 0 332.375 2.573 20 10 EFCDRO CN(Cc1cc(O)c(O)cc1O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001233487691 1312941079 /nfs/dbraw/zinc/94/10/79/1312941079.db2.gz OOEQRTGVZUDONS-QGZVFWFLSA-N 1 0 342.439 2.900 20 10 EFCDRO COC(=O)c1cccc([C@@H]2CCC[N@@H+]2Cc2cc(O)c(O)cc2O)c1 ZINC001233487496 1312941452 /nfs/dbraw/zinc/94/14/52/1312941452.db2.gz GBZAMAHJISOERA-HNNXBMFYSA-N 1 0 343.379 2.927 20 10 EFCDRO CC(C)NC(=O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796256959 1292650579 /nfs/dbraw/zinc/65/05/79/1292650579.db2.gz KOPCAXBIZIWDCR-UHFFFAOYSA-N 1 0 337.467 2.864 20 10 EFCDRO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796256931 1292650660 /nfs/dbraw/zinc/65/06/60/1292650660.db2.gz JWNCKDAYRONKFD-MRXNPFEDSA-N 1 0 337.467 2.864 20 10 EFCDRO CC[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccccc1O ZINC000775490820 1292702914 /nfs/dbraw/zinc/70/29/14/1292702914.db2.gz DOKMJYWSGCFSNI-QGZVFWFLSA-N 1 0 348.468 2.553 20 10 EFCDRO Oc1ccccc1C[NH+]1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001203552614 1312953919 /nfs/dbraw/zinc/95/39/19/1312953919.db2.gz OXCNQYLSLXNGQN-UHFFFAOYSA-N 1 0 339.439 2.659 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC001203551516 1312953974 /nfs/dbraw/zinc/95/39/74/1312953974.db2.gz GNVZJUVCMWJLCR-KVSKMBFKSA-N 1 0 326.396 2.598 20 10 EFCDRO Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4O)C[C@@H]3C2=O)c1 ZINC001203552105 1312954095 /nfs/dbraw/zinc/95/40/95/1312954095.db2.gz APUKRGGIWMSUSW-OALUTQOASA-N 1 0 336.435 2.791 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@]12CCN(c1cccnc1)C2=O ZINC001203551935 1312954248 /nfs/dbraw/zinc/95/42/48/1312954248.db2.gz UDXAJCBCAZORMY-FOIQADDNSA-N 1 0 337.423 2.662 20 10 EFCDRO O=C1Nc2ncccc2C2(CC[NH+](Cc3ccccc3O)CC2)O1 ZINC001203557019 1312955712 /nfs/dbraw/zinc/95/57/12/1312955712.db2.gz YDHJMWJKLXIJBY-UHFFFAOYSA-N 1 0 325.368 2.841 20 10 EFCDRO NC(=O)c1ccc(OC2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC001203558528 1312956014 /nfs/dbraw/zinc/95/60/14/1312956014.db2.gz LWRMNTIIWKBESY-UHFFFAOYSA-N 1 0 326.396 2.535 20 10 EFCDRO CCC[C@@H]([NH3+])c1cn(Cc2ccc(N3CCC(OC)CC3)cc2)nn1 ZINC000881379839 1292865998 /nfs/dbraw/zinc/86/59/98/1292865998.db2.gz AGSATTWGKVOMHK-GOSISDBHSA-N 1 0 343.475 2.742 20 10 EFCDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3c(F)ccc(O)c3O)C2)cc1 ZINC000881414862 1292882152 /nfs/dbraw/zinc/88/21/52/1292882152.db2.gz PFPIDDVUGUTMAO-CQSZACIVSA-N 1 0 344.386 2.550 20 10 EFCDRO CC[C@@H]1[N@H+](Cc2cccc(OC)c2O)CCC[C@]12CCC(=O)N2C ZINC001203591539 1312964850 /nfs/dbraw/zinc/96/48/50/1312964850.db2.gz IIAOOPPTJJWJFU-LPHOPBHVSA-N 1 0 332.444 2.766 20 10 EFCDRO COc1cccc(C[NH+]2CC(CN(C)C(=O)OC(C)(C)C)C2)c1O ZINC001203590236 1312965000 /nfs/dbraw/zinc/96/50/00/1312965000.db2.gz VCJNVWGRMJBKNC-UHFFFAOYSA-N 1 0 336.432 2.700 20 10 EFCDRO COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccc(OC)c1O)C2 ZINC001203591296 1312965208 /nfs/dbraw/zinc/96/52/08/1312965208.db2.gz GMCURBGPHQOYCH-DNVCBOLYSA-N 1 0 335.444 2.808 20 10 EFCDRO COc1cccc(C[N@@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c1O ZINC001203590346 1312965461 /nfs/dbraw/zinc/96/54/61/1312965461.db2.gz XNEUFXIVBHTBPJ-UKRRQHHQSA-N 1 0 348.443 2.842 20 10 EFCDRO COc1cccc(C[NH+]2CCC3(CCCCN3C(C)=O)CC2)c1O ZINC001203593447 1312965599 /nfs/dbraw/zinc/96/55/99/1312965599.db2.gz MUJXNVNHFWLYJN-UHFFFAOYSA-N 1 0 332.444 2.768 20 10 EFCDRO COc1cccc(C[NH+]2CCC3(CCN(CC4CC4)C3=O)CC2)c1O ZINC001203601786 1312967334 /nfs/dbraw/zinc/96/73/34/1312967334.db2.gz LBKUASFIXNVNNE-UHFFFAOYSA-N 1 0 344.455 2.625 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@H](Oc3cc(C)ncn3)C2)c1O ZINC001203601708 1312967365 /nfs/dbraw/zinc/96/73/65/1312967365.db2.gz HRGKDLBLYNSOIX-HNNXBMFYSA-N 1 0 329.400 2.543 20 10 EFCDRO COC(=O)[C@H]1C[N@H+](Cc2cccc(OC)c2O)C[C@H]1c1ccccc1 ZINC001203601807 1312967383 /nfs/dbraw/zinc/96/73/83/1312967383.db2.gz LRXNGNVSKFWIKS-IRXDYDNUSA-N 1 0 341.407 2.789 20 10 EFCDRO COc1cccc(C[N@H+]2CCC[C@H](Oc3ncccc3OC)C2)c1O ZINC001203601880 1312967823 /nfs/dbraw/zinc/96/78/23/1312967823.db2.gz PKWKCPLZBAYMHQ-HNNXBMFYSA-N 1 0 344.411 2.848 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c1O ZINC001203602394 1312967855 /nfs/dbraw/zinc/96/78/55/1312967855.db2.gz UEBWOMMTQFKABY-NHYWBVRUSA-N 1 0 333.350 2.926 20 10 EFCDRO CCOc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c1O ZINC001203603270 1312968277 /nfs/dbraw/zinc/96/82/77/1312968277.db2.gz MGTJXUZLJHAAOZ-FOLVSLTJSA-N 1 0 348.443 2.746 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@H](Oc3ncc(C)cn3)C2)c1O ZINC001203601903 1312968400 /nfs/dbraw/zinc/96/84/00/1312968400.db2.gz QECMZBUHJSYRHE-HNNXBMFYSA-N 1 0 329.400 2.543 20 10 EFCDRO CCOc1cccc(C[N@H+]2Cc3cnn(CC)c3[C@@H](COC)C2)c1O ZINC001203608134 1312969824 /nfs/dbraw/zinc/96/98/24/1312969824.db2.gz IYNXBYORNSKKSS-MRXNPFEDSA-N 1 0 345.443 2.753 20 10 EFCDRO CCOc1cccc(C[N@H+]2CCC[C@@]3(C[C@H](OCC)CO3)C2)c1O ZINC001203608684 1312969991 /nfs/dbraw/zinc/96/99/91/1312969991.db2.gz ZHOUAWKAOUMZMZ-QFBILLFUSA-N 1 0 335.444 2.951 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC(NC(=O)CC(C)C)CC2)c1O ZINC001203609221 1312970217 /nfs/dbraw/zinc/97/02/17/1312970217.db2.gz MHBJAPOTZIVZAA-UHFFFAOYSA-N 1 0 334.460 2.918 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@]3(CCN(CC)C3=O)C2)c1O ZINC001203610187 1312970291 /nfs/dbraw/zinc/97/02/91/1312970291.db2.gz YKQXTNFRSUCXRT-LJQANCHMSA-N 1 0 332.444 2.625 20 10 EFCDRO CCCCCCOCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851593 1293028938 /nfs/dbraw/zinc/02/89/38/1293028938.db2.gz NHJRTAHSWATBHF-UHFFFAOYSA-N 1 0 347.503 2.652 20 10 EFCDRO C[C@H]1CCC[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881851602 1293029496 /nfs/dbraw/zinc/02/94/96/1293029496.db2.gz XJGDEDSGDOGMND-WMZOPIPTSA-N 1 0 329.488 2.881 20 10 EFCDRO CC(C)CCO[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851416 1293029771 /nfs/dbraw/zinc/02/97/71/1293029771.db2.gz JVISXAIZBIDTDY-KRWDZBQOSA-N 1 0 347.503 2.506 20 10 EFCDRO Cc1c(F)cccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853219 1293030632 /nfs/dbraw/zinc/03/06/32/1293030632.db2.gz NTATVKGBGOHHMO-UHFFFAOYSA-N 1 0 341.430 2.816 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](Oc3nccc(C)n3)C2)c1O ZINC001203617872 1312972621 /nfs/dbraw/zinc/97/26/21/1312972621.db2.gz WKCBXHSLEMLEHE-MRXNPFEDSA-N 1 0 343.427 2.933 20 10 EFCDRO COc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c(O)c1 ZINC001203621229 1312972845 /nfs/dbraw/zinc/97/28/45/1312972845.db2.gz QBBJBYSVRFRFEI-UHFFFAOYSA-N 1 0 330.403 2.858 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)c(O)c1 ZINC001203622200 1312973107 /nfs/dbraw/zinc/97/31/07/1312973107.db2.gz TXTATPOMGYEJHY-HXUWFJFHSA-N 1 0 348.487 2.724 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203622174 1312973190 /nfs/dbraw/zinc/97/31/90/1312973190.db2.gz RSNMFTQSLZBFCO-GDBMZVCRSA-N 1 0 348.443 2.842 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](c4nc(C)no4)CC[C@H]32)c(O)c1 ZINC001203621371 1312973212 /nfs/dbraw/zinc/97/32/12/1312973212.db2.gz BXKSUFJWUOWMOY-DJIMGWMZSA-N 1 0 345.399 2.587 20 10 EFCDRO COc1ccc(CC[N@@H+](Cc2ccc(OC)cc2O)C[C@H](C)O)cc1 ZINC001203621284 1312973356 /nfs/dbraw/zinc/97/33/56/1312973356.db2.gz RHENOMAHDKJYOZ-HNNXBMFYSA-N 1 0 345.439 2.835 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c(O)c1 ZINC001203621625 1312973525 /nfs/dbraw/zinc/97/35/25/1312973525.db2.gz FFZYRVIBZPIVPI-BBRMVZONSA-N 1 0 348.443 2.842 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c(O)c1 ZINC001203623191 1312973757 /nfs/dbraw/zinc/97/37/57/1312973757.db2.gz LYULOWJIRRUJLC-RBUKOAKNSA-N 1 0 339.439 2.645 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2ccc(OC)cc2O)Cc2cn(CC)nc21 ZINC001203623379 1312974115 /nfs/dbraw/zinc/97/41/15/1312974115.db2.gz OSUUAQPWDVAINY-INIZCTEOSA-N 1 0 345.443 2.753 20 10 EFCDRO COc1ccc(C[NH+]2CC(CCNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203629260 1312975738 /nfs/dbraw/zinc/97/57/38/1312975738.db2.gz UTJKSPZUMIGLIZ-UHFFFAOYSA-N 1 0 336.432 2.747 20 10 EFCDRO COc1ccc(C[NH+]2CCC(Oc3ncncc3C)CC2)c(O)c1 ZINC001203635167 1312977408 /nfs/dbraw/zinc/97/74/08/1312977408.db2.gz MNLWILJRUHBIKA-UHFFFAOYSA-N 1 0 329.400 2.543 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)cc2O)Cc2ccccc21 ZINC001203634814 1312977603 /nfs/dbraw/zinc/97/76/03/1312977603.db2.gz WSPOUUCVXYYTRR-QGZVFWFLSA-N 1 0 327.380 2.673 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3OC)C2)c(O)c1 ZINC001203634962 1312977741 /nfs/dbraw/zinc/97/77/41/1312977741.db2.gz CTEWMEMOIDVJPM-MRXNPFEDSA-N 1 0 344.411 2.848 20 10 EFCDRO OC[C@]1(F)CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC001203636529 1312977761 /nfs/dbraw/zinc/97/77/61/1312977761.db2.gz WHQJKVJUCBTSNB-AWEZNQCLSA-N 1 0 332.213 2.841 20 10 EFCDRO COC(=O)C1(C)CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC001203642010 1312978940 /nfs/dbraw/zinc/97/89/40/1312978940.db2.gz AOWDYPODOGKKLW-UHFFFAOYSA-N 1 0 342.233 2.930 20 10 EFCDRO CCC(=O)NC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC001203642937 1312979200 /nfs/dbraw/zinc/97/92/00/1312979200.db2.gz QFCIRARVZMMBFS-UHFFFAOYSA-N 1 0 341.249 2.645 20 10 EFCDRO Oc1ccc(Br)cc1CN1CC([NH+]2CCC(F)CC2)C1 ZINC001203646024 1312979516 /nfs/dbraw/zinc/97/95/16/1312979516.db2.gz YTCOEGDHVQHOQS-UHFFFAOYSA-N 1 0 343.240 2.773 20 10 EFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)[C@H]1C ZINC001203645950 1312979547 /nfs/dbraw/zinc/97/95/47/1312979547.db2.gz WXVSCUGAEXUMRW-GXFFZTMASA-N 1 0 342.233 2.928 20 10 EFCDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cc(Br)ccc2O)C1 ZINC001203645403 1312979609 /nfs/dbraw/zinc/97/96/09/1312979609.db2.gz GUBAAXGKAPUVIZ-ZYHUDNBSSA-N 1 0 342.233 2.786 20 10 EFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)[C@@H]1C ZINC001203645952 1312979721 /nfs/dbraw/zinc/97/97/21/1312979721.db2.gz WXVSCUGAEXUMRW-MFKMUULPSA-N 1 0 342.233 2.928 20 10 EFCDRO C[N@H+](C1CC1)[C@@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC001203650376 1312980220 /nfs/dbraw/zinc/98/02/20/1312980220.db2.gz QLFAQUSLKTZVKT-CQSZACIVSA-N 1 0 325.250 2.823 20 10 EFCDRO CC(C)NC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203665645 1312984220 /nfs/dbraw/zinc/98/42/20/1312984220.db2.gz REOIKMHDYXKDAQ-AWEZNQCLSA-N 1 0 325.840 2.718 20 10 EFCDRO COc1ccnc(OC2CC[NH+](Cc3cc(Cl)ccc3O)CC2)n1 ZINC001203665232 1312984425 /nfs/dbraw/zinc/98/44/25/1312984425.db2.gz DDZNWNAALNIJII-UHFFFAOYSA-N 1 0 349.818 2.888 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1 ZINC001203670034 1312985373 /nfs/dbraw/zinc/98/53/73/1312985373.db2.gz KPNLFDXOTILVGZ-HOTGVXAUSA-N 1 0 348.443 2.985 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c1 ZINC001203670855 1312985608 /nfs/dbraw/zinc/98/56/08/1312985608.db2.gz GFAKJFXOHXPOMA-NOLJZWGESA-N 1 0 348.443 2.888 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC3(CC2)C(=O)Nc2ccccc23)c1 ZINC001203670706 1312985939 /nfs/dbraw/zinc/98/59/39/1312985939.db2.gz XLDFUPVEMOJIAS-UHFFFAOYSA-N 1 0 338.407 2.887 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)Cc2cn(CC)nc21 ZINC001203673282 1312986455 /nfs/dbraw/zinc/98/64/55/1312986455.db2.gz UDTQPTYUZGOHOS-INIZCTEOSA-N 1 0 345.443 2.753 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC001203673086 1312986558 /nfs/dbraw/zinc/98/65/58/1312986558.db2.gz MFYWSKDQSXQLHE-HXUWFJFHSA-N 1 0 344.455 2.625 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)c1 ZINC001203675500 1312986880 /nfs/dbraw/zinc/98/68/80/1312986880.db2.gz YZUBNNMQIZPGSS-BBRMVZONSA-N 1 0 344.436 2.557 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](Oc3ncccc3OC)C2)c1 ZINC001203681468 1312989031 /nfs/dbraw/zinc/98/90/31/1312989031.db2.gz YNCKAGBHTBWDBI-MRXNPFEDSA-N 1 0 344.411 2.848 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)c1 ZINC001203680807 1312989283 /nfs/dbraw/zinc/98/92/83/1312989283.db2.gz FDTLYNPJWLEEDE-INIZCTEOSA-N 1 0 338.407 2.631 20 10 EFCDRO CC(C)C(=O)N1CCN(Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233775817 1312989560 /nfs/dbraw/zinc/98/95/60/1312989560.db2.gz DANWSLGGPPFTOE-UHFFFAOYSA-N 1 0 346.349 2.591 20 10 EFCDRO COc1ccc(OC2CC[NH+](Cc3cc(OC)ccc3O)CC2)nc1 ZINC001203683834 1312989627 /nfs/dbraw/zinc/98/96/27/1312989627.db2.gz FLGKFLZDNKYOMC-UHFFFAOYSA-N 1 0 344.411 2.848 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](Oc3ncncc3C)C2)c1 ZINC001203684018 1312989665 /nfs/dbraw/zinc/98/96/65/1312989665.db2.gz JRYAUEHCHSHNRS-INIZCTEOSA-N 1 0 329.400 2.543 20 10 EFCDRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000130569818 1293402258 /nfs/dbraw/zinc/40/22/58/1293402258.db2.gz RMONKLLORIHQPI-YJBOKZPZSA-N 1 0 330.428 2.718 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]C2(C)CCOCC2)c1O ZINC000131108305 1293481557 /nfs/dbraw/zinc/48/15/57/1293481557.db2.gz COBPNPAUKNBPHL-UHFFFAOYSA-N 1 0 330.222 2.822 20 10 EFCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(N3CCNC3=O)cc2)cc1F ZINC000883281787 1293530487 /nfs/dbraw/zinc/53/04/87/1293530487.db2.gz YLDYCOVMYVNJQS-UHFFFAOYSA-N 1 0 342.418 2.711 20 10 EFCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(N3CCNC3=O)cc2)cc1C ZINC000883281520 1293530598 /nfs/dbraw/zinc/53/05/98/1293530598.db2.gz OSOUDEYVEXKJTF-UHFFFAOYSA-N 1 0 325.412 2.828 20 10 EFCDRO COCC[C@H](C)C(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001203790625 1313015607 /nfs/dbraw/zinc/01/56/07/1313015607.db2.gz XJUHTTJXHQAJRU-HNNXBMFYSA-N 1 0 348.487 2.757 20 10 EFCDRO CC(C)=CCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883642273 1293662375 /nfs/dbraw/zinc/66/23/75/1293662375.db2.gz HUACKVIZIQDKSI-UHFFFAOYSA-N 1 0 330.476 2.594 20 10 EFCDRO CS(=O)(=O)N(c1ccc(N)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC001203816611 1313023119 /nfs/dbraw/zinc/02/31/19/1313023119.db2.gz GLGRFFZOZUVONK-UHFFFAOYSA-N 1 0 345.468 2.962 20 10 EFCDRO Cc1cccc(C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000775644648 1293851998 /nfs/dbraw/zinc/85/19/98/1293851998.db2.gz QFTWHQOYMCUMCI-CYBMUJFWSA-N 1 0 334.441 2.541 20 10 EFCDRO CC[N@H+](Cc1ccc(O)c(O)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203880467 1313040042 /nfs/dbraw/zinc/04/00/42/1313040042.db2.gz SRZCFHGQVOFASS-CQSZACIVSA-N 1 0 336.432 2.929 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@H]21 ZINC001203874534 1313037996 /nfs/dbraw/zinc/03/79/96/1313037996.db2.gz AHOGMFUAJXWCDL-UONOGXRCSA-N 1 0 334.416 2.539 20 10 EFCDRO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203875099 1313038447 /nfs/dbraw/zinc/03/84/47/1313038447.db2.gz HGCPYIFNHSSVHC-UHFFFAOYSA-N 1 0 348.443 2.931 20 10 EFCDRO Oc1ccc(C[N@@H+]2CCc3ncnc(-c4ccoc4)c3CC2)cc1O ZINC001203876371 1313039034 /nfs/dbraw/zinc/03/90/34/1313039034.db2.gz BZCISTKIXDWVMJ-UHFFFAOYSA-N 1 0 337.379 2.749 20 10 EFCDRO Oc1ccc(CN2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1O ZINC001203877353 1313039472 /nfs/dbraw/zinc/03/94/72/1313039472.db2.gz DUVIRJIZKSNNHW-HUUCEWRRSA-N 1 0 330.453 2.723 20 10 EFCDRO NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203879284 1313039884 /nfs/dbraw/zinc/03/98/84/1313039884.db2.gz HUJWBDFGMUMDQA-LPHOPBHVSA-N 1 0 340.423 2.721 20 10 EFCDRO Oc1ccc(CN2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)cc1O ZINC001203878400 1313039936 /nfs/dbraw/zinc/03/99/36/1313039936.db2.gz GFULBVRMAIVXJA-IYBDPMFKSA-N 1 0 328.412 2.645 20 10 EFCDRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203878081 1313040300 /nfs/dbraw/zinc/04/03/00/1313040300.db2.gz ATKGLRIWTJYXIW-CQSZACIVSA-N 1 0 336.432 2.835 20 10 EFCDRO O=C1OC2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)c2ccccc21 ZINC001203882682 1313040640 /nfs/dbraw/zinc/04/06/40/1313040640.db2.gz QJNMTRJRPGZTHH-UHFFFAOYSA-N 1 0 325.364 2.760 20 10 EFCDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@H]12 ZINC001203883641 1313040768 /nfs/dbraw/zinc/04/07/68/1313040768.db2.gz LDXROIWQYJCUAU-QLFBSQMISA-N 1 0 348.443 2.833 20 10 EFCDRO COc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(O)c(O)c3)C2)n1 ZINC001203883376 1313040862 /nfs/dbraw/zinc/04/08/62/1313040862.db2.gz JHODOONTEJBLRS-CQSZACIVSA-N 1 0 330.384 2.545 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)cc1 ZINC001203932129 1313049565 /nfs/dbraw/zinc/04/95/65/1313049565.db2.gz SQVGMSCOIYKYDX-OAQYLSRUSA-N 1 0 341.499 2.977 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)C(=O)NC[C@@H]3c2ccccc2)cc1 ZINC001203932031 1313050053 /nfs/dbraw/zinc/05/00/53/1313050053.db2.gz OVELEOHGDSBTGG-IRLDBZIGSA-N 1 0 349.478 2.858 20 10 EFCDRO CN(C)c1ccc(C[NH+]2C[C@@H]3CN(C(=O)c4ccco4)C[C@H]3C2)cc1 ZINC001203932253 1313050060 /nfs/dbraw/zinc/05/00/60/1313050060.db2.gz XDGBKDJXRCLKCO-IAGOWNOFSA-N 1 0 339.439 2.550 20 10 EFCDRO CN(C)c1ccc(C[NH+]2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001203930662 1313050239 /nfs/dbraw/zinc/05/02/39/1313050239.db2.gz CBCOZKWQVHVWGH-PMACEKPBSA-N 1 0 336.483 2.711 20 10 EFCDRO CCN(CC)C(=O)NC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC001203936261 1313051252 /nfs/dbraw/zinc/05/12/52/1313051252.db2.gz FVEVXXUHJKCICM-UHFFFAOYSA-N 1 0 332.492 2.768 20 10 EFCDRO COc1ccnc(OC2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC001203936823 1313051338 /nfs/dbraw/zinc/05/13/38/1313051338.db2.gz ONSAQQBXQDUEAK-UHFFFAOYSA-N 1 0 342.443 2.595 20 10 EFCDRO CCN(CC)c1ccc(CN(CCC[NH+](C)C)CCC(=O)OC)cc1 ZINC001203939971 1313051784 /nfs/dbraw/zinc/05/17/84/1313051784.db2.gz YWAFEEQMGCBWOD-UHFFFAOYSA-N 1 0 349.519 2.850 20 10 EFCDRO COc1cc(C)nc(O[C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203936832 1313051862 /nfs/dbraw/zinc/05/18/62/1313051862.db2.gz OXIHDSUMJNUFJL-QGZVFWFLSA-N 1 0 342.443 2.513 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)c3cccnc3)CC2)cc1 ZINC001203936631 1313051989 /nfs/dbraw/zinc/05/19/89/1313051989.db2.gz ILWCANYSSHTTDM-UHFFFAOYSA-N 1 0 338.455 2.542 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC001203936653 1313051997 /nfs/dbraw/zinc/05/19/97/1313051997.db2.gz IYSWFAPKULONLT-DOTOQJQBSA-N 1 0 331.460 2.804 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CC3(C2)CCOC[C@@H]3C(=O)OC)cc1 ZINC001203942855 1313052204 /nfs/dbraw/zinc/05/22/04/1313052204.db2.gz VQVKJWYGRQMQGF-GOSISDBHSA-N 1 0 346.471 2.544 20 10 EFCDRO CCN(CC)c1ccc(CN2CCO[C@H](C[NH+]3CCCC3)C2)cc1 ZINC001203946538 1313052711 /nfs/dbraw/zinc/05/27/11/1313052711.db2.gz UYBYXQKGRZMFSA-HXUWFJFHSA-N 1 0 331.504 2.829 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)cc1 ZINC001203945832 1313052859 /nfs/dbraw/zinc/05/28/59/1313052859.db2.gz OKDKYHCBEDHSHW-PKOBYXMFSA-N 1 0 329.488 2.976 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)CCC(=O)OC(C)(C)C)cc1OC ZINC000775725912 1294280347 /nfs/dbraw/zinc/28/03/47/1294280347.db2.gz UWUFFMSGWMIVAW-UHFFFAOYSA-N 1 0 325.405 2.573 20 10 EFCDRO [NH3+]C[C@H]1CN(Cc2cccc(OC(F)(F)F)c2O)CCC1(F)F ZINC001205788690 1294377395 /nfs/dbraw/zinc/37/73/95/1294377395.db2.gz PTTVFBUVIRPODD-JTQLQIEISA-N 1 0 340.292 2.707 20 10 EFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000303485818 1294514407 /nfs/dbraw/zinc/51/44/07/1294514407.db2.gz QYXGEJATKMTCDI-SFHVURJKSA-N 1 0 344.503 2.743 20 10 EFCDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796375581 1294591004 /nfs/dbraw/zinc/59/10/04/1294591004.db2.gz LYDNKGXOAOAZRK-HRAATJIYSA-N 1 0 349.478 2.864 20 10 EFCDRO c1csc(SCCC[NH2+][C@H]2CCOC3(CCOCC3)C2)n1 ZINC000885992113 1294609941 /nfs/dbraw/zinc/60/99/41/1294609941.db2.gz APAPJJKZYDMNAQ-ZDUSSCGKSA-N 1 0 328.503 2.943 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)CCN2CCOCC2)c2ccccc21 ZINC001204232951 1313105364 /nfs/dbraw/zinc/10/53/64/1313105364.db2.gz LZRDGRNPACCJDC-UHFFFAOYSA-N 1 0 327.472 2.670 20 10 EFCDRO CN(C)c1ccc(CN2CC[C@@]3(CC[N@H+](CCCCF)C3)C2=O)cc1 ZINC001273757672 1294837645 /nfs/dbraw/zinc/83/76/45/1294837645.db2.gz FZDWCJWYYZUNGB-HXUWFJFHSA-N 1 0 347.478 2.927 20 10 EFCDRO COCCN1CC[NH+](Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204236334 1313106143 /nfs/dbraw/zinc/10/61/43/1313106143.db2.gz UGKRKZLMOKPXLZ-UHFFFAOYSA-N 1 0 327.472 2.670 20 10 EFCDRO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204240415 1313106567 /nfs/dbraw/zinc/10/65/67/1313106567.db2.gz RYYACSQKZXVLMI-KRWDZBQOSA-N 1 0 325.456 2.958 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c2ccccc21 ZINC001204242928 1313106833 /nfs/dbraw/zinc/10/68/33/1313106833.db2.gz UFIJGTIACDCTGA-SFHVURJKSA-N 1 0 339.483 2.812 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)c2ccccc21 ZINC001204240099 1313106935 /nfs/dbraw/zinc/10/69/35/1313106935.db2.gz IBLXRMZTWGFVML-MRXNPFEDSA-N 1 0 346.496 2.915 20 10 EFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3cccc(F)c3)cc2)CC1 ZINC000886325649 1294856091 /nfs/dbraw/zinc/85/60/91/1294856091.db2.gz MUOLCLPVXVZDIJ-UHFFFAOYSA-N 1 0 341.430 2.817 20 10 EFCDRO Oc1ccc(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)c(O)c1 ZINC001204272483 1313112498 /nfs/dbraw/zinc/11/24/98/1313112498.db2.gz BEDPQOKZCXMZPX-QGZVFWFLSA-N 1 0 333.428 2.648 20 10 EFCDRO Oc1ccc(C[N@@H+]2CCc3ncnc(-c4ccoc4)c3CC2)c(O)c1 ZINC001204274197 1313113271 /nfs/dbraw/zinc/11/32/71/1313113271.db2.gz LFEIBNNBWVSBID-UHFFFAOYSA-N 1 0 337.379 2.749 20 10 EFCDRO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1Cc1ccc(O)cc1O ZINC001204273431 1313113328 /nfs/dbraw/zinc/11/33/28/1313113328.db2.gz PMSPFRPFAQDCEX-OLZOCXBDSA-N 1 0 336.432 2.928 20 10 EFCDRO Oc1ccc(C[NH+]2C[C@H]3CN(Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001204273612 1313113514 /nfs/dbraw/zinc/11/35/14/1313113514.db2.gz SCTHFJHYNARRAZ-GJZGRUSLSA-N 1 0 330.453 2.723 20 10 EFCDRO O=C1N(c2ccsc2)CC[C@@]12CC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204273725 1313113522 /nfs/dbraw/zinc/11/35/22/1313113522.db2.gz SRTISWBPHLJFOY-GOSISDBHSA-N 1 0 344.436 2.788 20 10 EFCDRO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204276801 1313114180 /nfs/dbraw/zinc/11/41/80/1313114180.db2.gz RSLXOMDJQNIJPU-ZDUSSCGKSA-N 1 0 336.432 2.929 20 10 EFCDRO C[N@H+](Cc1ccc(O)cc1O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001204275868 1313114336 /nfs/dbraw/zinc/11/43/36/1313114336.db2.gz DCBPVXKMZIZKAP-CQSZACIVSA-N 1 0 336.432 2.929 20 10 EFCDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(O)cc2O)C[C@H]2CCCC[C@@H]12 ZINC001204277013 1313114467 /nfs/dbraw/zinc/11/44/67/1313114467.db2.gz VWDQYTHENAYNBD-XYPHTWIQSA-N 1 0 333.428 2.899 20 10 EFCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000775835412 1294964933 /nfs/dbraw/zinc/96/49/33/1294964933.db2.gz YJXUAHROFRKXJK-AWEZNQCLSA-N 1 0 329.419 2.859 20 10 EFCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(O)cc2O)[C@H]1c1ccccc1 ZINC001204281776 1313116011 /nfs/dbraw/zinc/11/60/11/1313116011.db2.gz IXYYTTDARDNYLD-WMZOPIPTSA-N 1 0 327.380 2.834 20 10 EFCDRO CCN(C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(OC)c(OC)c1 ZINC000903721452 1313116313 /nfs/dbraw/zinc/11/63/13/1313116313.db2.gz AOUAHLHIIBVOOJ-MRXNPFEDSA-N 1 0 334.460 2.689 20 10 EFCDRO CCN(C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(OC)c(OC)c1 ZINC000903721451 1313116326 /nfs/dbraw/zinc/11/63/26/1313116326.db2.gz AOUAHLHIIBVOOJ-INIZCTEOSA-N 1 0 334.460 2.689 20 10 EFCDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204281133 1313116581 /nfs/dbraw/zinc/11/65/81/1313116581.db2.gz RESVLSSIPRTUIA-OCCSQVGLSA-N 1 0 336.432 2.833 20 10 EFCDRO O=C(N1CCCC1)C12CC(C1)C[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001204323667 1313122457 /nfs/dbraw/zinc/12/24/57/1313122457.db2.gz VFDIFDMBFPVGPH-UHFFFAOYSA-N 1 0 339.483 2.874 20 10 EFCDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204327254 1313123603 /nfs/dbraw/zinc/12/36/03/1313123603.db2.gz NIDGSTLNSIBIMN-GOSISDBHSA-N 1 0 344.455 2.631 20 10 EFCDRO COc1cc(Br)cc(C[NH+]2CCC3(COC3)CC2)c1O ZINC001204336741 1313125275 /nfs/dbraw/zinc/12/52/75/1313125275.db2.gz WEDNNPGFHKXKAB-UHFFFAOYSA-N 1 0 342.233 2.776 20 10 EFCDRO CCOC(=O)CCC1CC[NH+](Cc2cc(O)c(O)c(OC)c2)CC1 ZINC001204344449 1313126319 /nfs/dbraw/zinc/12/63/19/1313126319.db2.gz HKWRAUWZAYCTMY-UHFFFAOYSA-N 1 0 337.416 2.662 20 10 EFCDRO C[C@H]([NH2+][C@@H](CO)C[C@H]1CCCO1)c1cc(Br)ccc1O ZINC000886669884 1295097403 /nfs/dbraw/zinc/09/74/03/1295097403.db2.gz GHTAEZFWYHVTCK-CYZMBNFOSA-N 1 0 344.249 2.735 20 10 EFCDRO COc1cc(CN2CC[NH+](CCc3cccs3)CC2)cc(O)c1O ZINC001204344852 1313126677 /nfs/dbraw/zinc/12/66/77/1313126677.db2.gz JSMIAMBQJMLLOY-UHFFFAOYSA-N 1 0 348.468 2.528 20 10 EFCDRO COc1cc(C[NH+](CCOC(C)C)CCOC(C)C)cc(O)c1O ZINC001204345427 1313126685 /nfs/dbraw/zinc/12/66/85/1313126685.db2.gz RXLCECFWXKDSCH-UHFFFAOYSA-N 1 0 341.448 2.758 20 10 EFCDRO COc1cc(C[NH+]2CCC(Cc3ccncc3)CC2)cc(O)c1O ZINC001204349491 1313127030 /nfs/dbraw/zinc/12/70/30/1313127030.db2.gz UDFWRXLLWUBOJI-UHFFFAOYSA-N 1 0 328.412 2.956 20 10 EFCDRO CC(=O)c1cc(O)c(O)cc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001234473894 1313135887 /nfs/dbraw/zinc/13/58/87/1313135887.db2.gz LSYLZVHYBXCAIY-HNNXBMFYSA-N 1 0 327.380 2.954 20 10 EFCDRO CCCCN1C(=O)C[C@@]2(CCC[N@H+](Cc3cccc(C)c3O)C2)C1=O ZINC001273769895 1295179239 /nfs/dbraw/zinc/17/92/39/1295179239.db2.gz NUHXDCYKFZSWDD-HXUWFJFHSA-N 1 0 344.455 2.842 20 10 EFCDRO CCOCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(C)c1O ZINC001273770244 1295198521 /nfs/dbraw/zinc/19/85/21/1295198521.db2.gz QUAOEZSTGRZECB-HXUWFJFHSA-N 1 0 346.471 2.694 20 10 EFCDRO COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(C)c1O ZINC001273770513 1295198605 /nfs/dbraw/zinc/19/86/05/1295198605.db2.gz SPUKWUWNOOOSRF-IAGOWNOFSA-N 1 0 346.471 2.691 20 10 EFCDRO Cc1cccc(C[NH+]2CCC3(CCN(CC(F)F)C3=O)CC2)c1O ZINC001273771004 1295219686 /nfs/dbraw/zinc/21/96/86/1295219686.db2.gz YUWYSFKXYRYFHE-UHFFFAOYSA-N 1 0 338.398 2.780 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCCN(C(C)=O)CC3)c2c1 ZINC001234518860 1313144075 /nfs/dbraw/zinc/14/40/75/1313144075.db2.gz PFBMYWAMIQQXPM-UHFFFAOYSA-N 1 0 328.412 2.608 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@@H]4C[C@@H](CO)C[C@@H]43)c2c1 ZINC001234526371 1313145949 /nfs/dbraw/zinc/14/59/49/1313145949.db2.gz UWQDRVBKNGTNEC-YHJVDBJQSA-N 1 0 343.423 2.526 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@@H]4C[C@@H](CO)C[C@H]43)c2c1 ZINC001234526369 1313146035 /nfs/dbraw/zinc/14/60/35/1313146035.db2.gz UWQDRVBKNGTNEC-CYFNAFFESA-N 1 0 343.423 2.526 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H](n4cncn4)C3)c2c1 ZINC001234552588 1313155143 /nfs/dbraw/zinc/15/51/43/1313155143.db2.gz AYGYXDBPGSEFNX-OAHLLOKOSA-N 1 0 338.411 2.983 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H](n4cncn4)C3)c2c1 ZINC001234552587 1313155178 /nfs/dbraw/zinc/15/51/78/1313155178.db2.gz AYGYXDBPGSEFNX-HNNXBMFYSA-N 1 0 338.411 2.983 20 10 EFCDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000775992518 1295623987 /nfs/dbraw/zinc/62/39/87/1295623987.db2.gz HAMFGLQIBJADNR-QAPCUYQASA-N 1 0 337.391 2.945 20 10 EFCDRO CCCCOC(=O)[C@H](C)Oc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001234657577 1313179007 /nfs/dbraw/zinc/17/90/07/1313179007.db2.gz FFDWDJVFRLUEFI-INIZCTEOSA-N 1 0 334.460 2.939 20 10 EFCDRO CC[NH+]1CCN(c2ccc(O[C@@H](C)CO[C@H](C)COC)cc2)CC1 ZINC001234661578 1313179732 /nfs/dbraw/zinc/17/97/32/1313179732.db2.gz VDHWBJXUCKQAMX-SJORKVTESA-N 1 0 336.476 2.647 20 10 EFCDRO CC[NH+]1CCN(c2ccc(O[C@@H](C)CO[C@@H](C)COC)cc2)CC1 ZINC001234661576 1313179848 /nfs/dbraw/zinc/17/98/48/1313179848.db2.gz VDHWBJXUCKQAMX-IRXDYDNUSA-N 1 0 336.476 2.647 20 10 EFCDRO CC[C@H](C)N(CC)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889660766 1295792929 /nfs/dbraw/zinc/79/29/29/1295792929.db2.gz HQDDHUZLJNZDRA-INIZCTEOSA-N 1 0 332.492 2.768 20 10 EFCDRO C[C@@H]1CCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1C ZINC000889669854 1295794611 /nfs/dbraw/zinc/79/46/11/1295794611.db2.gz UIWUUCHFJBTJRB-IAGOWNOFSA-N 1 0 344.503 2.768 20 10 EFCDRO CC[C@@H]1C[C@@H](C)CN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889669325 1295795011 /nfs/dbraw/zinc/79/50/11/1295795011.db2.gz GPJOYTJRCWANGZ-SJLPKXTDSA-N 1 0 344.503 2.768 20 10 EFCDRO CN(CC1CCCC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889669872 1295797130 /nfs/dbraw/zinc/79/71/30/1295797130.db2.gz FQEKEHLLUZIBOU-UHFFFAOYSA-N 1 0 344.503 2.770 20 10 EFCDRO CCCCOCC(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001199935863 1295825122 /nfs/dbraw/zinc/82/51/22/1295825122.db2.gz HICOBVGQRSOULM-UHFFFAOYSA-N 1 0 348.487 2.901 20 10 EFCDRO CC(C)(C)c1cc(O)c(CN2CCO[C@H](CC[NH3+])C2)cc1Cl ZINC001204757539 1313191604 /nfs/dbraw/zinc/19/16/04/1313191604.db2.gz ZKJQXIUNDFLSHA-CYBMUJFWSA-N 1 0 326.868 2.893 20 10 EFCDRO CN1CCC([N@H+](CCO)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000305161557 1295959369 /nfs/dbraw/zinc/95/93/69/1295959369.db2.gz BRYCIGWEQGVUBG-UHFFFAOYSA-N 1 0 331.504 2.565 20 10 EFCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)COc1cccc(F)c1 ZINC000776050996 1295960035 /nfs/dbraw/zinc/96/00/35/1295960035.db2.gz YUSILAKXNPHEQN-GFCCVEGCSA-N 1 0 325.767 2.714 20 10 EFCDRO CCCCN1C(=O)C[C@]2(CCC[N@H+](Cc3c(C)cccc3O)C2)C1=O ZINC001274301564 1296055625 /nfs/dbraw/zinc/05/56/25/1296055625.db2.gz QVHLBFATTVZPCQ-FQEVSTJZSA-N 1 0 344.455 2.842 20 10 EFCDRO Oc1c(C[NH+]2CCN([C@@H]3CCOC3)CC2)cccc1-c1ccccc1 ZINC001234990321 1313217888 /nfs/dbraw/zinc/21/78/88/1313217888.db2.gz GDJCQIIUCBJGRC-LJQANCHMSA-N 1 0 338.451 2.966 20 10 EFCDRO CN(C)C(=O)N1CC[NH+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234990521 1313218129 /nfs/dbraw/zinc/21/81/29/1313218129.db2.gz HOKQDOJYXRLXEF-UHFFFAOYSA-N 1 0 339.439 2.858 20 10 EFCDRO Oc1c(C[NH+]2CCN(c3ncncn3)CC2)cccc1-c1ccccc1 ZINC001234998922 1313219718 /nfs/dbraw/zinc/21/97/18/1313219718.db2.gz PSSNJEGXJJZHHC-UHFFFAOYSA-N 1 0 347.422 2.566 20 10 EFCDRO C[C@@]1(CO)C[N@H+](Cc2cccc(-c3ccccc3)c2O)CC[C@@H]1O ZINC001235001488 1313220403 /nfs/dbraw/zinc/22/04/03/1313220403.db2.gz NDOMOTGWTCMYDX-ICSRJNTNSA-N 1 0 327.424 2.624 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)c2ccon2)cc1C ZINC000959894268 1296202930 /nfs/dbraw/zinc/20/29/30/1296202930.db2.gz JMJJIGSODBACTH-INIZCTEOSA-N 1 0 343.427 2.776 20 10 EFCDRO CC[C@H](OC)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000959917883 1296236352 /nfs/dbraw/zinc/23/63/52/1296236352.db2.gz YHGDPFBECUXXEY-ROUUACIJSA-N 1 0 348.487 2.899 20 10 EFCDRO CCn1ccnc1CN1CC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC001275266972 1296246211 /nfs/dbraw/zinc/24/62/11/1296246211.db2.gz HLSVVMWTJRSTIU-UHFFFAOYSA-N 1 0 340.471 2.707 20 10 EFCDRO O=C(Nc1cccnc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3O)[C@@H]2C1 ZINC001275267425 1296246715 /nfs/dbraw/zinc/24/67/15/1296246715.db2.gz ODLKOHREEGIXLD-WMLDXEAASA-N 1 0 338.411 2.525 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[C@H]([NH3+])CC2)c2ccccc2n1C ZINC001205117151 1313235943 /nfs/dbraw/zinc/23/59/43/1313235943.db2.gz MBKRDCSWMKOPCC-AWEZNQCLSA-N 1 0 329.444 2.668 20 10 EFCDRO Cc1cc(Br)cc(CN2CCCCC23C[NH2+]C3)c1O ZINC001235101729 1313241779 /nfs/dbraw/zinc/24/17/79/1313241779.db2.gz JMPSXHWEQBHXRQ-UHFFFAOYSA-N 1 0 325.250 2.791 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CNCCO3)C2)c2ccccc21 ZINC001235114421 1313244545 /nfs/dbraw/zinc/24/45/45/1313244545.db2.gz LQTJCJWOXOPFSD-NRFANRHFSA-N 1 0 339.483 2.860 20 10 EFCDRO COc1cc(CN2CCC[C@](C)([NH3+])CC2)c(O)cc1Br ZINC001205289564 1313265046 /nfs/dbraw/zinc/26/50/46/1313265046.db2.gz ZBVHLOMAUNDQRP-HNNXBMFYSA-N 1 0 343.265 2.867 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(CN2CCO[C@H]3CC[NH2+]C[C@@H]32)cc1 ZINC001235211764 1313265817 /nfs/dbraw/zinc/26/58/17/1313265817.db2.gz HKNHWWLQVVWTLS-PMACEKPBSA-N 1 0 325.456 2.657 20 10 EFCDRO Cc1cc(CN2C[C@H]3CCC[NH2+][C@H]3C2)c(O)cc1Br ZINC001235215583 1313266041 /nfs/dbraw/zinc/26/60/41/1313266041.db2.gz PBWBDDMQUQAKSR-RISCZKNCSA-N 1 0 325.250 2.647 20 10 EFCDRO Cc1cc(CN2CCO[C@H]3C[NH2+]CC[C@@H]32)c(C)n1-c1ccccc1 ZINC001235241916 1313271837 /nfs/dbraw/zinc/27/18/37/1313271837.db2.gz UHMOHVLTMYKUMA-PMACEKPBSA-N 1 0 325.456 2.657 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c2ccccc2n1C ZINC001235245517 1313273561 /nfs/dbraw/zinc/27/35/61/1313273561.db2.gz QAKGMGAZHJEYFR-JLTOFOAXSA-N 1 0 341.455 2.668 20 10 EFCDRO COCCOCN1CC[C@]2(C1)CCC[N@H+](Cc1cccc(C)c1O)C2 ZINC001276080242 1296594371 /nfs/dbraw/zinc/59/43/71/1296594371.db2.gz LNUDWXNWOULYMU-HXUWFJFHSA-N 1 0 348.487 2.609 20 10 EFCDRO CCOC(=O)c1c(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c2ccccc2n1C ZINC001235265652 1313278805 /nfs/dbraw/zinc/27/88/05/1313278805.db2.gz CWSRXYWJAOGYFK-RHSMWYFYSA-N 1 0 341.455 2.539 20 10 EFCDRO COc1ccc(O)c(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)c1 ZINC000776174649 1296810217 /nfs/dbraw/zinc/81/02/17/1296810217.db2.gz PZKOUENLHNNQMY-UHFFFAOYSA-N 1 0 332.444 2.672 20 10 EFCDRO CCOc1ccc(C[NH2+][C@H]2COc3c(cccc3OC)C2)c(O)c1 ZINC000776173115 1296811856 /nfs/dbraw/zinc/81/18/56/1296811856.db2.gz YUMCMCOTFPFJLY-OAHLLOKOSA-N 1 0 329.396 2.893 20 10 EFCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000777564733 1296859290 /nfs/dbraw/zinc/85/92/90/1296859290.db2.gz CBDWKEQODSCEIB-LBPRGKRZSA-N 1 0 330.350 2.509 20 10 EFCDRO CN(C)c1ccc(CN2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c(Cl)c1 ZINC001235401449 1313312687 /nfs/dbraw/zinc/31/26/87/1313312687.db2.gz GQPWDPAYSFWQNH-DLBZAZTESA-N 1 0 325.859 2.930 20 10 EFCDRO CCCCN(CCCC)c1ccc(CN2CC[NH2+]C[C@H]2CO)c(O)c1 ZINC001235444873 1313323569 /nfs/dbraw/zinc/32/35/69/1313323569.db2.gz OZMMOBIXKOSRQB-IBGZPJMESA-N 1 0 349.519 2.565 20 10 EFCDRO CC(C)[C@@H]1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC[NH2+]1 ZINC001235470562 1313331310 /nfs/dbraw/zinc/33/13/10/1313331310.db2.gz BEFHHSLSYGSCFB-KRWDZBQOSA-N 1 0 337.895 2.606 20 10 EFCDRO CC(C)[C@@H]1CN(Cc2cc3c4c(c2O)CCCN4CCC3)CC[NH2+]1 ZINC001235470949 1313331559 /nfs/dbraw/zinc/33/15/59/1313331559.db2.gz KZRFFLSDCYUCTP-SFHVURJKSA-N 1 0 329.488 2.521 20 10 EFCDRO [NH3+]C[C@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)CCC1(F)F ZINC001205777243 1313353771 /nfs/dbraw/zinc/35/37/71/1313353771.db2.gz AWMWKZSKIGKAAD-KRWDZBQOSA-N 1 0 335.442 2.801 20 10 EFCDRO CC[N@H+](Cc1cc(Br)ccc1O)C(COC)COC ZINC000929756123 1297206058 /nfs/dbraw/zinc/20/60/58/1297206058.db2.gz VKUSFBMXJLQLMB-UHFFFAOYSA-N 1 0 332.238 2.638 20 10 EFCDRO CC(C)[NH+]1CCC2(CCN(Cc3ccc(N(C)C)cc3)C2=O)CC1 ZINC001273924328 1297208033 /nfs/dbraw/zinc/20/80/33/1297208033.db2.gz IBWQABKQHCGKKO-UHFFFAOYSA-N 1 0 329.488 2.976 20 10 EFCDRO [NH3+]C[C@H]1CN(Cc2c(O)cccc2OC(F)(F)F)CCC1(F)F ZINC001205788895 1313356254 /nfs/dbraw/zinc/35/62/54/1313356254.db2.gz SUEQLFGKSDKKDC-VIFPVBQESA-N 1 0 340.292 2.707 20 10 EFCDRO CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000776239385 1297226528 /nfs/dbraw/zinc/22/65/28/1297226528.db2.gz TUSBPBCNNWJQMH-HNNXBMFYSA-N 1 0 332.492 2.986 20 10 EFCDRO Cc1cc(CN2CCC(F)(F)[C@H](C[NH3+])C2)c(O)cc1Br ZINC001205796940 1313357810 /nfs/dbraw/zinc/35/78/10/1313357810.db2.gz VLJMMUDWIKGLQF-LLVKDONJSA-N 1 0 349.219 2.879 20 10 EFCDRO C[C@H]1CC[C@@H](C[NH3+])N(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001205842962 1313364455 /nfs/dbraw/zinc/36/44/55/1313364455.db2.gz QGDWDHLTKQZDPM-YOEHRIQHSA-N 1 0 337.895 2.736 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@H](C)CC[C@H]2C[NH3+])c2ccccc2n1C ZINC001205842588 1313364681 /nfs/dbraw/zinc/36/46/81/1313364681.db2.gz OFYOWBYCRQUPGJ-CABCVRRESA-N 1 0 343.471 2.914 20 10 EFCDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001205842959 1313364743 /nfs/dbraw/zinc/36/47/43/1313364743.db2.gz QGDWDHLTKQZDPM-RHSMWYFYSA-N 1 0 337.895 2.736 20 10 EFCDRO C[C@H]1CC[C@H](C[NH3+])N(Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001205856512 1313366827 /nfs/dbraw/zinc/36/68/27/1313366827.db2.gz WERVANLGOFPINB-WCQYABFASA-N 1 0 332.366 2.893 20 10 EFCDRO CC(C)(C)c1ccc(C[N@@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c(O)c1 ZINC001235682838 1313374448 /nfs/dbraw/zinc/37/44/48/1313374448.db2.gz QPELIOFHKCENQP-WMZOPIPTSA-N 1 0 342.483 2.990 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[C@@H](C[NH3+])[C@H]2C)c2ccccc2n1C ZINC001205912935 1313375305 /nfs/dbraw/zinc/37/53/05/1313375305.db2.gz FFEBWLRJVIPAKN-CABCVRRESA-N 1 0 343.471 2.914 20 10 EFCDRO CCN(CC)c1ccc(CN2C[C@H]([NH3+])CC(F)(F)C2)c(OC)c1 ZINC001206124035 1313407715 /nfs/dbraw/zinc/40/77/15/1313407715.db2.gz GKGPNRRTXGNPEC-CQSZACIVSA-N 1 0 327.419 2.710 20 10 EFCDRO c1ccc([C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCN2)cc1 ZINC001235852857 1313409791 /nfs/dbraw/zinc/40/97/91/1313409791.db2.gz HDEMYWYLGYUYME-NRFANRHFSA-N 1 0 337.467 2.670 20 10 EFCDRO Cc1cc(Br)cc(CN2CC[C@H]([NH3+])C(F)(F)C2)c1O ZINC001235915799 1313417332 /nfs/dbraw/zinc/41/73/32/1313417332.db2.gz UNPDRMXIEFEPSD-NSHDSACASA-N 1 0 335.192 2.631 20 10 EFCDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000187995816 1297807986 /nfs/dbraw/zinc/80/79/86/1297807986.db2.gz UILVBQDDZORDKX-MRXNPFEDSA-N 1 0 329.396 2.810 20 10 EFCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206304523 1313433159 /nfs/dbraw/zinc/43/31/59/1313433159.db2.gz MCMUGXSUCPGJIN-IBGZPJMESA-N 1 0 330.428 2.758 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1 ZINC001236060268 1313436041 /nfs/dbraw/zinc/43/60/41/1313436041.db2.gz OTMPDCKCMPABGG-AAEUAGOBSA-N 1 0 325.250 2.647 20 10 EFCDRO COc1cc(O)c(CN2CC[NH2+]C[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC001236126203 1313444182 /nfs/dbraw/zinc/44/41/82/1313444182.db2.gz SDJDBPPSOKLBML-KRWDZBQOSA-N 1 0 346.402 2.695 20 10 EFCDRO CCC[C@@H]1C[NH2+]CCN1Cc1cc(OC)c(Br)cc1O ZINC001236132736 1313445428 /nfs/dbraw/zinc/44/54/28/1313445428.db2.gz MQAIVOFMDLJJIW-GFCCVEGCSA-N 1 0 343.265 2.737 20 10 EFCDRO CCCC[C@@H]1CN(Cc2cc(O)c(Br)cc2O)CC[NH2+]1 ZINC001236141424 1313446198 /nfs/dbraw/zinc/44/61/98/1313446198.db2.gz JJBJPNWPJYSJDT-GFCCVEGCSA-N 1 0 343.265 2.824 20 10 EFCDRO C[NH+](C)CCCn1cc(-c2cc(N3CCc4ccccc43)ncn2)cn1 ZINC001236150551 1313447120 /nfs/dbraw/zinc/44/71/20/1313447120.db2.gz HWNSAWGIUNCJEZ-UHFFFAOYSA-N 1 0 348.454 2.986 20 10 EFCDRO CN(C)c1ccc(CN2CC(O)([C@H]3CCCC[NH2+]3)C2)c2ccccc21 ZINC001236162325 1313449183 /nfs/dbraw/zinc/44/91/83/1313449183.db2.gz DYOPUYJFADVJMW-HXUWFJFHSA-N 1 0 339.483 2.595 20 10 EFCDRO Cc1cc(CN2CC(O)([C@H]3CCCC[NH2+]3)C2)c(C)n1-c1ccccc1 ZINC001236164688 1313449929 /nfs/dbraw/zinc/44/99/29/1313449929.db2.gz YSSGGZDCDZQGRJ-HXUWFJFHSA-N 1 0 339.483 2.783 20 10 EFCDRO COc1ccc(Br)c(CN(C)[C@@]2(C)CCC[NH2+]C2)c1O ZINC001236204503 1313455048 /nfs/dbraw/zinc/45/50/48/1313455048.db2.gz AVVBHRVVDLUSTO-HNNXBMFYSA-N 1 0 343.265 2.737 20 10 EFCDRO COc1cccc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c1O ZINC000189617766 1298034103 /nfs/dbraw/zinc/03/41/03/1298034103.db2.gz MLZCDPUQWWXUGS-DOMZBBRYSA-N 1 0 333.350 2.974 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236238944 1313459687 /nfs/dbraw/zinc/45/96/87/1313459687.db2.gz FJKAVWPQWNWCBT-GOSISDBHSA-N 1 0 349.906 2.893 20 10 EFCDRO Oc1cccc(Br)c1CN(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236241570 1313460082 /nfs/dbraw/zinc/46/00/82/1313460082.db2.gz SYKADNAIZQQEBR-GFCCVEGCSA-N 1 0 325.250 2.871 20 10 EFCDRO Oc1ccc(CN(Cc2ccccc2F)[C@@H]2CCC[NH2+]C2)cc1O ZINC001236351979 1313472967 /nfs/dbraw/zinc/47/29/67/1313472967.db2.gz DTAHMCDYHQEWJG-MRXNPFEDSA-N 1 0 330.403 2.991 20 10 EFCDRO COc1ccc(N2CCN(C[C@H]([NH3+])Cc3ccccc3)CC2)c(C)c1 ZINC001236366883 1313474093 /nfs/dbraw/zinc/47/40/93/1313474093.db2.gz IHOANFSUAARODZ-LJQANCHMSA-N 1 0 339.483 2.696 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@H](C)[NH2+][C@@H](C)C2)c2ccccc2n1C ZINC001236425436 1313479355 /nfs/dbraw/zinc/47/93/55/1313479355.db2.gz VZALCYPJDMGEMU-KBPBESRZSA-N 1 0 329.444 2.537 20 10 EFCDRO CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001049918675 1313484148 /nfs/dbraw/zinc/48/41/48/1313484148.db2.gz SDZZITLOHJQVAS-CABCVRRESA-N 1 0 329.404 2.548 20 10 EFCDRO COc1cc(Br)cc(CN2CCCC[C@H](C[NH3+])C2)c1O ZINC001206615570 1313484586 /nfs/dbraw/zinc/48/45/86/1313484586.db2.gz JDKQCHFRZSRKFJ-LLVKDONJSA-N 1 0 343.265 2.724 20 10 EFCDRO CC(C)CN(Cc1ccc(N2CCOCC2)cc1F)[C@@H]1CCC[NH2+]C1 ZINC001236477522 1313486061 /nfs/dbraw/zinc/48/60/61/1313486061.db2.gz GRXSYHVVZZHHJV-LJQANCHMSA-N 1 0 349.494 2.872 20 10 EFCDRO COC(=O)c1c(CN(C(C)C)[C@@H]2CC[NH2+]C2)c2ccccc2n1C ZINC001236531425 1313488888 /nfs/dbraw/zinc/48/88/88/1313488888.db2.gz YRBGQWXEIFNASL-CQSZACIVSA-N 1 0 329.444 2.537 20 10 EFCDRO COC(=O)c1c(CN(C(C)C)[C@H]2CC[NH2+]C2)c2ccccc2n1C ZINC001236531423 1313488948 /nfs/dbraw/zinc/48/89/48/1313488948.db2.gz YRBGQWXEIFNASL-AWEZNQCLSA-N 1 0 329.444 2.537 20 10 EFCDRO CCn1c2ccccc2nc1N1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001236532944 1313489390 /nfs/dbraw/zinc/48/93/90/1313489390.db2.gz ISFVFUJDRDHUKP-UHFFFAOYSA-N 1 0 335.455 2.961 20 10 EFCDRO Cc1cc(Br)c([O-])c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC001236664912 1313505770 /nfs/dbraw/zinc/50/57/70/1313505770.db2.gz HHFGQBJECRYEOC-OCCSQVGLSA-N 1 0 339.277 2.847 20 10 EFCDRO COc1cc(Br)cc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)c1O ZINC000305748829 1298524705 /nfs/dbraw/zinc/52/47/05/1298524705.db2.gz WAFFPEDYKXSCPR-GXFFZTMASA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)c(O)cc1Br ZINC001236746558 1313520733 /nfs/dbraw/zinc/52/07/33/1313520733.db2.gz DSMJSGRFBSGLAD-GWCFXTLKSA-N 1 0 344.249 2.756 20 10 EFCDRO CC[NH+](CC)CCN(C)Cc1cc(OC)c(Br)cc1O ZINC001236744782 1313520828 /nfs/dbraw/zinc/52/08/28/1313520828.db2.gz FMHJNMXJXPYGQJ-UHFFFAOYSA-N 1 0 345.281 2.937 20 10 EFCDRO COc1cc(CN(C)CCC[NH+](C)C)c(O)cc1Br ZINC001236746480 1313520989 /nfs/dbraw/zinc/52/09/89/1313520989.db2.gz YAABBHMXVMMXRV-UHFFFAOYSA-N 1 0 331.254 2.547 20 10 EFCDRO COc1cc(C[NH+]2CCC(C)(O)CC2)c(O)cc1Br ZINC001236746489 1313521130 /nfs/dbraw/zinc/52/11/30/1313521130.db2.gz ZATYPTWGRHIDIM-UHFFFAOYSA-N 1 0 330.222 2.510 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc1OC ZINC001236751088 1313522256 /nfs/dbraw/zinc/52/22/56/1313522256.db2.gz AGVKCMXWXGNBPW-UHFFFAOYSA-N 1 0 345.395 2.769 20 10 EFCDRO COc1cc(CN2CC[C@@H](C(C)=O)C2)c(O)cc1Br ZINC001236752004 1313522340 /nfs/dbraw/zinc/52/23/40/1313522340.db2.gz RSJHJVCMKKLUTO-SNVBAGLBSA-N 1 0 328.206 2.574 20 10 EFCDRO COc1cc(O)c(CN(C)CC[N@H+](C)Cc2ccccc2)cc1OC ZINC001236754887 1313522965 /nfs/dbraw/zinc/52/29/65/1313522965.db2.gz VVCOJPMZNGHNCN-UHFFFAOYSA-N 1 0 344.455 2.973 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)C[C@H]2Cc3ccccc3O2)cc1OC ZINC001236756232 1313523037 /nfs/dbraw/zinc/52/30/37/1313523037.db2.gz JHQVAUVIJJCWQN-OAHLLOKOSA-N 1 0 329.396 2.845 20 10 EFCDRO COc1cc(CN2CC[N@H+](C)C(C)(C)C2)c(O)cc1Br ZINC001236757673 1313523056 /nfs/dbraw/zinc/52/30/56/1313523056.db2.gz WHIGXGWQHNJXNN-UHFFFAOYSA-N 1 0 343.265 2.689 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c(O)cc1Br ZINC001236756392 1313523260 /nfs/dbraw/zinc/52/32/60/1313523260.db2.gz JTCVSRRAKWXHML-JQWIXIFHSA-N 1 0 342.233 2.632 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c(O)cc1Br ZINC001236756076 1313523286 /nfs/dbraw/zinc/52/32/86/1313523286.db2.gz IJYCGBVKMGDLMU-HZMBPMFUSA-N 1 0 342.233 2.774 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](O)C[C@H]2C)c(O)cc1Br ZINC001236757732 1313523317 /nfs/dbraw/zinc/52/33/17/1313523317.db2.gz WUEWSONEXPSTTP-MWLCHTKSSA-N 1 0 330.222 2.509 20 10 EFCDRO CC(C)O[C@@H]1CC[N@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236762671 1313524505 /nfs/dbraw/zinc/52/45/05/1313524505.db2.gz QBFNPJVIFSVBOV-LLVKDONJSA-N 1 0 330.222 2.860 20 10 EFCDRO Oc1cc(C[N@@H+]2CCC[C@](O)(CF)CC2)c(O)cc1Br ZINC001236766993 1313525578 /nfs/dbraw/zinc/52/55/78/1313525578.db2.gz KHFGLICWLZWJFZ-CQSZACIVSA-N 1 0 348.212 2.547 20 10 EFCDRO CC(C)(C)[NH+]1CCN(Cc2cc(O)c(Br)cc2O)CC1 ZINC001236771279 1313526204 /nfs/dbraw/zinc/52/62/04/1313526204.db2.gz OMLNXQUSBLNCLH-UHFFFAOYSA-N 1 0 343.265 2.776 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCN(C)c3nc(C)ccc3C2)c(O)c1 ZINC001236806805 1313533508 /nfs/dbraw/zinc/53/35/08/1313533508.db2.gz ALIGMRCBWPTXOB-UHFFFAOYSA-N 1 0 327.428 2.865 20 10 EFCDRO CCC(=O)N[C@@H]1CCCN(Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236806116 1313533535 /nfs/dbraw/zinc/53/35/35/1313533535.db2.gz MTBXDBAUEJFZEA-LLVKDONJSA-N 1 0 326.824 2.545 20 10 EFCDRO CCc1ccc(C[NH+]2CCC(OCC(=O)N3CCCC3)CC2)c(O)c1 ZINC001236787142 1313528669 /nfs/dbraw/zinc/52/86/69/1313528669.db2.gz GXHDVWNXELRPQC-UHFFFAOYSA-N 1 0 346.471 2.558 20 10 EFCDRO CCC1=NC2(CC[NH+](Cc3ccc(CC)cc3O)CC2)C(=O)N1C ZINC001236789345 1313529249 /nfs/dbraw/zinc/52/92/49/1313529249.db2.gz VTVHMPUNCOHLOG-UHFFFAOYSA-N 1 0 329.444 2.570 20 10 EFCDRO CCc1ccc(C[NH+]2CCN(c3cc(OC)ccn3)CC2)c(O)c1 ZINC001236789370 1313529577 /nfs/dbraw/zinc/52/95/77/1313529577.db2.gz VXZBSGPVOVYZRV-UHFFFAOYSA-N 1 0 327.428 2.680 20 10 EFCDRO COC(=O)CC1CC[NH+](Cc2c(O)cc(OC)cc2Cl)CC1 ZINC001236794923 1313530184 /nfs/dbraw/zinc/53/01/84/1313530184.db2.gz GCVRYLUVJYXLKN-UHFFFAOYSA-N 1 0 327.808 2.829 20 10 EFCDRO CCc1ccc(C[N@@H+]2CCC[C@H](OCC(=O)NC(C)(C)C)C2)c(O)c1 ZINC001236791759 1313530252 /nfs/dbraw/zinc/53/02/52/1313530252.db2.gz KEZYREOWZXRJMZ-KRWDZBQOSA-N 1 0 348.487 2.850 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(NC(=O)C3CC3)CC2)c(Cl)c1 ZINC001236800233 1313531017 /nfs/dbraw/zinc/53/10/17/1313531017.db2.gz UOSHCPIMAXTGFA-UHFFFAOYSA-N 1 0 338.835 2.545 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC001236798454 1313531033 /nfs/dbraw/zinc/53/10/33/1313531033.db2.gz OLCUNGDNFQTUAS-KCJUWKMLSA-N 1 0 339.741 2.657 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c(Cl)c1 ZINC001236797516 1313531175 /nfs/dbraw/zinc/53/11/75/1313531175.db2.gz FRAMVYIXQIMGEQ-ZDUSSCGKSA-N 1 0 339.741 2.801 20 10 EFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2Cl)[C@H]1C ZINC001236801130 1313531194 /nfs/dbraw/zinc/53/11/94/1313531194.db2.gz DFYPKSFMYZWSIL-JQWIXIFHSA-N 1 0 327.808 2.828 20 10 EFCDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236804780 1313532144 /nfs/dbraw/zinc/53/21/44/1313532144.db2.gz ZKIPSOXEHYETGB-LLVKDONJSA-N 1 0 327.808 2.829 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC3(CCC(=O)O3)CC2)c(Cl)c1 ZINC001236803361 1313532353 /nfs/dbraw/zinc/53/23/53/1313532353.db2.gz MQFBJZVMLXXEFP-UHFFFAOYSA-N 1 0 325.792 2.726 20 10 EFCDRO COc1cc(O)c(CN2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC001236802122 1313532475 /nfs/dbraw/zinc/53/24/75/1313532475.db2.gz FRKYMNBYDPSNBJ-UHFFFAOYSA-N 1 0 333.819 2.771 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)[C@H](C)C2)c(O)c1 ZINC001236808029 1313532695 /nfs/dbraw/zinc/53/26/95/1313532695.db2.gz KQNHTZGZBZLPFC-IAQYHMDHSA-N 1 0 333.350 2.844 20 10 EFCDRO COc1ccc(C[N@H+](C)[C@@H]2CCC3(C2)OCCO3)c([O-])c1Cl ZINC001236809426 1313534176 /nfs/dbraw/zinc/53/41/76/1313534176.db2.gz MBRYSZYKOWDNCS-GFCCVEGCSA-N 1 0 327.808 2.782 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CCCCN3C(C)=O)c(O)c1 ZINC001236812860 1313534661 /nfs/dbraw/zinc/53/46/61/1313534661.db2.gz FXGSUISCXYPUMG-IBGZPJMESA-N 1 0 332.444 2.686 20 10 EFCDRO COc1cc(C)c(CN2CCC([N@H+](C)C3CCOCC3)CC2)c(O)c1 ZINC001236811596 1313534697 /nfs/dbraw/zinc/53/46/97/1313534697.db2.gz SCUSOFRHHCHKRN-UHFFFAOYSA-N 1 0 348.487 2.784 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCC(Oc3ncccn3)CC2)c(O)c1 ZINC001236811614 1313534964 /nfs/dbraw/zinc/53/49/64/1313534964.db2.gz SWLVWYICMJDVED-UHFFFAOYSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3c(C)cc(OC)cc3O)C2)c1 ZINC001236812676 1313534997 /nfs/dbraw/zinc/53/49/97/1313534997.db2.gz CXILLFJAKRMEFS-HNNXBMFYSA-N 1 0 344.411 2.766 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCC(Oc3ncc(F)cn3)CC2)c(O)c1 ZINC001236813089 1313535167 /nfs/dbraw/zinc/53/51/67/1313535167.db2.gz FZTCFZKYJJOTRB-UHFFFAOYSA-N 1 0 347.390 2.682 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](Oc3ccnc(OC)c3)C2)c(O)c1 ZINC001236816768 1313535595 /nfs/dbraw/zinc/53/55/95/1313535595.db2.gz WNKONUFBKUYHLT-HNNXBMFYSA-N 1 0 344.411 2.766 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCC(Oc3ccncn3)CC2)c(O)c1 ZINC001236815456 1313535665 /nfs/dbraw/zinc/53/56/65/1313535665.db2.gz LUVBJQXSAHJIIU-UHFFFAOYSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](Oc3ncccc3OC)C2)c(O)c1 ZINC001236816286 1313535849 /nfs/dbraw/zinc/53/58/49/1313535849.db2.gz SAPUDWHBQMHKPW-AWEZNQCLSA-N 1 0 344.411 2.766 20 10 EFCDRO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236817667 1313535887 /nfs/dbraw/zinc/53/58/87/1313535887.db2.gz GBEFFBDCRDYNAO-HNNXBMFYSA-N 1 0 334.460 2.790 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](Oc3cc(C)ncn3)C2)c(O)c1 ZINC001236816926 1313535973 /nfs/dbraw/zinc/53/59/73/1313535973.db2.gz YROHOXFGDGDSKI-OAHLLOKOSA-N 1 0 343.427 2.851 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCCN(c3ccccn3)CC2)c(O)c1 ZINC001236817053 1313536042 /nfs/dbraw/zinc/53/60/42/1313536042.db2.gz CFGFCKWPBLWSGI-UHFFFAOYSA-N 1 0 327.428 2.817 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](Oc3ncccc3OC)C2)c(O)c1 ZINC001236816293 1313536120 /nfs/dbraw/zinc/53/61/20/1313536120.db2.gz SAPUDWHBQMHKPW-CQSZACIVSA-N 1 0 344.411 2.766 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](Oc3nccnc3C)C2)c(O)c1 ZINC001236816151 1313536202 /nfs/dbraw/zinc/53/62/02/1313536202.db2.gz QRXSWSFJIDPBOG-HNNXBMFYSA-N 1 0 343.427 2.851 20 10 EFCDRO CN(C)c1ccc(/C=C\CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903984403 1313537216 /nfs/dbraw/zinc/53/72/16/1313537216.db2.gz VPFZZBPEYHLDAA-HFZJXRFXSA-N 1 0 327.394 2.977 20 10 EFCDRO CC(C)(C)OC(=O)N1CCOc2cc(O)c(C[NH+]3CC=CC3)cc2C1 ZINC001236842659 1313541233 /nfs/dbraw/zinc/54/12/33/1313541233.db2.gz FZEVHTZJSIIISF-UHFFFAOYSA-N 1 0 346.427 2.894 20 10 EFCDRO CC1C[NH+](Cc2cc3c(cc2O)OCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001236842829 1313541473 /nfs/dbraw/zinc/54/14/73/1313541473.db2.gz IYSOUWXSEWRSFQ-UHFFFAOYSA-N 1 0 348.443 2.973 20 10 EFCDRO Cc1cc(C)c(C[N@@H+]2C[C@@H]3OCCN(C4CCCC4)[C@H]3C2)c(O)c1 ZINC001276365397 1298817003 /nfs/dbraw/zinc/81/70/03/1298817003.db2.gz ORDSXPHMVJOSDD-ICSRJNTNSA-N 1 0 330.472 2.837 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC[C@]1(C)O ZINC001236924043 1313554101 /nfs/dbraw/zinc/55/41/01/1313554101.db2.gz JROAHGGZUDVPQP-KSSFIOAISA-N 1 0 338.879 2.769 20 10 EFCDRO C[C@H](c1ccccc1)[N@H+](Cc1ccccc1O)CC1(CO)COC1 ZINC000305780262 1298828636 /nfs/dbraw/zinc/82/86/36/1298828636.db2.gz NZMDMHLQFOBDFB-MRXNPFEDSA-N 1 0 327.424 2.964 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)c(F)c2)CC1 ZINC001236929266 1313555691 /nfs/dbraw/zinc/55/56/91/1313555691.db2.gz CWULUNDCOHNOHM-XLIONFOSSA-N 1 0 347.478 2.578 20 10 EFCDRO C[N@H+](C1CC1)[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236930726 1313555854 /nfs/dbraw/zinc/55/58/54/1313555854.db2.gz NVUJIAMVNAVMST-GOSISDBHSA-N 1 0 349.906 2.845 20 10 EFCDRO C[NH+](C)CCN(Cc1c(O)ccc(Cl)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC001236931876 1313556141 /nfs/dbraw/zinc/55/61/41/1313556141.db2.gz JVKZABQOEZINCD-GFCCVEGCSA-N 1 0 346.302 2.815 20 10 EFCDRO CN(Cc1ccccn1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236932504 1313556499 /nfs/dbraw/zinc/55/64/99/1313556499.db2.gz QASSDUCKTSSERS-UHFFFAOYSA-N 1 0 328.435 2.605 20 10 EFCDRO COCCCN(Cc1cccc(C(F)(F)F)c1O)[C@@H]1CC[NH2+]C1 ZINC001236949349 1313559593 /nfs/dbraw/zinc/55/95/93/1313559593.db2.gz YSLDSZOKIKBCQZ-CYBMUJFWSA-N 1 0 332.366 2.611 20 10 EFCDRO CN(Cc1cscn1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236943482 1313558304 /nfs/dbraw/zinc/55/83/04/1313558304.db2.gz SARBGFLZAAGFHQ-UHFFFAOYSA-N 1 0 334.464 2.666 20 10 EFCDRO C[C@@H]1c2cccn2CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236942900 1313558414 /nfs/dbraw/zinc/55/84/14/1313558414.db2.gz OANPJXCZWUIEJX-MRXNPFEDSA-N 1 0 342.462 2.956 20 10 EFCDRO COCCCN(Cc1c(O)ccc(Cl)c1Cl)[C@@H]1CC[NH2+]C1 ZINC001236945337 1313558897 /nfs/dbraw/zinc/55/88/97/1313558897.db2.gz HERFQPCXXZWMDA-LLVKDONJSA-N 1 0 333.259 2.899 20 10 EFCDRO FC(F)(F)[C@@H]1C[NH2+]CCN1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001236976866 1313564778 /nfs/dbraw/zinc/56/47/78/1313564778.db2.gz QOWJKIDYRFNMQZ-INIZCTEOSA-N 1 0 339.405 2.722 20 10 EFCDRO Oc1c(CN2CC[NH2+]C[C@@H]2C(F)(F)F)cccc1OC(F)(F)F ZINC001236982932 1313565761 /nfs/dbraw/zinc/56/57/61/1313565761.db2.gz SXQFTBBYEAIWBZ-SNVBAGLBSA-N 1 0 344.255 2.627 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCN(C)c3nc(C)ccc3C2)c(O)c1 ZINC001237042922 1313574207 /nfs/dbraw/zinc/57/42/07/1313574207.db2.gz MMJUYOMAMWTAHH-UHFFFAOYSA-N 1 0 327.428 2.946 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](Oc3nccnc3C)C2)c(O)c1 ZINC001237047961 1313574836 /nfs/dbraw/zinc/57/48/36/1313574836.db2.gz ODMYEZPQFOGKBC-KRWDZBQOSA-N 1 0 343.427 2.933 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ncncc3C)C2)c(O)c1 ZINC001237047346 1313575479 /nfs/dbraw/zinc/57/54/79/1313575479.db2.gz LJQPBWBSCSBDIW-MRXNPFEDSA-N 1 0 329.400 2.543 20 10 EFCDRO CCOc1ccc(C[N@H+]2C[C@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001237047038 1313575500 /nfs/dbraw/zinc/57/55/00/1313575500.db2.gz QOZVLVVFOZGRLY-ZBFHGGJFSA-N 1 0 348.443 2.842 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncc(C)cn3)C2)c(O)c1 ZINC001237048878 1313575712 /nfs/dbraw/zinc/57/57/12/1313575712.db2.gz YYQBSHCJNRRSIM-QGZVFWFLSA-N 1 0 343.427 2.933 20 10 EFCDRO CC(C)c1ccc(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c(O)c1 ZINC001237048745 1313575913 /nfs/dbraw/zinc/57/59/13/1313575913.db2.gz OUFRFWRKKSNWNX-HDICACEKSA-N 1 0 338.455 2.874 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000085367274 1299016935 /nfs/dbraw/zinc/01/69/35/1299016935.db2.gz GIDRMIFKQPPYDF-STQMWFEESA-N 1 0 337.464 2.737 20 10 EFCDRO COc1cc(O)c(CN2CC[NH+](C(C)C)CC2)c(Br)c1 ZINC001237064301 1313580270 /nfs/dbraw/zinc/58/02/70/1313580270.db2.gz ZVZVVMGXHOBVAO-UHFFFAOYSA-N 1 0 343.265 2.689 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](O)CC2)c(Br)c1 ZINC001237064079 1313580310 /nfs/dbraw/zinc/58/03/10/1313580310.db2.gz WMZQAEOXOGCZCN-JTQLQIEISA-N 1 0 330.222 2.510 20 10 EFCDRO CCN(CCC[NH+](C)C)Cc1c(O)cc(OC)cc1Br ZINC001237068950 1313581390 /nfs/dbraw/zinc/58/13/90/1313581390.db2.gz WJQUIXXDISOSCY-UHFFFAOYSA-N 1 0 345.281 2.937 20 10 EFCDRO COc1cc(O)c(CN2CCC[C@H]2C(C)=O)c(Br)c1 ZINC001237069110 1313581408 /nfs/dbraw/zinc/58/14/08/1313581408.db2.gz YWYXPHBCVHRSPR-ZDUSSCGKSA-N 1 0 328.206 2.717 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@]3(CCO3)C2)c(Br)c1 ZINC001237072443 1313581771 /nfs/dbraw/zinc/58/17/71/1313581771.db2.gz GVSNGQFMPZBHLQ-HNNXBMFYSA-N 1 0 342.233 2.918 20 10 EFCDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3ccc(C(C)C)cc3O)C2)n1 ZINC001237052452 1313576703 /nfs/dbraw/zinc/57/67/03/1313576703.db2.gz ZSQKGISMWHDXNJ-INIZCTEOSA-N 1 0 343.427 2.968 20 10 EFCDRO C[C@@]1(O)CCN(Cc2ccc(OCC(F)(F)F)cc2O)C[C@@H]1F ZINC001237053189 1313576717 /nfs/dbraw/zinc/57/67/17/1313576717.db2.gz HLEZUYCDEWAOSI-UONOGXRCSA-N 1 0 337.313 2.628 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001237052700 1313576784 /nfs/dbraw/zinc/57/67/84/1313576784.db2.gz BVQNLZYNOAOETK-OLZOCXBDSA-N 1 0 337.313 2.628 20 10 EFCDRO COC[C@H]1Cn2nccc2C[N@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237052559 1313577041 /nfs/dbraw/zinc/57/70/41/1313577041.db2.gz BPTSOULVDHYQBK-OAHLLOKOSA-N 1 0 329.444 2.991 20 10 EFCDRO CC1=NC2(CC[NH+](Cc3ccc(C(C)C)cc3O)CC2)C(=O)N1C ZINC001237051247 1313577168 /nfs/dbraw/zinc/57/71/68/1313577168.db2.gz JBECPGBTHBBGJR-UHFFFAOYSA-N 1 0 329.444 2.741 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001237057348 1313577566 /nfs/dbraw/zinc/57/75/66/1313577566.db2.gz BNBYWWQSMGXMPD-IUODEOHRSA-N 1 0 331.334 2.944 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CCC[C@@H]1O ZINC001237053780 1313577897 /nfs/dbraw/zinc/57/78/97/1313577897.db2.gz QHMYEKSRFOBSEP-RISCZKNCSA-N 1 0 333.350 2.926 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001237059960 1313578659 /nfs/dbraw/zinc/57/86/59/1313578659.db2.gz RGMJKIOKMQIRDU-STQMWFEESA-N 1 0 331.334 2.802 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCO[C@@H](C)C2)c(Br)c1 ZINC001237062565 1313579732 /nfs/dbraw/zinc/57/97/32/1313579732.db2.gz MREMTVPDDFAPPD-JTQLQIEISA-N 1 0 330.222 2.774 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3coc(C)n3)C2)cc1C ZINC000961757624 1299094547 /nfs/dbraw/zinc/09/45/47/1299094547.db2.gz DOJPWFKILXTFEC-UHFFFAOYSA-N 1 0 343.427 2.598 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001237112067 1313587660 /nfs/dbraw/zinc/58/76/60/1313587660.db2.gz ZVENSIFODHRPIW-LBPRGKRZSA-N 1 0 330.350 2.961 20 10 EFCDRO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237114864 1313588361 /nfs/dbraw/zinc/58/83/61/1313588361.db2.gz NSUMGJRPGLJCIO-GFCCVEGCSA-N 1 0 346.349 2.734 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1CN1CC([NH+]2CCC(F)CC2)C1 ZINC001237122679 1313590440 /nfs/dbraw/zinc/59/04/40/1313590440.db2.gz KISHWHVRIDGEMU-UHFFFAOYSA-N 1 0 348.340 2.909 20 10 EFCDRO CN(C)C(=O)[C@@H]1CC12CC[NH+](Cc1c(O)ccc(F)c1Cl)CC2 ZINC001237123367 1313590596 /nfs/dbraw/zinc/59/05/96/1313590596.db2.gz DMGHESCXBTVOTB-LBPRGKRZSA-N 1 0 340.826 2.875 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001237122465 1313590906 /nfs/dbraw/zinc/59/09/06/1313590906.db2.gz JDQKLCPTJOZVEN-UHFFFAOYSA-N 1 0 348.340 2.909 20 10 EFCDRO CC[N@H+]1C[C@H]2CN(Cc3c(O)cccc3OC(F)(F)F)C[C@H]2C1 ZINC001237125617 1313591422 /nfs/dbraw/zinc/59/14/22/1313591422.db2.gz OLWNMMVVDOOMPK-TXEJJXNPSA-N 1 0 330.350 2.674 20 10 EFCDRO CC(C)(C)c1cc(O)c(CN2CC[C@]3(C2)C[NH2+]CCO3)cc1Cl ZINC001237142743 1313592495 /nfs/dbraw/zinc/59/24/95/1313592495.db2.gz BQQFOGHKQJOBHT-GOSISDBHSA-N 1 0 338.879 2.907 20 10 EFCDRO CO[C@H]1C[NH2+]C[C@@H]1N(C)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001237173932 1313598273 /nfs/dbraw/zinc/59/82/73/1313598273.db2.gz WBFFTKYRYQVGGN-HOCLYGCPSA-N 1 0 326.868 2.762 20 10 EFCDRO CN1CCO[C@@]2(CCC[N@H+](Cc3ccc(C(F)(F)F)cc3O)C2)C1 ZINC001276505714 1313604788 /nfs/dbraw/zinc/60/47/88/1313604788.db2.gz WMERGEFHBBSNAJ-INIZCTEOSA-N 1 0 344.377 2.708 20 10 EFCDRO C[C@H]1CCCCC[N@@H+]1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237204484 1313604905 /nfs/dbraw/zinc/60/49/05/1313604905.db2.gz CDEYPHSWXUGUFI-INIZCTEOSA-N 1 0 336.501 2.686 20 10 EFCDRO O=S1(=O)CCN(c2ccc(C[N@@H+]3CC[C@@H]4CCC[C@@H]4C3)cc2)CC1 ZINC001237204606 1313605009 /nfs/dbraw/zinc/60/50/09/1313605009.db2.gz COWJXLYMKNOADQ-ZWKOTPCHSA-N 1 0 348.512 2.543 20 10 EFCDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237202740 1313605206 /nfs/dbraw/zinc/60/52/06/1313605206.db2.gz KCTWFPVHVZBLPP-HZPDHXFCSA-N 1 0 336.501 2.684 20 10 EFCDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237222024 1313608736 /nfs/dbraw/zinc/60/87/36/1313608736.db2.gz WJGIGGIYJGRGKP-SFHVURJKSA-N 1 0 336.501 2.542 20 10 EFCDRO OCCC[NH+]1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001237259733 1313614210 /nfs/dbraw/zinc/61/42/10/1313614210.db2.gz XNAXMZSRSIPXDA-UHFFFAOYSA-N 1 0 337.423 2.999 20 10 EFCDRO Oc1ccccc1C[N@H+](CCOCC(F)(F)F)C[C@H]1CCCO1 ZINC000109761420 1299337107 /nfs/dbraw/zinc/33/71/07/1299337107.db2.gz QMEYQKOUEGZIBZ-CQSZACIVSA-N 1 0 333.350 2.952 20 10 EFCDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1O ZINC000109770226 1299337973 /nfs/dbraw/zinc/33/79/73/1299337973.db2.gz GACGECHQJNVYIU-GFCCVEGCSA-N 1 0 329.356 2.759 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3cc(F)c[nH]3)C2)cc1C ZINC000962097707 1299381025 /nfs/dbraw/zinc/38/10/25/1299381025.db2.gz RABHLDINNVCGLM-UHFFFAOYSA-N 1 0 345.418 2.769 20 10 EFCDRO COc1ccc(N2CCN(CC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1F ZINC000851808028 1299408289 /nfs/dbraw/zinc/40/82/89/1299408289.db2.gz JSEMXEPVXLHAMM-CALCHBBNSA-N 1 0 349.494 2.934 20 10 EFCDRO Oc1ccccc1C[N@H+](C[C@H](O)c1ccccn1)C[C@H]1CCCO1 ZINC000851840626 1299427901 /nfs/dbraw/zinc/42/79/01/1299427901.db2.gz JABWRYFVICGVJH-APWZRJJASA-N 1 0 328.412 2.502 20 10 EFCDRO Oc1cccc(Br)c1CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237394866 1313635904 /nfs/dbraw/zinc/63/59/04/1313635904.db2.gz WPKLPUMZYRUORA-SMDDNHRTSA-N 1 0 325.250 2.729 20 10 EFCDRO COC(=O)c1c(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)c2ccccc2n1C ZINC001237418129 1313641803 /nfs/dbraw/zinc/64/18/03/1313641803.db2.gz VXJLRTFBAWQORS-WMLDXEAASA-N 1 0 341.455 2.539 20 10 EFCDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000852465778 1299713578 /nfs/dbraw/zinc/71/35/78/1299713578.db2.gz KTXGAZHHMXHSKF-HNNXBMFYSA-N 1 0 345.487 2.943 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000852466889 1299714919 /nfs/dbraw/zinc/71/49/19/1299714919.db2.gz XULNKLNQNMEAPN-MRXNPFEDSA-N 1 0 332.492 2.733 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000852466716 1299715122 /nfs/dbraw/zinc/71/51/22/1299715122.db2.gz UQYUSYUQLSHBHG-CHWSQXEVSA-N 1 0 335.448 2.634 20 10 EFCDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000852468620 1299715204 /nfs/dbraw/zinc/71/52/04/1299715204.db2.gz PDIWBDPVRTZHFP-CYBMUJFWSA-N 1 0 325.840 2.718 20 10 EFCDRO CN1CCCc2cc(CNC(=O)N[C@@H]3CC[N@@H+](C(C)(C)C)C3)ccc21 ZINC000852466799 1299715323 /nfs/dbraw/zinc/71/53/23/1299715323.db2.gz WBTKWUSQBDBNOL-QGZVFWFLSA-N 1 0 344.503 2.741 20 10 EFCDRO COC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2cccc(C)c2O)c1 ZINC001237450369 1313646453 /nfs/dbraw/zinc/64/64/53/1313646453.db2.gz CTNREZKQEUHUKE-GOSISDBHSA-N 1 0 340.423 2.634 20 10 EFCDRO CCO[C@H]1CC[N@H+](Cc2c(C)cccc2O)[C@H]1Cc1cnn(C)c1 ZINC001237487842 1313654725 /nfs/dbraw/zinc/65/47/25/1313654725.db2.gz FCOSYBSERXUQCE-HKUYNNGSSA-N 1 0 329.444 2.656 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001237487358 1313655013 /nfs/dbraw/zinc/65/50/13/1313655013.db2.gz YNHTYYLQMWPSLR-HXUWFJFHSA-N 1 0 337.423 2.725 20 10 EFCDRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3c(C)cccc3O)O2)n1 ZINC001237489041 1313655154 /nfs/dbraw/zinc/65/51/54/1313655154.db2.gz UMKVPHUYCOVWIS-OIISXLGYSA-N 1 0 329.400 2.887 20 10 EFCDRO Cc1cccc(O)c1C[NH+]1C[C@@H]2CN(C(=O)c3ccccc3)C[C@H]2C1 ZINC001237486852 1313655319 /nfs/dbraw/zinc/65/53/19/1313655319.db2.gz UYKHHFRHXVUPHF-QZTJIDSGSA-N 1 0 336.435 2.905 20 10 EFCDRO COc1ccc(N(C)CCN(C)C(=O)c2cccc3c2C[NH2+]C3)cc1 ZINC000852836112 1299908663 /nfs/dbraw/zinc/90/86/63/1299908663.db2.gz XDTWUYORKANSNH-UHFFFAOYSA-N 1 0 339.439 2.507 20 10 EFCDRO Cc1cccc(O)c1CN1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001237490105 1313655603 /nfs/dbraw/zinc/65/56/03/1313655603.db2.gz PRZVUOFBCKMRQX-UHFFFAOYSA-N 1 0 343.475 2.538 20 10 EFCDRO Cc1cccc(O)c1C[NH+]1CCC2(CCN(CC3CC3)C2=O)CC1 ZINC001237490732 1313655940 /nfs/dbraw/zinc/65/59/40/1313655940.db2.gz AHOLSWVLVCUSDY-UHFFFAOYSA-N 1 0 328.456 2.925 20 10 EFCDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000852864133 1299919493 /nfs/dbraw/zinc/91/94/93/1299919493.db2.gz OHVNTNDHOXSVCU-OAHLLOKOSA-N 1 0 344.484 2.530 20 10 EFCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c1 ZINC000111171236 1300051050 /nfs/dbraw/zinc/05/10/50/1300051050.db2.gz ORVUGMQASZRXCO-INIZCTEOSA-N 1 0 346.471 2.982 20 10 EFCDRO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000111236389 1300081911 /nfs/dbraw/zinc/08/19/11/1300081911.db2.gz OXPDUALWUASBQY-ZDUSSCGKSA-N 1 0 348.393 2.850 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853556068 1300163941 /nfs/dbraw/zinc/16/39/41/1300163941.db2.gz WMTBUQCFPWCMEB-CXAGYDPISA-N 1 0 346.471 2.799 20 10 EFCDRO C[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C[C@@H]1COCCO1 ZINC000853558756 1300164707 /nfs/dbraw/zinc/16/47/07/1300164707.db2.gz JKSAFLDXXGCFRN-CYBMUJFWSA-N 1 0 331.412 2.864 20 10 EFCDRO COCC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000779992872 1300175733 /nfs/dbraw/zinc/17/57/33/1300175733.db2.gz PBAKNAJJHBTPBH-SFHVURJKSA-N 1 0 330.428 2.984 20 10 EFCDRO CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000853584857 1300178417 /nfs/dbraw/zinc/17/84/17/1300178417.db2.gz MDOKHNYAZMCJRC-MRXNPFEDSA-N 1 0 326.396 2.832 20 10 EFCDRO O=C1OCCN1C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000853608470 1300191216 /nfs/dbraw/zinc/19/12/16/1300191216.db2.gz UPAISGIOZUWNPZ-UHFFFAOYSA-N 1 0 326.396 2.962 20 10 EFCDRO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000853630407 1300200684 /nfs/dbraw/zinc/20/06/84/1300200684.db2.gz FYZUVPCPFSHBLU-PXAZEXFGSA-N 1 0 327.380 2.774 20 10 EFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000111509844 1300232034 /nfs/dbraw/zinc/23/20/34/1300232034.db2.gz ALIWOQBHOVXGCT-KBPBESRZSA-N 1 0 335.448 2.635 20 10 EFCDRO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000962978817 1300252024 /nfs/dbraw/zinc/25/20/24/1300252024.db2.gz XCDDWTAGWVBLTO-FWYOQMDTSA-N 1 0 343.431 2.555 20 10 EFCDRO NC(=O)[C@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237640403 1313682401 /nfs/dbraw/zinc/68/24/01/1313682401.db2.gz AWCOKPNMSFNNAP-HNNXBMFYSA-N 1 0 328.387 2.896 20 10 EFCDRO C[C@]1(CO)CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C[C@H]1O ZINC001237640462 1313682418 /nfs/dbraw/zinc/68/24/18/1313682418.db2.gz BTOINQDBYGNQCU-WOJBJXKFSA-N 1 0 345.414 2.764 20 10 EFCDRO CCc1nnc(C2CC[NH+](Cc3cc(OC)cc(OC)c3O)CC2)o1 ZINC001237678045 1313689678 /nfs/dbraw/zinc/68/96/78/1313689678.db2.gz JPWTVQGJKAFYTD-UHFFFAOYSA-N 1 0 347.415 2.734 20 10 EFCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)c(C)cc2O)C1 ZINC001237678738 1313690021 /nfs/dbraw/zinc/69/00/21/1313690021.db2.gz LRUYYQROMZQDSC-LLVKDONJSA-N 1 0 342.233 2.848 20 10 EFCDRO CCOC(=O)CC[N@H+](C)Cc1cc(Br)c(C)cc1O ZINC001237680205 1313690297 /nfs/dbraw/zinc/69/02/97/1313690297.db2.gz ANRFUKZGCGCWQA-UHFFFAOYSA-N 1 0 330.222 2.848 20 10 EFCDRO Cc1cc(O)c(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1Br ZINC001237681015 1313691196 /nfs/dbraw/zinc/69/11/96/1313691196.db2.gz GHPIDXZDDVXVJM-SMDDNHRTSA-N 1 0 325.250 2.599 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H](Oc3ncccc3C)C2)c(O)c(OC)c1 ZINC001237684260 1313691519 /nfs/dbraw/zinc/69/15/19/1313691519.db2.gz PLSUXEAUMOONFL-HNNXBMFYSA-N 1 0 344.411 2.766 20 10 EFCDRO CC1=NC2(CC[NH+](Cc3cc(Cl)cc(C)c3O)CC2)C(=O)N1C ZINC001237688845 1313692539 /nfs/dbraw/zinc/69/25/39/1313692539.db2.gz JTIGYABMYVJZOR-UHFFFAOYSA-N 1 0 335.835 2.579 20 10 EFCDRO COc1cnc(O[C@H]2CC[N@H+](Cc3cc(Cl)cc(C)c3O)C2)nc1 ZINC001237690484 1313692580 /nfs/dbraw/zinc/69/25/80/1313692580.db2.gz YKBHKQAELXQCEW-AWEZNQCLSA-N 1 0 349.818 2.806 20 10 EFCDRO COCC[NH+](CCOC)Cc1cc(Br)c(C)cc1O ZINC001237676086 1313688810 /nfs/dbraw/zinc/68/88/10/1313688810.db2.gz DYLUPSOWRPPOOA-UHFFFAOYSA-N 1 0 332.238 2.558 20 10 EFCDRO COc1cc(C[NH+]2CCC(c3ncccn3)CC2)c(O)c(OC)c1 ZINC001237672939 1313689178 /nfs/dbraw/zinc/68/91/78/1313689178.db2.gz BHNQFJSCNRRVBU-UHFFFAOYSA-N 1 0 329.400 2.579 20 10 EFCDRO COc1cc(C[N@@H+]2CCc3cccc(OC)c3C2)c(O)c(OC)c1 ZINC001237674388 1313689285 /nfs/dbraw/zinc/68/92/85/1313689285.db2.gz FRVYIQWFIZDAFV-UHFFFAOYSA-N 1 0 329.396 2.976 20 10 EFCDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000776801316 1300868288 /nfs/dbraw/zinc/86/82/88/1300868288.db2.gz XUIULCZKQKGWNR-CYBMUJFWSA-N 1 0 337.439 2.848 20 10 EFCDRO COCCCCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207642211 1313737394 /nfs/dbraw/zinc/73/73/94/1313737394.db2.gz MQWZLWQKIAPBKC-GOSISDBHSA-N 1 0 348.487 2.901 20 10 EFCDRO COCCCCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207642212 1313737807 /nfs/dbraw/zinc/73/78/07/1313737807.db2.gz MQWZLWQKIAPBKC-SFHVURJKSA-N 1 0 348.487 2.901 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C[C@@H](C)OC)C2)cc1C ZINC001207652263 1313741381 /nfs/dbraw/zinc/74/13/81/1313741381.db2.gz ZDBIFYKVKXNBPV-NVXWUHKLSA-N 1 0 334.460 2.509 20 10 EFCDRO Cc1cc(C(=O)CN2CC[C@@H](n3cncn3)C2)c(C)n1-c1ccccc1 ZINC000776874296 1301216863 /nfs/dbraw/zinc/21/68/63/1301216863.db2.gz PSRIIXDYKNTPSD-GOSISDBHSA-N 1 0 349.438 2.815 20 10 EFCDRO CCn1ncc2c1[C@H](COC)C[N@H+](Cc1cc(F)cc(C)c1O)C2 ZINC001238063112 1313753956 /nfs/dbraw/zinc/75/39/56/1313753956.db2.gz XQNQHFXYVDAUJB-HNNXBMFYSA-N 1 0 333.407 2.802 20 10 EFCDRO Cc1cc(F)cc(C[NH+]2C[C@H]3CN(C(=O)c4ccco4)C[C@@H]3C2)c1O ZINC001238061690 1313753297 /nfs/dbraw/zinc/75/32/97/1313753297.db2.gz QPSJYSHGFZZIID-GJZGRUSLSA-N 1 0 344.386 2.637 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)c1O ZINC001238062333 1313753551 /nfs/dbraw/zinc/75/35/51/1313753551.db2.gz WESCTUIGPUGLNQ-ZSOGYDGISA-N 1 0 332.419 2.576 20 10 EFCDRO Cc1cc(F)cc(C[NH+]2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)c1O ZINC001238060782 1313753702 /nfs/dbraw/zinc/75/37/02/1313753702.db2.gz JBOGYUUYBJTKNK-IAGOWNOFSA-N 1 0 341.430 2.799 20 10 EFCDRO Cc1cc(F)cc(C[NH+]2CCC(NC(=O)c3cccnc3)CC2)c1O ZINC001238065941 1313754141 /nfs/dbraw/zinc/75/41/41/1313754141.db2.gz GSJLZBDJUYKDQJ-UHFFFAOYSA-N 1 0 343.402 2.629 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)c1O ZINC001238066098 1313754205 /nfs/dbraw/zinc/75/42/05/1313754205.db2.gz HVJOYPTZLFXGQJ-MRXNPFEDSA-N 1 0 335.423 2.610 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)c1O ZINC001238063014 1313754417 /nfs/dbraw/zinc/75/44/17/1313754417.db2.gz ZDDIKSQDNPEIDV-YOEHRIQHSA-N 1 0 334.435 2.919 20 10 EFCDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3cc(F)cc(C)c3O)C2)c1 ZINC001238066751 1313754970 /nfs/dbraw/zinc/75/49/70/1313754970.db2.gz PCNFKYWGHPLLGM-MRXNPFEDSA-N 1 0 332.375 2.897 20 10 EFCDRO COc1ccc(N2CC[NH+](Cc3cc(F)cc(C)c3O)CC2)nc1 ZINC001238068857 1313755098 /nfs/dbraw/zinc/75/50/98/1313755098.db2.gz WKRMQTIHKKYRHT-UHFFFAOYSA-N 1 0 331.391 2.566 20 10 EFCDRO COc1cccnc1O[C@@H]1CC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238066293 1313755290 /nfs/dbraw/zinc/75/52/90/1313755290.db2.gz LVYSCWHWKQWMER-OAHLLOKOSA-N 1 0 332.375 2.897 20 10 EFCDRO Cc1cc(F)cc(C[NH+]2CCC3(CC2)OC(=O)c2ncccc23)c1O ZINC001238071444 1313755751 /nfs/dbraw/zinc/75/57/51/1313755751.db2.gz XLOGHYBZHOGWJL-UHFFFAOYSA-N 1 0 342.370 2.896 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000859365201 1301444963 /nfs/dbraw/zinc/44/49/63/1301444963.db2.gz TZXWPJMJHZYIRI-CQSZACIVSA-N 1 0 341.455 2.977 20 10 EFCDRO Cc1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)ccc1N(C)C ZINC000859881634 1301617574 /nfs/dbraw/zinc/61/75/74/1301617574.db2.gz SDTVKCOEDISYGF-APWZRJJASA-N 1 0 327.428 2.781 20 10 EFCDRO Cc1cccc(CCC[NH2+]Cc2ccc(N3CCOCC3)cc2)n1 ZINC000796449453 1301626880 /nfs/dbraw/zinc/62/68/80/1301626880.db2.gz QLMCFJRQRRQNED-UHFFFAOYSA-N 1 0 325.456 2.949 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H](C)OC)C2)cc1C ZINC001207883216 1313795475 /nfs/dbraw/zinc/79/54/75/1313795475.db2.gz DCHRNWNOFZXVET-SJLPKXTDSA-N 1 0 348.487 2.899 20 10 EFCDRO CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CCC([NH2+]CCF)CC1 ZINC000964448171 1301849229 /nfs/dbraw/zinc/84/92/29/1301849229.db2.gz ODIUXVIZWRHBTO-UHFFFAOYSA-N 1 0 349.410 2.791 20 10 EFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000246692389 1302049770 /nfs/dbraw/zinc/04/97/70/1302049770.db2.gz ALIWOQBHOVXGCT-KGLIPLIRSA-N 1 0 335.448 2.635 20 10 EFCDRO CC[N@H+](C)C[C@@H]1CCN(Cc2c(O)cccc2Br)C1 ZINC000862250294 1302321045 /nfs/dbraw/zinc/32/10/45/1302321045.db2.gz MOKYLZDGJHQZQB-LBPRGKRZSA-N 1 0 327.266 2.928 20 10 EFCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1F ZINC000862251888 1302321432 /nfs/dbraw/zinc/32/14/32/1302321432.db2.gz PWQFRNKAUJTWSF-CYBMUJFWSA-N 1 0 334.414 2.829 20 10 EFCDRO COCCOC[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862250760 1302322751 /nfs/dbraw/zinc/32/27/51/1302322751.db2.gz UFPGDQXERKUSSV-GFCCVEGCSA-N 1 0 344.249 2.640 20 10 EFCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862250243 1302323740 /nfs/dbraw/zinc/32/37/40/1302323740.db2.gz LCYVREZSYRAIKS-AWEZNQCLSA-N 1 0 328.206 2.540 20 10 EFCDRO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862369909 1302352505 /nfs/dbraw/zinc/35/25/05/1302352505.db2.gz YWHWSOQYWIYTJE-AWEZNQCLSA-N 1 0 339.430 2.769 20 10 EFCDRO OC[C@H]1C[N@H+](Cc2c(O)cccc2Br)CCC1(F)F ZINC000862371572 1302352805 /nfs/dbraw/zinc/35/28/05/1302352805.db2.gz IAQZIYXEPFSSIW-SECBINFHSA-N 1 0 336.176 2.604 20 10 EFCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862394579 1302365967 /nfs/dbraw/zinc/36/59/67/1302365967.db2.gz LMBVNRDHQQABRD-HNNXBMFYSA-N 1 0 342.233 2.930 20 10 EFCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000862478947 1302394152 /nfs/dbraw/zinc/39/41/52/1302394152.db2.gz WYMSCRYCHGFYEO-CQSZACIVSA-N 1 0 333.453 2.997 20 10 EFCDRO Cc1ccc(O)c(C[N@H+](C)CCOCCNC(=O)OC(C)(C)C)c1 ZINC000862526149 1302403399 /nfs/dbraw/zinc/40/33/99/1302403399.db2.gz NYHTWVRTTOMWBI-UHFFFAOYSA-N 1 0 338.448 2.674 20 10 EFCDRO Cc1ccc(O)c(C[N@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000862542818 1302411284 /nfs/dbraw/zinc/41/12/84/1302411284.db2.gz AXUHXFDSPWFKCD-UHFFFAOYSA-N 1 0 342.395 2.542 20 10 EFCDRO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000748263822 1313841769 /nfs/dbraw/zinc/84/17/69/1313841769.db2.gz OHEWAXFRYMDJIF-OLZOCXBDSA-N 1 0 340.423 2.870 20 10 EFCDRO O=C([C@@H]1CCC[C@@]12CC[N@@H+](Cc1cc(F)ccc1O)C2)N1CC=CC1 ZINC001278257357 1313846639 /nfs/dbraw/zinc/84/66/39/1313846639.db2.gz UJTFNTDVKOIOAU-PXNSSMCTSA-N 1 0 344.430 2.922 20 10 EFCDRO CC(C)(C)NC(=O)c1noc2c1CN(Cc1cc(F)ccc1O)CC2 ZINC001278254631 1313844149 /nfs/dbraw/zinc/84/41/49/1313844149.db2.gz CKEXLMUQGWLHII-UHFFFAOYSA-N 1 0 347.390 2.606 20 10 EFCDRO CCOc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(O)c1 ZINC000863646978 1302667470 /nfs/dbraw/zinc/66/74/70/1302667470.db2.gz UBSIKWSTQRWKDJ-GXTWGEPZSA-N 1 0 332.366 2.750 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@@]4(CCO[C@H]4C)C3)c2c1 ZINC000794661425 1302884160 /nfs/dbraw/zinc/88/41/60/1302884160.db2.gz HLIYIRWIEFIXCC-XOBRGWDASA-N 1 0 343.423 2.934 20 10 EFCDRO Cc1ccc(O)c(CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000864395959 1302922318 /nfs/dbraw/zinc/92/23/18/1302922318.db2.gz DZASEDYKKIESBO-CQSZACIVSA-N 1 0 333.457 2.864 20 10 EFCDRO [NH3+]CC1(NS(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC001238869485 1313877333 /nfs/dbraw/zinc/87/73/33/1313877333.db2.gz HGKKNBMHWWDEME-VHEBQXMUSA-N 1 0 330.413 2.872 20 10 EFCDRO O=S(=O)(N[C@H]1CC12C[NH2+]C2)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238877357 1313877760 /nfs/dbraw/zinc/87/77/60/1313877760.db2.gz JAJFZXXODCRFBW-QBNCKDSPSA-N 1 0 342.424 2.742 20 10 EFCDRO C[NH2+]CCN(C)S(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238919895 1313883451 /nfs/dbraw/zinc/88/34/51/1313883451.db2.gz WWPAEQMPBHOWNF-VHEBQXMUSA-N 1 0 332.429 2.942 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@]2(CCOC2)O1 ZINC000794708798 1303024045 /nfs/dbraw/zinc/02/40/45/1303024045.db2.gz YSYNYKFNWMEKTL-YJYMSZOUSA-N 1 0 335.444 2.775 20 10 EFCDRO C[C@H]1C[C@@H]1c1nnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000865294156 1303209831 /nfs/dbraw/zinc/20/98/31/1303209831.db2.gz IIMBFJIBELGCSH-BBRMVZONSA-N 1 0 327.432 2.557 20 10 EFCDRO C[N@H+](CCc1ccccn1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000120823453 1303463707 /nfs/dbraw/zinc/46/37/07/1303463707.db2.gz CTULKTVXCMFZJT-UHFFFAOYSA-N 1 0 329.419 2.732 20 10 EFCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@@]2(CCCOC2)O1 ZINC000794886863 1303477545 /nfs/dbraw/zinc/47/75/45/1303477545.db2.gz BHKKBXDEFGHREV-IFXJQAMLSA-N 1 0 328.412 2.710 20 10 EFCDRO CC(C)[NH2+]C1CC2(CC(NC(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC000965943736 1303479207 /nfs/dbraw/zinc/47/92/07/1303479207.db2.gz UQNVQVCDXPJNRZ-UHFFFAOYSA-N 1 0 343.431 2.888 20 10 EFCDRO COc1ccc(N2CC[NH+](Cc3cccc(N)c3)CC2)c(OC)c1 ZINC000866697736 1303753900 /nfs/dbraw/zinc/75/39/00/1303753900.db2.gz XGCXCMMBODAEDS-UHFFFAOYSA-N 1 0 327.428 2.608 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC(F)(F)F)C2)cc1C ZINC001018593005 1313958820 /nfs/dbraw/zinc/95/88/20/1313958820.db2.gz HAIFENLQPQPFTJ-ZDUSSCGKSA-N 1 0 330.350 2.647 20 10 EFCDRO Cc1cc(-c2nc3ccccc3n2C)c(-c2cncc(C[NH3+])c2)nn1 ZINC001239790627 1313963796 /nfs/dbraw/zinc/96/37/96/1313963796.db2.gz OTMVFROXZZIYOS-UHFFFAOYSA-N 1 0 330.395 2.859 20 10 EFCDRO C[C@@H](NC(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccccc1O ZINC000868792045 1304478791 /nfs/dbraw/zinc/47/87/91/1304478791.db2.gz YGJJYARYHATTIS-CQSZACIVSA-N 1 0 331.460 2.874 20 10 EFCDRO COc1ccc(CNC(=O)NCCC2CC[NH+](C(C)C)CC2)c(O)c1 ZINC000868945486 1304545030 /nfs/dbraw/zinc/54/50/30/1304545030.db2.gz HVKMVUIRBSHNHB-UHFFFAOYSA-N 1 0 349.475 2.711 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(-n2cnnn2)c1 ZINC000122413880 1304608203 /nfs/dbraw/zinc/60/82/03/1304608203.db2.gz PDEBMAUEZRSFDZ-ZDUSSCGKSA-N 1 0 340.406 2.718 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCc3ccoc3)C2)cc1C ZINC001018696862 1314006395 /nfs/dbraw/zinc/00/63/95/1314006395.db2.gz JQUOPZOTSFKRFM-SFHVURJKSA-N 1 0 342.439 2.920 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3[nH]ccc3C)C2)cc1C ZINC001018796926 1314050528 /nfs/dbraw/zinc/05/05/28/1314050528.db2.gz XSCWVQOVYBESQN-INIZCTEOSA-N 1 0 327.428 2.644 20 10 EFCDRO CC[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1[NH2+]CCF ZINC001037977333 1305518365 /nfs/dbraw/zinc/51/83/65/1305518365.db2.gz SNPFTNBWEFRSSJ-IUODEOHRSA-N 1 0 349.410 2.649 20 10 EFCDRO CC[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1[NH2+]CCF ZINC001037977337 1305518628 /nfs/dbraw/zinc/51/86/28/1305518628.db2.gz SNPFTNBWEFRSSJ-WFASDCNBSA-N 1 0 349.410 2.649 20 10 EFCDRO CC(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001208968721 1314060939 /nfs/dbraw/zinc/06/09/39/1314060939.db2.gz ZECJJSUMGHMZNK-LJQANCHMSA-N 1 0 329.488 2.977 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(F)nc3)C2)cc1C ZINC000967997323 1305705460 /nfs/dbraw/zinc/70/54/60/1305705460.db2.gz TUYIXGRGUVLWIW-MRXNPFEDSA-N 1 0 343.402 2.542 20 10 EFCDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2cc(C)ccc2O)s1 ZINC000796531412 1305971075 /nfs/dbraw/zinc/97/10/75/1305971075.db2.gz YUSQKJGNXVFFCE-VXGBXAGGSA-N 1 0 348.472 2.867 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H]3CN(Cc4ccc[nH]4)C[C@H]32)cc1Cl ZINC001276618154 1314095998 /nfs/dbraw/zinc/09/59/98/1314095998.db2.gz YUHLJHGCIVNPPP-BLLLJJGKSA-N 1 0 347.846 2.786 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[C@H]3CCOC3)C2)cc1C ZINC000968371624 1306207793 /nfs/dbraw/zinc/20/77/93/1306207793.db2.gz KDUIUTUYIXDRMZ-FUHWJXTLSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cncc(F)c3)C2)cc1C ZINC000968396851 1306254181 /nfs/dbraw/zinc/25/41/81/1306254181.db2.gz DCOIPRMVBPARMD-QGZVFWFLSA-N 1 0 343.402 2.542 20 10 EFCDRO CCc1nc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)co1 ZINC000968469770 1306366635 /nfs/dbraw/zinc/36/66/35/1306366635.db2.gz POSNUHGTIRFBIF-OAHLLOKOSA-N 1 0 343.427 2.558 20 10 EFCDRO Fc1ccccc1Cn1ccc2c1ncnc2-c1cnn(C2C[NH2+]C2)c1 ZINC001241592311 1314130134 /nfs/dbraw/zinc/13/01/34/1314130134.db2.gz XOCDTZVYMWZNJI-UHFFFAOYSA-N 1 0 348.385 2.627 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CSC)[C@@H](C)C2)cc1C ZINC001044440893 1306509847 /nfs/dbraw/zinc/50/98/47/1306509847.db2.gz KZNIUMZNJLBBEX-GOEBONIOSA-N 1 0 336.501 2.836 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc[nH]n3)[C@H](C)C2)cc1C ZINC001044478916 1306545705 /nfs/dbraw/zinc/54/57/05/1306545705.db2.gz PMNLKAUIFQEWEC-GDBMZVCRSA-N 1 0 342.443 2.510 20 10 EFCDRO CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968684999 1306565707 /nfs/dbraw/zinc/56/57/07/1306565707.db2.gz LNFJNLKZIJEEMS-WFASDCNBSA-N 1 0 331.420 2.699 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cocn3)[C@H](C)C2)cc1C ZINC001044508783 1306572525 /nfs/dbraw/zinc/57/25/25/1306572525.db2.gz ODNYZZPLINGFGU-GDBMZVCRSA-N 1 0 343.427 2.775 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cc(C)no2)cc1C ZINC001044922050 1306928125 /nfs/dbraw/zinc/92/81/25/1306928125.db2.gz UVAHOUBIKIFVMK-INIZCTEOSA-N 1 0 343.427 2.694 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2ccoc2)cc1C ZINC001044922314 1306928221 /nfs/dbraw/zinc/92/82/21/1306928221.db2.gz MGAXOFWJVYWOEC-KRWDZBQOSA-N 1 0 328.412 2.991 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3(F)CCCC3)C2)cc1C ZINC001019067833 1314157332 /nfs/dbraw/zinc/15/73/32/1314157332.db2.gz PSNMIWQZXZWNGH-INIZCTEOSA-N 1 0 334.435 2.976 20 10 EFCDRO CC[C@H](OC)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001044954124 1306951878 /nfs/dbraw/zinc/95/18/78/1306951878.db2.gz BADBUFZDTIXAIC-IRXDYDNUSA-N 1 0 334.460 2.509 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2coc(C)n2)cc1C ZINC001045010521 1306992839 /nfs/dbraw/zinc/99/28/39/1306992839.db2.gz QITKGBJLMNMNGT-INIZCTEOSA-N 1 0 343.427 2.694 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C2(CF)CC2)cc1C ZINC001045193546 1307128864 /nfs/dbraw/zinc/12/88/64/1307128864.db2.gz KBQMAEIOPMINPU-INIZCTEOSA-N 1 0 334.435 2.834 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2OCC[C@H]2C)cc1C ZINC001045207866 1307138281 /nfs/dbraw/zinc/13/82/81/1307138281.db2.gz MTLAKXAIGBJLRI-LJHODMEESA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)Cc2ccco2)cc1C ZINC001045249477 1307174256 /nfs/dbraw/zinc/17/42/56/1307174256.db2.gz ZRZLADIIGQUPRY-KRWDZBQOSA-N 1 0 342.439 2.920 20 10 EFCDRO COC(=O)CO[C@H]1CC[N@H+](Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001209517195 1314178289 /nfs/dbraw/zinc/17/82/89/1314178289.db2.gz ALPBLYZWOBXLDY-IBGZPJMESA-N 1 0 342.439 2.858 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)cc1 ZINC001209516389 1314178508 /nfs/dbraw/zinc/17/85/08/1314178508.db2.gz FKSJIXZMRRXNGG-PMACEKPBSA-N 1 0 328.456 2.659 20 10 EFCDRO O=C(/C=C/c1ccccc1)NCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000800312709 1307690970 /nfs/dbraw/zinc/69/09/70/1307690970.db2.gz OVDWOIWAYAMGQD-CSKARUKUSA-N 1 0 336.435 2.931 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](OC)C3CCC3)C2)cc1C ZINC001019201067 1314216449 /nfs/dbraw/zinc/21/64/49/1314216449.db2.gz WEKJQLITEMYDQZ-PKOBYXMFSA-N 1 0 346.471 2.509 20 10 EFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCC34CCC4)cc2)C1 ZINC000800477279 1307927204 /nfs/dbraw/zinc/92/72/04/1307927204.db2.gz UCCARENGCBWHJT-AEFFLSMTSA-N 1 0 327.472 2.811 20 10 EFCDRO COc1ccc(O)c(C[NH2+]CCCNC(=O)/C=C/c2ccccc2)c1 ZINC000800545141 1308100646 /nfs/dbraw/zinc/10/06/46/1308100646.db2.gz WUDZDVKQMAHYDS-DHZHZOJOSA-N 1 0 340.423 2.710 20 10 EFCDRO C[NH+]1CCC(n2cc(-c3ccn(CC(F)(F)F)c(=O)c3)cn2)CC1 ZINC001242730020 1314229203 /nfs/dbraw/zinc/22/92/03/1314229203.db2.gz CYXGCXCBZOXYLX-UHFFFAOYSA-N 1 0 340.349 2.541 20 10 EFCDRO C[NH+]1CCN(Cc2ccccc2Nc2ccc3c(c2)OCCN3)CC1 ZINC001209766047 1314234373 /nfs/dbraw/zinc/23/43/73/1314234373.db2.gz FMLRRWHNFPQFJQ-UHFFFAOYSA-N 1 0 338.455 2.982 20 10 EFCDRO Cc1ccc(C)c(C[NH2+]C23CC(C(=O)N4CCCCO4)(C2)C3)c1O ZINC001278357058 1314253986 /nfs/dbraw/zinc/25/39/86/1314253986.db2.gz DXNBSCYMMXNWJP-UHFFFAOYSA-N 1 0 330.428 2.575 20 10 EFCDRO Cc1ccc(C)c(C[N@@H+]2CCc3nc(C(=O)N(C)C)ccc3C2)c1O ZINC001278357181 1314254961 /nfs/dbraw/zinc/25/49/61/1314254961.db2.gz GOSBGMLWDRSQHS-UHFFFAOYSA-N 1 0 339.439 2.664 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]CCCOC(F)F)c1O ZINC000800895255 1308634390 /nfs/dbraw/zinc/63/43/90/1308634390.db2.gz JOWWQTAUMKBERJ-UHFFFAOYSA-N 1 0 340.164 2.882 20 10 EFCDRO COc1cccc(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1O ZINC000800901237 1308645354 /nfs/dbraw/zinc/64/53/54/1308645354.db2.gz DLIJOZPRTKFFFH-MRXNPFEDSA-N 1 0 341.411 2.797 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CC4(CC4)C3)C2)cc1C ZINC001019362399 1314293304 /nfs/dbraw/zinc/29/33/04/1314293304.db2.gz QJEXEVLJLLUECN-KRWDZBQOSA-N 1 0 328.456 2.884 20 10 EFCDRO COc1cc(C)c(CN2CC[NH2+][C@H](Cc3ccccc3)C2)c(O)c1 ZINC001210383302 1314324720 /nfs/dbraw/zinc/32/47/20/1314324720.db2.gz NJQUFUWFCJDQJU-QGZVFWFLSA-N 1 0 326.440 2.726 20 10 EFCDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000749572625 1311034081 /nfs/dbraw/zinc/03/40/81/1311034081.db2.gz NMGHRFBYXYWWED-LJQANCHMSA-N 1 0 345.487 2.608 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)C(C)(F)F)C2)cc1C ZINC001047669804 1311058767 /nfs/dbraw/zinc/05/87/67/1311058767.db2.gz CXJDYIQLYCGKBZ-DZGCQCFKSA-N 1 0 340.414 2.985 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[C@@]3(CC[NH2+]3)C2)c2ccccc2n1C ZINC001222287624 1311110184 /nfs/dbraw/zinc/11/01/84/1311110184.db2.gz NVQSRTHNKNUGRB-HXUWFJFHSA-N 1 0 341.455 2.683 20 10 EFCDRO Oc1ccc2cc(Br)ccc2c1CN1CCC12C[NH2+]C2 ZINC001222308762 1311112908 /nfs/dbraw/zinc/11/29/08/1311112908.db2.gz MFJIRQZUJAUMMR-UHFFFAOYSA-N 1 0 333.229 2.856 20 10 EFCDRO Cc1cc(CN2CC3(C2)CCC[NH2+]C3)c(O)cc1Br ZINC001222340343 1311116701 /nfs/dbraw/zinc/11/67/01/1311116701.db2.gz MAOFCIKXIMYZIE-UHFFFAOYSA-N 1 0 325.250 2.649 20 10 EFCDRO Fc1cc(N2CCOCC2)ccc1CN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222390890 1311123713 /nfs/dbraw/zinc/12/37/13/1311123713.db2.gz WPKKSTIEZOFVOG-HXUWFJFHSA-N 1 0 347.478 2.770 20 10 EFCDRO Oc1cccc(Br)c1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222427565 1311129768 /nfs/dbraw/zinc/12/97/68/1311129768.db2.gz SMMGZJLNDIJOLJ-OAHLLOKOSA-N 1 0 325.250 2.873 20 10 EFCDRO COC(=O)c1c(CN2CC[C@]3(C2)CCCC[NH2+]3)c2ccccc2n1C ZINC001222434344 1311130397 /nfs/dbraw/zinc/13/03/97/1311130397.db2.gz HHNMDUGCEWTHQD-FQEVSTJZSA-N 1 0 341.455 2.683 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(CN2CC[C@@H]3[NH2+]CCO[C@H]3C2)cc1 ZINC001222696900 1311174423 /nfs/dbraw/zinc/17/44/23/1311174423.db2.gz PEYMJVRUDACCJQ-PMACEKPBSA-N 1 0 325.456 2.657 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)c3cc[nH]c3)C2)cc1C ZINC001047859380 1311232344 /nfs/dbraw/zinc/23/23/44/1311232344.db2.gz NPFQTSXRMQHGMU-MAUKXSAKSA-N 1 0 341.455 2.972 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)c3cnco3)C2)cc1C ZINC001047922245 1311292180 /nfs/dbraw/zinc/29/21/80/1311292180.db2.gz VDKIDVAIQJOMRQ-GDBMZVCRSA-N 1 0 343.427 2.632 20 10 EFCDRO COc1ccc(N2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1 ZINC001276923986 1311309008 /nfs/dbraw/zinc/30/90/08/1311309008.db2.gz ASGFIASUMOADNF-CALCHBBNSA-N 1 0 326.444 2.767 20 10 EFCDRO COc1ccc(N2CCC[C@@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2)cc1 ZINC001276925278 1311310700 /nfs/dbraw/zinc/31/07/00/1311310700.db2.gz ZVXIDLDYBYBOCR-IBGZPJMESA-N 1 0 326.444 2.911 20 10 EFCDRO COCCOC[N@@H+]1CCC2(C1)CCN(c1ccc(OC)cc1)CC2 ZINC001276927896 1311314514 /nfs/dbraw/zinc/31/45/14/1311314514.db2.gz VXJHBDQFDHIMEF-UHFFFAOYSA-N 1 0 334.460 2.608 20 10 EFCDRO C[C@@H]([NH2+]CC1CC1)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001048067733 1311426724 /nfs/dbraw/zinc/42/67/24/1311426724.db2.gz BKZCTJLAPHPOOW-DOMZBBRYSA-N 1 0 343.431 2.699 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)CC3CC3)C[C@@H]2C)cc1C ZINC001048097336 1311453826 /nfs/dbraw/zinc/45/38/26/1311453826.db2.gz FUZLZAHXCXDRFB-YJBOKZPZSA-N 1 0 330.472 2.988 20 10 EFCDRO COc1ccc(N2CC[C@H]3C[N@H+](Cc4cccc(=O)[nH]4)C[C@H]32)cc1F ZINC001277010906 1311458088 /nfs/dbraw/zinc/45/80/88/1311458088.db2.gz YGIAQIOFXTUSTC-SUMWQHHRSA-N 1 0 343.402 2.646 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CSC)C[C@H]2C)cc1C ZINC001048122873 1311483347 /nfs/dbraw/zinc/48/33/47/1311483347.db2.gz CKFZGRLCNQZMNV-GDBMZVCRSA-N 1 0 336.501 2.551 20 10 EFCDRO CCCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001225227836 1311492098 /nfs/dbraw/zinc/49/20/98/1311492098.db2.gz MPJGDICDVCORSR-QZTJIDSGSA-N 1 0 348.487 2.947 20 10 EFCDRO O=C1Nc2ccc(Nc3ccc4c(c3)CCN4)cc2C12CC[NH2+]CC2 ZINC001159523501 1311533072 /nfs/dbraw/zinc/53/30/72/1311533072.db2.gz OYPLOXRORBBWQQ-UHFFFAOYSA-N 1 0 334.423 2.972 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(NC3=CCC[NH2+]CC3)ccc(O)c21 ZINC001159783250 1311583158 /nfs/dbraw/zinc/58/31/58/1311583158.db2.gz GLJCRMFVTOTUQC-UHFFFAOYSA-N 1 0 334.375 2.847 20 10 EFCDRO CN(C)C(=O)[C@H]1CCC2(C1)CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001277192985 1311782217 /nfs/dbraw/zinc/78/22/17/1311782217.db2.gz WRGJTJDHSJFIDP-AWEZNQCLSA-N 1 0 332.444 2.568 20 10 EFCDRO C[C@@H](NC[C@@H]1CCCCC[NH2+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000902483505 1311784437 /nfs/dbraw/zinc/78/44/37/1311784437.db2.gz QXFVVGCLMCTVCG-WBVHZDCISA-N 1 0 335.467 2.845 20 10 EFCDRO CCc1cc(NCc2c(C)cc(C)cc2O)nc(N2CCOCC2)[nH+]1 ZINC001160810935 1311786668 /nfs/dbraw/zinc/78/66/68/1311786668.db2.gz WWTBKMNQTKPLEC-UHFFFAOYSA-N 1 0 342.443 2.810 20 10 EFCDRO NC(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001277208925 1311806707 /nfs/dbraw/zinc/80/67/07/1311806707.db2.gz AGAWOZBMMOUXTN-AZUAARDMSA-N 1 0 327.472 2.764 20 10 EFCDRO C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C[NH2+]CC1CC1 ZINC001048477468 1311808459 /nfs/dbraw/zinc/80/84/59/1311808459.db2.gz CSGDRHXLBFBDRR-SWLSCSKDSA-N 1 0 343.431 2.557 20 10 EFCDRO CC(C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001048480727 1311812065 /nfs/dbraw/zinc/81/20/65/1311812065.db2.gz VMZVYTJDSVRLPD-TZMCWYRMSA-N 1 0 331.420 2.555 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2C[C@@H]([NH3+])CC(F)(F)C2)c1 ZINC001160971636 1311824584 /nfs/dbraw/zinc/82/45/84/1311824584.db2.gz KWIUZWBVGHPWCO-ZDUSSCGKSA-N 1 0 349.381 2.608 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2[nH]c(C)cc2C)cc1C ZINC001161076547 1311852385 /nfs/dbraw/zinc/85/23/85/1311852385.db2.gz DHQQHEULJBPUND-UHFFFAOYSA-N 1 0 329.444 2.858 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]([NH3+])Cc1ccsc1 ZINC001161132620 1311866036 /nfs/dbraw/zinc/86/60/36/1311866036.db2.gz QAORCPNIPSDHPU-KRWDZBQOSA-N 1 0 331.485 2.733 20 10 EFCDRO C[C@H](C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C(C)(C)C ZINC000802643467 1311874115 /nfs/dbraw/zinc/87/41/15/1311874115.db2.gz KDLRCAXXNCGYHI-OAHLLOKOSA-N 1 0 338.517 2.693 20 10 EFCDRO CC[N@@H+]1CC[C@H](Oc2c(O)c(O)ccc2C(=O)c2ccccc2)C1 ZINC001227937103 1311875986 /nfs/dbraw/zinc/87/59/86/1311875986.db2.gz BHJDEZYDDUWMBQ-AWEZNQCLSA-N 1 0 327.380 2.802 20 10 EFCDRO COc1cccc(C[N@H+](CCNC(C)=O)Cc2ccsc2)c1O ZINC000802652802 1311888436 /nfs/dbraw/zinc/88/84/36/1311888436.db2.gz JVXIXFZONGISSF-UHFFFAOYSA-N 1 0 334.441 2.601 20 10 EFCDRO CCC[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CC(=O)N(C)C1=O ZINC000802656740 1311892018 /nfs/dbraw/zinc/89/20/18/1311892018.db2.gz SZTXAYNPPIZYCO-SFHVURJKSA-N 1 0 343.471 2.646 20 10 EFCDRO O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000802658416 1311892796 /nfs/dbraw/zinc/89/27/96/1311892796.db2.gz ZKCFOGLFBSYPBZ-GOSISDBHSA-N 1 0 342.414 2.855 20 10 EFCDRO COc1cc(N2CC[NH+](Cc3c(O)cccc3OC)CC2)ccc1F ZINC000802659978 1311895189 /nfs/dbraw/zinc/89/51/89/1311895189.db2.gz SWYVXPYBBBWCLY-UHFFFAOYSA-N 1 0 346.402 2.871 20 10 EFCDRO CC(=O)N1CCN(c2ccc(OC3CCC([NH+](C)C)CC3)cc2)CC1 ZINC001228200562 1311913665 /nfs/dbraw/zinc/91/36/65/1311913665.db2.gz HTIGCFKFXIOTON-UHFFFAOYSA-N 1 0 345.487 2.607 20 10 EFCDRO C[C@H](C[N+](C)(C)C)Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001228216605 1311916223 /nfs/dbraw/zinc/91/62/23/1311916223.db2.gz MLAVEQQMLODAQS-GFCCVEGCSA-O 1 0 340.399 2.641 20 10 EFCDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001228216607 1311916409 /nfs/dbraw/zinc/91/64/09/1311916409.db2.gz MLAVEQQMLODAQS-LBPRGKRZSA-O 1 0 340.399 2.641 20 10 EFCDRO COc1cc(CN2CCO[C@@H]3COCC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000902626526 1311955873 /nfs/dbraw/zinc/95/58/73/1311955873.db2.gz ZIJADRCAXUYOAQ-DLBZAZTESA-N 1 0 335.444 2.688 20 10 EFCDRO Cc1cc(O[C@@H](C)C[NH+](C)C)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001229540137 1312111196 /nfs/dbraw/zinc/11/11/96/1312111196.db2.gz BWPGBUHFJRFDJG-LBPRGKRZSA-N 1 0 339.391 2.805 20 10 EFCDRO CCN(C(=O)[C@H]1CCSC12C[NH+](Cc1ccccc1O)C2)C(C)C ZINC001277442237 1312177692 /nfs/dbraw/zinc/17/76/92/1312177692.db2.gz UMZBGGHFCFVKLI-MRXNPFEDSA-N 1 0 348.512 2.957 20 10 EFCDRO CN(C(=O)C12CC([NH2+]Cc3ccccc3O)(C1)C2)C1CC(F)(F)C1 ZINC001277446064 1312189793 /nfs/dbraw/zinc/18/97/93/1312189793.db2.gz LTJVEVJTGXCOSM-UHFFFAOYSA-N 1 0 336.382 2.661 20 10 EFCDRO [NH3+][C@H]1Cc2ccccc2N(c2cccc3c2NC(=O)C32CCOCC2)C1 ZINC001162855200 1312190864 /nfs/dbraw/zinc/19/08/64/1312190864.db2.gz VVJXXGMUWMDAQV-HNNXBMFYSA-N 1 0 349.434 2.708 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC3(CC[C@@H](C(N)=O)C3)CC2)c1O ZINC001277454724 1312231577 /nfs/dbraw/zinc/23/15/77/1312231577.db2.gz YPGMNQSJIAITIE-CQSZACIVSA-N 1 0 332.444 2.659 20 10 EFCDRO CCN(C(=O)C12CC([NH2+]Cc3cc(OC)ccc3O)(C1)C2)C(C)C ZINC001277462124 1312309259 /nfs/dbraw/zinc/30/92/59/1312309259.db2.gz IDFAUODSYJTRSH-UHFFFAOYSA-N 1 0 332.444 2.670 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)NC(C)(C)C)CC2)c1 ZINC001277464011 1312316014 /nfs/dbraw/zinc/31/60/14/1312316014.db2.gz RVQXWHZNXSQSJZ-MRXNPFEDSA-N 1 0 346.471 2.918 20 10 EFCDRO COC[C@H](C)C(=O)NCCC1(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001163785956 1312384264 /nfs/dbraw/zinc/38/42/64/1312384264.db2.gz URPOEOOHFLULOP-INIZCTEOSA-N 1 0 348.487 2.662 20 10 EFCDRO CC(C)N(CCC[NH3+])c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC001164122797 1312452025 /nfs/dbraw/zinc/45/20/25/1312452025.db2.gz OYHKMZHBFSNAKS-UHFFFAOYSA-N 1 0 343.393 2.697 20 10 EFCDRO CC[N@@H+]1CC[C@H](Oc2cc(O)ccc2C(=O)c2ccc(O)c(O)c2)C1 ZINC001231341761 1312480378 /nfs/dbraw/zinc/48/03/78/1312480378.db2.gz QNGMQMXDHJFVPG-AWEZNQCLSA-N 1 0 343.379 2.507 20 10 EFCDRO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000903267892 1312524176 /nfs/dbraw/zinc/52/41/76/1312524176.db2.gz HFJURITYLYJODZ-IIAWOOMASA-N 1 0 348.443 2.603 20 10 EFCDRO COc1ccc(Br)c(C[N@@H+]2CCC[C@@]3(CCO3)C2)c1O ZINC001231554357 1312524348 /nfs/dbraw/zinc/52/43/48/1312524348.db2.gz POOGDAPXUQNPOB-OAHLLOKOSA-N 1 0 342.233 2.918 20 10 EFCDRO COc1ccc(Br)c(C[N@@H+]2CCC[C@H](C(C)=O)C2)c1O ZINC001231558242 1312525107 /nfs/dbraw/zinc/52/51/07/1312525107.db2.gz ZGPFBYALBILMHF-NSHDSACASA-N 1 0 342.233 2.964 20 10 EFCDRO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231565544 1312526591 /nfs/dbraw/zinc/52/65/91/1312526591.db2.gz DVXCPFLNEZOKAM-IRXDYDNUSA-N 1 0 332.444 2.929 20 10 EFCDRO C[C@@H]1CN(C2C[NH+](Cc3c(O)ccc4ccccc43)C2)C[C@H](C)O1 ZINC001231589776 1312528432 /nfs/dbraw/zinc/52/84/32/1312528432.db2.gz QIVYYNPOSXGLLF-GASCZTMLSA-N 1 0 326.440 2.839 20 10 EFCDRO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1c(O)ccc2ccccc21 ZINC001231590057 1312528778 /nfs/dbraw/zinc/52/87/78/1312528778.db2.gz HBOWOTGAXRYKFB-PHZGNYQRSA-N 1 0 341.407 2.698 20 10 EFCDRO COc1cc(CN2CC[NH+](CCc3cccs3)CC2)c(O)cc1O ZINC001231635740 1312535899 /nfs/dbraw/zinc/53/58/99/1312535899.db2.gz JEBKGHUWLOOSBV-UHFFFAOYSA-N 1 0 348.468 2.528 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)[C@H](C)C2)c(O)cc1O ZINC001231635129 1312536082 /nfs/dbraw/zinc/53/60/82/1312536082.db2.gz WBOFKGOTJGQCCB-MEBBXXQBSA-N 1 0 349.349 2.632 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H]2COCc2ccccc2)c(O)cc1O ZINC001231634966 1312536107 /nfs/dbraw/zinc/53/61/07/1312536107.db2.gz CBEJPSGZMCUPOY-INIZCTEOSA-N 1 0 329.396 2.898 20 10 EFCDRO COc1cc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)c(O)cc1O ZINC001231635716 1312536256 /nfs/dbraw/zinc/53/62/56/1312536256.db2.gz IXNBMCWZXIEAGF-UHFFFAOYSA-N 1 0 342.439 2.733 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3ncccc3C)C2)c(O)cc1O ZINC001231639762 1312537961 /nfs/dbraw/zinc/53/79/61/1312537961.db2.gz JERANIVHRMSZMB-OAHLLOKOSA-N 1 0 344.411 2.853 20 10 EFCDRO COc1cc(C[NH+]2CCN(c3cccc(F)c3)CC2)c(O)cc1O ZINC001231641060 1312538706 /nfs/dbraw/zinc/53/87/06/1312538706.db2.gz YJWASGIDUVGJQE-UHFFFAOYSA-N 1 0 332.375 2.568 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CC=CC3)C2)c(Cl)c1 ZINC001277550968 1312549535 /nfs/dbraw/zinc/54/95/35/1312549535.db2.gz IAEFXPGBBWOMNS-DNVCBOLYSA-N 1 0 345.874 2.626 20 10 EFCDRO CN(C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc(N(C)C)cc1Cl ZINC001277552291 1312551729 /nfs/dbraw/zinc/55/17/29/1312551729.db2.gz XHGGEOHDKJWQEV-XLQHLMKVSA-N 1 0 349.906 2.999 20 10 EFCDRO Cc1cc(C)c(C[NH+]2CCN(c3nccc(Cl)n3)CC2)c(O)c1 ZINC001231847305 1312573185 /nfs/dbraw/zinc/57/31/85/1312573185.db2.gz WHLOHCDCIOBWNU-UHFFFAOYSA-N 1 0 332.835 2.775 20 10 EFCDRO COc1cnc(OC2CC[NH+](Cc3c(C)cc(C)cc3O)CC2)nc1 ZINC001231847659 1312573757 /nfs/dbraw/zinc/57/37/57/1312573757.db2.gz BZSQXIAPAMKJLN-UHFFFAOYSA-N 1 0 343.427 2.851 20 10 EFCDRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(N(C)C)cc1OC)C2 ZINC001231851596 1312573897 /nfs/dbraw/zinc/57/38/97/1312573897.db2.gz AEOZFLBAHFIAKF-PMACEKPBSA-N 1 0 348.487 2.779 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCc2cc(CO)ccc2C1 ZINC001231848892 1312573967 /nfs/dbraw/zinc/57/39/67/1312573967.db2.gz KUNZLFSQFAFZIG-UHFFFAOYSA-N 1 0 326.440 2.812 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C)[C@](O)(C(F)(F)F)C1 ZINC001231848457 1312573984 /nfs/dbraw/zinc/57/39/84/1312573984.db2.gz HFCPXBKXTQINRA-WBMJQRKESA-N 1 0 346.393 2.896 20 10 EFCDRO Cc1cc(C)c(C[NH+]2CCC(NC(=O)c3ccccn3)CC2)c(O)c1 ZINC001231848525 1312574016 /nfs/dbraw/zinc/57/40/16/1312574016.db2.gz IZKAZGRBZQVVKW-UHFFFAOYSA-N 1 0 339.439 2.798 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@H+](C)CCc1noc(C(C)C)n1 ZINC001231848141 1312574441 /nfs/dbraw/zinc/57/44/41/1312574441.db2.gz GWEUBUTWSXSUEP-UHFFFAOYSA-N 1 0 332.448 2.942 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@H+](C)CCNC(=O)OC(C)(C)C ZINC001231849443 1312574479 /nfs/dbraw/zinc/57/44/79/1312574479.db2.gz SZGXWSQWSFZHLF-UHFFFAOYSA-N 1 0 337.464 2.718 20 10 EFCDRO CCc1ncnc2c1CC[N@H+](Cc1ccc(N(C)C)cc1OC)CC2 ZINC001231853204 1312574877 /nfs/dbraw/zinc/57/48/77/1312574877.db2.gz VTRKLICBRQXKEX-UHFFFAOYSA-N 1 0 340.471 2.714 20 10 EFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(c2ncccn2)CC1 ZINC001231853121 1312575067 /nfs/dbraw/zinc/57/50/67/1312575067.db2.gz FVQNILAGVJQEPM-UHFFFAOYSA-N 1 0 326.444 2.931 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](Oc2cnccn2)C1 ZINC001231854274 1312575220 /nfs/dbraw/zinc/57/52/20/1312575220.db2.gz BVEHNUWZBOCNHB-KRWDZBQOSA-N 1 0 342.443 2.595 20 10 EFCDRO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231855740 1312575386 /nfs/dbraw/zinc/57/53/86/1312575386.db2.gz GZNUOJRRNPFDCH-MRXNPFEDSA-N 1 0 334.460 2.926 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001231858614 1312576130 /nfs/dbraw/zinc/57/61/30/1312576130.db2.gz XBDPJZMNTVSHMG-KRWDZBQOSA-N 1 0 327.428 2.810 20 10 EFCDRO Cc1cc(O)c(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)cc1Cl ZINC001231867120 1312577578 /nfs/dbraw/zinc/57/75/78/1312577578.db2.gz LLGSDJNYVDSZEO-HUUCEWRRSA-N 1 0 344.846 2.712 20 10 EFCDRO Cc1cc(O)c(CN2Cc3nccn3C[C@@H](C[NH+](C)C)C2)cc1Cl ZINC001231867420 1312578422 /nfs/dbraw/zinc/57/84/22/1312578422.db2.gz MTXKJWYGFQETJE-AWEZNQCLSA-N 1 0 348.878 2.744 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)cc1Cl ZINC001231869559 1312578591 /nfs/dbraw/zinc/57/85/91/1312578591.db2.gz QSWYKZAWHMOCTL-YXJHDRRASA-N 1 0 337.847 2.980 20 10 EFCDRO Cc1cc(O)c(CN2CC[NH+](CCC(C)(C)O)CC2)cc1Cl ZINC001231872004 1312578694 /nfs/dbraw/zinc/57/86/94/1312578694.db2.gz VBWVUFPYQICLKJ-UHFFFAOYSA-N 1 0 326.868 2.633 20 10 EFCDRO CCN1CCO[C@@H]2C[N@H+](Cc3ccc4ccccc4c3O)C[C@@H]2C1 ZINC001231881224 1312579871 /nfs/dbraw/zinc/57/98/71/1312579871.db2.gz WVEXMGWUILLPIU-PKOBYXMFSA-N 1 0 326.440 2.698 20 10 EFCDRO Oc1c(C[N@@H+]2CCOC[C@@](O)(C(F)(F)F)C2)ccc2ccccc21 ZINC001231879537 1312580114 /nfs/dbraw/zinc/58/01/14/1312580114.db2.gz HKUZRCNWTJKNLH-MRXNPFEDSA-N 1 0 341.329 2.671 20 10 EFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(O)CCC3(CC2)OCCO3)cc1 ZINC000903375104 1312610846 /nfs/dbraw/zinc/61/08/46/1312610846.db2.gz QSVHVLKWBDINDH-MRXNPFEDSA-N 1 0 348.487 2.842 20 10 EFCDRO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)C1=O ZINC000903392347 1312627341 /nfs/dbraw/zinc/62/73/41/1312627341.db2.gz QVGNUUPDTHQWPX-GXFFZTMASA-N 1 0 341.249 2.816 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[C@H](OC)C2)cc1C ZINC001165426735 1312628365 /nfs/dbraw/zinc/62/83/65/1312628365.db2.gz ZKIDFNIRWBDVLP-ROUUACIJSA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2Cc3ccccc32)cc1C ZINC001165507725 1312639709 /nfs/dbraw/zinc/63/97/09/1312639709.db2.gz PTFIKRQAFKMLCZ-IBGZPJMESA-N 1 0 338.451 2.939 20 10 EFCDRO Clc1cc(C[N@@H+]2CCC[C@@]23CCOC3)ccc1N1CCOCC1 ZINC001232200372 1312646781 /nfs/dbraw/zinc/64/67/81/1312646781.db2.gz UVHQFVFEAHLHSJ-SFHVURJKSA-N 1 0 336.863 2.932 20 10 EFCDRO CC[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)CC(C)(C)O ZINC001232200088 1312647070 /nfs/dbraw/zinc/64/70/70/1312647070.db2.gz PHDASYYJHRBZBR-UHFFFAOYSA-N 1 0 326.868 2.769 20 10 EFCDRO CN(CC[NH+]1CCCC1)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232199773 1312647277 /nfs/dbraw/zinc/64/72/77/1312647277.db2.gz JPOYBCGPVMOOCU-UHFFFAOYSA-N 1 0 337.895 2.704 20 10 EFCDRO CC[NH+]1C[C@@H]2CN(Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@H]2C1 ZINC001232201266 1312647726 /nfs/dbraw/zinc/64/77/26/1312647726.db2.gz ITTMLQKYLFQLOJ-IAGOWNOFSA-N 1 0 349.906 2.560 20 10 EFCDRO CC[N@@H+]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)[C@H](C)C1 ZINC001232204805 1312648479 /nfs/dbraw/zinc/64/84/79/1312648479.db2.gz ZFMMBGZHJBIRGB-OAHLLOKOSA-N 1 0 337.895 2.703 20 10 EFCDRO Oc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)cc1Cl ZINC001232260109 1312660114 /nfs/dbraw/zinc/66/01/14/1312660114.db2.gz OYMJNDFLQOZILB-JKSUJKDBSA-N 1 0 333.815 2.929 20 10 EFCDRO C[C@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CC[C@@]1(O)C(F)(F)F ZINC001232258958 1312660168 /nfs/dbraw/zinc/66/01/68/1312660168.db2.gz FKPZNVDYQGPPSY-SDBXPKJASA-N 1 0 339.741 2.886 20 10 EFCDRO CC(=O)N1CCC2(C1)CC[NH+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232257883 1312660242 /nfs/dbraw/zinc/66/02/42/1312660242.db2.gz KVQRAKFZGPCQBN-UHFFFAOYSA-N 1 0 338.835 2.586 20 10 EFCDRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232260302 1312660248 /nfs/dbraw/zinc/66/02/48/1312660248.db2.gz VAWJRHNXGKBITF-IRXDYDNUSA-N 1 0 341.835 2.769 20 10 EFCDRO CC[C@@H]1[N@H+](Cc2cc(Cl)c(O)cc2O)CCC[C@]12CCC(=O)N2 ZINC001232259771 1312660473 /nfs/dbraw/zinc/66/04/73/1312660473.db2.gz JCNZGEOXGWCQGO-RDJZCZTQSA-N 1 0 338.835 2.774 20 10 EFCDRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232260303 1312660460 /nfs/dbraw/zinc/66/04/60/1312660460.db2.gz VAWJRHNXGKBITF-SJORKVTESA-N 1 0 341.835 2.769 20 10 EFCDRO O=C(C1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1)N1CCCC1 ZINC001232267046 1312662312 /nfs/dbraw/zinc/66/23/12/1312662312.db2.gz HZGFUBVHSROGTE-UHFFFAOYSA-N 1 0 338.835 2.586 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC(Oc3ncccn3)CC2)cc1Cl ZINC001232268780 1312662446 /nfs/dbraw/zinc/66/24/46/1312662446.db2.gz RNMVLVLJSOXQTH-UHFFFAOYSA-N 1 0 335.791 2.585 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC3(CCC(=O)O3)CC2)cc1Cl ZINC001232269777 1312662492 /nfs/dbraw/zinc/66/24/92/1312662492.db2.gz KPKLNZOUCCTOCU-UHFFFAOYSA-N 1 0 325.792 2.726 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC(N3CC(F)(F)C3)CC2)cc1Cl ZINC001232269131 1312662684 /nfs/dbraw/zinc/66/26/84/1312662684.db2.gz WMTSWLRAWRBQMC-UHFFFAOYSA-N 1 0 332.778 2.667 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(c3nncn3C)CC2)cc1Cl ZINC001232269778 1312662689 /nfs/dbraw/zinc/66/26/89/1312662689.db2.gz KQEXKYMHWHTHLE-UHFFFAOYSA-N 1 0 336.823 2.562 20 10 EFCDRO CCC(=O)N(C)C1CC[NH+](Cc2cc(Cl)c(OC)cc2O)CC1 ZINC001232270867 1312663375 /nfs/dbraw/zinc/66/33/75/1312663375.db2.gz LFNUPCKHJNGUBT-UHFFFAOYSA-N 1 0 340.851 2.887 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCC3(C2)OCCO3)cc1Cl ZINC001232271131 1312663464 /nfs/dbraw/zinc/66/34/64/1312663464.db2.gz NXEWPFRGYOAOKG-LBPRGKRZSA-N 1 0 327.808 2.782 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(Oc3ncccn3)CC2)cc1Cl ZINC001232270219 1312663523 /nfs/dbraw/zinc/66/35/23/1312663523.db2.gz YTEPNCYRTFSYPM-UHFFFAOYSA-N 1 0 349.818 2.888 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3nccnc3C)C2)cc1Cl ZINC001232270456 1312663634 /nfs/dbraw/zinc/66/36/34/1312663634.db2.gz BVKQDMRYUBPISM-CYBMUJFWSA-N 1 0 349.818 2.806 20 10 EFCDRO CCCC[NH2+][C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001211344291 1314480700 /nfs/dbraw/zinc/48/07/00/1314480700.db2.gz AGBCKACEJJSOPL-HNNXBMFYSA-N 1 0 331.420 2.843 20 10 EFCDRO Fc1cc(N2CCOCC2)ccc1C1=CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001245423329 1314487760 /nfs/dbraw/zinc/48/77/60/1314487760.db2.gz BJMDVDZTTBJABK-QGZVFWFLSA-N 1 0 346.446 2.930 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCC[N@H+](CCCF)CC2)cc1 ZINC001052963888 1314523256 /nfs/dbraw/zinc/52/32/56/1314523256.db2.gz ABTMNNUPQYWRSF-AWEZNQCLSA-N 1 0 349.410 2.793 20 10 EFCDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001052965159 1314523526 /nfs/dbraw/zinc/52/35/26/1314523526.db2.gz MVATWYFHFIKNAH-AWEZNQCLSA-N 1 0 331.420 2.842 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3c(C)noc3C)C2)cc1C ZINC001019981881 1314555363 /nfs/dbraw/zinc/55/53/63/1314555363.db2.gz UJOVUHZBNDWTLH-WKILWMFISA-N 1 0 343.427 2.659 20 10 EFCDRO O=C(c1ccccc1F)c1cc(Cl)ccc1NC[C@@]1(O)CC[NH2+]C1 ZINC001245962855 1314556496 /nfs/dbraw/zinc/55/64/96/1314556496.db2.gz PLUSBWQSNHHMRU-GOSISDBHSA-N 1 0 348.805 2.846 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(F)nc3)C2)cc1C ZINC001020031068 1314577026 /nfs/dbraw/zinc/57/70/26/1314577026.db2.gz HKZFORXDLNPBLW-WKILWMFISA-N 1 0 343.402 2.588 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3oc(C)nc3C)C2)cc1C ZINC001020047203 1314584548 /nfs/dbraw/zinc/58/45/48/1314584548.db2.gz BKGVNVOFBJJKQR-WKILWMFISA-N 1 0 343.427 2.659 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3[nH]ccc3C)C2)cc1C ZINC001020120849 1314619536 /nfs/dbraw/zinc/61/95/36/1314619536.db2.gz XQTTVXDLNMYQGF-WKILWMFISA-N 1 0 327.428 2.691 20 10 EFCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CN1 ZINC001246522425 1314641837 /nfs/dbraw/zinc/64/18/37/1314641837.db2.gz CMOYYURMOPYNCK-XUWXXGDYSA-N 1 0 346.471 2.516 20 10 EFCDRO C[C@@H]1CC[C@H](N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C[NH2+]1 ZINC001246997193 1314727614 /nfs/dbraw/zinc/72/76/14/1314727614.db2.gz ROMGJOLNJMTKKB-HIFRSBDPSA-N 1 0 343.393 2.848 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H](N)CCC[NH3+])n2)cc1 ZINC001247510088 1314795334 /nfs/dbraw/zinc/79/53/34/1314795334.db2.gz XXDWJSZJUACKME-INIZCTEOSA-N 1 0 325.416 2.883 20 10 EFCDRO COC1(Cc2nc(-c3ccc(-n4c(C)ccc4C)cc3)no2)C[NH2+]C1 ZINC001247765099 1314837584 /nfs/dbraw/zinc/83/75/84/1314837584.db2.gz CMDBJKAXOIEINN-UHFFFAOYSA-N 1 0 338.411 2.675 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@]34C[NH2+]C[C@@H]3CCN4)n2)cc1 ZINC001247834723 1314849865 /nfs/dbraw/zinc/84/98/65/1314849865.db2.gz ILJKZIBABKBHKP-JXFKEZNVSA-N 1 0 349.438 2.552 20 10 EFCDRO C[NH+](C)Cc1ccc(-c2noc(Cc3ccc(O)c(O)c3)n2)cc1 ZINC001247959262 1314874315 /nfs/dbraw/zinc/87/43/15/1314874315.db2.gz OJTXTHPKCPUVDE-UHFFFAOYSA-N 1 0 325.368 2.800 20 10 EFCDRO COC[C@H](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001216150226 1314918918 /nfs/dbraw/zinc/91/89/18/1314918918.db2.gz XUUZCYCKAFZAJR-QGPMSJSTSA-N 1 0 348.487 2.613 20 10 EFCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)cc1Cl ZINC001248879700 1314990125 /nfs/dbraw/zinc/99/01/25/1314990125.db2.gz CINVORAKKUPZPE-WMZOPIPTSA-N 1 0 341.879 2.908 20 10 EFCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)cc1Cl ZINC001248880537 1314990782 /nfs/dbraw/zinc/99/07/82/1314990782.db2.gz KYDHYHVHPVDAMM-WFASDCNBSA-N 1 0 327.852 2.518 20 10 EFCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)cc1Cl ZINC001248881078 1314990820 /nfs/dbraw/zinc/99/08/20/1314990820.db2.gz PRXWOCVBRJQUPE-MEDUHNTESA-N 1 0 327.852 2.518 20 10 EFCDRO CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001216894324 1315020247 /nfs/dbraw/zinc/02/02/47/1315020247.db2.gz ORBWEENSPUTPNX-OSAQELSMSA-N 1 0 349.410 2.647 20 10 EFCDRO CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001216899037 1315021052 /nfs/dbraw/zinc/02/10/52/1315021052.db2.gz QLNXUKRHPZWCJF-IUODEOHRSA-N 1 0 331.420 2.699 20 10 EFCDRO COc1cc(-c2nc(-c3ccc(C[NH+](C)C)cc3)no2)cc(O)c1O ZINC001216944272 1315024677 /nfs/dbraw/zinc/02/46/77/1315024677.db2.gz LJISSMGHAXXXEJ-UHFFFAOYSA-N 1 0 341.367 2.885 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](C)C(F)(F)CC2)c(O)c1 ZINC001249171870 1315028568 /nfs/dbraw/zinc/02/85/68/1315028568.db2.gz GVQCACGVDGHWQG-GFCCVEGCSA-N 1 0 327.371 2.975 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c(O)c1 ZINC001249173669 1315029469 /nfs/dbraw/zinc/02/94/69/1315029469.db2.gz UXRHPQNCXQCGLM-KRWDZBQOSA-N 1 0 326.396 2.840 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)c(O)c1 ZINC001249178790 1315029612 /nfs/dbraw/zinc/02/96/12/1315029612.db2.gz VUUPXDARYHDTNS-AWEZNQCLSA-N 1 0 331.334 2.677 20 10 EFCDRO COC(=O)Cc1ccc(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(O)c1 ZINC001249179078 1315030090 /nfs/dbraw/zinc/03/00/90/1315030090.db2.gz ZYYMSEDJNUAAIP-OKILXGFUSA-N 1 0 325.355 2.585 20 10 EFCDRO CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(CC(=O)OC)cc1O)C2 ZINC001249184607 1315030739 /nfs/dbraw/zinc/03/07/39/1315030739.db2.gz CGXANFBLXVXLMK-XLIONFOSSA-N 1 0 347.455 2.746 20 10 EFCDRO CCCCCC[NH+]1CCN(Cc2ccc(CC(=O)OC)cc2O)CC1 ZINC001249201317 1315032865 /nfs/dbraw/zinc/03/28/65/1315032865.db2.gz OBDXYVRIDBCLRP-UHFFFAOYSA-N 1 0 348.487 2.806 20 10 EFCDRO COC(=O)Cc1ccc(C[NH+]2CCC3(CCOCC3)CC2)c(O)c1 ZINC001249207918 1315033204 /nfs/dbraw/zinc/03/32/04/1315033204.db2.gz MGZRZLYJSKKPEE-UHFFFAOYSA-N 1 0 333.428 2.500 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c(O)c1 ZINC001249201118 1315033218 /nfs/dbraw/zinc/03/32/18/1315033218.db2.gz GHORJVBKQCPTBD-GOSISDBHSA-N 1 0 341.407 2.761 20 10 EFCDRO COC(=O)Cc1ccc(CN2CCCC[C@@H]2C[NH+]2CCCC2)c(O)c1 ZINC001249201243 1315033239 /nfs/dbraw/zinc/03/32/39/1315033239.db2.gz LVWCTXIQBCZZTP-GOSISDBHSA-N 1 0 346.471 2.558 20 10 EFCDRO COC(=O)Cc1ccc(CN2CCC(C)([NH+]3CCCC3)CC2)c(O)c1 ZINC001249217105 1315033912 /nfs/dbraw/zinc/03/39/12/1315033912.db2.gz MPSPLTAANPFHTI-UHFFFAOYSA-N 1 0 346.471 2.558 20 10 EFCDRO Cc1nc(CC[N@@H+](C)Cc2ccc3c(c2O)C=CC(C)(C)O3)no1 ZINC001249224194 1315034333 /nfs/dbraw/zinc/03/43/33/1315034333.db2.gz ULRNMEZGGHIOBF-UHFFFAOYSA-N 1 0 329.400 2.942 20 10 EFCDRO CC1(C)C=Cc2c(O)c(C[NH+]3CCC4(CNC(=O)C4)CC3)ccc2O1 ZINC001249223643 1315034437 /nfs/dbraw/zinc/03/44/37/1315034437.db2.gz KUFOJOFRMICRBE-UHFFFAOYSA-N 1 0 342.439 2.679 20 10 EFCDRO CC(C)(C)[N@@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)C[C@@H](O)CO ZINC001249230457 1315036098 /nfs/dbraw/zinc/03/60/98/1315036098.db2.gz HVCHBKOEPRHORF-CQSZACIVSA-N 1 0 335.444 2.530 20 10 EFCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCO[C@@]4(CCOC4)C3)ccc2O1 ZINC001249230367 1315036254 /nfs/dbraw/zinc/03/62/54/1315036254.db2.gz FBQCKGSLMHTWOX-IBGZPJMESA-N 1 0 331.412 2.568 20 10 EFCDRO CC1(C)C=Cc2c(O)c(C[NH+]3CCC4(CC3)OCCO4)ccc2O1 ZINC001249230892 1315036377 /nfs/dbraw/zinc/03/63/77/1315036377.db2.gz XAWPVNZERSCADG-UHFFFAOYSA-N 1 0 331.412 2.915 20 10 EFCDRO COC(=O)C[C@H]1CC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249259415 1315040685 /nfs/dbraw/zinc/04/06/85/1315040685.db2.gz XMEACVLGSNOCBI-CYBMUJFWSA-N 1 0 331.412 2.961 20 10 EFCDRO COc1c(F)c(F)ccc1-c1noc(C[C@@H]([NH3+])c2ccccc2O)n1 ZINC001249339064 1315056197 /nfs/dbraw/zinc/05/61/97/1315056197.db2.gz HDVVKGZYPOWJNE-GFCCVEGCSA-N 1 0 347.321 2.972 20 10 EFCDRO CC(C)C[C@H]([NH3+])[C@H](O)Cc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217742570 1315108288 /nfs/dbraw/zinc/10/82/88/1315108288.db2.gz YCNBSZVYQLKJAL-DLBZAZTESA-N 1 0 340.427 2.804 20 10 EFCDRO O=C1c2cccc(O[C@H]3CCCC[NH2+]C3)c2C(=O)c2cccc(O)c21 ZINC001217969616 1315126599 /nfs/dbraw/zinc/12/65/99/1315126599.db2.gz ACMIAYOSPNOKNR-LBPRGKRZSA-N 1 0 337.375 2.689 20 10 EFCDRO O=C(c1ccccc1)c1ccc(O)c(O)c1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217978600 1315128538 /nfs/dbraw/zinc/12/85/38/1315128538.db2.gz QQPVBUNOJFVYOH-HOCLYGCPSA-N 1 0 345.370 2.798 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@H]3C[NH2+]CCC[C@H]3F)ccc21 ZINC001217981770 1315129009 /nfs/dbraw/zinc/12/90/09/1315129009.db2.gz PZMPGZFBIDANBU-MSOLQXFVSA-N 1 0 339.366 2.931 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3CC[NH2+]CC[C@H]3F)ccc21 ZINC001218027458 1315136164 /nfs/dbraw/zinc/13/61/64/1315136164.db2.gz ZILYOOSKWOTGLZ-QZTJIDSGSA-N 1 0 339.366 2.931 20 10 EFCDRO C[C@@H]1C[C@H](Oc2ccc(O)c3c2C(=O)c2ccccc2C3=O)CC[NH2+]1 ZINC001218056501 1315140932 /nfs/dbraw/zinc/14/09/32/1315140932.db2.gz OMSMGASPDDEBQX-VXGBXAGGSA-N 1 0 337.375 2.687 20 10 EFCDRO C[C@@H]1C[C@@H](Oc2c(O)ccc3c2C(=O)c2ccccc2C3=O)CC[NH2+]1 ZINC001218058038 1315140968 /nfs/dbraw/zinc/14/09/68/1315140968.db2.gz VQDKPNXBHZJKKZ-NEPJUHHUSA-N 1 0 337.375 2.687 20 10 EFCDRO COc1cccc(O)c1Nc1cc[nH+]cc1CNC(=O)OC(C)(C)C ZINC001249823180 1315142370 /nfs/dbraw/zinc/14/23/70/1315142370.db2.gz REEGJFOJQJKOHT-UHFFFAOYSA-N 1 0 345.399 2.986 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CC[C@@]34CC[NH2+]C4)ccc(O)c21 ZINC001218119217 1315151884 /nfs/dbraw/zinc/15/18/84/1315151884.db2.gz RMRNCWQIWOKQRB-IERDGZPVSA-N 1 0 349.386 2.689 20 10 EFCDRO O=C1c2cccc(O[C@H]3C[C@H]4C[NH2+]C[C@H]4C3)c2C(=O)c2cccc(O)c21 ZINC001218135325 1315154025 /nfs/dbraw/zinc/15/40/25/1315154025.db2.gz UPZRCDMAQALKEE-CLLJXQQHSA-N 1 0 349.386 2.544 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3CCC4(C[NH2+]C4)C3)cccc21 ZINC001218234576 1315168083 /nfs/dbraw/zinc/16/80/83/1315168083.db2.gz IDYOZIFDSLDMIK-ZDUSSCGKSA-N 1 0 333.387 2.983 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@H]3CCC4(C[NH2+]C4)C3)ccc21 ZINC001218238885 1315168784 /nfs/dbraw/zinc/16/87/84/1315168784.db2.gz RSZRXHZJOCWXOE-AWEZNQCLSA-N 1 0 333.387 2.983 20 10 EFCDRO O=C1c2cccc(O[C@H]3CCC4(C[NH2+]C4)C3)c2C(=O)c2cccc(O)c21 ZINC001218238269 1315168863 /nfs/dbraw/zinc/16/88/63/1315168863.db2.gz PDTRCYGJWPUXFN-LBPRGKRZSA-N 1 0 349.386 2.689 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3C[C@@H]4CC[NH2+][C@H]4C3)ccc(O)c21 ZINC001218247792 1315170430 /nfs/dbraw/zinc/17/04/30/1315170430.db2.gz FAEYPQHQPWCAOW-ZOWXZIJZSA-N 1 0 349.386 2.687 20 10 EFCDRO Cc1cc(CN2CCC[C@@H]3C[N@@H+](C)C[C@@H]32)c(O)cc1Br ZINC001250128836 1315176557 /nfs/dbraw/zinc/17/65/57/1315176557.db2.gz MBHAACIHTSXXIE-DOMZBBRYSA-N 1 0 339.277 2.989 20 10 EFCDRO Cc1cc(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c(O)cc1Br ZINC001250128916 1315176662 /nfs/dbraw/zinc/17/66/62/1315176662.db2.gz POZJSDKHEFQSKF-TXEJJXNPSA-N 1 0 327.266 2.988 20 10 EFCDRO Cc1cc(CN2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c(O)cc1Br ZINC001250132984 1315177220 /nfs/dbraw/zinc/17/72/20/1315177220.db2.gz GGNXXBZKBYNCEQ-DOMZBBRYSA-N 1 0 339.277 2.989 20 10 EFCDRO Cc1cc(CN2CCCC3(C2)OCCO3)c(O)cc1Br ZINC001250133761 1315177561 /nfs/dbraw/zinc/17/75/61/1315177561.db2.gz ROTQOSGWVSBEJK-UHFFFAOYSA-N 1 0 342.233 2.802 20 10 EFCDRO COC(=O)C[C@H]1CCC[C@@H](Oc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218341344 1315182058 /nfs/dbraw/zinc/18/20/58/1315182058.db2.gz MMBQULGTUUNALC-MAUKXSAKSA-N 1 0 332.444 2.597 20 10 EFCDRO C[C@H]1CC[C@H](Oc2ccc(O)c3c2C(=O)c2ccccc2C3=O)C[NH2+]1 ZINC001218400752 1315189831 /nfs/dbraw/zinc/18/98/31/1315189831.db2.gz WBGZJMQBTLLYQB-RYUDHWBXSA-N 1 0 337.375 2.687 20 10 EFCDRO C[C@H]1C[NH2+]CC[C@H]1Oc1cccc2c1C(=O)c1c(O)cccc1C2=O ZINC001218419518 1315193205 /nfs/dbraw/zinc/19/32/05/1315193205.db2.gz NOWWQBBDHJBWBH-XHDPSFHLSA-N 1 0 337.375 2.544 20 10 EFCDRO COC(=O)CC1CCC(Oc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001218440285 1315195766 /nfs/dbraw/zinc/19/57/66/1315195766.db2.gz HJZSZHUKHJZHNA-UHFFFAOYSA-N 1 0 332.444 2.597 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CC[C@H]4C[NH2+]C[C@@H]43)ccc(O)c21 ZINC001218461362 1315200404 /nfs/dbraw/zinc/20/04/04/1315200404.db2.gz RDQXRXQAGAAAIX-HZUKXOBISA-N 1 0 349.386 2.544 20 10 EFCDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1c(O)ccc2c1C(=O)c1ccccc1C2=O ZINC001218481997 1315202857 /nfs/dbraw/zinc/20/28/57/1315202857.db2.gz YMBUNIXHMWLUIH-BZNIZROVSA-N 1 0 337.375 2.544 20 10 EFCDRO N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)C1CC2(C[NH2+]C2)C1 ZINC001218580898 1315217779 /nfs/dbraw/zinc/21/77/79/1315217779.db2.gz BVFNMDZSHAAZRU-ZKOQEHJTSA-N 1 0 336.399 2.605 20 10 EFCDRO C[NH+]1CCN(c2ccc(-c3nc4cc5c(cc4[nH]3)CCO5)cc2)CC1 ZINC001250772987 1315262392 /nfs/dbraw/zinc/26/23/92/1315262392.db2.gz GHHWRZJWGMCNPB-UHFFFAOYSA-N 1 0 334.423 2.917 20 10 EFCDRO CC(C)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(O)cc2O)cc1 ZINC001250777799 1315263396 /nfs/dbraw/zinc/26/33/96/1315263396.db2.gz NVMMTHVMTKMYPN-KRWDZBQOSA-N 1 0 331.412 2.751 20 10 EFCDRO Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)cc1 ZINC001218955736 1315264004 /nfs/dbraw/zinc/26/40/04/1315264004.db2.gz OZAOQSDFZZOKCT-YJBOKZPZSA-N 1 0 327.403 2.892 20 10 EFCDRO CC(C)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(O)c(O)c2)cc1 ZINC001250782418 1315264206 /nfs/dbraw/zinc/26/42/06/1315264206.db2.gz FZTHHMITUQCDKO-MRXNPFEDSA-N 1 0 331.412 2.751 20 10 EFCDRO CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)c(O)c1 ZINC001276804379 1315305972 /nfs/dbraw/zinc/30/59/72/1315305972.db2.gz BBPIDWBVHPTARO-IRXDYDNUSA-N 1 0 331.460 2.721 20 10 EFCDRO CCOC(=O)C1CCC(O)(C[N@H+](CC)Cc2ccccc2O)CC1 ZINC001251061570 1315316575 /nfs/dbraw/zinc/31/65/75/1315316575.db2.gz SNDDPHUJNNYHBB-UHFFFAOYSA-N 1 0 335.444 2.699 20 10 EFCDRO CCOC(=O)C1CCC(O)(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001251074684 1315318838 /nfs/dbraw/zinc/31/88/38/1315318838.db2.gz XSMHLXLTSGUCND-UHFFFAOYSA-N 1 0 335.444 2.578 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)NC[C@@]2(F)CCC[NH2+]C2)c1 ZINC001219770676 1315345218 /nfs/dbraw/zinc/34/52/18/1315345218.db2.gz CKTOKMPCZWSBQK-LJQANCHMSA-N 1 0 345.418 2.621 20 10 EFCDRO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2cc(Cl)c3cccnc3c2O)C1 ZINC001220212728 1315385709 /nfs/dbraw/zinc/38/57/09/1315385709.db2.gz UGBHUJUHOJPYCK-YGRLFVJLSA-N 1 0 333.819 2.598 20 10 EFCDRO [NH3+]CC1CCC(C(=O)NCc2cc(Cl)c3cccnc3c2O)CC1 ZINC001220212503 1315385768 /nfs/dbraw/zinc/38/57/68/1315385768.db2.gz MBSQUUOVBPNPGO-UHFFFAOYSA-N 1 0 347.846 2.975 20 10 EFCDRO CC[C@H](C)[C@@H]([NH3+])CC(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212525 1315385924 /nfs/dbraw/zinc/38/59/24/1315385924.db2.gz MSYCZOPQIXTYQL-HZMBPMFUSA-N 1 0 335.835 2.974 20 10 EFCDRO Oc1cc2ccccc2cc1C[NH+]1CC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001276812409 1315399149 /nfs/dbraw/zinc/39/91/49/1315399149.db2.gz FRXVOWQGRHFZHA-UHFFFAOYSA-N 1 0 334.423 2.586 20 10 EFCDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001252062561 1315408559 /nfs/dbraw/zinc/40/85/59/1315408559.db2.gz CIURLVYRZSFDLR-RTBURBONSA-N 1 0 342.487 2.735 20 10 EFCDRO CCOc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C2CCCC2)c(O)c1 ZINC001276814034 1315422800 /nfs/dbraw/zinc/42/28/00/1315422800.db2.gz BEBRXZVJHKAMQV-QUCCMNQESA-N 1 0 346.471 2.619 20 10 EFCDRO COCCOCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C(C)C)cc1O ZINC001276814048 1315423345 /nfs/dbraw/zinc/42/33/45/1315423345.db2.gz BTRWSAGCMCDXAU-OALUTQOASA-N 1 0 348.487 2.785 20 10 EFCDRO CCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)NC(C)C)c(O)c1 ZINC001276815530 1315442023 /nfs/dbraw/zinc/44/20/23/1315442023.db2.gz VJJSNFMHYDBJES-IYBDPMFKSA-N 1 0 347.459 2.558 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CCOCC1 ZINC001252383983 1315442763 /nfs/dbraw/zinc/44/27/63/1315442763.db2.gz QFCJAFJQFXNSAU-IBGZPJMESA-N 1 0 349.494 2.872 20 10 EFCDRO O=C(N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1)c1cccc(O)c1O ZINC001221043282 1315476139 /nfs/dbraw/zinc/47/61/39/1315476139.db2.gz RLXNMWUBSWBXHW-QGZVFWFLSA-N 1 0 344.386 2.708 20 10 EFCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)COCc1ccco1 ZINC001252645181 1315480647 /nfs/dbraw/zinc/48/06/47/1315480647.db2.gz PJNDXTJZCYWTGS-SFHVURJKSA-N 1 0 332.444 2.745 20 10 EFCDRO O=C(NC1CCC([NH+]2CCCCC2)CC1)c1c(F)ccc(O)c1O ZINC000826733775 1315533147 /nfs/dbraw/zinc/53/31/47/1315533147.db2.gz KAUCQHKBSCPYJG-UHFFFAOYSA-N 1 0 336.407 2.764 20 10 EFCDRO CC[N@H+](Cc1ccccc1O)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001252930863 1315534910 /nfs/dbraw/zinc/53/49/10/1315534910.db2.gz DYXFTXJANVRHKB-OAQYLSRUSA-N 1 0 340.467 2.851 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccccn3)C[C@@H]2C)cc1C ZINC001054327598 1315537628 /nfs/dbraw/zinc/53/76/28/1315537628.db2.gz BBUXYKIPBMRELN-MAUKXSAKSA-N 1 0 339.439 2.649 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3ccncc3)C[C@H]2C)cc1C ZINC001054332976 1315538307 /nfs/dbraw/zinc/53/83/07/1315538307.db2.gz KBBNDINGXATBCX-QAPCUYQASA-N 1 0 339.439 2.649 20 10 EFCDRO CCCC[C@H](CC)COC[C@@H](O)C[NH2+]CCc1ccc(O)c(O)c1 ZINC001253021964 1315554650 /nfs/dbraw/zinc/55/46/50/1315554650.db2.gz HDFMLOIXULSBGK-RDJZCZTQSA-N 1 0 339.476 2.824 20 10 EFCDRO COc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC001253976501 1315659608 /nfs/dbraw/zinc/65/96/08/1315659608.db2.gz SESADFYDYAXDIC-MAUKXSAKSA-N 1 0 344.455 2.852 20 10 EFCDRO COc1cccc(OC[C@@H](O)C[NH2+]Cc2c(C)cc(C)cc2O)c1 ZINC001253978275 1315659944 /nfs/dbraw/zinc/65/99/44/1315659944.db2.gz OOXNBXMWRQKQOC-HNNXBMFYSA-N 1 0 331.412 2.547 20 10 EFCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254259660 1315688466 /nfs/dbraw/zinc/68/84/66/1315688466.db2.gz STYGZIGZHIAUBI-AWEZNQCLSA-N 1 0 334.416 2.750 20 10 EFCDRO CCOC(=O)CN1CCC([NH2+]Cc2cc3ccccc3cc2O)CC1 ZINC001254398979 1315701287 /nfs/dbraw/zinc/70/12/87/1315701287.db2.gz CFEUMBQHRXNLQE-UHFFFAOYSA-N 1 0 342.439 2.663 20 10 EFCDRO Cc1ccccc1S(=O)(=O)Nc1cccc(N2CC[NH+](C)CC2)c1 ZINC001254592274 1315728688 /nfs/dbraw/zinc/72/86/88/1315728688.db2.gz COVJPHJDVAIZTH-UHFFFAOYSA-N 1 0 345.468 2.548 20 10 EFCDRO COC[C@@H](C)[N@@H+]1CCC[C@@]2(C1)COCCN(c1ccc(OC)cc1)C2 ZINC001255570170 1315841690 /nfs/dbraw/zinc/84/16/90/1315841690.db2.gz HZJJBGSRKHYDFD-XLIONFOSSA-N 1 0 348.487 2.649 20 10 EFCDRO CCC1(C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001051810469 1315885530 /nfs/dbraw/zinc/88/55/30/1315885530.db2.gz RGRUMIIIXBPACT-QGZVFWFLSA-N 1 0 346.471 2.511 20 10 EFCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)c1O ZINC000724952930 1315886669 /nfs/dbraw/zinc/88/66/69/1315886669.db2.gz LQKYAYQADNBVJU-AWEZNQCLSA-N 1 0 336.432 2.890 20 10 EFCDRO C[C@@H](Cc1ccccn1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001256418436 1315938356 /nfs/dbraw/zinc/93/83/56/1315938356.db2.gz VWKCWCCEGHQYTB-KRWDZBQOSA-N 1 0 325.456 2.981 20 10 EFCDRO O=C(CNC1CC[NH+](Cc2ccccc2)CC1)c1ccc(O)c(O)c1 ZINC001256599804 1315966834 /nfs/dbraw/zinc/96/68/34/1315966834.db2.gz DFGXYCGTNPXLLC-UHFFFAOYSA-N 1 0 340.423 2.535 20 10 EFCDRO O=C1NCCCN1c1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000827762544 1316014197 /nfs/dbraw/zinc/01/41/97/1316014197.db2.gz MWNCDVYSWYUSQP-UHFFFAOYSA-N 1 0 329.375 2.741 20 10 EFCDRO Cc1cccc(C[NH2+]Cc2ccc(N3CCCNC3=O)cc2)c1O ZINC000827762563 1316014298 /nfs/dbraw/zinc/01/42/98/1316014298.db2.gz NQSAYHZSGOFQJY-UHFFFAOYSA-N 1 0 325.412 2.910 20 10 EFCDRO CCOC(=O)[C@H]1CC[C@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001257047476 1316025440 /nfs/dbraw/zinc/02/54/40/1316025440.db2.gz NJCSQINOYYLOII-RDJZCZTQSA-N 1 0 332.444 2.549 20 10 EFCDRO CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCN(c3ccc(OCC)cc3)CC2)C1 ZINC001257073248 1316030923 /nfs/dbraw/zinc/03/09/23/1316030923.db2.gz YKVIAVRRPHSYHT-FUHWJXTLSA-N 1 0 346.471 2.939 20 10 EFCDRO CN1CCCc2cc(CNC(=O)[C@@]3(c4ccccc4)CC[NH2+]C3)ccc21 ZINC000827913610 1316031669 /nfs/dbraw/zinc/03/16/69/1316031669.db2.gz DHEIWUHSAFTRTP-QFIPXVFZSA-N 1 0 349.478 2.617 20 10 EFCDRO COCCOc1ccc(N2CC[NH+]([C@@H]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC001257102453 1316034238 /nfs/dbraw/zinc/03/42/38/1316034238.db2.gz MGNWFXQMGYQCLY-IZZQQSIFSA-N 1 0 348.487 2.790 20 10 EFCDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001318501588 1328621897 /nfs/dbraw/zinc/62/18/97/1328621897.db2.gz BQWIZOASNRSQEO-RBUKOAKNSA-N 1 0 344.503 2.959 20 10 EFCDRO Oc1cc(O)c(CC[NH2+][C@H]2COc3ccc(Cl)cc3C2)cc1O ZINC001257949642 1316105135 /nfs/dbraw/zinc/10/51/35/1316105135.db2.gz DCFWCJFYWXHLNV-CYBMUJFWSA-N 1 0 335.787 2.593 20 10 EFCDRO Oc1ccc(CNC2CC[NH+](CCc3ccccc3)CC2)cc1O ZINC001258135909 1316123618 /nfs/dbraw/zinc/12/36/18/1316123618.db2.gz UVVHSABHKAYVKR-UHFFFAOYSA-N 1 0 326.440 2.895 20 10 EFCDRO COC(=O)CC[C@@H](C)N1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001258369629 1316144585 /nfs/dbraw/zinc/14/45/85/1316144585.db2.gz HMNCYPBNKHMJGL-CYBMUJFWSA-N 1 0 330.428 2.887 20 10 EFCDRO O=C1CC[C@H]([NH2+]Cc2ccc(O)cc2O)CCN1Cc1ccccc1 ZINC001258570036 1316163368 /nfs/dbraw/zinc/16/33/68/1316163368.db2.gz GVEYTIKXPQDUFJ-KRWDZBQOSA-N 1 0 340.423 2.769 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001318542828 1328634627 /nfs/dbraw/zinc/63/46/27/1328634627.db2.gz XTKIDASXGNMPJI-ZWKOTPCHSA-N 1 0 332.492 2.733 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001318542822 1328635165 /nfs/dbraw/zinc/63/51/65/1328635165.db2.gz XTKIDASXGNMPJI-QZTJIDSGSA-N 1 0 332.492 2.733 20 10 EFCDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001261206692 1316396476 /nfs/dbraw/zinc/39/64/76/1316396476.db2.gz XJKOHNKITFRORY-IBGZPJMESA-N 1 0 336.451 2.503 20 10 EFCDRO COC(=O)C[C@](C)(NCc1ccc(OC)c(C)c1)c1ccccn1 ZINC001262263250 1316457017 /nfs/dbraw/zinc/45/70/17/1316457017.db2.gz KLNKYYOMJXKLNG-IBGZPJMESA-N 1 0 328.412 2.967 20 10 EFCDRO CSCC(C)(C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001262378127 1316464958 /nfs/dbraw/zinc/46/49/58/1316464958.db2.gz SEZJIVQYCIDOAI-UHFFFAOYSA-N 1 0 325.497 2.809 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cccnc2N(C)C)N(C)C)cc1 ZINC001262379047 1316465384 /nfs/dbraw/zinc/46/53/84/1316465384.db2.gz QOXXKOFBQILXFE-LJQANCHMSA-N 1 0 341.503 2.606 20 10 EFCDRO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(N)cc1 ZINC001262488375 1316469312 /nfs/dbraw/zinc/46/93/12/1316469312.db2.gz ZYECNVOGFZUFEU-UHFFFAOYSA-N 1 0 348.468 2.573 20 10 EFCDRO Nc1ccc(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC001262562033 1316472330 /nfs/dbraw/zinc/47/23/30/1316472330.db2.gz NHRKCCFCEZYXDD-IBGZPJMESA-N 1 0 338.455 2.905 20 10 EFCDRO CN(C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)c1ccc(N)cc1 ZINC001263168030 1316520249 /nfs/dbraw/zinc/52/02/49/1316520249.db2.gz BRARWAALKLOOOL-MLPAPPSSSA-N 1 0 339.439 2.885 20 10 EFCDRO CC(C)[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001041850262 1316735215 /nfs/dbraw/zinc/73/52/15/1316735215.db2.gz GVPQBHMQNNSIDB-GOSISDBHSA-N 1 0 343.431 2.795 20 10 EFCDRO CC(C)(C)[NH+]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC001318673596 1328666041 /nfs/dbraw/zinc/66/60/41/1328666041.db2.gz RFOCBNQAFAAJIG-UHFFFAOYSA-N 1 0 342.487 2.689 20 10 EFCDRO CO[C@]1(C)C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1(C)C ZINC001318802828 1328704946 /nfs/dbraw/zinc/70/49/46/1328704946.db2.gz AGSVJBBYACIYLF-AZUAARDMSA-N 1 0 349.494 2.871 20 10 EFCDRO c1cc(N2CCCC2)ccc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC001319711913 1328960307 /nfs/dbraw/zinc/96/03/07/1328960307.db2.gz KKRIAFGNOQWTQM-UHFFFAOYSA-N 1 0 343.515 2.831 20 10 EFCDRO CN1CCN(c2ccc(C[N@@H+]3CCSC(C)(C)C3)cc2F)CC1 ZINC001319713224 1328961230 /nfs/dbraw/zinc/96/12/30/1328961230.db2.gz USKNXKMCZVPJOX-UHFFFAOYSA-N 1 0 337.508 2.905 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2F)CC1 ZINC001319836684 1329008697 /nfs/dbraw/zinc/00/86/97/1329008697.db2.gz CMCXBOUVUCAOKR-KRWDZBQOSA-N 1 0 347.478 2.769 20 10 EFCDRO CN1CCN(c2ccc(C[N@H+](C)Cc3cccnc3)cc2F)CC1 ZINC001319945900 1329041005 /nfs/dbraw/zinc/04/10/05/1329041005.db2.gz KYTIITWHPFPRNH-UHFFFAOYSA-N 1 0 328.435 2.605 20 10 EFCDRO O=C(NC1CC1)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001319948340 1329042267 /nfs/dbraw/zinc/04/22/67/1329042267.db2.gz SDGUIICZIXOIFQ-QGZVFWFLSA-N 1 0 327.472 2.777 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCCCS3)cc2F)CC1 ZINC001320044408 1329064803 /nfs/dbraw/zinc/06/48/03/1329064803.db2.gz ZWPGLOFFKLNYIE-MRXNPFEDSA-N 1 0 337.508 2.953 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c2c1c(F)ccc2O ZINC001320125385 1329090415 /nfs/dbraw/zinc/09/04/15/1329090415.db2.gz RTBMJSBFTIPLGR-LALPHHSUSA-N 1 0 330.407 2.682 20 10 EFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC001320133060 1329094322 /nfs/dbraw/zinc/09/43/22/1329094322.db2.gz NBOOAYSCOXJRKI-ILXRZTDVSA-N 1 0 333.428 2.761 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](CC(C)C)OC)C2)cc1C ZINC001491751328 1323861052 /nfs/dbraw/zinc/86/10/52/1323861052.db2.gz DZQMQCDWNRDGTI-HKUYNNGSSA-N 1 0 348.487 2.755 20 10 EFCDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000746665626 1324434738 /nfs/dbraw/zinc/43/47/38/1324434738.db2.gz FRNLJKLYRWNNSW-UHFFFAOYSA-N 1 0 342.355 2.792 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+]C2(CO)CCCC2)ccc1N1CCCCC1 ZINC000751504307 1324724413 /nfs/dbraw/zinc/72/44/13/1324724413.db2.gz FRYOLNOSRXWSKI-UHFFFAOYSA-N 1 0 333.432 2.980 20 10 EFCDRO C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000753765241 1324796032 /nfs/dbraw/zinc/79/60/32/1324796032.db2.gz XWKSVGVBHOWCFB-GPAUDHNESA-N 1 0 344.908 2.594 20 10 EFCDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC001320836010 1329308080 /nfs/dbraw/zinc/30/80/80/1329308080.db2.gz FOFXTIUTPDXVQY-NWDGAFQWSA-N 1 0 328.206 2.586 20 10 EFCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC001321022688 1329332480 /nfs/dbraw/zinc/33/24/80/1329332480.db2.gz HQUAIPLPLFJUAS-XJKSGUPXSA-N 1 0 340.423 2.903 20 10 EFCDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC001321068450 1329339095 /nfs/dbraw/zinc/33/90/95/1329339095.db2.gz CQYQRGJANCJHAD-ROUUACIJSA-N 1 0 332.444 2.595 20 10 EFCDRO C[C@@H]1CN(CC[N@H+](C)Cc2ccc(N3CCCC3)cc2)C[C@H](C)O1 ZINC001321407133 1329383537 /nfs/dbraw/zinc/38/35/37/1329383537.db2.gz MTTNGDSXGYKUSD-HDICACEKSA-N 1 0 331.504 2.828 20 10 EFCDRO C[C@@H](CN1CCCCC1)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323439856 1329543505 /nfs/dbraw/zinc/54/35/05/1329543505.db2.gz BXEVSOPNOIBAKQ-KRWDZBQOSA-N 1 0 348.510 2.542 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c(O)c1 ZINC001323888601 1329582889 /nfs/dbraw/zinc/58/28/89/1329582889.db2.gz BVLOSXSMNRYSAR-HNNXBMFYSA-N 1 0 329.444 2.979 20 10 EFCDRO CCO[C@@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001324166317 1329604789 /nfs/dbraw/zinc/60/47/89/1329604789.db2.gz CTKSCFKRPSRNSR-QGZVFWFLSA-N 1 0 335.467 2.578 20 10 EFCDRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001324395093 1329623426 /nfs/dbraw/zinc/62/34/26/1329623426.db2.gz QMLHLSSJLCLZGY-PZJWPPBQSA-N 1 0 340.467 2.861 20 10 EFCDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCO1 ZINC001325301230 1329678900 /nfs/dbraw/zinc/67/89/00/1329678900.db2.gz YNTOEMGDCJBRMY-SJORKVTESA-N 1 0 349.494 2.872 20 10 EFCDRO C[NH2+]C[C@H](C)CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001325323232 1329679745 /nfs/dbraw/zinc/67/97/45/1329679745.db2.gz CDHQQVASDYUSDC-AWEZNQCLSA-N 1 0 331.416 2.553 20 10 EFCDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001325737943 1329709574 /nfs/dbraw/zinc/70/95/74/1329709574.db2.gz NLDVDLBRAINRCJ-SFHVURJKSA-N 1 0 331.460 2.997 20 10 EFCDRO C[NH2+][C@H](C)CCN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC001325745376 1329709884 /nfs/dbraw/zinc/70/98/84/1329709884.db2.gz XSIHXGLYAJGBRP-KGLIPLIRSA-N 1 0 325.884 2.825 20 10 EFCDRO CCOC1CC([N@H+](C)Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001325754110 1329710944 /nfs/dbraw/zinc/71/09/44/1329710944.db2.gz WXODIADBWRKBEA-UHFFFAOYSA-N 1 0 335.467 2.577 20 10 EFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCCCC[NH3+])cc1 ZINC001326595818 1330324746 /nfs/dbraw/zinc/32/47/46/1330324746.db2.gz LMMCXGWHBIKWPY-LJQANCHMSA-N 1 0 347.503 2.779 20 10 EFCDRO C[NH2+]C[C@@H](C)CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC001327839644 1330520690 /nfs/dbraw/zinc/52/06/90/1330520690.db2.gz JRXYOUBCVOCUCD-KGLIPLIRSA-N 1 0 325.884 2.683 20 10 EFCDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001328771825 1330630203 /nfs/dbraw/zinc/63/02/03/1330630203.db2.gz MWMLJSBLCUXHLN-JSGCOSHPSA-N 1 0 325.792 2.680 20 10 EFCDRO CCn1nc(C(C)C)cc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001329300049 1330691898 /nfs/dbraw/zinc/69/18/98/1330691898.db2.gz NZRJUAMUYYDAKI-MRXNPFEDSA-N 1 0 343.475 2.522 20 10 EFCDRO CN(C)[C@@]1(C[NH2+]Cc2c(O)cccc2Br)CCSC1 ZINC001329710459 1330729884 /nfs/dbraw/zinc/72/98/84/1330729884.db2.gz LEIDDYYXMJOPGM-CQSZACIVSA-N 1 0 345.306 2.682 20 10 EFCDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCCC1 ZINC001329794439 1330737945 /nfs/dbraw/zinc/73/79/45/1330737945.db2.gz ZYEXUTPRDFVARE-UHFFFAOYSA-N 1 0 336.501 2.734 20 10 EFCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(-c3cnn(C)c3)cc2)cc1 ZINC001331418866 1330835081 /nfs/dbraw/zinc/83/50/81/1330835081.db2.gz LLGKHTAYWSZCLF-OAQYLSRUSA-N 1 0 349.482 2.943 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331857710 1330881412 /nfs/dbraw/zinc/88/14/12/1330881412.db2.gz MUKMAXAXQSXTMS-BCDXTJNWSA-N 1 0 342.487 2.617 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[NH2+]CC(C)C ZINC001332450028 1330973412 /nfs/dbraw/zinc/97/34/12/1330973412.db2.gz AWLBSZCZUDSAOB-UHFFFAOYSA-N 1 0 343.265 2.749 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1O ZINC001332691132 1331002967 /nfs/dbraw/zinc/00/29/67/1331002967.db2.gz JKZVGNVKHMSRNN-IRXDYDNUSA-N 1 0 345.443 2.531 20 10 EFCDRO Cc1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)sn1 ZINC001333487736 1331153609 /nfs/dbraw/zinc/15/36/09/1331153609.db2.gz ZUJZSGVUMLGPAR-OAHLLOKOSA-N 1 0 347.488 2.942 20 10 EFCDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc2c[nH+]cn2c1C ZINC001333507692 1331156914 /nfs/dbraw/zinc/15/69/14/1331156914.db2.gz GLEQFWFBXUVLNS-UHFFFAOYSA-N 1 0 330.384 2.764 20 10 EFCDRO Cc1cc(N)nc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)[nH+]1 ZINC001333676712 1331192490 /nfs/dbraw/zinc/19/24/90/1331192490.db2.gz ABBJVMCJTRWUJE-STQMWFEESA-N 1 0 345.422 2.732 20 10 EFCDRO Cc1occc1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001333694607 1331195324 /nfs/dbraw/zinc/19/53/24/1331195324.db2.gz GVZKJCNAKXXNIH-SFHVURJKSA-N 1 0 344.459 2.756 20 10 EFCDRO COc1c(O)ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)c1[N+](=O)[O-] ZINC001333723026 1331201887 /nfs/dbraw/zinc/20/18/87/1331201887.db2.gz IZEQDENSGXUCNS-UHFFFAOYSA-N 1 0 345.399 2.973 20 10 EFCDRO COc1ccc(O[C@H](C)C[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC001333740715 1331206132 /nfs/dbraw/zinc/20/61/32/1331206132.db2.gz OGCVCMDDDIAPES-CYBMUJFWSA-N 1 0 347.411 2.975 20 10 EFCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC001334814088 1331311228 /nfs/dbraw/zinc/31/12/28/1331311228.db2.gz SNLDQABUCGFOJE-GJZGRUSLSA-N 1 0 347.455 2.887 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)CC2CC(F)(F)C2)[NH+](C)C)cc1 ZINC001334843354 1331316239 /nfs/dbraw/zinc/31/62/39/1331316239.db2.gz UAUDXGWREAGLQR-MRXNPFEDSA-N 1 0 339.430 2.907 20 10 EFCDRO CCC(CC)[C@H](CNC(=O)NCc1ccc(N)cc1)[NH+]1CCCC1 ZINC001335666000 1331388589 /nfs/dbraw/zinc/38/85/89/1331388589.db2.gz NDLOXWMUYHBVSS-SFHVURJKSA-N 1 0 332.492 2.969 20 10 EFCDRO C[C@H](CCNC(=O)NCc1ccc(N)cc1)[N@H+](C)Cc1ccccc1 ZINC001336052494 1331430520 /nfs/dbraw/zinc/43/05/20/1331430520.db2.gz ZGVAPQBYNKYAOV-MRXNPFEDSA-N 1 0 340.471 2.979 20 10 EFCDRO COC(=O)c1ccc(N2CC[N@H+](Cc3ccc(N)cc3)[C@@H](C)C2)cc1 ZINC001336284914 1331455217 /nfs/dbraw/zinc/45/52/17/1331455217.db2.gz DSSBOVCVFWOJCB-HNNXBMFYSA-N 1 0 339.439 2.766 20 10 EFCDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001336698629 1331493675 /nfs/dbraw/zinc/49/36/75/1331493675.db2.gz SNPJOCUIEBNLIS-FZKQIMNGSA-N 1 0 337.416 2.621 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](CO)[C@H](C)c2ccccc2)c(O)c1OC ZINC001336720709 1331495862 /nfs/dbraw/zinc/49/58/62/1331495862.db2.gz ANOCQNJTYGTJIU-CJNGLKHVSA-N 1 0 331.412 2.664 20 10 EFCDRO Cc1cc(CN2CCC[N@@H+](Cc3ccc(N(C)C)cc3)CC2)no1 ZINC001337026165 1331528982 /nfs/dbraw/zinc/52/89/82/1331528982.db2.gz OHDKMYMZUFOICW-UHFFFAOYSA-N 1 0 328.460 2.757 20 10 EFCDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1c(O)ccc3ccncc31)C2 ZINC001337189951 1331547468 /nfs/dbraw/zinc/54/74/68/1331547468.db2.gz KWBNGNOSYYBBRT-LIRRHRJNSA-N 1 0 326.396 2.716 20 10 EFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](C)C(=O)NCC(F)(F)F ZINC001337796053 1331599497 /nfs/dbraw/zinc/59/94/97/1331599497.db2.gz OGZUGMVQRZUHLY-GMTAPVOTSA-N 1 0 330.350 2.906 20 10 EFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)C(=O)NCC(F)(F)F ZINC001337796055 1331599562 /nfs/dbraw/zinc/59/95/62/1331599562.db2.gz OGZUGMVQRZUHLY-MXWKQRLJSA-N 1 0 330.350 2.906 20 10 EFCDRO C[C@@H](NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1ccc(N(C)C)cc1 ZINC001338359869 1331697710 /nfs/dbraw/zinc/69/77/10/1331697710.db2.gz XZUGVLUXWMZEBX-QAPCUYQASA-N 1 0 330.476 2.693 20 10 EFCDRO C[C@H](NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1ccc(N(C)C)cc1 ZINC001338359870 1331697874 /nfs/dbraw/zinc/69/78/74/1331697874.db2.gz XZUGVLUXWMZEBX-YJBOKZPZSA-N 1 0 330.476 2.693 20 10 EFCDRO C[C@@H]1[C@H](NC(=O)NCc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001338608289 1331719507 /nfs/dbraw/zinc/71/95/07/1331719507.db2.gz PKZLKJGPMAXYDZ-DNVCBOLYSA-N 1 0 338.455 2.731 20 10 EFCDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cc(C)c1O ZINC001338953641 1331761643 /nfs/dbraw/zinc/76/16/43/1331761643.db2.gz SOGYZVAZWJQHSB-QWHCGFSZSA-N 1 0 342.233 2.894 20 10 EFCDRO CCc1cc(C[NH+]2CCC(OCC(N)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC001340038656 1332131380 /nfs/dbraw/zinc/13/13/80/1332131380.db2.gz HWMOHPZWVCQLND-UHFFFAOYSA-N 1 0 348.487 2.718 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](CC[NH3+])C3)ccc21 ZINC001341237763 1332245050 /nfs/dbraw/zinc/24/50/50/1332245050.db2.gz WDVOZYCCVRBTKY-MRXNPFEDSA-N 1 0 343.471 2.715 20 10 EFCDRO C/C(=C/c1cccnc1)C(=O)N1C[C@@H](C[NH3+])Cc2cc(F)ccc21 ZINC001341748410 1332281285 /nfs/dbraw/zinc/28/12/85/1332281285.db2.gz HFZPXFBNJWTYKQ-LPYTZGJOSA-N 1 0 325.387 2.788 20 10 EFCDRO CC[NH+](CC)CC[C@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC001342707438 1332335574 /nfs/dbraw/zinc/33/55/74/1332335574.db2.gz NJPUHHZDDYHHQJ-UONOGXRCSA-N 1 0 337.464 2.881 20 10 EFCDRO COc1cc(CN2CC[C@H]([NH2+]Cc3ccc(N)cc3)C2)cc(OC)c1 ZINC001345159855 1332514471 /nfs/dbraw/zinc/51/44/71/1332514471.db2.gz ONNKDPQEGXKUGS-SFHVURJKSA-N 1 0 341.455 2.650 20 10 EFCDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCc1ccc(N)cc1 ZINC001346739754 1332680596 /nfs/dbraw/zinc/68/05/96/1332680596.db2.gz UPQMRUVUVXCFHP-UHFFFAOYSA-N 1 0 332.473 2.604 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+]CCOCC3CCCC3)cc2F)CC1 ZINC001347940585 1332786976 /nfs/dbraw/zinc/78/69/76/1332786976.db2.gz KZFKVDCVGXWTLG-UHFFFAOYSA-N 1 0 349.494 2.874 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@@H+]3C2)c1 ZINC001348141826 1332803434 /nfs/dbraw/zinc/80/34/34/1332803434.db2.gz ZLONYJCZDLXGCU-LXTVHRRPSA-N 1 0 332.444 2.698 20 10 EFCDRO CC(C)[C@]1(CO)CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC001348384182 1332831727 /nfs/dbraw/zinc/83/17/27/1332831727.db2.gz TZPQPMJSERMSDQ-OAHLLOKOSA-N 1 0 328.250 2.995 20 10 EFCDRO CN1CCCc2cc(CNC(=O)c3ccc4c(c3)C[NH2+]CC4)ccc21 ZINC001349093493 1332904641 /nfs/dbraw/zinc/90/46/41/1332904641.db2.gz OYZONYUBQGCFJE-UHFFFAOYSA-N 1 0 335.451 2.645 20 10 EFCDRO CCOC(=O)c1cc(C[NH2+]Cc2ccc(N(CC)CC)c(F)c2)[nH]n1 ZINC001349409537 1332948833 /nfs/dbraw/zinc/94/88/33/1332948833.db2.gz AJTBPHGCXUHISJ-UHFFFAOYSA-N 1 0 348.422 2.862 20 10 EFCDRO COc1cc(C)cc(C[N@H+](C)C[C@H](O)COCc2ccccc2)c1O ZINC001350308951 1333062507 /nfs/dbraw/zinc/06/25/07/1333062507.db2.gz CAPNSOLOQNCIIG-SFHVURJKSA-N 1 0 345.439 2.719 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC001350328526 1333065226 /nfs/dbraw/zinc/06/52/26/1333065226.db2.gz WDKLIFIIAGHJRA-OAQYLSRUSA-N 1 0 337.467 2.690 20 10 EFCDRO CN(C)c1cccc(C[NH2+]Cc2c(O)cccc2Br)n1 ZINC001351327730 1333212140 /nfs/dbraw/zinc/21/21/40/1333212140.db2.gz CQNYDOZHKVSCDB-UHFFFAOYSA-N 1 0 336.233 2.906 20 10 EFCDRO Cc1cc(C(=O)CN(C[C@@H](C)O)C2CC2)c(C)n1-c1ccc(F)cn1 ZINC000847106357 1333326397 /nfs/dbraw/zinc/32/63/97/1333326397.db2.gz QDIQJPAYZRCNHR-CYBMUJFWSA-N 1 0 345.418 2.656 20 10 EFCDRO COc1ccc(C[NH2+]CCN2CCc3sccc3C2)c(O)c1OC ZINC001351974374 1333339384 /nfs/dbraw/zinc/33/93/84/1333339384.db2.gz GRBJWIRMOVJHMF-UHFFFAOYSA-N 1 0 348.468 2.619 20 10 EFCDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001352098436 1333385112 /nfs/dbraw/zinc/38/51/12/1333385112.db2.gz HKSJOIGDYXYWFP-INIZCTEOSA-N 1 0 342.462 2.693 20 10 EFCDRO C[C@H](Cc1c[nH]cn1)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000847324762 1333548360 /nfs/dbraw/zinc/54/83/60/1333548360.db2.gz WHYVIOQLEKKNKK-CQSZACIVSA-N 1 0 326.444 2.846 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000847443900 1333725367 /nfs/dbraw/zinc/72/53/67/1333725367.db2.gz FYZCXCDBTADPHC-XKQJLSEDSA-N 1 0 347.459 2.778 20 10 EFCDRO O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847446625 1333731334 /nfs/dbraw/zinc/73/13/34/1333731334.db2.gz IHMNMDDEBPSOEU-LSDHHAIUSA-N 1 0 337.851 2.862 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)CC[C@H](C)OC)CC2)cc1C ZINC001200195066 1333852904 /nfs/dbraw/zinc/85/29/04/1333852904.db2.gz SZDDRQUWTZTYET-INIZCTEOSA-N 1 0 348.487 2.899 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc1F ZINC000848414146 1334712692 /nfs/dbraw/zinc/71/26/92/1334712692.db2.gz LVICTQDXBNTYFO-DNVCBOLYSA-N 1 0 333.451 2.678 20 10 EFCDRO CC(=O)OC[C@@H](C)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001355255124 1334725657 /nfs/dbraw/zinc/72/56/57/1334725657.db2.gz UNXINNJODYUFEL-MLGOLLRUSA-N 1 0 340.851 2.551 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCCn2ccnc21)c1ccc(N2CCOCC2)cc1 ZINC000848526785 1334775225 /nfs/dbraw/zinc/77/52/25/1334775225.db2.gz HOUZBQDTFOUUOG-YJBOKZPZSA-N 1 0 326.444 2.905 20 10 EFCDRO c1csc(SCCC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)n1 ZINC000848529331 1334776355 /nfs/dbraw/zinc/77/63/55/1334776355.db2.gz SIZKTVQEDRRODJ-OAHLLOKOSA-N 1 0 341.546 2.858 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]C2(CCO)CCN(C)CC2)cc1F ZINC000848558058 1334794402 /nfs/dbraw/zinc/79/44/02/1334794402.db2.gz JLCQQLFBNSXGMR-UHFFFAOYSA-N 1 0 337.483 2.608 20 10 EFCDRO Cc1cnc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000848562216 1334795832 /nfs/dbraw/zinc/79/58/32/1334795832.db2.gz BGHAPITVUWTDOC-UHFFFAOYSA-N 1 0 325.456 2.867 20 10 EFCDRO Nc1ccc(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1 ZINC001356083667 1334950662 /nfs/dbraw/zinc/95/06/62/1334950662.db2.gz XIVUSASDEXZVGE-UHFFFAOYSA-N 1 0 341.430 2.685 20 10 EFCDRO CCc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1O ZINC000848880183 1334956646 /nfs/dbraw/zinc/95/66/46/1334956646.db2.gz BSTZQDWCRDHBEK-UHFFFAOYSA-N 1 0 342.399 2.580 20 10 EFCDRO CCc1cccc(C[NH+]2CCN(Cc3c(C)noc3C)CC2)c1O ZINC000848882638 1334958711 /nfs/dbraw/zinc/95/87/11/1334958711.db2.gz WNPRFCBKWCYULP-UHFFFAOYSA-N 1 0 329.444 2.877 20 10 EFCDRO CCc1cccc(C[N@H+](CCO)Cc2ccc(OC)cc2OC)c1O ZINC000848885221 1334961134 /nfs/dbraw/zinc/96/11/34/1334961134.db2.gz RLQWUPNQISKZBM-UHFFFAOYSA-N 1 0 345.439 2.966 20 10 EFCDRO CCc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1O ZINC000848889529 1334963501 /nfs/dbraw/zinc/96/35/01/1334963501.db2.gz KPVWDXJYHQDZAB-ROUUACIJSA-N 1 0 329.444 2.776 20 10 EFCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1O ZINC000848890195 1334964841 /nfs/dbraw/zinc/96/48/41/1334964841.db2.gz PXIOBNNKHVABLI-AEFFLSMTSA-N 1 0 329.444 2.634 20 10 EFCDRO CCc1cccc(C[NH2+]CCNC(=O)Cc2cccc(F)c2)c1O ZINC000848891749 1334965606 /nfs/dbraw/zinc/96/56/06/1334965606.db2.gz ZHFCBVMPHNXRRM-UHFFFAOYSA-N 1 0 330.403 2.542 20 10 EFCDRO CCc1cccc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)c1O ZINC000848893604 1334966209 /nfs/dbraw/zinc/96/62/09/1334966209.db2.gz XXYMUUSHBRRYCG-UHFFFAOYSA-N 1 0 328.412 2.942 20 10 EFCDRO CCc1cccc(C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)c1O ZINC000848893544 1334966501 /nfs/dbraw/zinc/96/65/01/1334966501.db2.gz XDSYQELJDKIZGO-UHFFFAOYSA-N 1 0 334.441 2.616 20 10 EFCDRO CCc1cccc(C[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c1O ZINC000848894358 1334966857 /nfs/dbraw/zinc/96/68/57/1334966857.db2.gz DJHSDDZITDAXGV-UHFFFAOYSA-N 1 0 349.452 2.527 20 10 EFCDRO CCc1cccc(C[NH2+]CCS(=O)(=O)Cc2ccccc2)c1O ZINC000848894074 1334967723 /nfs/dbraw/zinc/96/77/23/1334967723.db2.gz GCPBZMBABKALIC-UHFFFAOYSA-N 1 0 333.453 2.659 20 10 EFCDRO CCNC(=O)COc1cccc(C[NH2+]Cc2cccc(CC)c2O)c1 ZINC000848895185 1334968330 /nfs/dbraw/zinc/96/83/30/1334968330.db2.gz RVRMAOVWCWBTMV-UHFFFAOYSA-N 1 0 342.439 2.759 20 10 EFCDRO CCc1cccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)c1O ZINC000848895930 1334968983 /nfs/dbraw/zinc/96/89/83/1334968983.db2.gz ZEDPKGLCHBPHTI-ZDUSSCGKSA-N 1 0 348.468 2.714 20 10 EFCDRO CCc1cccc(C[NH2+]CCc2cccc(C(=O)N(C)C)c2)c1O ZINC000848896393 1334969215 /nfs/dbraw/zinc/96/92/15/1334969215.db2.gz AHTTZTZYFIDUQD-UHFFFAOYSA-N 1 0 326.440 2.989 20 10 EFCDRO CCc1cccc(C[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)c1O ZINC000848902625 1334973223 /nfs/dbraw/zinc/97/32/23/1334973223.db2.gz QWOAMQCUIXIPSJ-SFHVURJKSA-N 1 0 339.439 2.630 20 10 EFCDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cccc(CC)c2O)C1 ZINC000848908796 1334976915 /nfs/dbraw/zinc/97/69/15/1334976915.db2.gz DLUWJWURKUZGBS-IBGZPJMESA-N 1 0 335.444 2.746 20 10 EFCDRO CCc1cccc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)c1O ZINC000848907154 1334977327 /nfs/dbraw/zinc/97/73/27/1334977327.db2.gz AJMIZCOMCKMDSX-UHFFFAOYSA-N 1 0 344.377 2.845 20 10 EFCDRO CCc1cccc(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)c1O ZINC000848910497 1334979032 /nfs/dbraw/zinc/97/90/32/1334979032.db2.gz KIYALKLFDNDUKM-UHFFFAOYSA-N 1 0 338.407 2.731 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(Oc3ncc(C)cn3)CC2)c1 ZINC000848925306 1334991138 /nfs/dbraw/zinc/99/11/38/1334991138.db2.gz SHMZQYKOUKMIBV-UHFFFAOYSA-N 1 0 329.400 2.543 20 10 EFCDRO [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000848930667 1334993858 /nfs/dbraw/zinc/99/38/58/1334993858.db2.gz VFBZCYNMCLKPEE-CYBMUJFWSA-N 1 0 342.842 2.871 20 10 EFCDRO C[C@@H]1CN(c2ccc(CNC(=[NH2+])N3CCCCC3)cc2F)C[C@@H](C)O1 ZINC000849070638 1335068404 /nfs/dbraw/zinc/06/84/04/1335068404.db2.gz ZJJSTURBKGBZGF-HUUCEWRRSA-N 1 0 348.466 2.950 20 10 EFCDRO C[C@@H]1CN(c2ccc(CNC(=[NH2+])NCC3CCC3)cc2F)C[C@@H](C)O1 ZINC000849069605 1335068407 /nfs/dbraw/zinc/06/84/07/1335068407.db2.gz OAKUUGKNFNMPJE-ZIAGYGMSSA-N 1 0 348.466 2.853 20 10 EFCDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1ccc(N)cc1 ZINC001357792439 1335333704 /nfs/dbraw/zinc/33/37/04/1335333704.db2.gz XWKHFDTYXWXJRY-UHFFFAOYSA-N 1 0 326.444 2.672 20 10 EFCDRO [NH2+]=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)Nc1ccccc1 ZINC000849109820 1335553594 /nfs/dbraw/zinc/55/35/94/1335553594.db2.gz ITKJBXRAZCRPJF-UHFFFAOYSA-N 1 0 346.381 2.938 20 10 EFCDRO Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2NCc2ccc3c(c2)CCO3)c1 ZINC000849350293 1335596575 /nfs/dbraw/zinc/59/65/75/1335596575.db2.gz WXYPBONWJIMVJD-OALUTQOASA-N 1 0 326.415 2.996 20 10 EFCDRO COc1c([O-])c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000849350853 1335596848 /nfs/dbraw/zinc/59/68/48/1335596848.db2.gz YUOZTXOEMFHCFS-AWEZNQCLSA-N 1 0 349.431 2.521 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@H]3CC[C@H](C)O3)C2)cc1C ZINC001020546401 713134156 /nfs/dbraw/zinc/13/41/56/713134156.db2.gz MXPSTMOVIRNJSB-LEUOFYLZSA-N 1 0 346.471 2.698 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](OC)C3CCC3)C2)cc1C ZINC000969491882 713145896 /nfs/dbraw/zinc/14/58/96/713145896.db2.gz WEKJQLITEMYDQZ-IEBWSBKVSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3(C)CCOCC3)C2)cc1C ZINC001020758569 713387566 /nfs/dbraw/zinc/38/75/66/713387566.db2.gz XASNUORLODFFKW-QAQDUYKDSA-N 1 0 346.471 2.557 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCO[C@H](C)C3)C2)cc1C ZINC001020831288 713412593 /nfs/dbraw/zinc/41/25/93/713412593.db2.gz LXDDUBCPNIYAOH-VDHUWJSZSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@]3(C)CCCOC3)C2)cc1C ZINC001020833261 713413285 /nfs/dbraw/zinc/41/32/85/713413285.db2.gz IVDSFVXPIQDBGI-ZWOKBUDYSA-N 1 0 346.471 2.557 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccnc(C)c3)C2)cc1C ZINC000970301967 713622760 /nfs/dbraw/zinc/62/27/60/713622760.db2.gz URRNLHWZCQHQEK-GOSISDBHSA-N 1 0 339.439 2.711 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000160422343 714088336 /nfs/dbraw/zinc/08/83/36/714088336.db2.gz SMQKUGYAFJRXRV-CQSZACIVSA-N 1 0 336.432 2.808 20 10 EFCDRO CC(C)c1nocc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245420 714132580 /nfs/dbraw/zinc/13/25/80/714132580.db2.gz DTSHBJXVYDRJPV-QGZVFWFLSA-N 1 0 344.459 2.897 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCCS2)[NH+](C)C)cc1 ZINC000891246709 714132594 /nfs/dbraw/zinc/13/25/94/714132594.db2.gz CFTNXFNJLSGVFH-IAGOWNOFSA-N 1 0 335.517 2.757 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCCS2)[NH+](C)C)cc1 ZINC000891246708 714132885 /nfs/dbraw/zinc/13/28/85/714132885.db2.gz CFTNXFNJLSGVFH-DLBZAZTESA-N 1 0 335.517 2.757 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2ccc[nH]2)[NH+](C)C)cc1 ZINC000891246775 714133201 /nfs/dbraw/zinc/13/32/01/714133201.db2.gz DGFFPMZLMVTWLC-ZVBPTUHVSA-N 1 0 326.444 2.513 20 10 EFCDRO COCCC(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246757 714133309 /nfs/dbraw/zinc/13/33/09/714133309.db2.gz CYNHDVCVVXMZPU-QGZVFWFLSA-N 1 0 335.492 2.534 20 10 EFCDRO CSC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCC1 ZINC000891248662 714136993 /nfs/dbraw/zinc/13/69/93/714136993.db2.gz MOBPXBJRDZUPLQ-INIZCTEOSA-N 1 0 335.517 2.757 20 10 EFCDRO CCC[C@H](OCC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248252 714137313 /nfs/dbraw/zinc/13/73/13/714137313.db2.gz XFULUQMRSQUZRE-MSOLQXFVSA-N 1 0 335.492 2.677 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cnc(C3CC3)o2)[NH+](C)C)cc1 ZINC000891248246 714137526 /nfs/dbraw/zinc/13/75/26/714137526.db2.gz XEHKLGIWDQYRAR-MRXNPFEDSA-N 1 0 342.443 2.651 20 10 EFCDRO CCc1nc(C)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000891249301 714137942 /nfs/dbraw/zinc/13/79/42/714137942.db2.gz QKTQTKIELWLPLM-MRXNPFEDSA-N 1 0 344.459 2.644 20 10 EFCDRO CO[C@@H](CC(C)C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248946 714139666 /nfs/dbraw/zinc/13/96/66/714139666.db2.gz OZBTXMFJCGCWNK-ROUUACIJSA-N 1 0 335.492 2.533 20 10 EFCDRO COCCC[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248761 714139715 /nfs/dbraw/zinc/13/97/15/714139715.db2.gz NUGPDGHXDVIHLN-QAPCUYQASA-N 1 0 335.492 2.534 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)C=C2CCSCC2)[NH+](C)C)cc1 ZINC000891248970 714140342 /nfs/dbraw/zinc/14/03/42/714140342.db2.gz ONIVOSHWARJIBA-SFHVURJKSA-N 1 0 347.528 2.925 20 10 EFCDRO Cc1ccc(O)cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250240 714141968 /nfs/dbraw/zinc/14/19/68/714141968.db2.gz VPRDDMQEDKVXIJ-LJQANCHMSA-N 1 0 341.455 2.799 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)CC2(O)CCCCC2)[NH+](C)C)cc1 ZINC000891251582 714144908 /nfs/dbraw/zinc/14/49/08/714144908.db2.gz HCDZVIZXFLTQDK-GOSISDBHSA-N 1 0 347.503 2.557 20 10 EFCDRO Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1O ZINC000891251649 714145348 /nfs/dbraw/zinc/14/53/48/714145348.db2.gz CWOMZWRIRAPCQG-GOSISDBHSA-N 1 0 341.455 2.799 20 10 EFCDRO CCCCO[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254719 714148304 /nfs/dbraw/zinc/14/83/04/714148304.db2.gz IQIJAQPXHUXNRY-QAPCUYQASA-N 1 0 335.492 2.677 20 10 EFCDRO Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)[nH]1 ZINC000891255274 714151388 /nfs/dbraw/zinc/15/13/88/714151388.db2.gz OELQGOQBNCWDEH-GOSISDBHSA-N 1 0 328.460 2.730 20 10 EFCDRO CCc1noc(C)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255439 714151824 /nfs/dbraw/zinc/15/18/24/714151824.db2.gz PFSUZBHEYWPYSE-QGZVFWFLSA-N 1 0 344.459 2.644 20 10 EFCDRO CC(C)CO[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255416 714151871 /nfs/dbraw/zinc/15/18/71/714151871.db2.gz OWBGUUFLUMXSDD-CRAIPNDOSA-N 1 0 335.492 2.533 20 10 EFCDRO CC(C)CC[NH+]1CC([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970954869 714178280 /nfs/dbraw/zinc/17/82/80/714178280.db2.gz QMNNVBCYYYHIRA-CYBMUJFWSA-N 1 0 345.447 2.945 20 10 EFCDRO CCCC[N@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000160770087 714464659 /nfs/dbraw/zinc/46/46/59/714464659.db2.gz MLTHLRVSJOMERO-CQSZACIVSA-N 1 0 331.865 2.835 20 10 EFCDRO Cc1noc(C)c1/C=C1/SC(=S)N(C2CC[NH+](C)CC2)C1=O ZINC000255286300 714492054 /nfs/dbraw/zinc/49/20/54/714492054.db2.gz WANKLVNJWJUGMI-MDWZMJQESA-N 1 0 337.470 2.587 20 10 EFCDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000050901232 714508852 /nfs/dbraw/zinc/50/88/52/714508852.db2.gz MOKZZFMXJZFTGN-ZIAGYGMSSA-N 1 0 348.443 2.638 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cscn3)C2)cc1C ZINC001021894374 714585995 /nfs/dbraw/zinc/58/59/95/714585995.db2.gz VGLHACKKXYMNAN-OKILXGFUSA-N 1 0 331.441 2.511 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H]3CCCCO3)C2)cc1C ZINC001021955890 714614990 /nfs/dbraw/zinc/61/49/90/714614990.db2.gz MPXNYZCJWNQOOT-KSZLIROESA-N 1 0 346.471 2.700 20 10 EFCDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000891532708 714805723 /nfs/dbraw/zinc/80/57/23/714805723.db2.gz LOCYEWXABYKTSD-DOTOQJQBSA-N 1 0 330.476 2.554 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccns3)C2)cc1C ZINC001022151614 714831536 /nfs/dbraw/zinc/83/15/36/714831536.db2.gz GBLWKYXMYNQWOP-OKILXGFUSA-N 1 0 331.441 2.511 20 10 EFCDRO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c(O)c1OC ZINC000891722410 714975663 /nfs/dbraw/zinc/97/56/63/714975663.db2.gz XTCGBNJAZIAAMU-CQSZACIVSA-N 1 0 331.412 2.792 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[C@@H](OC)C3)C2)cc1C ZINC001022328602 715013325 /nfs/dbraw/zinc/01/33/25/715013325.db2.gz RXBVPIMLWLVHEH-WNRNVDISSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[N@H+](C)[C@H](CCO)c2ccccc2)c(O)c1OC ZINC000892053388 715235594 /nfs/dbraw/zinc/23/55/94/715235594.db2.gz VLGVYFAJVTWVSH-MRXNPFEDSA-N 1 0 331.412 2.965 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3csc(C)n3)C2)cc1C ZINC001022594925 715242533 /nfs/dbraw/zinc/24/25/33/715242533.db2.gz KRTNCVYFBOGIPN-GASCZTMLSA-N 1 0 345.468 2.819 20 10 EFCDRO COc1ccc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)c(O)c1OC ZINC000892125981 715264930 /nfs/dbraw/zinc/26/49/30/715264930.db2.gz SSIBQSLOADELJM-DEOSSOPVSA-N 1 0 349.452 2.779 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000326920323 715535488 /nfs/dbraw/zinc/53/54/88/715535488.db2.gz IHCFLQVJMGBAOY-HXUWFJFHSA-N 1 0 337.467 2.988 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc(C)[nH]c3C)C2)cc1C ZINC001022778659 715643300 /nfs/dbraw/zinc/64/33/00/715643300.db2.gz UAVHHQOLTPLUBJ-CALCHBBNSA-N 1 0 341.455 2.999 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3nocc3C)C2)cc1C ZINC001027157570 715755686 /nfs/dbraw/zinc/75/56/86/715755686.db2.gz BTILTHULUULGQA-MRXNPFEDSA-N 1 0 343.427 2.552 20 10 EFCDRO CC(C)(C)C[N@H+](CCCO)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093146153 716009831 /nfs/dbraw/zinc/00/98/31/716009831.db2.gz ODGHBNBNSKZPRI-UHFFFAOYSA-N 1 0 338.467 2.893 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000126624779 716136313 /nfs/dbraw/zinc/13/63/13/716136313.db2.gz JZYXFAJDLUOGGN-UHFFFAOYSA-N 1 0 339.439 2.592 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCC3)C2)cc1 ZINC001023146427 716172597 /nfs/dbraw/zinc/17/25/97/716172597.db2.gz WALUZKORRVVAPA-IYBDPMFKSA-N 1 0 343.431 2.890 20 10 EFCDRO CC1(C)C[N@H+](CCCF)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000977658731 716450486 /nfs/dbraw/zinc/45/04/86/716450486.db2.gz IWJDVDIIDQTZGQ-AWEZNQCLSA-N 1 0 349.410 2.649 20 10 EFCDRO C[N@H+](CC1CC1)[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001027699149 716562927 /nfs/dbraw/zinc/56/29/27/716562927.db2.gz ZCZWDDZAPXCCSH-MRXNPFEDSA-N 1 0 343.431 2.795 20 10 EFCDRO CCCC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000979142753 716748083 /nfs/dbraw/zinc/74/80/83/716748083.db2.gz LKQXKPMELBFEAQ-YJBOKZPZSA-N 1 0 334.460 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)CC3CC3)CCO2)cc1C ZINC000979145187 716749331 /nfs/dbraw/zinc/74/93/31/716749331.db2.gz PDDQECICADIHOV-BEFAXECRSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)C3CCC3)CCO2)cc1C ZINC000979185099 716777296 /nfs/dbraw/zinc/77/72/96/716777296.db2.gz WAQTVYRPSJLMHG-KXBFYZLASA-N 1 0 346.471 2.509 20 10 EFCDRO C/C=C(/C)C(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000979237195 716824192 /nfs/dbraw/zinc/82/41/92/716824192.db2.gz BTBOKPVEJILBCS-LXHDIEJVSA-N 1 0 346.471 2.675 20 10 EFCDRO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(OC)c(OC)c1O)C2 ZINC000895389109 724104382 /nfs/dbraw/zinc/10/43/82/724104382.db2.gz RYAXKSVEFWQPDC-UHFFFAOYSA-N 1 0 329.396 2.976 20 10 EFCDRO C[C@@H]1CCC[C@@]1(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893607880 717371895 /nfs/dbraw/zinc/37/18/95/717371895.db2.gz MDXCBIUHKROJFO-OXQOHEQNSA-N 1 0 329.488 2.881 20 10 EFCDRO CC(C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980511861 717377062 /nfs/dbraw/zinc/37/70/62/717377062.db2.gz SNFYMCOHKOHNGG-HNNXBMFYSA-N 1 0 331.420 2.651 20 10 EFCDRO CCOC(=O)CN(Cc1cc(Br)ccc1O)C(C)C ZINC000179423976 717463016 /nfs/dbraw/zinc/46/30/16/717463016.db2.gz XDAMJXLVOJRXHO-UHFFFAOYSA-N 1 0 330.222 2.928 20 10 EFCDRO CCOC(=O)CN(Cc1cccc(Br)c1[O-])C(C)C ZINC000179424852 717463028 /nfs/dbraw/zinc/46/30/28/717463028.db2.gz XFNANCQDCGYOGK-UHFFFAOYSA-N 1 0 330.222 2.928 20 10 EFCDRO COc1ccc(OCC[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000892466994 717710112 /nfs/dbraw/zinc/71/01/12/717710112.db2.gz HOZJKEBYUIFEFU-UHFFFAOYSA-N 1 0 333.384 2.587 20 10 EFCDRO CC(C)[NH2+]C[C@H]1C[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980817900 717799717 /nfs/dbraw/zinc/79/97/17/717799717.db2.gz JDTROYFPBIYICC-CHWSQXEVSA-N 1 0 331.420 2.698 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ocnc3C)[C@H]2C)cc1C ZINC000986100425 724476140 /nfs/dbraw/zinc/47/61/40/724476140.db2.gz JSHIUVIEGIZAQN-GOEBONIOSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)c3ncc[nH]3)C2)cc1C ZINC000981075041 718110563 /nfs/dbraw/zinc/11/05/63/718110563.db2.gz HHXIWKMDENQMJP-HOTGVXAUSA-N 1 0 342.443 2.558 20 10 EFCDRO Cc1ccc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(O)c1O ZINC000177672561 718154861 /nfs/dbraw/zinc/15/48/61/718154861.db2.gz JINKLGHIAGGYGU-OKILXGFUSA-N 1 0 334.460 2.894 20 10 EFCDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C)c(O)c1O)c1ccco1 ZINC000177676903 718158480 /nfs/dbraw/zinc/15/84/80/718158480.db2.gz ZTKNIZZPVUXJAO-AWEZNQCLSA-N 1 0 332.400 2.812 20 10 EFCDRO COc1ccc(CCNC(=[NH2+])NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000066243769 718160956 /nfs/dbraw/zinc/16/09/56/718160956.db2.gz BQLSBBSKRXWBKU-UHFFFAOYSA-N 1 0 344.434 2.757 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000177708352 718174716 /nfs/dbraw/zinc/17/47/16/718174716.db2.gz KTFJZFUPKDMLNQ-RDJZCZTQSA-N 1 0 344.503 2.957 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2CCCO2)cc1C ZINC001024857453 718192674 /nfs/dbraw/zinc/19/26/74/718192674.db2.gz GMLOGGMPSYMUPB-MJGOQNOKSA-N 1 0 346.471 2.653 20 10 EFCDRO CC[C@H](OC)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001024895263 718209635 /nfs/dbraw/zinc/20/96/35/718209635.db2.gz YHGDPFBECUXXEY-MSOLQXFVSA-N 1 0 348.487 2.899 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000168978313 718823453 /nfs/dbraw/zinc/82/34/53/718823453.db2.gz FXYHLWWOLPPXAU-UFYCRDLUSA-N 1 0 342.483 2.961 20 10 EFCDRO COc1ccc(C[NH2+]CCN2c3ccccc3C[C@@H]2C)c(O)c1OC ZINC000892706882 718873314 /nfs/dbraw/zinc/87/33/14/718873314.db2.gz XWURVQUBCZRTEQ-AWEZNQCLSA-N 1 0 342.439 2.950 20 10 EFCDRO COc1ccc(C[NH2+]CCN2CCCc3ccccc32)c(O)c1OC ZINC000892712631 718920546 /nfs/dbraw/zinc/92/05/46/718920546.db2.gz VQWUQAQDGJYCTM-UHFFFAOYSA-N 1 0 342.439 2.952 20 10 EFCDRO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000305851487 724554081 /nfs/dbraw/zinc/55/40/81/724554081.db2.gz VADWJIPIJSQQHL-GFCCVEGCSA-N 1 0 332.423 2.669 20 10 EFCDRO CCn1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000892728926 719057196 /nfs/dbraw/zinc/05/71/96/719057196.db2.gz HQAYZFZJGNRXJI-OAHLLOKOSA-N 1 0 328.460 2.899 20 10 EFCDRO COc1ccc(C[NH2+]Cc2nc3cc(C)ccc3n2C)c(O)c1OC ZINC000893649179 719129826 /nfs/dbraw/zinc/12/98/26/719129826.db2.gz PYIAEYVMRKWYQK-UHFFFAOYSA-N 1 0 341.411 2.894 20 10 EFCDRO COc1ccc(C[NH2+]CCCCNc2ccccn2)c(O)c1OC ZINC000892870752 719250782 /nfs/dbraw/zinc/25/07/82/719250782.db2.gz IRICAKMZKBSVBN-UHFFFAOYSA-N 1 0 331.416 2.786 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3coc(C)n3)[C@H]2C)cc1C ZINC000986201104 724577491 /nfs/dbraw/zinc/57/74/91/724577491.db2.gz LLACSFVMROUPGY-XJKSGUPXSA-N 1 0 343.427 2.693 20 10 EFCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC000067010378 719437210 /nfs/dbraw/zinc/43/72/10/719437210.db2.gz GNRJWWYGAJATNC-CQSZACIVSA-N 1 0 348.468 2.763 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](CCO)c2ccccc2)c(O)c1OC ZINC000893013894 719452269 /nfs/dbraw/zinc/45/22/69/719452269.db2.gz NRBLPPZMHBFRIS-HNNXBMFYSA-N 1 0 331.412 2.665 20 10 EFCDRO CC[NH+](CC)C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000893052080 719541496 /nfs/dbraw/zinc/54/14/96/719541496.db2.gz ARKKHJBJVMDWBV-QGZVFWFLSA-N 1 0 346.519 2.934 20 10 EFCDRO COc1ccc(C[NH2+]CCCC(=O)OC(C)(C)C)c(O)c1OC ZINC000893088064 719602324 /nfs/dbraw/zinc/60/23/24/719602324.db2.gz KAYOKXFJUZJADW-UHFFFAOYSA-N 1 0 325.405 2.621 20 10 EFCDRO CCC[N@@H+]1CCCC2(CN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC000982166786 719621826 /nfs/dbraw/zinc/62/18/26/719621826.db2.gz OBCOIPIPBRAADY-UHFFFAOYSA-N 1 0 343.431 2.797 20 10 EFCDRO CC1(C)CC[N@H+](CCNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000893133411 719720506 /nfs/dbraw/zinc/72/05/06/719720506.db2.gz AWRHMUJHPFNXOA-UHFFFAOYSA-N 1 0 342.487 2.594 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c(O)c1OC ZINC000893133497 719720744 /nfs/dbraw/zinc/72/07/44/719720744.db2.gz FDYQGLSJBJCDKZ-CXAGYDPISA-N 1 0 339.457 2.554 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)C(F)F)C[C@H]23)cc1C ZINC001026160910 719825910 /nfs/dbraw/zinc/82/59/10/719825910.db2.gz ITTHIQUXBXAVEG-QLFBSQMISA-N 1 0 338.398 2.595 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc[nH]c3)[C@@H]2C)cc1C ZINC000986294398 724631122 /nfs/dbraw/zinc/63/11/22/724631122.db2.gz LXEKLQFSAUKGCA-RHSMWYFYSA-N 1 0 327.428 2.725 20 10 EFCDRO COc1ccc(C[NH2+]CC[C@](C)(O)c2ccccc2)c(O)c1OC ZINC000893720423 720002884 /nfs/dbraw/zinc/00/28/84/720002884.db2.gz ZTIFVLLSGMHLDJ-IBGZPJMESA-N 1 0 331.412 2.797 20 10 EFCDRO Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c(O)c1O ZINC000181808750 720053003 /nfs/dbraw/zinc/05/30/03/720053003.db2.gz XYHTWDIRYVOVSK-UHFFFAOYSA-N 1 0 340.423 2.932 20 10 EFCDRO COc1cc(C)cc(C[NH+]2CCN(Cc3cccc(O)c3)CC2)c1O ZINC000893991461 720198004 /nfs/dbraw/zinc/19/80/04/720198004.db2.gz RBIMRJHPIVFJJE-UHFFFAOYSA-N 1 0 342.439 2.733 20 10 EFCDRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000894053324 720252999 /nfs/dbraw/zinc/25/29/99/720252999.db2.gz JBHLGVFVNBSIRC-SJORKVTESA-N 1 0 334.460 2.931 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)c(O)c1OC ZINC000894061145 720258379 /nfs/dbraw/zinc/25/83/79/720258379.db2.gz DZDBVKUVCZEGJB-AWEZNQCLSA-N 1 0 331.416 2.523 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccsn3)[C@@H]2C)cc1C ZINC000986413977 724677901 /nfs/dbraw/zinc/67/79/01/724677901.db2.gz OEFYRGMZKOZTLJ-UKRRQHHQSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccsn3)[C@H]2C)cc1C ZINC000986413974 724678054 /nfs/dbraw/zinc/67/80/54/724678054.db2.gz OEFYRGMZKOZTLJ-DZGCQCFKSA-N 1 0 345.468 2.853 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000178711483 720579578 /nfs/dbraw/zinc/57/95/78/720579578.db2.gz ZQQKFUMENXTYLU-IBGZPJMESA-N 1 0 325.456 2.892 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[C@H]1CCC[NH2+]1 ZINC000162526135 720630950 /nfs/dbraw/zinc/63/09/50/720630950.db2.gz FCRUJCCIXUOFGI-CYBMUJFWSA-N 1 0 341.249 2.645 20 10 EFCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)c3cocn3)CC2)cc1C ZINC001026465166 720637728 /nfs/dbraw/zinc/63/77/28/720637728.db2.gz LKDAJAPCZSIRRV-UHFFFAOYSA-N 1 0 343.427 2.822 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC2CCC([NH2+]CC3CC3)CC2)cc1 ZINC001026612838 720815520 /nfs/dbraw/zinc/81/55/20/720815520.db2.gz NVWRTQJXEHMPII-UHFFFAOYSA-N 1 0 343.431 2.890 20 10 EFCDRO COc1ccc(C[NH2+]Cc2cn3cccc(C)c3n2)c(O)c1OC ZINC000893351731 720875218 /nfs/dbraw/zinc/87/52/18/720875218.db2.gz FKTFVSIOSBQJLH-UHFFFAOYSA-N 1 0 327.384 2.655 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3ccncc3)C2)cc1C ZINC001026643560 720878568 /nfs/dbraw/zinc/87/85/68/720878568.db2.gz DONOBYHBSSRFAY-QGZVFWFLSA-N 1 0 339.439 2.651 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C(C)(F)F)C2)cc1C ZINC001026641181 720883630 /nfs/dbraw/zinc/88/36/30/720883630.db2.gz KUVYBWBNCQQMDB-AWEZNQCLSA-N 1 0 326.387 2.597 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3cccn3C)C2)cc1C ZINC001026692375 720937108 /nfs/dbraw/zinc/93/71/08/720937108.db2.gz RBTLJGVSKIWAFV-QGZVFWFLSA-N 1 0 341.455 2.594 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@H](Cc2ccccc2)N(C)C)c1O ZINC000894149640 720941663 /nfs/dbraw/zinc/94/16/63/720941663.db2.gz MWGHSKMXROMPGS-SFHVURJKSA-N 1 0 328.456 2.972 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C3=COCCC3)C2)cc1C ZINC001026726584 720989725 /nfs/dbraw/zinc/98/97/25/720989725.db2.gz BEMUYLFZLPSHNU-KRWDZBQOSA-N 1 0 344.455 2.636 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CC(=O)NCc1ccccc1 ZINC000840918698 721019223 /nfs/dbraw/zinc/01/92/23/721019223.db2.gz ZADLNSNJOGQGSH-UHFFFAOYSA-N 1 0 325.456 2.809 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)/C=C\C3CC3)C2)cc1C ZINC001026754109 721045186 /nfs/dbraw/zinc/04/51/86/721045186.db2.gz WTZOGAXZZIIBRY-POZKEBTKSA-N 1 0 328.456 2.908 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C)C3CC3)C2)cc1C ZINC001026758994 721047854 /nfs/dbraw/zinc/04/78/54/721047854.db2.gz XDGXKVMIEDCCBF-RDJZCZTQSA-N 1 0 330.472 2.988 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C)C3CC3)C2)cc1C ZINC001026758995 721047869 /nfs/dbraw/zinc/04/78/69/721047869.db2.gz XDGXKVMIEDCCBF-WBVHZDCISA-N 1 0 330.472 2.988 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3cc[nH]c3C)C2)cc1C ZINC001026769143 721074633 /nfs/dbraw/zinc/07/46/33/721074633.db2.gz ZSAOFGBJBFCGIT-KRWDZBQOSA-N 1 0 341.455 2.892 20 10 EFCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC000067247886 721084032 /nfs/dbraw/zinc/08/40/32/721084032.db2.gz VRFYENLJINGMGP-CQSZACIVSA-N 1 0 348.468 2.763 20 10 EFCDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000195007588 721087208 /nfs/dbraw/zinc/08/72/08/721087208.db2.gz SYRFLMPKGVCGFT-AUUYWEPGSA-N 1 0 340.423 2.585 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3coc(C)n3)C2)cc1C ZINC001026801984 721134503 /nfs/dbraw/zinc/13/45/03/721134503.db2.gz KHGMOBHPGVPASQ-MRXNPFEDSA-N 1 0 343.427 2.552 20 10 EFCDRO CCCCNC(=O)C1CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000178854987 721182057 /nfs/dbraw/zinc/18/20/57/721182057.db2.gz CQYDLAMRARDTTE-UHFFFAOYSA-N 1 0 334.460 2.838 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1O)[C@@H](O)C(F)(F)F ZINC000877693613 721203234 /nfs/dbraw/zinc/20/32/34/721203234.db2.gz LXAFPACUIGPKAL-LHLIQPBNSA-N 1 0 328.128 2.556 20 10 EFCDRO Oc1ccccc1C[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894212434 721259415 /nfs/dbraw/zinc/25/94/15/721259415.db2.gz ABKCMXYINMSTHW-UHFFFAOYSA-N 1 0 339.848 2.629 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3cc(F)c[nH]3)C2)cc1C ZINC001026962025 721445662 /nfs/dbraw/zinc/44/56/62/721445662.db2.gz YYOUNILHWJXKDN-HNNXBMFYSA-N 1 0 345.418 2.723 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C2CCN(CCOC(C)C)CC2)c1O ZINC000894323211 722092189 /nfs/dbraw/zinc/09/21/89/722092189.db2.gz KWEJQLZOPZPRRS-UHFFFAOYSA-N 1 0 336.476 2.688 20 10 EFCDRO COc1ccc2c(c1)OC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)C2 ZINC000894365823 722619795 /nfs/dbraw/zinc/61/97/95/722619795.db2.gz ANQHRZNEAZHMLZ-HNNXBMFYSA-N 1 0 329.396 2.811 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC[N@H+](CC3CCC3)C2)cc1 ZINC001029013803 722637459 /nfs/dbraw/zinc/63/74/59/722637459.db2.gz HXVPEEOOQMBCQW-CQSZACIVSA-N 1 0 343.431 2.701 20 10 EFCDRO CC(C)CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013484 722638169 /nfs/dbraw/zinc/63/81/69/722638169.db2.gz AXGVMNKTBFOYMJ-CQSZACIVSA-N 1 0 345.447 2.947 20 10 EFCDRO CC[C@@H](C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029014179 722639737 /nfs/dbraw/zinc/63/97/37/722639737.db2.gz QULPEXBHFKRXLC-KGLIPLIRSA-N 1 0 345.447 2.947 20 10 EFCDRO CC[C@@H](C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029014181 722639855 /nfs/dbraw/zinc/63/98/55/722639855.db2.gz QULPEXBHFKRXLC-ZIAGYGMSSA-N 1 0 345.447 2.947 20 10 EFCDRO CC(C)=CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029014345 722640299 /nfs/dbraw/zinc/64/02/99/722640299.db2.gz WWCWJVNCMAOZFL-AWEZNQCLSA-N 1 0 343.431 2.867 20 10 EFCDRO CN(C(=O)NCCCSc1nccs1)C1CCC([NH3+])CC1 ZINC000841857905 722668622 /nfs/dbraw/zinc/66/86/22/722668622.db2.gz RDGRKGLDNRYEFT-UHFFFAOYSA-N 1 0 328.507 2.537 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@H](O)c2ccc(C)cc2)c(O)c1OC ZINC000894411015 722717458 /nfs/dbraw/zinc/71/74/58/722717458.db2.gz BMMSYIHQIYKWAN-DYVFJYSZSA-N 1 0 331.412 2.930 20 10 EFCDRO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]Cc1cccc(OC)c1O ZINC000894457636 722741916 /nfs/dbraw/zinc/74/19/16/722741916.db2.gz FQWKZVNNCPLRBP-CYBMUJFWSA-N 1 0 345.395 2.631 20 10 EFCDRO COCCC[N@H+](Cc1ccncc1)Cc1ccc(OC)c(OC)c1O ZINC000894463561 722743999 /nfs/dbraw/zinc/74/39/99/722743999.db2.gz XRIPAOAUIICBII-UHFFFAOYSA-N 1 0 346.427 2.843 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c(O)c1OC ZINC000894539175 722776035 /nfs/dbraw/zinc/77/60/35/722776035.db2.gz SEKKLMSUVBCJFI-OXJNMPFZSA-N 1 0 343.423 2.665 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2COc3c(C)cccc3C2)c(O)c1OC ZINC000894557232 722778621 /nfs/dbraw/zinc/77/86/21/722778621.db2.gz YLEMFCLLUPZLME-OAHLLOKOSA-N 1 0 329.396 2.811 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c(O)c1OC ZINC000894750445 722835703 /nfs/dbraw/zinc/83/57/03/722835703.db2.gz CDDBYFIDLDCBAL-RHSMWYFYSA-N 1 0 344.411 2.814 20 10 EFCDRO COc1cc(C)cc(CN(CC[NH+](C)C)Cc2ccccn2)c1O ZINC000894770552 722839186 /nfs/dbraw/zinc/83/91/86/722839186.db2.gz QSGSZRJCFQHVBC-UHFFFAOYSA-N 1 0 329.444 2.668 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c1O ZINC000894789673 722845224 /nfs/dbraw/zinc/84/52/24/722845224.db2.gz IONYDMMKQYHTAM-YLJYHZDGSA-N 1 0 327.424 2.965 20 10 EFCDRO COc1ccc(CN2CC([N@H+](C)Cc3ccccc3)C2)c(O)c1OC ZINC000894825027 722865850 /nfs/dbraw/zinc/86/58/50/722865850.db2.gz IHVKLBHPTCSYEF-UHFFFAOYSA-N 1 0 342.439 2.726 20 10 EFCDRO [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@H](CCCO)C1 ZINC000894960184 723035551 /nfs/dbraw/zinc/03/55/51/723035551.db2.gz WDJHZVGFGTXNTG-JTQLQIEISA-N 1 0 332.213 2.888 20 10 EFCDRO NC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H]1c1ccccc1 ZINC000895005606 723047095 /nfs/dbraw/zinc/04/70/95/723047095.db2.gz OWCYTAWIGUFDAP-UONOGXRCSA-N 1 0 348.805 2.886 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000126807600 723180343 /nfs/dbraw/zinc/18/03/43/723180343.db2.gz BQTAXTWMWBWYTJ-SFHVURJKSA-N 1 0 341.455 2.707 20 10 EFCDRO COc1cccc(O)c1C[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000727837131 723197045 /nfs/dbraw/zinc/19/70/45/723197045.db2.gz LBHWRQMVIADWEL-INIZCTEOSA-N 1 0 341.329 2.941 20 10 EFCDRO O=C(NCCCSc1nccs1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000154567239 728804243 /nfs/dbraw/zinc/80/42/43/728804243.db2.gz ZWCDCWPHCXMKDG-ZDUSSCGKSA-N 1 0 340.518 2.505 20 10 EFCDRO C=C/C=C\CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896437236 723301733 /nfs/dbraw/zinc/30/17/33/723301733.db2.gz MQEKURMAHZGKHU-ZEVQVBBLSA-N 1 0 330.476 2.787 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCCCC[C@H]2CO)c1O ZINC000895150729 723469265 /nfs/dbraw/zinc/46/92/65/723469265.db2.gz BYTKWSSSPMFBQO-ZDUSSCGKSA-N 1 0 344.249 2.900 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CC34CC4)C2)cc1C ZINC000984857972 723526175 /nfs/dbraw/zinc/52/61/75/723526175.db2.gz XFNWQRDLIMNZPD-BRWVUGGUSA-N 1 0 328.456 2.788 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCC[C@@H]3C)CC2)cc1 ZINC000237274041 723570986 /nfs/dbraw/zinc/57/09/86/723570986.db2.gz FTCQWIXJJKNEEO-PXNSSMCTSA-N 1 0 331.504 2.986 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C)c(O)c1OC ZINC000895217647 723882586 /nfs/dbraw/zinc/88/25/86/723882586.db2.gz ADPRYEDQISTLSP-AWEZNQCLSA-N 1 0 339.432 2.865 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3cc(F)c[nH]3)C2)cc1C ZINC000984340643 723985388 /nfs/dbraw/zinc/98/53/88/723985388.db2.gz RABHLDINNVCGLM-KOMQPUFPSA-N 1 0 345.418 2.769 20 10 EFCDRO CC1=NO[C@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000895310063 724018131 /nfs/dbraw/zinc/01/81/31/724018131.db2.gz GAFDRLGBFGTKBZ-HNNXBMFYSA-N 1 0 332.404 2.840 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2C(=O)NCC2(C)C)cc1 ZINC000895321021 724028016 /nfs/dbraw/zinc/02/80/16/724028016.db2.gz JQANCRUHRMULRW-QGZVFWFLSA-N 1 0 343.496 2.999 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)cc1 ZINC000895326452 724035087 /nfs/dbraw/zinc/03/50/87/724035087.db2.gz XVDVTMKUNTVVHO-PKOBYXMFSA-N 1 0 346.496 2.702 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000127113641 724075089 /nfs/dbraw/zinc/07/50/89/724075089.db2.gz SDIPJVPYNYTKHH-KRWDZBQOSA-N 1 0 345.418 2.976 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(NS(C)(=O)=O)c1 ZINC000067505162 724098283 /nfs/dbraw/zinc/09/82/83/724098283.db2.gz DTHLUJOAOGWYHH-CYBMUJFWSA-N 1 0 346.452 2.844 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CC[C@@H](O)COCc2ccccc2)c1O ZINC000895415397 724124190 /nfs/dbraw/zinc/12/41/90/724124190.db2.gz USPZDCVHOCXWCN-GOSISDBHSA-N 1 0 345.439 2.767 20 10 EFCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)c1 ZINC000895505082 724164388 /nfs/dbraw/zinc/16/43/88/724164388.db2.gz NJAMCXQEETVHMR-KRWDZBQOSA-N 1 0 338.407 2.918 20 10 EFCDRO Cc1ccc(C[NH2+]C[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)c(O)c1 ZINC000895507566 724166053 /nfs/dbraw/zinc/16/60/53/724166053.db2.gz HXXNDZWODBTDCV-KRWDZBQOSA-N 1 0 338.407 2.918 20 10 EFCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1 ZINC000895507199 724166171 /nfs/dbraw/zinc/16/61/71/724166171.db2.gz CZPODRJLRLMDOX-INIZCTEOSA-N 1 0 342.370 2.749 20 10 EFCDRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3cccc(C)c3O)C2)cc1 ZINC000895495851 724167033 /nfs/dbraw/zinc/16/70/33/724167033.db2.gz ITAZQAMEBUEPQB-QGZVFWFLSA-N 1 0 326.396 2.992 20 10 EFCDRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3cc(F)ccc3O)C2)cc1 ZINC000895496973 724167904 /nfs/dbraw/zinc/16/79/04/724167904.db2.gz XMVYJEYDTXXQRV-MRXNPFEDSA-N 1 0 330.359 2.823 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c(O)c1OC ZINC000895587446 724208598 /nfs/dbraw/zinc/20/85/98/724208598.db2.gz UIYXJJJZNYPALF-FQEVSTJZSA-N 1 0 343.423 2.893 20 10 EFCDRO CCO/C=C/[C@](O)(C[NH2+]Cc1cccc(OCC)c1O)C(F)(F)F ZINC000895705590 724265266 /nfs/dbraw/zinc/26/52/66/724265266.db2.gz BFDWETJUGZFPLS-HVHJFMEUSA-N 1 0 349.349 2.724 20 10 EFCDRO COc1ccc(C[N@H+](CCO)Cc2cc(C)cc(OC)c2O)cc1 ZINC000895711068 724270454 /nfs/dbraw/zinc/27/04/54/724270454.db2.gz OTQQLUWZLJEPHD-UHFFFAOYSA-N 1 0 331.412 2.712 20 10 EFCDRO CCOc1ccc(O)c(C[N@H+](CCO)Cc2ccc(OC)cc2)c1 ZINC000895711721 724270927 /nfs/dbraw/zinc/27/09/27/724270927.db2.gz UYOUSVLARSKLNL-UHFFFAOYSA-N 1 0 331.412 2.794 20 10 EFCDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1ccc(N(C)C)cc1C)C(F)(F)F ZINC000895715222 724275007 /nfs/dbraw/zinc/27/50/07/724275007.db2.gz AOXCFERZYYVWKZ-HLRDLLSLSA-N 1 0 346.393 2.994 20 10 EFCDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1cc(C)cc(OC)c1O)C(F)(F)F ZINC000895717301 724276951 /nfs/dbraw/zinc/27/69/51/724276951.db2.gz NFVCLKNHSTUPRS-LLYBFZRZSA-N 1 0 349.349 2.642 20 10 EFCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1O ZINC000895781156 724318878 /nfs/dbraw/zinc/31/88/78/724318878.db2.gz FISWLSRMRYXZGO-GDLCADMTSA-N 1 0 326.234 2.666 20 10 EFCDRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)OC ZINC000895813674 724328607 /nfs/dbraw/zinc/32/86/07/724328607.db2.gz LPHGTYGRJPCBJQ-HNAYVOBHSA-N 1 0 347.503 2.539 20 10 EFCDRO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(NC(=O)C3CC3)CC2)c1 ZINC000029586559 724934149 /nfs/dbraw/zinc/93/41/49/724934149.db2.gz IIRONQYZDYPDBL-UHFFFAOYSA-N 1 0 346.471 2.886 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cccn3C)[C@@H]2C)cc1C ZINC000985982732 724998835 /nfs/dbraw/zinc/99/88/35/724998835.db2.gz IEYRPSLIHGSXDJ-NVXWUHKLSA-N 1 0 341.455 2.735 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ncoc3C)[C@H]2C)cc1C ZINC000986022032 725012585 /nfs/dbraw/zinc/01/25/85/725012585.db2.gz DWDALRILYCIPRG-XJKSGUPXSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1cccc(O)c1C[N@H+](C)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000897406033 725012834 /nfs/dbraw/zinc/01/28/34/725012834.db2.gz RZLKMMVURWRWOF-ZDUSSCGKSA-N 1 0 336.432 2.842 20 10 EFCDRO COc1cccc(C[N@H+](C)C[C@H]2CCN2C(=O)OC(C)(C)C)c1O ZINC000897405905 725012863 /nfs/dbraw/zinc/01/28/63/725012863.db2.gz NKHDSAXCVNRFJV-CQSZACIVSA-N 1 0 336.432 2.842 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cscn3)[C@H]2C)cc1C ZINC000986057017 725027162 /nfs/dbraw/zinc/02/71/62/725027162.db2.gz TWSTUQGDFMUWAA-DZGCQCFKSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3ccco3)[C@@H]2C)cc1C ZINC000987223872 725597501 /nfs/dbraw/zinc/59/75/01/725597501.db2.gz MYKGYMRNSNYSBY-QAPCUYQASA-N 1 0 342.439 2.918 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3ccco3)[C@@H]2C)cc1C ZINC000987223870 725597505 /nfs/dbraw/zinc/59/75/05/725597505.db2.gz MYKGYMRNSNYSBY-CRAIPNDOSA-N 1 0 342.439 2.918 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCOC1 ZINC000151542823 725612735 /nfs/dbraw/zinc/61/27/35/725612735.db2.gz AUIZRZHEYCHTJI-QAPCUYQASA-N 1 0 336.451 2.692 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000130135413 725648911 /nfs/dbraw/zinc/64/89/11/725648911.db2.gz FCRZDGOXAYQHTG-NSHDSACASA-N 1 0 341.249 2.503 20 10 EFCDRO C[C@H]1[C@@H]([NH2+]CC2CCC2)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000987582817 725765298 /nfs/dbraw/zinc/76/52/98/725765298.db2.gz AWNPCSGLXZMIIJ-LRDDRELGSA-N 1 0 343.431 2.842 20 10 EFCDRO CCC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(N=NC(N)=O)cc3)CCC[C@H]12 ZINC000992546541 725956425 /nfs/dbraw/zinc/95/64/25/725956425.db2.gz KBSFKIZFFGNNGE-YJBOKZPZSA-N 1 0 343.431 2.986 20 10 EFCDRO CC(C)[N@@H+]1CC[C@]2(NC(=O)c3ccc(N=NC(N)=O)cc3)CCC[C@H]12 ZINC000992549924 725958529 /nfs/dbraw/zinc/95/85/29/725958529.db2.gz OUXPMLYYEYIVFL-MAUKXSAKSA-N 1 0 343.431 2.984 20 10 EFCDRO Oc1ccccc1C[N@H+](CCOC[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000152293459 725989345 /nfs/dbraw/zinc/98/93/45/725989345.db2.gz CLKRDKCUQZIMGW-ZWKOTPCHSA-N 1 0 335.444 2.569 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3cc(C)no3)C2)cc1C ZINC000988031476 726034032 /nfs/dbraw/zinc/03/40/32/726034032.db2.gz SBYVSBMYDGNSDP-ZBFHGGJFSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3cc(C)no3)C2)cc1C ZINC000988031472 726034066 /nfs/dbraw/zinc/03/40/66/726034066.db2.gz SBYVSBMYDGNSDP-GOEBONIOSA-N 1 0 343.427 2.693 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000152546880 726157680 /nfs/dbraw/zinc/15/76/80/726157680.db2.gz NBSSSVUDZCACTC-RDTXWAMCSA-N 1 0 332.419 2.982 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C3=COCCC3)C2)cc1C ZINC000988310913 726165131 /nfs/dbraw/zinc/16/51/31/726165131.db2.gz OHXCBJHPIXKTQW-CRAIPNDOSA-N 1 0 344.455 2.777 20 10 EFCDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000897478371 726262640 /nfs/dbraw/zinc/26/26/40/726262640.db2.gz RRMYIMGKJCAQBC-MRXNPFEDSA-N 1 0 344.503 2.911 20 10 EFCDRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000729343874 726317573 /nfs/dbraw/zinc/31/75/73/726317573.db2.gz GZGKYDSCJGPDGV-APWZRJJASA-N 1 0 345.487 2.575 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NCC[NH+](CC)CC)cc1F ZINC000731400685 726858155 /nfs/dbraw/zinc/85/81/55/726858155.db2.gz HLTLNYYDWLVQND-UHFFFAOYSA-N 1 0 338.471 2.813 20 10 EFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)C[NH+]2CCCC2)cc1 ZINC000915216717 726899491 /nfs/dbraw/zinc/89/94/91/726899491.db2.gz MIYMUIOASVGJGS-UHFFFAOYSA-N 1 0 341.455 2.970 20 10 EFCDRO C[N@H+](CCOCC(F)(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000193717631 727117664 /nfs/dbraw/zinc/11/76/64/727117664.db2.gz BPCXWVGAOBZLRL-UHFFFAOYSA-N 1 0 332.366 2.534 20 10 EFCDRO COc1cc(C)cc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c1O ZINC000915836916 727199262 /nfs/dbraw/zinc/19/92/62/727199262.db2.gz XRBNPBORUCUJOG-UHFFFAOYSA-N 1 0 346.471 2.934 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NCC[N@H+](C)C2CC2)cc1F ZINC000732889996 727269835 /nfs/dbraw/zinc/26/98/35/727269835.db2.gz DPNQYXTYNWWDES-UHFFFAOYSA-N 1 0 336.455 2.565 20 10 EFCDRO C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000092253549 727326803 /nfs/dbraw/zinc/32/68/03/727326803.db2.gz CVODJMSTNCKHAY-LLVKDONJSA-N 1 0 327.812 2.727 20 10 EFCDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155676753 727382151 /nfs/dbraw/zinc/38/21/51/727382151.db2.gz WVSSXSBFANTMGT-GOSISDBHSA-N 1 0 342.487 2.546 20 10 EFCDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910947569 727475420 /nfs/dbraw/zinc/47/54/20/727475420.db2.gz HEEWWZHHJIMSGC-UHFFFAOYSA-N 1 0 328.412 2.870 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3=CCCC3)cc2F)CC1 ZINC000153912306 727668581 /nfs/dbraw/zinc/66/85/81/727668581.db2.gz FLQBWDZDXAYANM-UHFFFAOYSA-N 1 0 331.435 2.694 20 10 EFCDRO C[NH+](C)CC1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000916587431 727698673 /nfs/dbraw/zinc/69/86/73/727698673.db2.gz HKWIPHJJCCLMTC-UHFFFAOYSA-N 1 0 344.503 2.770 20 10 EFCDRO Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(O)c1O ZINC000181948753 727862802 /nfs/dbraw/zinc/86/28/02/727862802.db2.gz MYVNYRYYEPXFFV-UHFFFAOYSA-N 1 0 340.423 2.932 20 10 EFCDRO COCC[NH+](CCOC)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000163818688 727888753 /nfs/dbraw/zinc/88/87/53/727888753.db2.gz WXQGXUHXSAGUGN-UHFFFAOYSA-N 1 0 325.449 2.793 20 10 EFCDRO CNC(=O)CCC[N@H+](C)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000157003878 728032911 /nfs/dbraw/zinc/03/29/11/728032911.db2.gz GQEZGEQOIRVGKW-UHFFFAOYSA-N 1 0 330.428 2.975 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000182404818 728145679 /nfs/dbraw/zinc/14/56/79/728145679.db2.gz MOPHIXKKACHZOO-DIFFPNOSSA-N 1 0 332.356 2.693 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1 ZINC000182406545 728146039 /nfs/dbraw/zinc/14/60/39/728146039.db2.gz INLORWVWLHROIH-QDEZUTFSSA-N 1 0 334.460 2.992 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCc2ccccc2C)c1 ZINC000182407136 728146075 /nfs/dbraw/zinc/14/60/75/728146075.db2.gz XBLDXUDCDNKXMC-AWEZNQCLSA-N 1 0 328.412 2.676 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCc2ccccc2C)c1 ZINC000182407156 728146178 /nfs/dbraw/zinc/14/61/78/728146178.db2.gz XBLDXUDCDNKXMC-CQSZACIVSA-N 1 0 328.412 2.676 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCc2cccc(C)c2)c1 ZINC000182412909 728146562 /nfs/dbraw/zinc/14/65/62/728146562.db2.gz DDZQWDHVZWPFLD-CQSZACIVSA-N 1 0 328.412 2.676 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COCc2ccccc2F)c1 ZINC000182444838 728162844 /nfs/dbraw/zinc/16/28/44/728162844.db2.gz WBQJMRAOMZXPIA-ZFWWWQNUSA-N 1 0 349.402 2.768 20 10 EFCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000227438020 728333262 /nfs/dbraw/zinc/33/32/62/728333262.db2.gz ACIPFSYDNDRHIB-UONOGXRCSA-N 1 0 325.250 2.871 20 10 EFCDRO CCNC(=O)C[NH2+]Cc1ccc(N(CC)Cc2ccccc2)cc1 ZINC000060833171 728433075 /nfs/dbraw/zinc/43/30/75/728433075.db2.gz VJAPBGOLIIVZMN-UHFFFAOYSA-N 1 0 325.456 2.939 20 10 EFCDRO COc1cccc(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)c1O ZINC000170790660 728479174 /nfs/dbraw/zinc/47/91/74/728479174.db2.gz VUPCJSUPEKVRAV-MRXNPFEDSA-N 1 0 341.329 2.941 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000171646203 728546986 /nfs/dbraw/zinc/54/69/86/728546986.db2.gz NSGLTNIVCNORIZ-OAHLLOKOSA-N 1 0 332.492 2.815 20 10 EFCDRO CCc1cc(CN2CCO[C@@H](CNC(C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000172169605 728571666 /nfs/dbraw/zinc/57/16/66/728571666.db2.gz VMUXHCAOMHDTSS-KRWDZBQOSA-N 1 0 348.487 2.589 20 10 EFCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000172935092 728611042 /nfs/dbraw/zinc/61/10/42/728611042.db2.gz WDRYMIQSFSEPJB-OAHLLOKOSA-N 1 0 348.487 2.549 20 10 EFCDRO CCCNC(=O)[C@@H](C)[N@H+](CC)Cc1cc(Br)ccc1O ZINC000174425191 728664508 /nfs/dbraw/zinc/66/45/08/728664508.db2.gz TUHWWZHMHCTFFO-LLVKDONJSA-N 1 0 343.265 2.891 20 10 EFCDRO Cc1ccc(O)c(C[NH2+]CCCN2C(=O)COc3ccccc32)c1 ZINC000174524408 728668751 /nfs/dbraw/zinc/66/87/51/728668751.db2.gz OPGQCASFFZZSGI-UHFFFAOYSA-N 1 0 326.396 2.606 20 10 EFCDRO COc1cc(O)c(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1OC ZINC000181524076 729027954 /nfs/dbraw/zinc/02/79/54/729027954.db2.gz KFSYYFFPCIYXBV-HNNXBMFYSA-N 1 0 346.427 2.929 20 10 EFCDRO COc1ccc(N2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)cc1 ZINC000033848589 729101242 /nfs/dbraw/zinc/10/12/42/729101242.db2.gz QRHMHUJWTTYJPN-UHFFFAOYSA-N 1 0 349.434 2.859 20 10 EFCDRO CCCC[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000920180242 729155634 /nfs/dbraw/zinc/15/56/34/729155634.db2.gz NLPMVXGBGJBXJN-UHFFFAOYSA-N 1 0 343.450 2.832 20 10 EFCDRO C[C@@H]1CN(c2ccc(CN[C@@H]3CC[NH2+]C3(C)C)cc2F)C[C@@H](C)O1 ZINC000925480432 729189570 /nfs/dbraw/zinc/18/95/70/729189570.db2.gz MDILVPPXWFCRMG-HBUWYVDXSA-N 1 0 335.467 2.669 20 10 EFCDRO CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000921118279 729262297 /nfs/dbraw/zinc/26/22/97/729262297.db2.gz OGOGQSRKRJGBGT-INIZCTEOSA-N 1 0 332.492 2.816 20 10 EFCDRO CC(C)[C@@H](C(=O)NCc1ccc(N(C)C)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000921202824 729270460 /nfs/dbraw/zinc/27/04/60/729270460.db2.gz GXVLFSJLZJQKNB-FCEWJHQRSA-N 1 0 347.503 2.503 20 10 EFCDRO Cc1cccc(C[N@@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000179882380 729645693 /nfs/dbraw/zinc/64/56/93/729645693.db2.gz GNMYORABUODAGP-ZDUSSCGKSA-N 1 0 334.441 2.541 20 10 EFCDRO Cc1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1O ZINC000180344305 729732635 /nfs/dbraw/zinc/73/26/35/729732635.db2.gz BCOZGBXEVBGTDA-CQSZACIVSA-N 1 0 328.372 2.690 20 10 EFCDRO CC[NH+](CC)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccco1 ZINC000180714728 729765534 /nfs/dbraw/zinc/76/55/34/729765534.db2.gz FVMPKXWFPBBXKU-HQPKTYMTSA-N 1 0 344.411 2.903 20 10 EFCDRO CC[NH+](CC)[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)CC(C)C ZINC000181076990 729778881 /nfs/dbraw/zinc/77/88/81/729778881.db2.gz SBMMUDZGFXIXDY-DZZUKKPASA-N 1 0 334.460 2.984 20 10 EFCDRO CCCCC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000901727602 980468168 /nfs/dbraw/zinc/46/81/68/980468168.db2.gz UBPMDXXOZNWZKF-SFHVURJKSA-N 1 0 333.476 2.562 20 10 EFCDRO CCOc1ccc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c(O)c1 ZINC000734845578 1126106849 /nfs/dbraw/zinc/10/68/49/1126106849.db2.gz VCQRVYKDXFMFJU-MRXNPFEDSA-N 1 0 340.423 2.965 20 10 EFCDRO CCOc1cccc(C[NH2+][C@](C)(CO)Cc2ccc(OC)cc2)c1O ZINC000873191863 1126119686 /nfs/dbraw/zinc/11/96/86/1126119686.db2.gz UBESEPPWHPXIQJ-FQEVSTJZSA-N 1 0 345.439 2.883 20 10 EFCDRO CC(C)(C[NH3+])C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001575310478 1088383782 /nfs/dbraw/zinc/38/37/82/1088383782.db2.gz KJOAEULPORLHJM-UHFFFAOYSA-N 1 0 331.420 2.686 20 10 EFCDRO C[C@@H](NC(=O)NCC[C@@H]1CCC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC001576207639 1089001833 /nfs/dbraw/zinc/00/18/33/1089001833.db2.gz PMPKJCBSZPXSEZ-HZPDHXFCSA-N 1 0 332.492 2.893 20 10 EFCDRO CC[C@@H](CC(F)(F)F)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001577043605 1089611797 /nfs/dbraw/zinc/61/17/97/1089611797.db2.gz KFBLNXTWHZBSPX-SMDDNHRTSA-N 1 0 331.382 2.847 20 10 EFCDRO CCOC(=O)c1cc(CN2CCCc3cc(C[NH3+])ccc32)[nH]c1C ZINC001578053838 1090237641 /nfs/dbraw/zinc/23/76/41/1090237641.db2.gz QKNMJBVFWHXUMR-UHFFFAOYSA-N 1 0 327.428 2.911 20 10 EFCDRO CN1CCCc2cc(CNC(=O)NC3(C[NH3+])CCCCC3)ccc21 ZINC001578530802 1090392701 /nfs/dbraw/zinc/39/27/01/1090392701.db2.gz RSVUXVCKEBKFBL-UHFFFAOYSA-N 1 0 330.476 2.530 20 10 EFCDRO C[NH2+][C@@H](C)CCNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC001578571951 1090400113 /nfs/dbraw/zinc/40/01/13/1090400113.db2.gz XZFGAEYQWWRPBL-ZDUSSCGKSA-N 1 0 327.428 2.634 20 10 EFCDRO C[NH2+]CCn1c(CC2CCCC2)nnc1N(C)Cc1ccccc1O ZINC001578726541 1090427551 /nfs/dbraw/zinc/42/75/51/1090427551.db2.gz DHUMZUSUUMIVKG-UHFFFAOYSA-N 1 0 343.475 2.572 20 10 EFCDRO CO/C(=C\c1ccccc1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001578764461 1090438779 /nfs/dbraw/zinc/43/87/79/1090438779.db2.gz WYSMSMROHSJATN-UZNZLNSGSA-N 1 0 339.439 2.556 20 10 EFCDRO COC(=O)COc1ccccc1CN1CCCc2cc(C[NH3+])ccc21 ZINC001578814869 1090447742 /nfs/dbraw/zinc/44/77/42/1090447742.db2.gz FCWKTVGXYIOWSK-UHFFFAOYSA-N 1 0 340.423 2.650 20 10 EFCDRO COC1CCN(c2ccc(CN[C@H]3[C@@H](C)[NH2+]CC[C@@H]3C)cc2)CC1 ZINC001578941059 1090483905 /nfs/dbraw/zinc/48/39/05/1090483905.db2.gz NUVYOUFADVJCQQ-RZQQEMMASA-N 1 0 331.504 2.778 20 10 EFCDRO COc1c(O)ccc(CN2CCCc3cc(C[NH3+])ccc32)c1[N+](=O)[O-] ZINC001579136224 1090522564 /nfs/dbraw/zinc/52/25/64/1090522564.db2.gz GEYQZXIIDIUMCD-UHFFFAOYSA-N 1 0 343.383 2.721 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[NH2+]CC3(C)C)c2C)cc1 ZINC001579185461 1090537850 /nfs/dbraw/zinc/53/78/50/1090537850.db2.gz LYLZUFFUIMCLFR-UHFFFAOYSA-N 1 0 341.455 2.927 20 10 EFCDRO Cc1cc(CCNC(=O)[C@@H](C)[NH2+]C2CC2)c(C)n1-c1ccccc1 ZINC001579593236 1090638374 /nfs/dbraw/zinc/63/83/74/1090638374.db2.gz XFVUKDUNYISQJS-OAHLLOKOSA-N 1 0 325.456 2.893 20 10 EFCDRO Cc1cc(CCNC(=O)[C@@H]2[C@@H]3C[NH2+]CC[C@@H]32)c(C)n1-c1ccccc1 ZINC001579593264 1090638512 /nfs/dbraw/zinc/63/85/12/1090638512.db2.gz XXHUXZOUXYRCLB-ZCNNSNEGSA-N 1 0 337.467 2.608 20 10 EFCDRO Cc1cc(CC(=O)N[C@H]2C[NH2+]CCC2(F)F)c(C)n1-c1ccccc1 ZINC001579589874 1090638571 /nfs/dbraw/zinc/63/85/71/1090638571.db2.gz PDTABIYUTKRHIX-KRWDZBQOSA-N 1 0 347.409 2.750 20 10 EFCDRO Cc1cc(CCNC(=O)NCCCC[NH3+])c(C)n1-c1ccccc1 ZINC001579593136 1090638641 /nfs/dbraw/zinc/63/86/41/1090638641.db2.gz VYVLZPLNAXZSME-UHFFFAOYSA-N 1 0 328.460 2.675 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@@H](C[NH3+])C2CC2)ccc1C ZINC001579661243 1090655420 /nfs/dbraw/zinc/65/54/20/1090655420.db2.gz QKUFDTDVGLGZJX-SFHVURJKSA-N 1 0 339.439 2.682 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@H](C[NH3+])C2CC2)ccc1C ZINC001579661242 1090655692 /nfs/dbraw/zinc/65/56/92/1090655692.db2.gz QKUFDTDVGLGZJX-GOSISDBHSA-N 1 0 339.439 2.682 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(Cl)cc2O)cc1-c1nn[nH]n1 ZINC001580028128 1090745432 /nfs/dbraw/zinc/74/54/32/1090745432.db2.gz ZTEMSDWRIRQDEP-UHFFFAOYSA-N 1 0 345.790 2.524 20 10 EFCDRO [NH3+][C@H](C(=O)NCc1cccc(Br)c1O)C1CCCCC1 ZINC001580113369 1090775318 /nfs/dbraw/zinc/77/53/18/1090775318.db2.gz HGDHDSIUKVOVJC-ZDUSSCGKSA-N 1 0 341.249 2.679 20 10 EFCDRO O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001580707960 1090989793 /nfs/dbraw/zinc/98/97/93/1090989793.db2.gz HIIXPVYVLXDRQX-INIZCTEOSA-N 1 0 345.830 2.559 20 10 EFCDRO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001580813388 1091017830 /nfs/dbraw/zinc/01/78/30/1091017830.db2.gz VHXGWMTTXLNDOH-QGZVFWFLSA-N 1 0 332.425 2.671 20 10 EFCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582816925 1091676008 /nfs/dbraw/zinc/67/60/08/1091676008.db2.gz URLZTYXXVOZJGU-UHFFFAOYSA-N 1 0 333.754 2.655 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cc(-c2nn[nH]n2)ccn1 ZINC001589971028 1093202577 /nfs/dbraw/zinc/20/25/77/1093202577.db2.gz UIHDPFNYNZKGOK-AWEZNQCLSA-N 1 0 349.442 2.713 20 10 EFCDRO C[N@H+](Cc1cc(Cl)cc(-c2nn[nH]n2)c1)Cc1ccccc1O ZINC001591130358 1093665913 /nfs/dbraw/zinc/66/59/13/1093665913.db2.gz KOYUCZRBYIERSW-UHFFFAOYSA-N 1 0 329.791 2.858 20 10 EFCDRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1c(O)ccc2ccncc21 ZINC001591145719 1093671303 /nfs/dbraw/zinc/67/13/03/1093671303.db2.gz KYFXBWGRCCVIBA-UHFFFAOYSA-N 1 0 346.394 2.753 20 10 EFCDRO COc1cc(C)c(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)c(O)c1 ZINC001591518631 1093747838 /nfs/dbraw/zinc/74/78/38/1093747838.db2.gz BZPYQYZNCMTGMZ-UHFFFAOYSA-N 1 0 339.399 2.521 20 10 EFCDRO COc1cc(C[NH2+][C@H](C)c2cc(F)ccc2O)ccc1-c1nn[nH]n1 ZINC001591533168 1093753819 /nfs/dbraw/zinc/75/38/19/1093753819.db2.gz JJTQWNIFHVXSCW-SNVBAGLBSA-N 1 0 343.362 2.571 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)cc1-c1nn[nH]n1 ZINC001591596273 1093785099 /nfs/dbraw/zinc/78/50/99/1093785099.db2.gz OKIHQXINOWVKAU-GFCCVEGCSA-N 1 0 339.399 2.740 20 10 EFCDRO COc1ccc(O)c(C[N@H+](C)[C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC001591618141 1093801181 /nfs/dbraw/zinc/80/11/81/1093801181.db2.gz FJUIVVFRJZCNSF-GFCCVEGCSA-N 1 0 339.399 2.774 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c1O ZINC000780893707 1094587151 /nfs/dbraw/zinc/58/71/51/1094587151.db2.gz ZDOSMRNFMYXRIB-MNOVXSKESA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c1O ZINC000780893709 1094587747 /nfs/dbraw/zinc/58/77/47/1094587747.db2.gz ZDOSMRNFMYXRIB-WDEREUQCSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)c(O)c1OC ZINC000893677159 1095719688 /nfs/dbraw/zinc/71/96/88/1095719688.db2.gz XYZBUCYXUGOMHB-UHFFFAOYSA-N 1 0 331.412 2.927 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2C)c1 ZINC001605302659 1097089327 /nfs/dbraw/zinc/08/93/27/1097089327.db2.gz FETOHWIQEQNKGR-LBPRGKRZSA-N 1 0 339.399 2.740 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(F)c1-c1nn[nH]n1 ZINC001605683759 1097193907 /nfs/dbraw/zinc/19/39/07/1097193907.db2.gz PUYMOZOHOFGXKS-UHFFFAOYSA-N 1 0 340.406 2.670 20 10 EFCDRO Oc1ccccc1C[NH+]1CCC(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001607112138 1097518635 /nfs/dbraw/zinc/51/86/35/1097518635.db2.gz WEEXBOYORFALDR-UHFFFAOYSA-N 1 0 335.411 2.952 20 10 EFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000007241703 1098246953 /nfs/dbraw/zinc/24/69/53/1098246953.db2.gz KWTUAKRBTLANCO-QZTJIDSGSA-N 1 0 329.488 2.881 20 10 EFCDRO O=C(c1ccc(O)c(O)c1)N1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001270037239 1098623058 /nfs/dbraw/zinc/62/30/58/1098623058.db2.gz HICXXHDWSBJBCY-UHFFFAOYSA-N 1 0 330.428 2.578 20 10 EFCDRO COc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(O)c1OC ZINC000894390249 1099193397 /nfs/dbraw/zinc/19/33/97/1099193397.db2.gz AVZALNDPGBSCDP-UHFFFAOYSA-N 1 0 346.383 2.992 20 10 EFCDRO COc1ccc(N2CC[NH+](CCc3cccc(C)n3)CC2)cc1F ZINC000827984233 1099344826 /nfs/dbraw/zinc/34/48/26/1099344826.db2.gz FCENVWUAGHFJSQ-UHFFFAOYSA-N 1 0 329.419 2.902 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H]1C(C)(C)C)cc2=O ZINC000729474032 1099518783 /nfs/dbraw/zinc/51/87/83/1099518783.db2.gz CAWNEBNKBCGMQZ-CQSZACIVSA-N 1 0 346.431 2.622 20 10 EFCDRO CC(C)[NH2+]CC[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001105086593 1099629352 /nfs/dbraw/zinc/62/93/52/1099629352.db2.gz QEXZXBWBPSAWLW-UKRRQHHQSA-N 1 0 345.447 2.945 20 10 EFCDRO Oc1cc(O)c(CCNc2ccc([C@@H]3CCC[NH2+]C3)cc2)cc1O ZINC001168016062 1100507952 /nfs/dbraw/zinc/50/79/52/1100507952.db2.gz JEDZUTDHLLUJGU-OAHLLOKOSA-N 1 0 328.412 2.925 20 10 EFCDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000843780932 1100557586 /nfs/dbraw/zinc/55/75/86/1100557586.db2.gz LTSFVWPLXWPFPH-PKNBQFBNSA-N 1 0 340.423 2.831 20 10 EFCDRO COC(=O)[C@@H](C)C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001208725305 1101452881 /nfs/dbraw/zinc/45/28/81/1101452881.db2.gz MWYVNJYCUQWKHZ-LBPRGKRZSA-N 1 0 346.349 2.516 20 10 EFCDRO COc1cc(Cl)nnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167423361 1101575219 /nfs/dbraw/zinc/57/52/19/1101575219.db2.gz WSBMRHWGYPCBGO-UHFFFAOYSA-N 1 0 347.850 2.503 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3cc(Cl)cc(N)n3)cc2)CC1 ZINC001167426219 1101584522 /nfs/dbraw/zinc/58/45/22/1101584522.db2.gz CDAGVXBTJRIUNB-UHFFFAOYSA-N 1 0 331.851 2.681 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ccc4ccc(N)nc4n3)cc2)CC1 ZINC001167431094 1101612884 /nfs/dbraw/zinc/61/28/84/1101612884.db2.gz GTZVAIFHWMNQKQ-UHFFFAOYSA-N 1 0 348.454 2.576 20 10 EFCDRO COc1nc(C)ccc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167434724 1101663279 /nfs/dbraw/zinc/66/32/79/1101663279.db2.gz UKBBHJCARTZHRP-UHFFFAOYSA-N 1 0 326.444 2.763 20 10 EFCDRO Cc1nc2cc(NCc3ccc(N4CC[NH+](C)CC4)cc3)cnc2o1 ZINC001167436815 1101707649 /nfs/dbraw/zinc/70/76/49/1101707649.db2.gz AMEJJJAFGNKPOC-UHFFFAOYSA-N 1 0 337.427 2.895 20 10 EFCDRO CC[C@H]([NH2+]C[C@H]1CCCNC1=O)c1cc(Br)ccc1O ZINC000840825814 1101754585 /nfs/dbraw/zinc/75/45/85/1101754585.db2.gz MUUROIBIVNHHEA-MFKMUULPSA-N 1 0 341.249 2.722 20 10 EFCDRO COCCNC(=O)C1([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000840824561 1101758176 /nfs/dbraw/zinc/75/81/76/1101758176.db2.gz KQUHMTKPKJOJQY-INIZCTEOSA-N 1 0 345.487 2.623 20 10 EFCDRO CC1CCC([NH+]2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)CC1 ZINC000588408029 1101984944 /nfs/dbraw/zinc/98/49/44/1101984944.db2.gz WQQUYVXBRVVDNV-UITAMQMPSA-N 1 0 344.455 2.834 20 10 EFCDRO C[C@]1(CF)CC(F)(F)CN1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001209846204 1102055545 /nfs/dbraw/zinc/05/55/45/1102055545.db2.gz RCXMONHGFDUPBH-MRXNPFEDSA-N 1 0 327.394 2.665 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cc(C3CC3)no2)cc1C ZINC001167465830 1102065979 /nfs/dbraw/zinc/06/59/79/1102065979.db2.gz UUPRFXXZAURQAB-UHFFFAOYSA-N 1 0 343.427 2.779 20 10 EFCDRO CCN1C[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])CC1=O ZINC000834892207 1102119668 /nfs/dbraw/zinc/11/96/68/1102119668.db2.gz UOJXHLOAYWWQTR-WPRPVWTQSA-N 1 0 345.212 2.565 20 10 EFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H]2CNC(=O)C2)cc1 ZINC000840954425 1102550510 /nfs/dbraw/zinc/55/05/10/1102550510.db2.gz DXBVMARYOXESFR-LJQANCHMSA-N 1 0 337.467 2.939 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCCCN(C(=O)[C@H](C)OC)C2)cc1C ZINC001088275304 1102582447 /nfs/dbraw/zinc/58/24/47/1102582447.db2.gz VPKGSPCHBXMBQF-FUHWJXTLSA-N 1 0 348.487 2.899 20 10 EFCDRO COc1ccc(N(Cc2ccccc2)C2(C[NH3+])COC2)c2[nH]ccc21 ZINC001167371085 1102905243 /nfs/dbraw/zinc/90/52/43/1102905243.db2.gz NQNAPZLSGLHANY-UHFFFAOYSA-N 1 0 337.423 2.911 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3nnc(C4CCC4)o3)cc2)CC1 ZINC000905428944 1103187885 /nfs/dbraw/zinc/18/78/85/1103187885.db2.gz PNHGNJIWIFIELP-UHFFFAOYSA-N 1 0 327.432 2.701 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](C4OCCO4)C3)c2c1 ZINC000905695679 1103542389 /nfs/dbraw/zinc/54/23/89/1103542389.db2.gz PCOYPHFLJTZGFZ-AWEZNQCLSA-N 1 0 329.396 2.749 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)COC(C)C)C[C@H]2C)cc1C ZINC001105902829 1104304775 /nfs/dbraw/zinc/30/47/75/1104304775.db2.gz LIQXNIOWYTZCQW-SJLPKXTDSA-N 1 0 348.487 2.613 20 10 EFCDRO Cc1cc(C(=O)N[C@H](C[NH+](C)C)C(C)C)c(C)n1-c1ccccn1 ZINC000729625251 1104617451 /nfs/dbraw/zinc/61/74/51/1104617451.db2.gz FFRJYPOHPRHBDS-QGZVFWFLSA-N 1 0 328.460 2.805 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000841719255 1104744816 /nfs/dbraw/zinc/74/48/16/1104744816.db2.gz HFFUQECFOKFXSE-CRAIPNDOSA-N 1 0 332.492 2.944 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3ccn(C)c3)C2)cc1C ZINC000988618218 1104876569 /nfs/dbraw/zinc/87/65/69/1104876569.db2.gz DLCVNPNBSQHQFN-MAUKXSAKSA-N 1 0 341.455 2.735 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000127673204 1105073746 /nfs/dbraw/zinc/07/37/46/1105073746.db2.gz BHOPIVSSFZXYBY-SFHVURJKSA-N 1 0 330.476 2.522 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3ccns3)C2)cc1C ZINC000988919214 1105378828 /nfs/dbraw/zinc/37/88/28/1105378828.db2.gz WQAFXVAIKQVZNM-DZGCQCFKSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3ccns3)C2)cc1C ZINC000988919216 1105379397 /nfs/dbraw/zinc/37/93/97/1105379397.db2.gz WQAFXVAIKQVZNM-HIFRSBDPSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](Cc3nc(C)no3)C2)c1O ZINC000897575482 1105767293 /nfs/dbraw/zinc/76/72/93/1105767293.db2.gz VKCOSHFEGKCEJX-CQSZACIVSA-N 1 0 331.416 2.855 20 10 EFCDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCCc1ccc(N)cc1 ZINC000841908252 1105903829 /nfs/dbraw/zinc/90/38/29/1105903829.db2.gz XZNSRDCVCUQVLH-SFHVURJKSA-N 1 0 332.492 2.621 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2[O-])CC[C@@]1(O)C(F)(F)F ZINC001142508976 1106040332 /nfs/dbraw/zinc/04/03/32/1106040332.db2.gz RKORSPDHWYYOPJ-OQPBUACISA-N 1 0 325.277 2.806 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000841970552 1106069719 /nfs/dbraw/zinc/06/97/19/1106069719.db2.gz NMJXKQQCAIVLPD-LJQANCHMSA-N 1 0 332.492 2.674 20 10 EFCDRO CN(C)c1ccc(CN(C(=O)NC[C@]2(C)CCC[NH2+]C2)C2CC2)cc1 ZINC000841970739 1106070247 /nfs/dbraw/zinc/07/02/47/1106070247.db2.gz PMZXNUZYUOOQPE-HXUWFJFHSA-N 1 0 344.503 2.816 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000841980840 1106076277 /nfs/dbraw/zinc/07/62/77/1106076277.db2.gz IETMPLQLLPZLQY-DLBZAZTESA-N 1 0 332.492 2.943 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000841980375 1106078775 /nfs/dbraw/zinc/07/87/75/1106078775.db2.gz OFFGUTAQTSHETL-UHFFFAOYSA-N 1 0 338.455 2.697 20 10 EFCDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC[NH2+]1 ZINC000841983928 1106097099 /nfs/dbraw/zinc/09/70/99/1106097099.db2.gz GIPMXMOGIZVELC-ZBFHGGJFSA-N 1 0 330.476 2.567 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000841984760 1106102374 /nfs/dbraw/zinc/10/23/74/1106102374.db2.gz HQXMRHQEXRQHGJ-UHFFFAOYSA-N 1 0 330.476 2.594 20 10 EFCDRO Cc1nn(C)c2nc(Cl)c(C[NH2+]CCc3ccc(N)cc3)cc12 ZINC000841036380 1106133882 /nfs/dbraw/zinc/13/38/82/1106133882.db2.gz MFDWGMGENHZSFE-UHFFFAOYSA-N 1 0 329.835 2.845 20 10 EFCDRO c1cc(N2CCOCC2)ccc1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897985677 1106186663 /nfs/dbraw/zinc/18/66/63/1106186663.db2.gz QLGVCRBJEMFXMU-UHFFFAOYSA-N 1 0 329.488 2.630 20 10 EFCDRO CCCCN(C)C(=O)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000054551486 1106201652 /nfs/dbraw/zinc/20/16/52/1106201652.db2.gz QQXSEDQTHITFLY-UHFFFAOYSA-N 1 0 348.443 2.591 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCN3CCC(C)(C)C3)CC2)cc1 ZINC000898034969 1106206393 /nfs/dbraw/zinc/20/63/93/1106206393.db2.gz DXJHFGVWAAHSRF-UHFFFAOYSA-N 1 0 331.504 2.986 20 10 EFCDRO C[C@H]1C[C@H]([NH2+]CCC2CC2)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000989839479 1106695444 /nfs/dbraw/zinc/69/54/44/1106695444.db2.gz ZNYFMVFXRQAXSJ-LRDDRELGSA-N 1 0 343.431 2.842 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]CCC2CC2)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000989839480 1106696167 /nfs/dbraw/zinc/69/61/67/1106696167.db2.gz ZNYFMVFXRQAXSJ-MLGOLLRUSA-N 1 0 343.431 2.842 20 10 EFCDRO CC[C@@H]([NH2+][C@H](C)CC(=O)NC)c1cc(Br)ccc1O ZINC000323066207 1106808871 /nfs/dbraw/zinc/80/88/71/1106808871.db2.gz VFQJAGGLJGXLBT-BXKDBHETSA-N 1 0 329.238 2.720 20 10 EFCDRO CCO[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000990048628 1107216446 /nfs/dbraw/zinc/21/64/46/1107216446.db2.gz CSYILZKYEQQHKB-IEBWSBKVSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2C(C)(C)O)cc1Br ZINC001233142293 1107657886 /nfs/dbraw/zinc/65/78/86/1107657886.db2.gz QFKWNMLZBIIECK-AWEZNQCLSA-N 1 0 344.249 2.899 20 10 EFCDRO CS(=O)(=O)c1ccccc1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000926905600 1107721284 /nfs/dbraw/zinc/72/12/84/1107721284.db2.gz MOGNTWOOUVGGQH-OAHLLOKOSA-N 1 0 331.437 2.615 20 10 EFCDRO COC(=O)c1ccc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1C ZINC000904353989 1107838648 /nfs/dbraw/zinc/83/86/48/1107838648.db2.gz SWTGYMXPQLEGGJ-IBGZPJMESA-N 1 0 341.455 2.637 20 10 EFCDRO N[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000904461456 1107936329 /nfs/dbraw/zinc/93/63/29/1107936329.db2.gz JVXLROLJVBFCSA-GDBMZVCRSA-N 1 0 333.229 2.869 20 10 EFCDRO CN1CC[C@]2(CCC[N@@H+]2Cc2cc3c4c(c2)CCCN4CCC3)C1=O ZINC001272364987 1108078415 /nfs/dbraw/zinc/07/84/15/1108078415.db2.gz WBXLUQQJUFVEEO-OAQYLSRUSA-N 1 0 339.483 2.582 20 10 EFCDRO CC[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001272385617 1108147489 /nfs/dbraw/zinc/14/74/89/1108147489.db2.gz DAEKAQGLYIKYHU-XJKSGUPXSA-N 1 0 332.444 2.615 20 10 EFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(O)ccc2O)N1CC1CCCC1 ZINC001272386515 1108148623 /nfs/dbraw/zinc/14/86/23/1108148623.db2.gz KCCYPTUTCLIQGI-QZTJIDSGSA-N 1 0 344.455 2.853 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001272414607 1108226177 /nfs/dbraw/zinc/22/61/77/1108226177.db2.gz IYSHRFIBNYRMFR-HXUWFJFHSA-N 1 0 329.488 2.833 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001272414606 1108226931 /nfs/dbraw/zinc/22/69/31/1108226931.db2.gz IYSHRFIBNYRMFR-FQEVSTJZSA-N 1 0 329.488 2.833 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000924655475 1108362264 /nfs/dbraw/zinc/36/22/64/1108362264.db2.gz SSHWUIBCMANBJR-UHFFFAOYSA-N 1 0 342.443 2.975 20 10 EFCDRO C[C@H]([NH2+]CC1CC2(C1)OCCO2)c1cc(Br)ccc1O ZINC000927002926 1108550814 /nfs/dbraw/zinc/55/08/14/1108550814.db2.gz HNEKLCSAZFJFOX-JTQLQIEISA-N 1 0 342.233 2.958 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cnn(C)c2C2CC2)N(C)C)cc1 ZINC000898448272 1108942184 /nfs/dbraw/zinc/94/21/84/1108942184.db2.gz RHKWVNDQFOJBFU-LJQANCHMSA-N 1 0 341.503 2.756 20 10 EFCDRO CC(C)Cn1nccc1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898448748 1108942726 /nfs/dbraw/zinc/94/27/26/1108942726.db2.gz WDCYSKRIZOGBPX-HXUWFJFHSA-N 1 0 343.519 2.998 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+][C@H](c2nccn2C)C2CC2)N(C)C)cc1 ZINC000898448725 1108942933 /nfs/dbraw/zinc/94/29/33/1108942933.db2.gz VQBKLNIRIDHKLB-MOPGFXCFSA-N 1 0 341.503 2.830 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cnn3ccccc23)N(C)C)cc1 ZINC000898450330 1108944410 /nfs/dbraw/zinc/94/44/10/1108944410.db2.gz ARBGGWXTVITTIF-FQEVSTJZSA-N 1 0 337.471 2.793 20 10 EFCDRO COC(=O)c1occc1CNC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898449873 1108944506 /nfs/dbraw/zinc/94/45/06/1108944506.db2.gz KUGTUMVHNAGZEZ-KRWDZBQOSA-N 1 0 345.443 2.525 20 10 EFCDRO C[C@H](CCn1cccn1)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898451361 1108944920 /nfs/dbraw/zinc/94/49/20/1108944920.db2.gz YDOBKMKJRROXAJ-VQIMIIECSA-N 1 0 329.492 2.620 20 10 EFCDRO COc1cc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)sn1 ZINC000898446773 1108948468 /nfs/dbraw/zinc/94/84/68/1108948468.db2.gz AHSHFVKCLNYBBN-INIZCTEOSA-N 1 0 334.489 2.610 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)N(C)C)cc1 ZINC000898448060 1108949446 /nfs/dbraw/zinc/94/94/46/1108949446.db2.gz OPRSPHBBQSAWEH-MUGJNUQGSA-N 1 0 343.515 2.903 20 10 EFCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898726533 1109067496 /nfs/dbraw/zinc/06/74/96/1109067496.db2.gz ZMPFGTRZWQMUOS-LLVKDONJSA-N 1 0 340.196 2.595 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2ccco2)[NH+](C)C)cc1 ZINC000899102254 1109202892 /nfs/dbraw/zinc/20/28/92/1109202892.db2.gz PCIHRKQKEZFRDL-GOSISDBHSA-N 1 0 344.459 2.790 20 10 EFCDRO CCC1(C)CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899105820 1109204528 /nfs/dbraw/zinc/20/45/28/1109204528.db2.gz ZIPTWTWKZPZRFN-KRWDZBQOSA-N 1 0 332.492 2.797 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC3(CCC3)C2)[NH+](C)C)cc1 ZINC000899105698 1109204765 /nfs/dbraw/zinc/20/47/65/1109204765.db2.gz YTOXVQLUERYGRZ-SFHVURJKSA-N 1 0 344.503 2.941 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@@H]3C[C@@H]32)[NH+](C)C)cc1 ZINC000899099374 1109207433 /nfs/dbraw/zinc/20/74/33/1109207433.db2.gz ZXLQMMMXQXJLRD-NJAFHUGGSA-N 1 0 330.476 2.549 20 10 EFCDRO C[C@@H](C1CC1)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100835 1109208489 /nfs/dbraw/zinc/20/84/89/1109208489.db2.gz FDABQIXDZQHYSW-KBXCAEBGSA-N 1 0 332.492 2.795 20 10 EFCDRO C[C@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@H]1C ZINC000899100494 1109208495 /nfs/dbraw/zinc/20/84/95/1109208495.db2.gz AGHQPJBZKZVJNE-DAYGRLMNSA-N 1 0 332.492 2.653 20 10 EFCDRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000128498170 1109269356 /nfs/dbraw/zinc/26/93/56/1109269356.db2.gz CFNWGHNKRHQYPZ-CQSZACIVSA-N 1 0 347.484 2.593 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=S)NC2(C)CCC2)[NH+](C)C)cc1 ZINC000899724298 1109453571 /nfs/dbraw/zinc/45/35/71/1109453571.db2.gz LZMMSGGPKWLGSI-INIZCTEOSA-N 1 0 334.533 2.762 20 10 EFCDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000176577013 1111342316 /nfs/dbraw/zinc/34/23/16/1111342316.db2.gz AMDJHZWSWGHCHH-JKSUJKDBSA-N 1 0 345.487 2.943 20 10 EFCDRO CC(C)(C)C(=O)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2O)C1=O ZINC001272618349 1111752061 /nfs/dbraw/zinc/75/20/61/1111752061.db2.gz GDTVTKHIQGVOTI-FQEVSTJZSA-N 1 0 344.455 2.574 20 10 EFCDRO CC(C)(C)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1O ZINC001272618676 1111753976 /nfs/dbraw/zinc/75/39/76/1111753976.db2.gz MLJKXMFAGJASOC-HZPDHXFCSA-N 1 0 344.455 2.573 20 10 EFCDRO CCOCCN1CC[C@]2(CCC[N@H+](Cc3ccccc3O)CC2)C1=O ZINC001272618674 1111754048 /nfs/dbraw/zinc/75/40/48/1111754048.db2.gz MESRJHZKEZHSMG-HXUWFJFHSA-N 1 0 346.471 2.633 20 10 EFCDRO CCOCCN1CC[C@@]2(CCC[N@H+](Cc3ccccc3O)CC2)C1=O ZINC001272618673 1111754131 /nfs/dbraw/zinc/75/41/31/1111754131.db2.gz MESRJHZKEZHSMG-FQEVSTJZSA-N 1 0 346.471 2.633 20 10 EFCDRO O=C(NCC(F)(F)F)[C@@H]1CC12CC[NH+](Cc1ccccc1O)CC2 ZINC001272618919 1111754723 /nfs/dbraw/zinc/75/47/23/1111754723.db2.gz PVZJHRDGXQFBMQ-ZDUSSCGKSA-N 1 0 342.361 2.673 20 10 EFCDRO CC[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC001272622281 1111758956 /nfs/dbraw/zinc/75/89/56/1111758956.db2.gz BVZASSUOJWRXFS-HOCLYGCPSA-N 1 0 346.471 2.918 20 10 EFCDRO CC[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3cccc(OC)c3O)C2)C1=O ZINC001272622461 1111759402 /nfs/dbraw/zinc/75/94/02/1111759402.db2.gz KMIKCJCKQWXMOB-IFXJQAMLSA-N 1 0 332.444 2.624 20 10 EFCDRO Cc1ccc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)NCC(F)F)CC2)c1 ZINC001272622514 1111759501 /nfs/dbraw/zinc/75/95/01/1111759501.db2.gz MLSUNVHYLOLLLV-AWEZNQCLSA-N 1 0 338.398 2.684 20 10 EFCDRO Cc1ccc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)NCC(F)F)CC2)c1 ZINC001272622515 1111759819 /nfs/dbraw/zinc/75/98/19/1111759819.db2.gz MLSUNVHYLOLLLV-CQSZACIVSA-N 1 0 338.398 2.684 20 10 EFCDRO CC[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cccc(OC)c2O)C1=O ZINC001272622649 1111759917 /nfs/dbraw/zinc/75/99/17/1111759917.db2.gz QILOGPLXMVGMNN-AUUYWEPGSA-N 1 0 332.444 2.766 20 10 EFCDRO Cc1ccc(O)c(C[NH+]2CCC3(CCN(CC(F)F)C3=O)CC2)c1 ZINC001272622764 1111760176 /nfs/dbraw/zinc/76/01/76/1111760176.db2.gz QYMZFQBYWQPZDQ-UHFFFAOYSA-N 1 0 338.398 2.780 20 10 EFCDRO CC[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cccc(OC)c2O)C1=O ZINC001272622651 1111760605 /nfs/dbraw/zinc/76/06/05/1111760605.db2.gz QILOGPLXMVGMNN-IFXJQAMLSA-N 1 0 332.444 2.766 20 10 EFCDRO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C)ccc1O ZINC001272623135 1111761057 /nfs/dbraw/zinc/76/10/57/1111761057.db2.gz XPRCOJXJGLYXKH-FOIQADDNSA-N 1 0 344.455 2.635 20 10 EFCDRO COC(C)(C)CN1CC[C@]2(CC[N@H+](Cc3cc(C)ccc3O)C2)C1=O ZINC001272623044 1111761403 /nfs/dbraw/zinc/76/14/03/1111761403.db2.gz VRINCSDDHFPLNM-FQEVSTJZSA-N 1 0 346.471 2.550 20 10 EFCDRO CCCCN1CC[C@]2(CC[N@H+](Cc3cccc(OC)c3O)C2)C1=O ZINC001272625085 1111765235 /nfs/dbraw/zinc/76/52/35/1111765235.db2.gz HHTLIUFVZJJGRJ-IBGZPJMESA-N 1 0 332.444 2.625 20 10 EFCDRO CC[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(OC)cc2O)C1=O ZINC001272625886 1111767864 /nfs/dbraw/zinc/76/78/64/1111767864.db2.gz PLZWIMCGDPPCMY-LIRRHRJNSA-N 1 0 332.444 2.766 20 10 EFCDRO CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(OC)ccc1O)CC2 ZINC001272636901 1111786475 /nfs/dbraw/zinc/78/64/75/1111786475.db2.gz HCWGZOAGZUJPTG-KRWDZBQOSA-N 1 0 346.471 2.919 20 10 EFCDRO CC[C@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(OC)ccc3O)C2)C1=O ZINC001272637004 1111786706 /nfs/dbraw/zinc/78/67/06/1111786706.db2.gz JBXQNJFYMQDOHZ-LIRRHRJNSA-N 1 0 332.444 2.624 20 10 EFCDRO CC(C)=CCN1CC[C@]2(CC[N@H+](Cc3ccc(O)c(C)c3O)C2)C1=O ZINC001272658074 1111934509 /nfs/dbraw/zinc/93/45/09/1111934509.db2.gz UHOFTMHKMLNDTC-FQEVSTJZSA-N 1 0 344.455 2.797 20 10 EFCDRO C[NH2+]Cc1cc(NCc2cc(Cl)c3cccnc3c2O)ncn1 ZINC001168521406 1111984376 /nfs/dbraw/zinc/98/43/76/1111984376.db2.gz BCCBHTOMCPGNNH-UHFFFAOYSA-N 1 0 329.791 2.715 20 10 EFCDRO COc1ccc(N2CCN(CC[NH+]3CCC(C)CC3)CC2)cc1F ZINC000154187730 1111985289 /nfs/dbraw/zinc/98/52/89/1111985289.db2.gz BSKOTVUVJYUUDC-UHFFFAOYSA-N 1 0 335.467 2.688 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000918210764 1112105619 /nfs/dbraw/zinc/10/56/19/1112105619.db2.gz UFXUBXICBFADBD-HKUYNNGSSA-N 1 0 344.503 2.959 20 10 EFCDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCCSc1nccs1 ZINC000154675998 1112107997 /nfs/dbraw/zinc/10/79/97/1112107997.db2.gz VUCNSOLQCMBMQO-ZDUSSCGKSA-N 1 0 342.534 2.609 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C(C)(C)[C@@H]2CCCCO2)cc1C ZINC001127528189 1112318699 /nfs/dbraw/zinc/31/86/99/1112318699.db2.gz ATECNMTWYYEOAQ-SFHVURJKSA-N 1 0 348.487 2.805 20 10 EFCDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(F)ccc3O)C2)nc1 ZINC000180178184 1112890640 /nfs/dbraw/zinc/89/06/40/1112890640.db2.gz PZPQWKVKPVATFJ-CYBMUJFWSA-N 1 0 332.335 2.521 20 10 EFCDRO CCC[N@H+](C)CCC(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089839918 1118129124 /nfs/dbraw/zinc/12/91/24/1118129124.db2.gz CNQOICBNIGIRAB-UHFFFAOYSA-N 1 0 348.466 2.595 20 10 EFCDRO CCCN(Cc1c(O)cccc1Br)C[C@@H]1CC[NH2+]C1 ZINC001236836941 1118160859 /nfs/dbraw/zinc/16/08/59/1118160859.db2.gz ZKVPTGRIHIAITR-GFCCVEGCSA-N 1 0 327.266 2.976 20 10 EFCDRO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1ccc(N(C)C)cc1 ZINC001272699300 1118278803 /nfs/dbraw/zinc/27/88/03/1118278803.db2.gz GBFANGJASQSWBZ-RARDXLECSA-N 1 0 341.499 2.974 20 10 EFCDRO CC[N@H+](C)C(C)(C)C(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089849028 1118313172 /nfs/dbraw/zinc/31/31/72/1118313172.db2.gz SRAZXHXJCMLHMT-UHFFFAOYSA-N 1 0 348.466 2.594 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C2CC2)C2CCCC2)c1 ZINC000182466645 1118613104 /nfs/dbraw/zinc/61/31/04/1118613104.db2.gz VPOVFCCTYMMLSO-ZDUSSCGKSA-N 1 0 332.444 2.985 20 10 EFCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)cc1Br ZINC001237676153 1118789938 /nfs/dbraw/zinc/78/99/38/1118789938.db2.gz GGAWOHAZVFHNRR-OLZOCXBDSA-N 1 0 332.213 2.758 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c(O)c1 ZINC000185110717 1119744337 /nfs/dbraw/zinc/74/43/37/1119744337.db2.gz TXTXFVCXPMCFTR-AWEZNQCLSA-N 1 0 348.468 2.802 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCO3)CC2(C)C)cc1C ZINC000995420927 1119800103 /nfs/dbraw/zinc/80/01/03/1119800103.db2.gz WSNGXCHCSZEWCA-ZWKOTPCHSA-N 1 0 346.471 2.509 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CC2(N3CCOCC3)CCCCC2)cc1 ZINC000072670358 1119949737 /nfs/dbraw/zinc/94/97/37/1119949737.db2.gz QIISTBDYSVHGOI-UHFFFAOYSA-N 1 0 331.504 2.877 20 10 EFCDRO CNC(=O)c1cccc(CC[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000185522354 1120220366 /nfs/dbraw/zinc/22/03/66/1120220366.db2.gz SWCIUFIPEZPBJD-CYBMUJFWSA-N 1 0 328.412 2.654 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cocn3)CC2(C)C)cc1C ZINC000995544882 1120258860 /nfs/dbraw/zinc/25/88/60/1120258860.db2.gz DYELDYFLXRPCHU-QGZVFWFLSA-N 1 0 343.427 2.632 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NCC[NH+]3CCCC3)c2C)cc1 ZINC000072937432 1120294894 /nfs/dbraw/zinc/29/48/94/1120294894.db2.gz QGZXFXYLTUJZJC-UHFFFAOYSA-N 1 0 341.455 2.928 20 10 EFCDRO CC(C)(C)CC[NH+]1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001032219416 1120338722 /nfs/dbraw/zinc/33/87/22/1120338722.db2.gz YTCGQTDPRFCCCM-UHFFFAOYSA-N 1 0 345.447 2.947 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2cccs2)[NH+](C)C)cc1 ZINC000038635164 1120556289 /nfs/dbraw/zinc/55/62/89/1120556289.db2.gz OEKCVIPUKWXFLV-QGZVFWFLSA-N 1 0 331.485 2.776 20 10 EFCDRO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC000945220659 1120679285 /nfs/dbraw/zinc/67/92/85/1120679285.db2.gz HEIMESJQLDPBKR-WFASDCNBSA-N 1 0 331.420 2.698 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000174215907 529781481 /nfs/dbraw/zinc/78/14/81/529781481.db2.gz KGQVJQJTUJWAKG-INIZCTEOSA-N 1 0 348.466 2.519 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C(=O)NCCF)c1O ZINC000281931249 301070437 /nfs/dbraw/zinc/07/04/37/301070437.db2.gz BACHLFLLRBCFKM-UWVGGRQHSA-N 1 0 347.228 2.588 20 10 EFCDRO CC[C@H]([NH2+][C@H](C)C[S@](C)=O)c1cc(Br)ccc1O ZINC000183861625 201037643 /nfs/dbraw/zinc/03/76/43/201037643.db2.gz BSYXDILSKIPLNI-ZMDDKVTMSA-N 1 0 334.279 2.962 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+][C@]2(CO)CCc3ccccc32)c1O ZINC000359962603 201120605 /nfs/dbraw/zinc/12/06/05/201120605.db2.gz WCAZNIWIWDMDGH-SFHVURJKSA-N 1 0 333.815 2.978 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066179664 238784533 /nfs/dbraw/zinc/78/45/33/238784533.db2.gz WFWYWGPODYQXLD-LJQANCHMSA-N 1 0 342.487 2.667 20 10 EFCDRO Cc1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c(C)n1-c1ccccn1 ZINC000105327132 238862949 /nfs/dbraw/zinc/86/29/49/238862949.db2.gz JEQMXKYRMCWMAP-INIZCTEOSA-N 1 0 326.444 2.655 20 10 EFCDRO CCOc1cccc(C[NH+]2CCN(c3ccccc3O)CC2)c1O ZINC000158534091 239010902 /nfs/dbraw/zinc/01/09/02/239010902.db2.gz AOQAIZPZOPRSSB-UHFFFAOYSA-N 1 0 328.412 2.819 20 10 EFCDRO O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159058767 239020845 /nfs/dbraw/zinc/02/08/45/239020845.db2.gz BSEZZWBGWNOVTL-QGZVFWFLSA-N 1 0 340.423 2.626 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159655335 239033175 /nfs/dbraw/zinc/03/31/75/239033175.db2.gz LPSVPZFMAQDEJI-FHWLQOOXSA-N 1 0 328.456 2.570 20 10 EFCDRO Nc1ccc(CC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000164535674 239114766 /nfs/dbraw/zinc/11/47/66/239114766.db2.gz WOHCLNFOKNWEJV-UHFFFAOYSA-N 1 0 341.430 2.731 20 10 EFCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)OCO2 ZINC000192374079 240041037 /nfs/dbraw/zinc/04/10/37/240041037.db2.gz ZVFXBSXMCOHOET-LIRRHRJNSA-N 1 0 327.380 2.988 20 10 EFCDRO COC(=O)C[C@@](C)([NH2+]Cc1ccc(N(C)C)cc1)c1ccncc1 ZINC000191905659 240010390 /nfs/dbraw/zinc/01/03/90/240010390.db2.gz FONPNQRSWHJRSM-LJQANCHMSA-N 1 0 327.428 2.716 20 10 EFCDRO O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192924802 240073678 /nfs/dbraw/zinc/07/36/78/240073678.db2.gz ILIKKBZBCRYRNZ-INIZCTEOSA-N 1 0 341.411 2.912 20 10 EFCDRO O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192924790 240074592 /nfs/dbraw/zinc/07/45/92/240074592.db2.gz ILIKKBZBCRYRNZ-MRXNPFEDSA-N 1 0 341.411 2.912 20 10 EFCDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000193069246 240082212 /nfs/dbraw/zinc/08/22/12/240082212.db2.gz DVWOWIDSHSSNOI-CABCVRRESA-N 1 0 332.444 2.824 20 10 EFCDRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3ccc(N)cc3)CC2)c1 ZINC000237720114 240246300 /nfs/dbraw/zinc/24/63/00/240246300.db2.gz IKZZGZVOTOZWLG-UHFFFAOYSA-N 1 0 338.455 2.728 20 10 EFCDRO Nc1ccc(CC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000237904672 240249337 /nfs/dbraw/zinc/24/93/37/240249337.db2.gz CEJSXBBEXHPMCM-MRXNPFEDSA-N 1 0 343.496 2.901 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1F ZINC000236956175 240235682 /nfs/dbraw/zinc/23/56/82/240235682.db2.gz LPCBWQNSPSGTSN-HNNXBMFYSA-N 1 0 333.451 2.678 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3CC34CC[NH2+]CC4)cc2)CC1 ZINC000236733216 240236846 /nfs/dbraw/zinc/23/68/46/240236846.db2.gz IGHTXAQCYCIJDT-IBGZPJMESA-N 1 0 341.499 2.929 20 10 EFCDRO COCC[NH2+]CCNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000237328769 240242948 /nfs/dbraw/zinc/24/29/48/240242948.db2.gz MKJZJAMMYDYIJI-UHFFFAOYSA-N 1 0 349.862 2.713 20 10 EFCDRO COc1cccc([C@@H](C[NH2+]Cc2cc(OC)ccc2O)N(C)C)c1 ZINC000237310338 240243582 /nfs/dbraw/zinc/24/35/82/240243582.db2.gz LDEMDNRYXKDCDI-GOSISDBHSA-N 1 0 330.428 2.802 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000249842730 240303117 /nfs/dbraw/zinc/30/31/17/240303117.db2.gz YHBKWECEJVKZOM-UHOSZYNNSA-N 1 0 327.472 2.824 20 10 EFCDRO CC[N@H+](CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1 ZINC000263681388 240388902 /nfs/dbraw/zinc/38/89/02/240388902.db2.gz KQYQOXXJEKMBSD-UHFFFAOYSA-N 1 0 344.503 2.911 20 10 EFCDRO Cc1ccc([C@@H](CNC(=O)NCc2ccccc2O)[NH+](C)C)cc1 ZINC000263768722 240391999 /nfs/dbraw/zinc/39/19/99/240391999.db2.gz SRSSFCVRGKMHAL-QGZVFWFLSA-N 1 0 327.428 2.803 20 10 EFCDRO Cc1ccc([C@H](CNC(=O)NCc2ccccc2O)[NH+](C)C)cc1 ZINC000263767388 240393649 /nfs/dbraw/zinc/39/36/49/240393649.db2.gz SRSSFCVRGKMHAL-KRWDZBQOSA-N 1 0 327.428 2.803 20 10 EFCDRO O=C(NCc1ccc(O)c(O)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000272318525 240657726 /nfs/dbraw/zinc/65/77/26/240657726.db2.gz JWXSGRJMBZWHPL-UHFFFAOYSA-N 1 0 326.396 2.624 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)Cc2ccccc2)c(O)c1 ZINC000273437463 240701120 /nfs/dbraw/zinc/70/11/20/240701120.db2.gz XKDUDQVTVNXDTP-HNNXBMFYSA-N 1 0 333.453 2.966 20 10 EFCDRO CN(C)c1ccc(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)cc1 ZINC000288375527 241009881 /nfs/dbraw/zinc/00/98/81/241009881.db2.gz FNDUDHYBYCUVQV-KRWDZBQOSA-N 1 0 341.455 2.853 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)OCCO)c(C(F)(F)F)c1 ZINC000288451564 241011759 /nfs/dbraw/zinc/01/17/59/241011759.db2.gz MZWKMPCIRNWRBR-UHFFFAOYSA-N 1 0 334.382 2.649 20 10 EFCDRO CC[N@@H+]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)[C@H](C)C1 ZINC000288467896 241013945 /nfs/dbraw/zinc/01/39/45/241013945.db2.gz OORQBYYOGKPYOK-OAHLLOKOSA-N 1 0 326.444 2.655 20 10 EFCDRO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2cccc(C)c2O)cc1OC ZINC000290761840 241019192 /nfs/dbraw/zinc/01/91/92/241019192.db2.gz BOEILWDEWQHHQB-HXUWFJFHSA-N 1 0 345.439 2.801 20 10 EFCDRO COc1ccc(C[NH2+]Cc2cc(Cl)cc(OC)c2O)c(OC)n1 ZINC000290897675 241020570 /nfs/dbraw/zinc/02/05/70/241020570.db2.gz LVPQXUWMBCDAOD-UHFFFAOYSA-N 1 0 338.791 2.756 20 10 EFCDRO COC[C@@]1(C[NH2+]Cc2cc(OC)ccc2O)OCCc2ccccc21 ZINC000291656413 241026792 /nfs/dbraw/zinc/02/67/92/241026792.db2.gz VADXINIZVGZDLY-HXUWFJFHSA-N 1 0 343.423 2.605 20 10 EFCDRO COCCOC1(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCOCC1 ZINC000296413764 241085841 /nfs/dbraw/zinc/08/58/41/241085841.db2.gz LBCWZSGKOAGOCR-INIZCTEOSA-N 1 0 336.476 2.615 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCn2cncn2)cc1 ZINC000296543463 241090291 /nfs/dbraw/zinc/09/02/91/241090291.db2.gz TZXWILJSCBIMGM-UHFFFAOYSA-N 1 0 327.457 2.766 20 10 EFCDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296638442 241093952 /nfs/dbraw/zinc/09/39/52/241093952.db2.gz CHNUNPARQJVJAU-KSSFIOAISA-N 1 0 343.496 2.999 20 10 EFCDRO COCC[C@H](CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296829323 241101570 /nfs/dbraw/zinc/10/15/70/241101570.db2.gz NQWWKISBHGYZMT-MRXNPFEDSA-N 1 0 334.485 2.872 20 10 EFCDRO COCC[C@@H](CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296829312 241102089 /nfs/dbraw/zinc/10/20/89/241102089.db2.gz NQWWKISBHGYZMT-INIZCTEOSA-N 1 0 334.485 2.872 20 10 EFCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000297011949 241108666 /nfs/dbraw/zinc/10/86/66/241108666.db2.gz UACJDDFQZXMMDR-MRXNPFEDSA-N 1 0 331.437 2.963 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1cc2c(cc1O)CCCC2 ZINC000297321061 241117485 /nfs/dbraw/zinc/11/74/85/241117485.db2.gz NIHCUEWZVVATJO-QAPCUYQASA-N 1 0 332.488 2.768 20 10 EFCDRO Cc1cc(C[NH2+][C@@]2(CO)CCOc3ccccc32)ccc1N(C)C ZINC000294362448 241045175 /nfs/dbraw/zinc/04/51/75/241045175.db2.gz ZYTIZQBPMFOUGQ-HXUWFJFHSA-N 1 0 326.440 2.821 20 10 EFCDRO COc1cc(Cl)cc(CN2CCC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000294702940 241050077 /nfs/dbraw/zinc/05/00/77/241050077.db2.gz DCCOADWGSLRPFV-CYBMUJFWSA-N 1 0 342.823 2.717 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@]2(CO)CCOC2)cc1 ZINC000295459076 241051679 /nfs/dbraw/zinc/05/16/79/241051679.db2.gz QTMLUAABXNXZNH-GOSISDBHSA-N 1 0 332.469 2.626 20 10 EFCDRO COCCO[C@H]1CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295653160 241060324 /nfs/dbraw/zinc/06/03/24/241060324.db2.gz DGBVIQFBCCXZEJ-FQEVSTJZSA-N 1 0 348.487 2.539 20 10 EFCDRO CN(C)c1ccc(C[N@H+](CC(=O)N(C)Cc2ccco2)C2CC2)cc1 ZINC000298718434 241158558 /nfs/dbraw/zinc/15/85/58/241158558.db2.gz NQOVJZFPSFHNDK-UHFFFAOYSA-N 1 0 341.455 2.969 20 10 EFCDRO C[C@@H](CC[NH+](C)C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299371316 241174781 /nfs/dbraw/zinc/17/47/81/241174781.db2.gz MOSDAQBAWVWMLY-HNNXBMFYSA-N 1 0 332.492 2.767 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)NCc2ccc3c[nH+]cn3c2)cc1 ZINC000297640903 241126886 /nfs/dbraw/zinc/12/68/86/241126886.db2.gz ILBZVVAOCLQTGQ-UHFFFAOYSA-N 1 0 337.427 2.742 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1cc2c(cc1O)CCCC2 ZINC000363866857 242283155 /nfs/dbraw/zinc/28/31/55/242283155.db2.gz JKKIUWOYSHRUEP-WMLDXEAASA-N 1 0 340.471 2.934 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)c(O)c1C ZINC000363860433 242284692 /nfs/dbraw/zinc/28/46/92/242284692.db2.gz URJSCYDVROZVIR-WMLDXEAASA-N 1 0 329.444 2.926 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)cc1F ZINC000366284702 242348923 /nfs/dbraw/zinc/34/89/23/242348923.db2.gz ONSRZXWCMOJVCL-KRWDZBQOSA-N 1 0 332.423 2.560 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(C)(c3nc(C)no3)CC2)cc1OC ZINC000364706420 242306505 /nfs/dbraw/zinc/30/65/05/242306505.db2.gz XXAZMNZTFRNOLT-UHFFFAOYSA-N 1 0 347.415 2.655 20 10 EFCDRO Oc1cc2c(cc1C[NH+]1CCC(n3cc(Cl)cn3)CC1)OCO2 ZINC000365035708 242315129 /nfs/dbraw/zinc/31/51/29/242315129.db2.gz CLRUWFWRXVNFEQ-UHFFFAOYSA-N 1 0 335.791 2.808 20 10 EFCDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000367681712 242387614 /nfs/dbraw/zinc/38/76/14/242387614.db2.gz DWNWUNXHVGJMDM-PXNSSMCTSA-N 1 0 329.488 2.582 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c1O ZINC000367659753 242387760 /nfs/dbraw/zinc/38/77/60/242387760.db2.gz WUNQIXOBTJYHLS-DYVFJYSZSA-N 1 0 335.787 2.638 20 10 EFCDRO CN1CC[NH+](CC2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)CC1 ZINC000367690941 242388015 /nfs/dbraw/zinc/38/80/15/242388015.db2.gz VJUZUVWLTPYELX-UHFFFAOYSA-N 1 0 337.895 2.505 20 10 EFCDRO Cc1cccc2c1OC[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC000367975354 242399269 /nfs/dbraw/zinc/39/92/69/242399269.db2.gz XGHPMGTXXOLBGV-LJQANCHMSA-N 1 0 338.451 2.925 20 10 EFCDRO C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(F)c(F)c1[O-] ZINC000187700803 296120664 /nfs/dbraw/zinc/12/06/64/296120664.db2.gz FMXAWWHUPADHDE-CYBMUJFWSA-N 1 0 341.446 2.595 20 10 EFCDRO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)c(F)c1[O-] ZINC000187714080 296121991 /nfs/dbraw/zinc/12/19/91/296121991.db2.gz LZJWTYQLWYDPSP-CHWSQXEVSA-N 1 0 328.403 2.558 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185365962 296131289 /nfs/dbraw/zinc/13/12/89/296131289.db2.gz GTWDTKVGDYTZFI-NWDGAFQWSA-N 1 0 346.302 2.986 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F ZINC000071819559 203118386 /nfs/dbraw/zinc/11/83/86/203118386.db2.gz UHYNEEFPYDLJMC-LJQANCHMSA-N 1 0 348.393 2.625 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1cc(Br)ccc1O ZINC000185109646 296146347 /nfs/dbraw/zinc/14/63/47/296146347.db2.gz JBVLNMODFJSOFG-WDEREUQCSA-N 1 0 341.249 2.816 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@@]3(CCc4ccccc43)C1)OCO2 ZINC000157202501 285381787 /nfs/dbraw/zinc/38/17/87/285381787.db2.gz ZLQYAMCIJSPSFH-FQEVSTJZSA-N 1 0 339.391 2.795 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192842755 287048657 /nfs/dbraw/zinc/04/86/57/287048657.db2.gz NMTLXAGDTDNWKK-NWDGAFQWSA-N 1 0 346.302 2.986 20 10 EFCDRO COc1ccc(N2CCC[N@@H+]([C@@H]3CCCN(C(C)C)C3=O)CC2)cc1 ZINC000177689351 274113486 /nfs/dbraw/zinc/11/34/86/274113486.db2.gz XWAXNBNFCBDIDC-LJQANCHMSA-N 1 0 345.487 2.607 20 10 EFCDRO CCCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC000279089085 276019505 /nfs/dbraw/zinc/01/95/05/276019505.db2.gz ABJRLGWCYXVWED-KHYOSLBOSA-N 1 0 335.444 2.949 20 10 EFCDRO C[C@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)C1CC[NH2+]CC1 ZINC000178863390 278162647 /nfs/dbraw/zinc/16/26/47/278162647.db2.gz LFMKBNWOHYXYNF-CQSZACIVSA-N 1 0 331.460 2.504 20 10 EFCDRO C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184900287 289954535 /nfs/dbraw/zinc/95/45/35/289954535.db2.gz NXDYIWKMYPOWDC-LBPRGKRZSA-N 1 0 346.302 2.987 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2N2CCOCC2)c1 ZINC000184986181 473292367 /nfs/dbraw/zinc/29/23/67/473292367.db2.gz XRFBIPGPEGTTDD-HNNXBMFYSA-N 1 0 327.428 2.783 20 10 EFCDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177058433 473296531 /nfs/dbraw/zinc/29/65/31/473296531.db2.gz CZCNVRRVISLCRY-CYBMUJFWSA-N 1 0 338.835 2.596 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000185110556 473332507 /nfs/dbraw/zinc/33/25/07/473332507.db2.gz FTWFZOGDJUMUFA-AWEZNQCLSA-N 1 0 348.468 2.802 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000185164332 473347244 /nfs/dbraw/zinc/34/72/44/473347244.db2.gz LHUSUFSQHUVJQB-ZIAGYGMSSA-N 1 0 326.396 2.857 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC(C)(C)C)cc2F)CC1 ZINC000150768628 473351800 /nfs/dbraw/zinc/35/18/00/473351800.db2.gz GDFYFJQFICBQGE-UHFFFAOYSA-N 1 0 336.455 2.565 20 10 EFCDRO C[C@H]([NH2+]CCCC(=O)N(C)C)c1ccc(Br)cc1O ZINC000185194468 473358162 /nfs/dbraw/zinc/35/81/62/473358162.db2.gz JODLMPBXVRQXAB-JTQLQIEISA-N 1 0 329.238 2.674 20 10 EFCDRO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000185201547 473361782 /nfs/dbraw/zinc/36/17/82/473361782.db2.gz QMKAFEMCHWEVNJ-AWEZNQCLSA-N 1 0 328.412 2.790 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000150938863 473383162 /nfs/dbraw/zinc/38/31/62/473383162.db2.gz ZRZQZBQIGQWTBX-KRWDZBQOSA-N 1 0 332.492 2.530 20 10 EFCDRO Cn1cncc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000113359171 473387951 /nfs/dbraw/zinc/38/79/51/473387951.db2.gz HFAAWEGINJYSEC-HNNXBMFYSA-N 1 0 334.851 2.533 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)c1 ZINC000185303589 473389422 /nfs/dbraw/zinc/38/94/22/473389422.db2.gz IUSNHVYEVQFLDQ-CQSZACIVSA-N 1 0 328.412 2.877 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000012776324 471795607 /nfs/dbraw/zinc/79/56/07/471795607.db2.gz UVIDFXPLAZOCHI-UHFFFAOYSA-N 1 0 343.427 2.993 20 10 EFCDRO COc1ccc(N2CC[NH+](CCc3scnc3C)CC2)cc1F ZINC000084866156 472223713 /nfs/dbraw/zinc/22/37/13/472223713.db2.gz JDXYEYXMUBMVLT-UHFFFAOYSA-N 1 0 335.448 2.964 20 10 EFCDRO COc1ccc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1F ZINC000084866798 472224264 /nfs/dbraw/zinc/22/42/64/472224264.db2.gz PKYLSNNIGXQIHL-SFHVURJKSA-N 1 0 330.403 2.690 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000043862644 472269401 /nfs/dbraw/zinc/26/94/01/472269401.db2.gz PDUNDUKOZHIMOT-UHFFFAOYSA-N 1 0 344.503 2.913 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000031730619 472391005 /nfs/dbraw/zinc/39/10/05/472391005.db2.gz YBQUGCPZKCQSHS-QGZVFWFLSA-N 1 0 346.500 2.916 20 10 EFCDRO CCOc1cccc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1O ZINC000116350336 472394596 /nfs/dbraw/zinc/39/45/96/472394596.db2.gz UUOWOUJUXCMNJG-MRXNPFEDSA-N 1 0 340.423 2.965 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cc1 ZINC000128133811 472406735 /nfs/dbraw/zinc/40/67/35/472406735.db2.gz YCRLDAWYNKXRSR-GOSISDBHSA-N 1 0 327.428 2.626 20 10 EFCDRO COCCC[N@H+](CCOC)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000128950459 472511963 /nfs/dbraw/zinc/51/19/63/472511963.db2.gz VLUIHVZVQALOKY-UHFFFAOYSA-N 1 0 329.824 2.733 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(C(N)=O)cc3)CC2)cc1 ZINC000102432685 472576947 /nfs/dbraw/zinc/57/69/47/472576947.db2.gz YCMRUXSMIBNNAZ-UHFFFAOYSA-N 1 0 339.439 2.553 20 10 EFCDRO Cc1cc(C(=O)NCCC2CC[NH+](C)CC2)c(C)n1-c1ccccn1 ZINC000102640591 472585735 /nfs/dbraw/zinc/58/57/35/472585735.db2.gz QZYQSYMONRPWSQ-UHFFFAOYSA-N 1 0 340.471 2.951 20 10 EFCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000119847157 472589732 /nfs/dbraw/zinc/58/97/32/472589732.db2.gz YABWIYYFRFJELC-LBPRGKRZSA-N 1 0 332.835 2.963 20 10 EFCDRO CC[C@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1ccc(N(C)C)cc1 ZINC000090395286 472613636 /nfs/dbraw/zinc/61/36/36/472613636.db2.gz GPBJLEIIUHMGPC-RDJZCZTQSA-N 1 0 343.475 2.546 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090455689 472620073 /nfs/dbraw/zinc/62/00/73/472620073.db2.gz GOAVVGNBTIRJMW-CZUORRHYSA-N 1 0 344.434 2.594 20 10 EFCDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000131073451 472648110 /nfs/dbraw/zinc/64/81/10/472648110.db2.gz SVUNRIZMZROMIR-MRXNPFEDSA-N 1 0 333.476 2.902 20 10 EFCDRO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(N2CCCCC2)cc1 ZINC000090884920 472663083 /nfs/dbraw/zinc/66/30/83/472663083.db2.gz VWEWWYRHTXWHOX-DNVCBOLYSA-N 1 0 328.460 2.795 20 10 EFCDRO CC[C@@H](C)NC(=O)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000156538735 472721474 /nfs/dbraw/zinc/72/14/74/472721474.db2.gz WGBMNMCOJOALRA-OAHLLOKOSA-N 1 0 333.476 2.558 20 10 EFCDRO CC[N@H+](CC[C@H]1CCOC1=O)Cc1cc(Br)ccc1O ZINC000120783927 472747132 /nfs/dbraw/zinc/74/71/32/472747132.db2.gz PLQADSXKUCXNMB-NSHDSACASA-N 1 0 342.233 2.930 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000073046609 472763795 /nfs/dbraw/zinc/76/37/95/472763795.db2.gz COEJBIUSLYBQPS-UHFFFAOYSA-N 1 0 332.492 2.770 20 10 EFCDRO O=S1(=O)CC[C@H](N(Cc2ccc(N3CCCCC3)cc2)C2CC2)C1 ZINC000157002210 472774971 /nfs/dbraw/zinc/77/49/71/472774971.db2.gz QDBJBZUSNLGMMY-IBGZPJMESA-N 1 0 348.512 2.828 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCC[N@@H+]1C ZINC000120996062 472780421 /nfs/dbraw/zinc/78/04/21/472780421.db2.gz XJPIFRMDXOIEDK-CYBMUJFWSA-N 1 0 341.249 2.597 20 10 EFCDRO COc1ccnc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000121050907 472789468 /nfs/dbraw/zinc/78/94/68/472789468.db2.gz JCROLPDQGRLALR-GOSISDBHSA-N 1 0 328.412 2.977 20 10 EFCDRO COc1ccnc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000121050703 472789806 /nfs/dbraw/zinc/78/98/06/472789806.db2.gz JCROLPDQGRLALR-SFHVURJKSA-N 1 0 328.412 2.977 20 10 EFCDRO CC[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1O ZINC000121086332 472794929 /nfs/dbraw/zinc/79/49/29/472794929.db2.gz ZAWVKZGHMGKYCV-UYAOXDASSA-N 1 0 340.467 2.852 20 10 EFCDRO COc1ccc(N2CCN(C(=O)Nc3ccncc3C)CC2)cc1F ZINC000121209019 472816968 /nfs/dbraw/zinc/81/69/68/472816968.db2.gz USSNVBMCFUQCGT-UHFFFAOYSA-N 1 0 344.390 2.892 20 10 EFCDRO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000092011089 472841282 /nfs/dbraw/zinc/84/12/82/472841282.db2.gz KEXNPLMGMUGYNX-BLLLJJGKSA-N 1 0 335.835 2.725 20 10 EFCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c(O)c1 ZINC000092070602 472850964 /nfs/dbraw/zinc/85/09/64/472850964.db2.gz VQBUNXNCAHKFOK-HNNXBMFYSA-N 1 0 330.432 2.685 20 10 EFCDRO CCCN(C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106584838 472868941 /nfs/dbraw/zinc/86/89/41/472868941.db2.gz AILNLWDVXAXVMP-UHFFFAOYSA-N 1 0 336.455 2.519 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CC(F)(F)F)cc2F)CC1 ZINC000106702059 472883220 /nfs/dbraw/zinc/88/32/20/472883220.db2.gz MKBDOEZVTFGALY-UHFFFAOYSA-N 1 0 347.356 2.536 20 10 EFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccncc1 ZINC000158078541 472890217 /nfs/dbraw/zinc/89/02/17/472890217.db2.gz AQUYJPDGNFRTOP-INIZCTEOSA-N 1 0 345.830 2.835 20 10 EFCDRO CCCOCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134265373 472890398 /nfs/dbraw/zinc/89/03/98/472890398.db2.gz ULYABUDKEYGRKH-HNNXBMFYSA-N 1 0 340.851 2.553 20 10 EFCDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cccc(OC)c2O)C1 ZINC000092400778 472906511 /nfs/dbraw/zinc/90/65/11/472906511.db2.gz RMVAFHXOBBDKLP-HOCLYGCPSA-N 1 0 334.460 2.918 20 10 EFCDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(OC)c2O)C1 ZINC000092400775 472906971 /nfs/dbraw/zinc/90/69/71/472906971.db2.gz RMVAFHXOBBDKLP-GOEBONIOSA-N 1 0 334.460 2.918 20 10 EFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)cc1F ZINC000121982756 472958991 /nfs/dbraw/zinc/95/89/91/472958991.db2.gz HTZIZQNWYMVORC-GOSISDBHSA-N 1 0 348.393 2.829 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000092704353 472967913 /nfs/dbraw/zinc/96/79/13/472967913.db2.gz IUDAPOCZHNCXOG-CQSZACIVSA-N 1 0 336.432 2.890 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1O ZINC000092706212 472968369 /nfs/dbraw/zinc/96/83/69/472968369.db2.gz FVOYDUHHZDRHIW-HNNXBMFYSA-N 1 0 334.460 2.775 20 10 EFCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000092710470 472970938 /nfs/dbraw/zinc/97/09/38/472970938.db2.gz JFPMEAHNDBVULY-HNNXBMFYSA-N 1 0 334.460 2.919 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CC3CCC3)cc2F)CC1 ZINC000080102944 472976559 /nfs/dbraw/zinc/97/65/59/472976559.db2.gz ISGFSOOGGVYEIA-UHFFFAOYSA-N 1 0 333.451 2.774 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(-n2cnnn2)cc1 ZINC000122474833 473019256 /nfs/dbraw/zinc/01/92/56/473019256.db2.gz HZFKFPDVZVZJRT-CYBMUJFWSA-N 1 0 340.406 2.718 20 10 EFCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000093134107 473049336 /nfs/dbraw/zinc/04/93/36/473049336.db2.gz FDSYTTCIVVMGLN-LBPRGKRZSA-N 1 0 332.835 2.963 20 10 EFCDRO OCC[N@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CCc2ccccc21 ZINC000093388078 473101204 /nfs/dbraw/zinc/10/12/04/473101204.db2.gz WTHICHLGBWQVPN-INIZCTEOSA-N 1 0 327.380 2.603 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H]3C[C@@H](C)N(C4CC4)C3)CC2)cc1 ZINC000123154957 473104362 /nfs/dbraw/zinc/10/43/62/473104362.db2.gz NTMDEVQECPYJCV-NVXWUHKLSA-N 1 0 329.488 2.879 20 10 EFCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](CO)c2ccc(OC)cc2)c1 ZINC000093415748 473105212 /nfs/dbraw/zinc/10/52/12/473105212.db2.gz PRYGOWIBTYYEPK-GOSISDBHSA-N 1 0 331.412 2.965 20 10 EFCDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC000093613676 473126418 /nfs/dbraw/zinc/12/64/18/473126418.db2.gz IOUHJWHLHXCWLD-CVEARBPZSA-N 1 0 325.836 2.798 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCCN(c3nc(C)ns3)CC2)c1O ZINC000093716844 473137406 /nfs/dbraw/zinc/13/74/06/473137406.db2.gz JQARURMOQFRFPG-UHFFFAOYSA-N 1 0 348.472 2.663 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000093818037 473149402 /nfs/dbraw/zinc/14/94/02/473149402.db2.gz SENVANJCLHQZMN-LJQANCHMSA-N 1 0 331.504 2.687 20 10 EFCDRO CCc1nsc(N2CCC[N@H+](Cc3cc(C)ccc3O)CC2)n1 ZINC000093871619 473156456 /nfs/dbraw/zinc/15/64/56/473156456.db2.gz ZBSMLFRAIZSFNT-UHFFFAOYSA-N 1 0 332.473 2.827 20 10 EFCDRO Cn1c(CC[NH2+]Cc2ccc3c(c2)CCO3)nc2cc(F)ccc21 ZINC000123885372 473195131 /nfs/dbraw/zinc/19/51/31/473195131.db2.gz ZSBCUKKTJBALSK-UHFFFAOYSA-N 1 0 325.387 2.980 20 10 EFCDRO COc1ccccc1[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000111236126 473197864 /nfs/dbraw/zinc/19/78/64/473197864.db2.gz DNAHWHYPMRDOIU-CQSZACIVSA-N 1 0 328.412 2.710 20 10 EFCDRO Cc1nn(C)c(C)c1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000111233025 473197929 /nfs/dbraw/zinc/19/79/29/473197929.db2.gz VPZXCNJLNKVCGB-KRWDZBQOSA-N 1 0 329.444 2.924 20 10 EFCDRO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1O ZINC000111236332 473198432 /nfs/dbraw/zinc/19/84/32/473198432.db2.gz WDDAMFHZARXHMH-UHFFFAOYSA-N 1 0 349.452 2.697 20 10 EFCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000151063149 473403387 /nfs/dbraw/zinc/40/33/87/473403387.db2.gz QQLKMVZEGOBJNT-AWEZNQCLSA-N 1 0 326.444 2.781 20 10 EFCDRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185512026 473446774 /nfs/dbraw/zinc/44/67/74/473446774.db2.gz FKGZUQCNQGRLFD-IGJMFERPSA-N 1 0 334.279 2.918 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cnn(C)c1 ZINC000151559481 473472831 /nfs/dbraw/zinc/47/28/31/473472831.db2.gz MBLDGVBGPNNDSN-FQEVSTJZSA-N 1 0 342.487 2.870 20 10 EFCDRO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(Br)cc1O ZINC000185639323 473474642 /nfs/dbraw/zinc/47/46/42/473474642.db2.gz MPDOOBFVVKCAIH-TVQRCGJNSA-N 1 0 332.263 2.673 20 10 EFCDRO COc1ccc(O)c(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000114541971 473480470 /nfs/dbraw/zinc/48/04/70/473480470.db2.gz BUPUTYAAQKBFAK-GOSISDBHSA-N 1 0 340.423 2.682 20 10 EFCDRO C[N@H+](CCNC(=O)NCc1ccc(N2CC=CC2)cc1)C1CCCC1 ZINC000126744737 473542437 /nfs/dbraw/zinc/54/24/37/473542437.db2.gz ATECKFDMFVVKJS-UHFFFAOYSA-N 1 0 342.487 2.736 20 10 EFCDRO Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c(C)n1-c1ccccn1 ZINC000115441731 473570110 /nfs/dbraw/zinc/57/01/10/473570110.db2.gz UKOTUADLNUGFPB-QGZVFWFLSA-N 1 0 340.471 2.903 20 10 EFCDRO Nc1ccc(CCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000152560862 473577090 /nfs/dbraw/zinc/57/70/90/473577090.db2.gz XVSQHFFHYZBEHM-HXUWFJFHSA-N 1 0 337.467 2.982 20 10 EFCDRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3cc(Cl)ccc3O)C2=O)n(C)n1 ZINC000186083085 473586628 /nfs/dbraw/zinc/58/66/28/473586628.db2.gz RCUWAQXPWJRCFK-BXUZGUMPSA-N 1 0 348.834 2.544 20 10 EFCDRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3cc(Cl)ccc3O)C2=O)n(C)n1 ZINC000186083029 473586730 /nfs/dbraw/zinc/58/67/30/473586730.db2.gz RCUWAQXPWJRCFK-FZMZJTMJSA-N 1 0 348.834 2.544 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cc(Br)ccc1O ZINC000186088005 473587706 /nfs/dbraw/zinc/58/77/06/473587706.db2.gz OJKZNLCFNYBYLP-GXSJLCMTSA-N 1 0 339.233 2.569 20 10 EFCDRO CC[NH+](CC)CCCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000152819498 473594829 /nfs/dbraw/zinc/59/48/29/473594829.db2.gz DENAAGPZTTZCJK-UHFFFAOYSA-N 1 0 330.476 2.594 20 10 EFCDRO COCCC(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000186127945 473596997 /nfs/dbraw/zinc/59/69/97/473596997.db2.gz UZKFOMQIZDSVIJ-GFCCVEGCSA-N 1 0 340.851 2.724 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc(F)ccc1O ZINC000186144721 473599897 /nfs/dbraw/zinc/59/98/97/473599897.db2.gz HRVULQDTYMUXDU-BXKDBHETSA-N 1 0 334.313 2.735 20 10 EFCDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000186223398 473621039 /nfs/dbraw/zinc/62/10/39/473621039.db2.gz NTZDBLMOJZKIRM-SECBINFHSA-N 1 0 329.238 2.578 20 10 EFCDRO O=C1NCCN1C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000127567442 473627630 /nfs/dbraw/zinc/62/76/30/473627630.db2.gz VGQBLUZZKZCFGS-UHFFFAOYSA-N 1 0 342.487 2.667 20 10 EFCDRO C[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)C[NH+]1CCCC1 ZINC000153812594 473643977 /nfs/dbraw/zinc/64/39/77/473643977.db2.gz ZFZLDPVHWXDTMO-QGZVFWFLSA-N 1 0 342.487 2.594 20 10 EFCDRO Cc1ncsc1/C=C/C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000186478576 473679402 /nfs/dbraw/zinc/67/94/02/473679402.db2.gz ZHXRWCLKKMRIEN-HVHJFMEUSA-N 1 0 327.453 2.984 20 10 EFCDRO Cc1ccc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c(O)c1O ZINC000179495452 473691566 /nfs/dbraw/zinc/69/15/66/473691566.db2.gz AHBJCJAIKIJAQA-UHFFFAOYSA-N 1 0 344.411 2.736 20 10 EFCDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 ZINC000269118541 473700127 /nfs/dbraw/zinc/70/01/27/473700127.db2.gz IKCSXFSCPHHLND-OAHLLOKOSA-N 1 0 327.428 2.537 20 10 EFCDRO Cc1cc(Br)cc(C[NH+]2CCC(CC(N)=O)CC2)c1O ZINC000179720126 473713462 /nfs/dbraw/zinc/71/34/62/473713462.db2.gz AWEWRWDSALIZIT-UHFFFAOYSA-N 1 0 341.249 2.551 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(F)cc1[O-] ZINC000287623426 473716386 /nfs/dbraw/zinc/71/63/86/473716386.db2.gz TUFHLWLWJKZPMA-ZFWWWQNUSA-N 1 0 335.423 2.862 20 10 EFCDRO C[C@H](NC(=O)NCc1ccccc1O)[C@@H](c1ccccc1)[NH+](C)C ZINC000287695014 473737082 /nfs/dbraw/zinc/73/70/82/473737082.db2.gz XHKBKRCUMZUBFH-KSSFIOAISA-N 1 0 327.428 2.883 20 10 EFCDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000263258876 473746019 /nfs/dbraw/zinc/74/60/19/473746019.db2.gz LPQMPFJBEPGHCB-FUHWJXTLSA-N 1 0 329.488 2.924 20 10 EFCDRO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1=O ZINC000179888724 473749296 /nfs/dbraw/zinc/74/92/96/473749296.db2.gz BUOKMEQQJHDNKB-DZGCQCFKSA-N 1 0 326.396 2.857 20 10 EFCDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cccc(O)c1O ZINC000186763612 473751314 /nfs/dbraw/zinc/75/13/14/473751314.db2.gz FNLOPLYWOGFWOS-MRXNPFEDSA-N 1 0 326.396 2.665 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCCN(C(=O)OCC(C)C)CC2)c1 ZINC000179944624 473759944 /nfs/dbraw/zinc/75/99/44/473759944.db2.gz BRMNEZDTTRYXFW-UHFFFAOYSA-N 1 0 336.432 2.701 20 10 EFCDRO C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)C(=O)N1CCCC1 ZINC000281558131 473764190 /nfs/dbraw/zinc/76/41/90/473764190.db2.gz JQQRTZAPQSEDBB-QWRGUYRKSA-N 1 0 341.249 2.816 20 10 EFCDRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000274232935 473768512 /nfs/dbraw/zinc/76/85/12/473768512.db2.gz UPPGAWFSGCITPL-ZDUSSCGKSA-N 1 0 335.400 2.675 20 10 EFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)cc1 ZINC000179996606 473772070 /nfs/dbraw/zinc/77/20/70/473772070.db2.gz VOUSNGGAHBKDIQ-CRAIPNDOSA-N 1 0 334.460 2.715 20 10 EFCDRO COc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000180067887 473790508 /nfs/dbraw/zinc/79/05/08/473790508.db2.gz SQMMTACPROJMOF-CQSZACIVSA-N 1 0 336.432 2.842 20 10 EFCDRO COc1ccc(CN2CCC[N@H+](Cc3ccccc3O)CC2=O)cc1 ZINC000274415936 473813062 /nfs/dbraw/zinc/81/30/62/473813062.db2.gz NJWZELIKRTVVAA-UHFFFAOYSA-N 1 0 340.423 2.635 20 10 EFCDRO Cc1cc(C(=O)CN2CC[C@@H](CO)C2)c(C)n1-c1cccc(F)c1 ZINC000269496376 473824234 /nfs/dbraw/zinc/82/42/34/473824234.db2.gz ZUWNWZYPIIHVPH-OAHLLOKOSA-N 1 0 330.403 2.730 20 10 EFCDRO COc1ccc(OC)c(C[N@H+](CCO)Cc2cccc(C)c2O)c1 ZINC000180220265 473831778 /nfs/dbraw/zinc/83/17/78/473831778.db2.gz KHBXGVZXWYWFSX-UHFFFAOYSA-N 1 0 331.412 2.712 20 10 EFCDRO C[C@@H](C[NH+](C)C)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000288037354 473832080 /nfs/dbraw/zinc/83/20/80/473832080.db2.gz ODQNCYCAGCQWAT-INIZCTEOSA-N 1 0 332.492 2.768 20 10 EFCDRO Cc1cc(Br)cc(CN2CC[C@H](C[NH+](C)C)C2)c1O ZINC000180230004 473833694 /nfs/dbraw/zinc/83/36/94/473833694.db2.gz GGCKISAZPWNTSE-GFCCVEGCSA-N 1 0 327.266 2.847 20 10 EFCDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cccc(O)c1O ZINC000187218083 473838248 /nfs/dbraw/zinc/83/82/48/473838248.db2.gz CQICZKCLOGXDNS-UHFFFAOYSA-N 1 0 326.396 2.988 20 10 EFCDRO COCC[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187214910 473838268 /nfs/dbraw/zinc/83/82/68/473838268.db2.gz VKARHEOVAKHWGL-ABAIWWIYSA-N 1 0 346.265 2.901 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)c1 ZINC000180324083 473853374 /nfs/dbraw/zinc/85/33/74/473853374.db2.gz BCLZOPNFTUNCAL-UHFFFAOYSA-N 1 0 347.846 2.767 20 10 EFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC(=O)NCC2CC2)c1O ZINC000187530810 473881432 /nfs/dbraw/zinc/88/14/32/473881432.db2.gz VPVBZOALIGRRAN-SNVBAGLBSA-N 1 0 341.249 2.640 20 10 EFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C[S@](C)=O)c1O ZINC000187540827 473883023 /nfs/dbraw/zinc/88/30/23/473883023.db2.gz LKISPBIXTZTTJJ-MHNGPXOMSA-N 1 0 334.279 2.881 20 10 EFCDRO C[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cnnn3C)cc2Cl)C1 ZINC000281916338 473883614 /nfs/dbraw/zinc/88/36/14/473883614.db2.gz GOQOVUXSEWGGPN-CYBMUJFWSA-N 1 0 333.867 2.995 20 10 EFCDRO C[C@H]1CCCN(c2ccc(C[NH2+]Cc3cnnn3C)cc2Cl)C1 ZINC000281916344 473883980 /nfs/dbraw/zinc/88/39/80/473883980.db2.gz GOQOVUXSEWGGPN-ZDUSSCGKSA-N 1 0 333.867 2.995 20 10 EFCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000274596328 473888516 /nfs/dbraw/zinc/88/85/16/473888516.db2.gz JDXMEFVLMAOWHI-HNNXBMFYSA-N 1 0 333.476 2.511 20 10 EFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCF)c1O ZINC000281933045 473888805 /nfs/dbraw/zinc/88/88/05/473888805.db2.gz BACHLFLLRBCFKM-ZJUUUORDSA-N 1 0 347.228 2.588 20 10 EFCDRO CCc1nsc(N2CCC[N@H+](Cc3cc(OC)ccc3O)CC2)n1 ZINC000180672244 473937950 /nfs/dbraw/zinc/93/79/50/473937950.db2.gz FPFVWOUPPQLRKF-UHFFFAOYSA-N 1 0 348.472 2.527 20 10 EFCDRO Cc1cc(Br)cc(C[N@@H+](C)CCNC(=O)C(C)C)c1O ZINC000180796870 473967692 /nfs/dbraw/zinc/96/76/92/473967692.db2.gz XHDVPADWXPUUTG-UHFFFAOYSA-N 1 0 343.265 2.667 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+][C@]2(CO)CCOc3ccccc32)c1O ZINC000282167566 473968763 /nfs/dbraw/zinc/96/87/63/473968763.db2.gz DUGUKJQPUDOJRA-SFHVURJKSA-N 1 0 349.814 2.814 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000180885657 473980061 /nfs/dbraw/zinc/98/00/61/473980061.db2.gz UVOUIBKOFJLJPC-PMGBHYCQSA-N 1 0 342.395 2.657 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000181237637 474018075 /nfs/dbraw/zinc/01/80/75/474018075.db2.gz OMJKSYTZKXKQEA-LTBXPFIXSA-N 1 0 342.439 2.586 20 10 EFCDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181236014 474018299 /nfs/dbraw/zinc/01/82/99/474018299.db2.gz OAUFMOGLCGYUEV-IQIBNGDESA-N 1 0 332.444 2.595 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000188280954 474043206 /nfs/dbraw/zinc/04/32/06/474043206.db2.gz IBNNKOIBRDXWTF-HXUWFJFHSA-N 1 0 330.472 2.914 20 10 EFCDRO COC[C@@H]1CN(Cc2cc(Br)cc(C)c2O)C[C@H](C)O1 ZINC000188361628 474071044 /nfs/dbraw/zinc/07/10/44/474071044.db2.gz YXDAQTSUKYQMTH-FZMZJTMJSA-N 1 0 344.249 2.699 20 10 EFCDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cccc(O)c2O)CC1 ZINC000188366834 474072093 /nfs/dbraw/zinc/07/20/93/474072093.db2.gz HAYBDBINCSNHJJ-UHFFFAOYSA-N 1 0 341.411 2.856 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)CC[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000270331878 474075868 /nfs/dbraw/zinc/07/58/68/474075868.db2.gz LSNIHADCXMGWKB-GOSISDBHSA-N 1 0 329.488 2.929 20 10 EFCDRO O=S(=O)(CC[NH2+]Cc1c(O)cccc1Cl)Cc1ccccc1 ZINC000264938043 474162400 /nfs/dbraw/zinc/16/24/00/474162400.db2.gz FBOBCQMRGNVNGQ-UHFFFAOYSA-N 1 0 339.844 2.750 20 10 EFCDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(OC)c1O ZINC000265116738 474167854 /nfs/dbraw/zinc/16/78/54/474167854.db2.gz ZCSOFEKEKLYMLQ-UHFFFAOYSA-N 1 0 332.356 2.998 20 10 EFCDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000289209920 474184317 /nfs/dbraw/zinc/18/43/17/474184317.db2.gz BXNKQJYSIHJLLG-ZDUSSCGKSA-N 1 0 337.725 2.973 20 10 EFCDRO COc1cccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)c1O ZINC000289381433 474246659 /nfs/dbraw/zinc/24/66/59/474246659.db2.gz CNVIDSBPWDDYKV-JTQLQIEISA-N 1 0 340.221 2.538 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000275664708 474272260 /nfs/dbraw/zinc/27/22/60/474272260.db2.gz PBMKGWLPGMLJOF-INIZCTEOSA-N 1 0 342.443 2.566 20 10 EFCDRO COC(=O)[C@@H](C)Oc1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000289443141 474273227 /nfs/dbraw/zinc/27/32/27/474273227.db2.gz MCKZGXVBXHUGAR-CYBMUJFWSA-N 1 0 345.395 2.631 20 10 EFCDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)Cc2ccc(N)cc2)c1 ZINC000236663758 474278425 /nfs/dbraw/zinc/27/84/25/474278425.db2.gz PXEHAPILRDPVKV-UHFFFAOYSA-N 1 0 325.456 2.968 20 10 EFCDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2c(cc1O)OCO2 ZINC000283048039 474284208 /nfs/dbraw/zinc/28/42/08/474284208.db2.gz OQAJUEJXNSIONK-CABCVRRESA-N 1 0 339.395 2.675 20 10 EFCDRO CCOCc1cc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)ccc1OC ZINC000275707280 474290263 /nfs/dbraw/zinc/29/02/63/474290263.db2.gz YBCLRFKEZYCYBB-WMZOPIPTSA-N 1 0 345.443 2.585 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(OC)c(O)c2)cc1C ZINC000289496964 474298230 /nfs/dbraw/zinc/29/82/30/474298230.db2.gz SLIPZHMBNYTSIH-QGZVFWFLSA-N 1 0 345.439 2.659 20 10 EFCDRO COc1cc(O)c(CN(CC[NH+](C)C)Cc2ccco2)cc1OC ZINC000289574081 474328736 /nfs/dbraw/zinc/32/87/36/474328736.db2.gz ZYIFWGDLCWUDKE-UHFFFAOYSA-N 1 0 334.416 2.566 20 10 EFCDRO COc1c(O)c(C[NH2+]C(C)(C)c2c(C)noc2C)ccc1[N+](=O)[O-] ZINC000289690515 474379317 /nfs/dbraw/zinc/37/93/17/474379317.db2.gz FLOPBFJPAWGGMB-UHFFFAOYSA-N 1 0 335.360 2.939 20 10 EFCDRO CC(C)[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)[NH+]1CCCCC1 ZINC000183448444 474380368 /nfs/dbraw/zinc/38/03/68/474380368.db2.gz CPQDZGASXLLJQT-KSSFIOAISA-N 1 0 334.460 2.656 20 10 EFCDRO CC(C)[N@@H+]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000265927450 474388587 /nfs/dbraw/zinc/38/85/87/474388587.db2.gz IGCBLYVECQZOCO-UHFFFAOYSA-N 1 0 342.487 2.689 20 10 EFCDRO CCOc1cccc(CN2CCN(C(=O)c3ccsc3)CC2)c1O ZINC000271110963 474401442 /nfs/dbraw/zinc/40/14/42/474401442.db2.gz DMXPOFNEKDZUMQ-UHFFFAOYSA-N 1 0 346.452 2.810 20 10 EFCDRO COC[C@]1(C[NH2+]Cc2ccc(N(C)C)cc2)OCCc2ccccc21 ZINC000289738588 474402556 /nfs/dbraw/zinc/40/25/56/474402556.db2.gz GQQGXDMZEJGJEB-NRFANRHFSA-N 1 0 340.467 2.957 20 10 EFCDRO CC[NH+]1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000266129726 474419868 /nfs/dbraw/zinc/41/98/68/474419868.db2.gz QSSHLTIVHJYDKV-UHFFFAOYSA-N 1 0 331.460 2.555 20 10 EFCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc(CO)o3)cc2F)C[C@@H](C)O1 ZINC000266240132 474426264 /nfs/dbraw/zinc/42/62/64/474426264.db2.gz WXUFLLOFTGAIJT-ZIAGYGMSSA-N 1 0 348.418 2.814 20 10 EFCDRO CCCOc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)OC)CC2)c(O)c1 ZINC000271199720 474437751 /nfs/dbraw/zinc/43/77/51/474437751.db2.gz SRNYXCHOSKDEBB-INIZCTEOSA-N 1 0 333.428 2.956 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3cscn3)CC2)cc1 ZINC000271200789 474439200 /nfs/dbraw/zinc/43/92/00/474439200.db2.gz ZGHKBMPAZJSUEK-OAHLLOKOSA-N 1 0 346.500 2.625 20 10 EFCDRO COc1cccc(C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)c1O ZINC000276250890 474468912 /nfs/dbraw/zinc/46/89/12/474468912.db2.gz WFWCBVNPUPPWEM-INIZCTEOSA-N 1 0 332.444 2.814 20 10 EFCDRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000289895282 474475110 /nfs/dbraw/zinc/47/51/10/474475110.db2.gz UAQUEZOXYSKRKP-HOTGVXAUSA-N 1 0 341.430 2.915 20 10 EFCDRO COc1ccccc1S(=O)(=O)CCCN(C)Cc1ccccc1O ZINC000184256786 474491263 /nfs/dbraw/zinc/49/12/63/474491263.db2.gz WZONQANWXAGAAB-UHFFFAOYSA-N 1 0 349.452 2.697 20 10 EFCDRO Nc1ccc(CC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000237888706 474494215 /nfs/dbraw/zinc/49/42/15/474494215.db2.gz AEXOUPDWRWPOOA-GOSISDBHSA-N 1 0 329.488 2.926 20 10 EFCDRO COc1c(O)c(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)ccc1[N+](=O)[O-] ZINC000289985832 474515396 /nfs/dbraw/zinc/51/53/96/474515396.db2.gz BWOYUSNPQQYFGB-MEBBXXQBSA-N 1 0 330.340 2.921 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C2CC2)cc1 ZINC000283999155 474546421 /nfs/dbraw/zinc/54/64/21/474546421.db2.gz GOMFBRCSCXWOSS-MRXNPFEDSA-N 1 0 336.501 2.542 20 10 EFCDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000271470803 474562105 /nfs/dbraw/zinc/56/21/05/474562105.db2.gz HCQZHTYRKCMMPI-CWTRNNRKSA-N 1 0 345.395 2.995 20 10 EFCDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000290234972 474562962 /nfs/dbraw/zinc/56/29/62/474562962.db2.gz UYSINTYZYVVLQE-OALUTQOASA-N 1 0 329.488 2.927 20 10 EFCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000290273354 474563848 /nfs/dbraw/zinc/56/38/48/474563848.db2.gz YCUGRSVNSVKHIQ-ZDUSSCGKSA-N 1 0 332.375 2.631 20 10 EFCDRO CCn1nccc1N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1=O ZINC000276590349 474565983 /nfs/dbraw/zinc/56/59/83/474565983.db2.gz DICRVBCKEJIKIW-INIZCTEOSA-N 1 0 342.443 2.505 20 10 EFCDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2c(F)ccc(O)c2O)c1 ZINC000276594632 474566308 /nfs/dbraw/zinc/56/63/08/474566308.db2.gz NMXDPGLDHULCHE-UHFFFAOYSA-N 1 0 332.375 2.619 20 10 EFCDRO C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(N(C)C)cc1 ZINC000277106512 474578120 /nfs/dbraw/zinc/57/81/20/474578120.db2.gz MBIDRWUYUJVZFW-HNNXBMFYSA-N 1 0 325.460 2.862 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3nccs3)CC2)cc1 ZINC000271598659 474582131 /nfs/dbraw/zinc/58/21/31/474582131.db2.gz VCZCCOAZPUQFQA-OAHLLOKOSA-N 1 0 346.500 2.625 20 10 EFCDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184685734 474582908 /nfs/dbraw/zinc/58/29/08/474582908.db2.gz CDNPIMGRLDYJLB-LBPRGKRZSA-N 1 0 340.851 2.792 20 10 EFCDRO O=C(NCc1ccccc1O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000267076977 474583835 /nfs/dbraw/zinc/58/38/35/474583835.db2.gz RPEROAXYSIAFKQ-UHFFFAOYSA-N 1 0 331.460 2.989 20 10 EFCDRO COc1cc(Cl)cc(CN2CC[NH+](CCOC(C)C)CC2)c1O ZINC000184696778 474587080 /nfs/dbraw/zinc/58/70/80/474587080.db2.gz UEALXIOPXPYIMB-UHFFFAOYSA-N 1 0 342.867 2.597 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)cc1OC ZINC000271792844 474591740 /nfs/dbraw/zinc/59/17/40/474591740.db2.gz HGDREZATUJMDPW-VOJFVSQTSA-N 1 0 335.375 2.760 20 10 EFCDRO Cc1ccc(O)c([C@H](C)Nc2cccc(CN3CCNC(=O)C3)c2)c1 ZINC000291167196 474595972 /nfs/dbraw/zinc/59/59/72/474595972.db2.gz JEQRRBDQWIUCAU-HNNXBMFYSA-N 1 0 339.439 2.806 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cc1OC ZINC000271864952 474596518 /nfs/dbraw/zinc/59/65/18/474596518.db2.gz WACRGBMRCIPHKG-YYUOZPCZSA-N 1 0 349.452 2.998 20 10 EFCDRO COc1c(O)c(CNc2cccc(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000278104928 474601133 /nfs/dbraw/zinc/60/11/33/474601133.db2.gz ACEURCICRIHBKG-UHFFFAOYSA-N 1 0 331.372 2.983 20 10 EFCDRO Oc1cc2c(cc1CN1CCc3c(ncn3-c3ccccc3)C1)OCO2 ZINC000272077028 474601345 /nfs/dbraw/zinc/60/13/45/474601345.db2.gz DTGUCZQUSUZZDJ-UHFFFAOYSA-N 1 0 349.390 2.865 20 10 EFCDRO C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278152440 474601897 /nfs/dbraw/zinc/60/18/97/474601897.db2.gz AGQBSLMZPRPLQE-SNVBAGLBSA-N 1 0 333.259 2.806 20 10 EFCDRO CCOC1CC(O)(C[NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000278185780 474601913 /nfs/dbraw/zinc/60/19/13/474601913.db2.gz BULPVPVQNXPYKJ-VLRKGOCCSA-N 1 0 344.249 2.735 20 10 EFCDRO COc1c(O)c(CN2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278159831 474602556 /nfs/dbraw/zinc/60/25/56/474602556.db2.gz DMCYRZHKIKOYIQ-HNNXBMFYSA-N 1 0 349.431 2.759 20 10 EFCDRO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000291487504 474604956 /nfs/dbraw/zinc/60/49/56/474604956.db2.gz GGJGBTUWSMBJIM-IAQYHMDHSA-N 1 0 345.270 2.994 20 10 EFCDRO Cc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c(C)n1-c1ccccn1 ZINC000272481247 474612637 /nfs/dbraw/zinc/61/26/37/474612637.db2.gz MCWFSSSIKCBSJX-FUHWJXTLSA-N 1 0 338.455 2.655 20 10 EFCDRO C[N@@H+]1CC[C@H]2CCN(Cc3cc(Br)ccc3O)[C@H]2C1 ZINC000272551519 474616471 /nfs/dbraw/zinc/61/64/71/474616471.db2.gz DAAGQNIRDMXMCT-FZMZJTMJSA-N 1 0 325.250 2.681 20 10 EFCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCC[C@H](S(C)(=O)=O)C3)ccc21 ZINC000284309496 474616679 /nfs/dbraw/zinc/61/66/79/474616679.db2.gz ZFUFGVZGKVGWNR-SJORKVTESA-N 1 0 336.501 2.514 20 10 EFCDRO CCC1(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000267204626 474617131 /nfs/dbraw/zinc/61/71/31/474617131.db2.gz PQTNHHDKTHRLFF-UHFFFAOYSA-N 1 0 345.487 2.514 20 10 EFCDRO CC(C)(C)c1ncc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000284334346 474622595 /nfs/dbraw/zinc/62/25/95/474622595.db2.gz LARUCLHLXBTEIV-UHFFFAOYSA-N 1 0 340.471 2.901 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccccc1O ZINC000272819726 474626270 /nfs/dbraw/zinc/62/62/70/474626270.db2.gz FMBRSHZOKMFQPX-QRFRQXIXSA-N 1 0 340.467 2.926 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNc3nnc(C4CC4)o3)cc2F)CC1 ZINC000278376565 474626339 /nfs/dbraw/zinc/62/63/39/474626339.db2.gz LGKCVUCKPXNGGJ-UHFFFAOYSA-N 1 0 345.422 2.840 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1 ZINC000278380352 474627458 /nfs/dbraw/zinc/62/74/58/474627458.db2.gz AQQVQKPYYSQMGY-GFCCVEGCSA-N 1 0 339.399 2.740 20 10 EFCDRO Cc1cc(C)nc(N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000272878983 474632647 /nfs/dbraw/zinc/63/26/47/474632647.db2.gz XJCUVGQBAFVIAB-UHFFFAOYSA-N 1 0 326.444 2.738 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000278424417 474641098 /nfs/dbraw/zinc/64/10/98/474641098.db2.gz SAVZKVDFRJIECH-NHYWBVRUSA-N 1 0 333.350 2.926 20 10 EFCDRO COc1c([O-])c(C[NH2+]CC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000278441625 474645132 /nfs/dbraw/zinc/64/51/32/474645132.db2.gz WEJMMEGYWXLZDC-UHFFFAOYSA-N 1 0 337.420 2.521 20 10 EFCDRO COCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccco1 ZINC000278508593 474669475 /nfs/dbraw/zinc/66/94/75/474669475.db2.gz PJRKSXLHRCGDHO-GFCCVEGCSA-N 1 0 336.344 2.769 20 10 EFCDRO COC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)cc(C(C)=O)c1O)CC2 ZINC000267469669 474671840 /nfs/dbraw/zinc/67/18/40/474671840.db2.gz WZLVLFHFEMNDOV-OAHLLOKOSA-N 1 0 335.375 2.509 20 10 EFCDRO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000292885788 474695545 /nfs/dbraw/zinc/69/55/45/474695545.db2.gz YHRUBHFJKLMYGM-HNNXBMFYSA-N 1 0 345.464 2.926 20 10 EFCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H]1OCCc2sccc21 ZINC000291826528 474705423 /nfs/dbraw/zinc/70/54/23/474705423.db2.gz ZUNUKMQMVRTLMD-BTDLBPIBSA-N 1 0 333.409 2.975 20 10 EFCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H]1OCCc2sccc21 ZINC000291826538 474705538 /nfs/dbraw/zinc/70/55/38/474705538.db2.gz ZUNUKMQMVRTLMD-QGHHPUGFSA-N 1 0 333.409 2.975 20 10 EFCDRO C[N@H+](CCC(=O)c1ccc2c(c1)OCCO2)Cc1ccccc1O ZINC000278584680 474719120 /nfs/dbraw/zinc/71/91/20/474719120.db2.gz YMRSGEYCZMLHHS-UHFFFAOYSA-N 1 0 327.380 2.868 20 10 EFCDRO COC[C@@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1O)OC ZINC000273127148 474732594 /nfs/dbraw/zinc/73/25/94/474732594.db2.gz AVDZBIDRXRKWND-GOSISDBHSA-N 1 0 331.412 2.722 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000291938985 474763231 /nfs/dbraw/zinc/76/32/31/474763231.db2.gz MSLHSOBLQCSZBG-FQEVSTJZSA-N 1 0 344.503 2.770 20 10 EFCDRO CCCOc1ccc(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)c(O)c1 ZINC000278674418 474769552 /nfs/dbraw/zinc/76/95/52/474769552.db2.gz LTZWCTCYSIVLAU-INIZCTEOSA-N 1 0 341.473 2.580 20 10 EFCDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(N(C)C)c(C)c1)CC2 ZINC000293026999 474773180 /nfs/dbraw/zinc/77/31/80/474773180.db2.gz IRLFWMORFQRUMR-RTBURBONSA-N 1 0 332.488 2.813 20 10 EFCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c(=O)n1C ZINC000278700069 474783169 /nfs/dbraw/zinc/78/31/69/474783169.db2.gz JNZTYRCNDZCTHZ-UHFFFAOYSA-N 1 0 325.456 2.974 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000268113588 474805100 /nfs/dbraw/zinc/80/51/00/474805100.db2.gz DCGGEVNBAGTGBW-YOEHRIQHSA-N 1 0 331.460 2.797 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCNC(=O)c2cccc(C)c2)c1 ZINC000273300110 474831901 /nfs/dbraw/zinc/83/19/01/474831901.db2.gz BBTJPFRGZRZPOP-AWEZNQCLSA-N 1 0 328.412 2.790 20 10 EFCDRO COC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1O)[C@@H]1CCCO1 ZINC000278806335 474844489 /nfs/dbraw/zinc/84/44/89/474844489.db2.gz NGFRDOVDHKKRJY-DGFSRKRXSA-N 1 0 344.249 2.999 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)c(O)c1 ZINC000273422132 474890963 /nfs/dbraw/zinc/89/09/63/474890963.db2.gz SMKNIPNWELYUDH-HNNXBMFYSA-N 1 0 327.428 2.783 20 10 EFCDRO COCCOCCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000273426731 474891230 /nfs/dbraw/zinc/89/12/30/474891230.db2.gz ULXWNARYFYLYAG-NSHDSACASA-N 1 0 332.238 2.858 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)c(O)c1 ZINC000273459869 474909388 /nfs/dbraw/zinc/90/93/88/474909388.db2.gz QIBYKZJBXBIWDG-XHDPSFHLSA-N 1 0 343.349 2.535 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(O)CCO[C@@H]2C)c1O ZINC000278910553 474909648 /nfs/dbraw/zinc/90/96/48/474909648.db2.gz VRWLJMQTKNGSNR-FIXISWKDSA-N 1 0 344.249 2.654 20 10 EFCDRO C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(Br)cc1O ZINC000273466144 474913802 /nfs/dbraw/zinc/91/38/02/474913802.db2.gz DUIPEQWFWMORCP-JTQLQIEISA-N 1 0 341.249 2.851 20 10 EFCDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000285208728 474929627 /nfs/dbraw/zinc/92/96/27/474929627.db2.gz WVXNSNHLQFNXMI-HNNXBMFYSA-N 1 0 331.334 2.936 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c(O)c1C ZINC000273584478 474975919 /nfs/dbraw/zinc/97/59/19/474975919.db2.gz NLPILEJTXHKEPY-AWEZNQCLSA-N 1 0 328.412 2.724 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2cc(OC)cc(OC)c2)c1 ZINC000273591171 474979594 /nfs/dbraw/zinc/97/95/94/474979594.db2.gz PGVWCDGGVQXBJW-HXPMCKFVSA-N 1 0 347.411 2.802 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1nncn1C ZINC000273593353 474981347 /nfs/dbraw/zinc/98/13/47/474981347.db2.gz PVGDXLQKGBMTEQ-DTWKUNHWSA-N 1 0 325.210 2.695 20 10 EFCDRO CC(C)n1nccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000279870980 474996891 /nfs/dbraw/zinc/99/68/91/474996891.db2.gz JOCVTMIMDARVNZ-UHFFFAOYSA-N 1 0 346.450 2.854 20 10 EFCDRO CC[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1ccc(C)cc1O ZINC000279933211 475000916 /nfs/dbraw/zinc/00/09/16/475000916.db2.gz AWJORKLMDCLXOG-KRWDZBQOSA-N 1 0 328.412 2.806 20 10 EFCDRO CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)c1ccc(C)cc1O ZINC000279961871 475002691 /nfs/dbraw/zinc/00/26/91/475002691.db2.gz CJUKAPQPDACQDW-QGZVFWFLSA-N 1 0 348.468 2.850 20 10 EFCDRO CC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(C)cc1O ZINC000280226849 475014960 /nfs/dbraw/zinc/01/49/60/475014960.db2.gz VAHNQTTZKLFQTR-OLZOCXBDSA-N 1 0 330.350 2.905 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c(C(F)(F)F)c1 ZINC000280281997 475018452 /nfs/dbraw/zinc/01/84/52/475018452.db2.gz LSIBZKGBDSMFFS-KGLIPLIRSA-N 1 0 346.393 2.506 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c(C(F)(F)F)c1 ZINC000280300103 475019188 /nfs/dbraw/zinc/01/91/88/475019188.db2.gz PMBVGESVPKMAKI-GFCCVEGCSA-N 1 0 343.393 2.859 20 10 EFCDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280347339 475020370 /nfs/dbraw/zinc/02/03/70/475020370.db2.gz SXCSHPXUAXBZPP-ZDUSSCGKSA-N 1 0 343.393 2.729 20 10 EFCDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](C)C[NH3+])cc1 ZINC000285755805 475040594 /nfs/dbraw/zinc/04/05/94/475040594.db2.gz JUJGKTHRCIYOFY-HNNXBMFYSA-N 1 0 341.455 2.889 20 10 EFCDRO C[C@H]([NH2+]CCn1cc(Br)cn1)c1cc(F)ccc1O ZINC000285784823 475040660 /nfs/dbraw/zinc/04/06/60/475040660.db2.gz UWJCVOOGLBESPZ-VIFPVBQESA-N 1 0 328.185 2.841 20 10 EFCDRO Cc1ccc([C@H]([NH2+]Cc2ccccc2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000280646688 475042358 /nfs/dbraw/zinc/04/23/58/475042358.db2.gz JDVMTVPQCHJZBW-KBXCAEBGSA-N 1 0 333.453 2.965 20 10 EFCDRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000268780996 475042543 /nfs/dbraw/zinc/04/25/43/475042543.db2.gz PTLAEUCFCQHRSE-QSFXBCCZSA-N 1 0 347.478 2.940 20 10 EFCDRO CC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccc(F)cc1[O-] ZINC000285850883 475044656 /nfs/dbraw/zinc/04/46/56/475044656.db2.gz XWLDYNYQQXYWCU-GOSISDBHSA-N 1 0 337.483 2.990 20 10 EFCDRO C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268806601 475044740 /nfs/dbraw/zinc/04/47/40/475044740.db2.gz CUAYIVOEFVLJHI-SJLPKXTDSA-N 1 0 349.494 2.923 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000268867306 475046523 /nfs/dbraw/zinc/04/65/23/475046523.db2.gz WYBFNXYNWOZMGL-CQSZACIVSA-N 1 0 347.484 2.975 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1OC ZINC000293667561 475047067 /nfs/dbraw/zinc/04/70/67/475047067.db2.gz OLWPBVDQFXWKGE-GOSISDBHSA-N 1 0 333.428 2.800 20 10 EFCDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)Cc1ccc(N)cc1 ZINC000286013824 475048190 /nfs/dbraw/zinc/04/81/90/475048190.db2.gz JLRHUVYBHLDUPT-UHFFFAOYSA-N 1 0 329.419 2.541 20 10 EFCDRO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000273768529 475048950 /nfs/dbraw/zinc/04/89/50/475048950.db2.gz QLSGTPQAOSJMLE-SFHVURJKSA-N 1 0 342.487 2.713 20 10 EFCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCS(=O)(=O)[C@H]2C)cc1 ZINC000293776761 475052484 /nfs/dbraw/zinc/05/24/84/475052484.db2.gz BNNMNJVXFCGCDS-YJBOKZPZSA-N 1 0 338.517 2.978 20 10 EFCDRO C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000280879939 475054755 /nfs/dbraw/zinc/05/47/55/475054755.db2.gz DJRCFVFCXIHSEX-RHSMWYFYSA-N 1 0 336.451 2.864 20 10 EFCDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280884599 475054938 /nfs/dbraw/zinc/05/49/38/475054938.db2.gz NJZXMPXVUZIFTB-AWEZNQCLSA-N 1 0 336.423 2.975 20 10 EFCDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280897888 475055674 /nfs/dbraw/zinc/05/56/74/475055674.db2.gz FARRSCSDDLMWLT-INIZCTEOSA-N 1 0 343.393 2.729 20 10 EFCDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280897895 475056463 /nfs/dbraw/zinc/05/64/63/475056463.db2.gz FARRSCSDDLMWLT-MRXNPFEDSA-N 1 0 343.393 2.729 20 10 EFCDRO COc1cccc(C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1O ZINC000293927777 475059596 /nfs/dbraw/zinc/05/95/96/475059596.db2.gz NEQIUXKQUTWSDO-LBPRGKRZSA-N 1 0 336.432 2.746 20 10 EFCDRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2Cc2ccc(N(C)C)c(C)c2)O1 ZINC000294307853 475065707 /nfs/dbraw/zinc/06/57/07/475065707.db2.gz XHAHCNZEMULSNW-VLQPXKRTSA-N 1 0 346.471 2.744 20 10 EFCDRO COC1CCN(c2ccc(C[NH+]3CCC4(CC3)OCCO4)cc2)CC1 ZINC000294804682 475084311 /nfs/dbraw/zinc/08/43/11/475084311.db2.gz CKGLLPATKBERFF-UHFFFAOYSA-N 1 0 346.471 2.641 20 10 EFCDRO COC1CCN(c2ccc(C[NH2+]C3(C(N)=O)CCCCC3)cc2)CC1 ZINC000294888430 475090462 /nfs/dbraw/zinc/09/04/62/475090462.db2.gz GRWSHWBNGOTZAY-UHFFFAOYSA-N 1 0 345.487 2.580 20 10 EFCDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000294905862 475090823 /nfs/dbraw/zinc/09/08/23/475090823.db2.gz XQFXFHQCUHCMKT-QWHCGFSZSA-N 1 0 330.815 2.827 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@]2(O)CCOC2)cc1 ZINC000294918805 475092287 /nfs/dbraw/zinc/09/22/87/475092287.db2.gz AQCSNGFIIQCHEI-SFHVURJKSA-N 1 0 332.469 2.626 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C[C@H](O)COCC(F)(F)F)C2CC2)cc1 ZINC000292576320 475095677 /nfs/dbraw/zinc/09/56/77/475095677.db2.gz ZBUWWVMHIVJRKU-INIZCTEOSA-N 1 0 346.393 2.657 20 10 EFCDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000295006870 475096775 /nfs/dbraw/zinc/09/67/75/475096775.db2.gz JCDWJBFLNPLNLX-IBGZPJMESA-N 1 0 329.396 2.557 20 10 EFCDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000295044509 475100379 /nfs/dbraw/zinc/10/03/79/475100379.db2.gz MWDURCIHIWWIAF-HXUWFJFHSA-N 1 0 346.471 2.688 20 10 EFCDRO COc1cccc(C[N@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)c1O ZINC000295062609 475100596 /nfs/dbraw/zinc/10/05/96/475100596.db2.gz QKQPBMSTSHAHEG-UHFFFAOYSA-N 1 0 336.432 2.888 20 10 EFCDRO CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccncc3C)cc2F)CC1 ZINC000295189148 475110812 /nfs/dbraw/zinc/11/08/12/475110812.db2.gz NVDRKDJVVHFORZ-UHFFFAOYSA-N 1 0 342.462 2.961 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)CCC[NH3+])c2C)cc1 ZINC000295237927 475113993 /nfs/dbraw/zinc/11/39/93/475113993.db2.gz OPYRNJLRWLIVCM-ZDUSSCGKSA-N 1 0 329.444 2.960 20 10 EFCDRO COc1cc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000292642158 475131065 /nfs/dbraw/zinc/13/10/65/475131065.db2.gz AZXMGWCOQZNJGM-KRWDZBQOSA-N 1 0 335.404 2.534 20 10 EFCDRO C[C@H]1[C@@H](NC(=O)NCc2ccccc2O)CC[N@@H+]1Cc1ccccc1 ZINC000287452659 475153706 /nfs/dbraw/zinc/15/37/06/475153706.db2.gz IEAOOZRQTUZKCW-YJBOKZPZSA-N 1 0 339.439 2.854 20 10 EFCDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)nc(N2CCCC2)n1 ZINC000292731458 475172803 /nfs/dbraw/zinc/17/28/03/475172803.db2.gz GHJFOXHSPHQDNY-UHFFFAOYSA-N 1 0 325.460 2.741 20 10 EFCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)CC2 ZINC000297606322 475827141 /nfs/dbraw/zinc/82/71/41/475827141.db2.gz IICRLJJVIGBNMU-MLGOLLRUSA-N 1 0 335.350 2.687 20 10 EFCDRO COc1ccc(N2CCCN(CC[NH+]3CCC(C)CC3)CC2)cc1 ZINC000368555586 476356330 /nfs/dbraw/zinc/35/63/30/476356330.db2.gz IUWSUEBMASORFT-UHFFFAOYSA-N 1 0 331.504 2.939 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCC[NH2+]CC3)c2C)cc1 ZINC000368718372 476366363 /nfs/dbraw/zinc/36/63/63/476366363.db2.gz HCJINJUDZKRCBC-MRXNPFEDSA-N 1 0 341.455 2.975 20 10 EFCDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCO[C@H]1C1CC1 ZINC000368769442 476369448 /nfs/dbraw/zinc/36/94/48/476369448.db2.gz ZQPCBMWISVEWIB-PMACEKPBSA-N 1 0 330.472 2.818 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1 ZINC000373166914 476381975 /nfs/dbraw/zinc/38/19/75/476381975.db2.gz OZSBGGDHQKYWIO-RBUKOAKNSA-N 1 0 328.460 2.574 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCCN(c3ncccc3F)CC2)cc1 ZINC000369037493 476385114 /nfs/dbraw/zinc/38/51/14/476385114.db2.gz XPRQOQOAQZANCU-UHFFFAOYSA-N 1 0 328.435 2.999 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c(O)c1 ZINC000373255283 476389078 /nfs/dbraw/zinc/38/90/78/476389078.db2.gz JLMNOHFRZNYDRC-HUUCEWRRSA-N 1 0 339.439 2.729 20 10 EFCDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2O)cn1 ZINC000374258342 476464982 /nfs/dbraw/zinc/46/49/82/476464982.db2.gz VBHOZTNPKZZHPN-RDJZCZTQSA-N 1 0 335.835 2.867 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000377622806 476480763 /nfs/dbraw/zinc/48/07/63/476480763.db2.gz IIQTYMYIYCWHCP-IAGOWNOFSA-N 1 0 331.460 2.941 20 10 EFCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)c1 ZINC000377689507 476522785 /nfs/dbraw/zinc/52/27/85/476522785.db2.gz CCVKEXHEDKNFCL-IAGOWNOFSA-N 1 0 348.443 2.570 20 10 EFCDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)c1O ZINC000377720502 476545685 /nfs/dbraw/zinc/54/56/85/476545685.db2.gz LTYRYFUWTJWCBS-IRXDYDNUSA-N 1 0 348.443 2.570 20 10 EFCDRO COc1ccc(N2CCC[N@H+](Cc3ccnc(OC)c3)CC2)cc1 ZINC000378275108 476689355 /nfs/dbraw/zinc/68/93/55/476689355.db2.gz GODXPXAPNRBWNI-UHFFFAOYSA-N 1 0 327.428 2.811 20 10 EFCDRO Fc1cc(C[NH2+][C@@H]2CCC23CCOCC3)ccc1N1CCOCC1 ZINC000375706714 476965289 /nfs/dbraw/zinc/96/52/89/476965289.db2.gz VIGBDKDBRJMLNL-GOSISDBHSA-N 1 0 334.435 2.711 20 10 EFCDRO Nc1ccc(CC(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000370764979 476974767 /nfs/dbraw/zinc/97/47/67/476974767.db2.gz AKERYZSOEKNRHN-UHFFFAOYSA-N 1 0 329.488 2.972 20 10 EFCDRO C[C@H]([NH3+])c1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000423433225 477031286 /nfs/dbraw/zinc/03/12/86/477031286.db2.gz PGONYCPTWDYYGU-ZDUSSCGKSA-N 1 0 325.412 2.812 20 10 EFCDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000376166691 477207842 /nfs/dbraw/zinc/20/78/42/477207842.db2.gz MSRLSBHKUCAKFQ-MRXNPFEDSA-N 1 0 341.459 2.814 20 10 EFCDRO CN(C)c1ccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1F ZINC000371469981 477338290 /nfs/dbraw/zinc/33/82/90/477338290.db2.gz HSVQXDUXNMXPKW-ZYSHUDEJSA-N 1 0 335.467 2.575 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CC3([S@@](C)=O)CCC3)CC2)cc1 ZINC000367192288 477384912 /nfs/dbraw/zinc/38/49/12/477384912.db2.gz AFBLJUPDXPWVKC-HSZRJFAPSA-N 1 0 336.501 2.555 20 10 EFCDRO COc1cc([N+](=O)[O-])c(N2CCCC3(CC[NH+](C)CC3)C2)cc1OC ZINC000367192648 477385282 /nfs/dbraw/zinc/38/52/82/477385282.db2.gz COUQHBWBTBZDKV-UHFFFAOYSA-N 1 0 349.431 2.924 20 10 EFCDRO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000368136413 477787924 /nfs/dbraw/zinc/78/79/24/477787924.db2.gz UWTCJVUHCFIFGT-HNNXBMFYSA-N 1 0 340.423 2.682 20 10 EFCDRO C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1cc2c(cc1O)CCCC2 ZINC000368324742 477797949 /nfs/dbraw/zinc/79/79/49/477797949.db2.gz UDSGKOIAHRKDNX-QGTPRVQTSA-N 1 0 330.472 2.785 20 10 EFCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccccc1O ZINC000368408795 477804330 /nfs/dbraw/zinc/80/43/30/477804330.db2.gz FMRIVNJLROFCLH-RHSMWYFYSA-N 1 0 339.439 2.811 20 10 EFCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H]1COCCN1 ZINC000530222562 477878687 /nfs/dbraw/zinc/87/86/87/477878687.db2.gz GFYCFYBJJJOLLN-PKOBYXMFSA-N 1 0 326.440 2.644 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000471687021 478007357 /nfs/dbraw/zinc/00/73/57/478007357.db2.gz VUAQOKBHLLIPHG-HNNXBMFYSA-N 1 0 340.471 2.770 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000471688136 478008124 /nfs/dbraw/zinc/00/81/24/478008124.db2.gz LQXCRUYNFCIFKV-AEFFLSMTSA-N 1 0 340.471 2.913 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000472235091 478012852 /nfs/dbraw/zinc/01/28/52/478012852.db2.gz VFCKQBWWZABRFQ-IBGZPJMESA-N 1 0 342.487 2.968 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NC3(C)CC[NH2+]CC3)ccc21 ZINC000570054499 478275703 /nfs/dbraw/zinc/27/57/03/478275703.db2.gz IARDEYMNLMRXRP-UHFFFAOYSA-N 1 0 343.471 2.776 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)ccc21 ZINC000570340055 478339726 /nfs/dbraw/zinc/33/97/26/478339726.db2.gz DJKLKGBSEBHOQC-KBPBESRZSA-N 1 0 343.471 2.727 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)ccc21 ZINC000570340065 478339806 /nfs/dbraw/zinc/33/98/06/478339806.db2.gz DJKLKGBSEBHOQC-ZIAGYGMSSA-N 1 0 343.471 2.727 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000526928305 478407892 /nfs/dbraw/zinc/40/78/92/478407892.db2.gz XYOGVMAPXLNAGE-MRXNPFEDSA-N 1 0 340.471 2.866 20 10 EFCDRO COc1cccc([C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)OC)c1 ZINC000527735343 478497600 /nfs/dbraw/zinc/49/76/00/478497600.db2.gz IWTRVTDNPGXWSP-GOSISDBHSA-N 1 0 331.368 2.607 20 10 EFCDRO Cc1cc(O)c(CNc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1C ZINC000527761203 478507902 /nfs/dbraw/zinc/50/79/02/478507902.db2.gz BMOWSAWDILWJJA-UHFFFAOYSA-N 1 0 341.455 2.913 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@@]2(COC)COc3ccccc3C2)c1 ZINC000527799186 478524303 /nfs/dbraw/zinc/52/43/03/478524303.db2.gz JKKFNXNCZFPMGV-FQEVSTJZSA-N 1 0 343.423 2.901 20 10 EFCDRO COC[C@@]1([NH2+]Cc2ccc3c(c2)CCO3)COc2ccccc2C1 ZINC000527799202 478524342 /nfs/dbraw/zinc/52/43/42/478524342.db2.gz JTONUPPSWOBLJA-HXUWFJFHSA-N 1 0 325.408 2.731 20 10 EFCDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 ZINC000564221428 478710334 /nfs/dbraw/zinc/71/03/34/478710334.db2.gz KBNQAPRTHZFEKW-KRWDZBQOSA-N 1 0 343.471 2.729 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)ccc21 ZINC000565148824 478924746 /nfs/dbraw/zinc/92/47/46/478924746.db2.gz HXEJAQVYKUYQAP-RDTXWAMCSA-N 1 0 343.471 2.775 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[NH2+][C@H](C)[C@@H]3C)ccc21 ZINC000566627261 479094862 /nfs/dbraw/zinc/09/48/62/479094862.db2.gz MOXAJIMOYAXIJS-ZBFHGGJFSA-N 1 0 343.471 2.727 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)ccc21 ZINC000574049612 479206246 /nfs/dbraw/zinc/20/62/46/479206246.db2.gz JVOLYWKUOWMYSQ-GUYCJALGSA-N 1 0 343.471 2.775 20 10 EFCDRO COC[C@]1([NH2+]Cc2cc(OC)ccc2O)COc2ccccc2C1 ZINC000529669156 479241710 /nfs/dbraw/zinc/24/17/10/479241710.db2.gz PKNUMMWIGNVVRC-IBGZPJMESA-N 1 0 329.396 2.511 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]([NH3+])C(C)C)ccc21 ZINC000577882599 479599327 /nfs/dbraw/zinc/59/93/27/479599327.db2.gz WZAMSPBSSWHIPI-QGZVFWFLSA-N 1 0 331.460 2.618 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)ccc21 ZINC000653133462 481100705 /nfs/dbraw/zinc/10/07/05/481100705.db2.gz MGJNUSVJSVTCRI-IRXDYDNUSA-N 1 0 343.471 2.904 20 10 EFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000648803376 481752622 /nfs/dbraw/zinc/75/26/22/481752622.db2.gz QGVVYPBTEFFPJN-GOSISDBHSA-N 1 0 343.471 2.885 20 10 EFCDRO C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(N2CCOCC2)cc1 ZINC000161719648 533806172 /nfs/dbraw/zinc/80/61/72/533806172.db2.gz HLAVVFRHWJWBIG-INIZCTEOSA-N 1 0 346.471 2.860 20 10 EFCDRO CC[C@H]([NH2+][C@@H](CCO)COC)c1cc(Br)ccc1O ZINC000229556224 535931069 /nfs/dbraw/zinc/93/10/69/535931069.db2.gz UKBVNQOCVRSGAX-AAEUAGOBSA-N 1 0 332.238 2.593 20 10 EFCDRO Cc1nc(CC[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000163560202 534325259 /nfs/dbraw/zinc/32/52/59/534325259.db2.gz XNHXPFQJLTTXIJ-UHFFFAOYSA-N 1 0 331.485 2.963 20 10 EFCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc3c(cc1O)CCCC3)CC2 ZINC000185317938 534703430 /nfs/dbraw/zinc/70/34/30/534703430.db2.gz TZUFZLQCGUIKRK-WBMJQRKESA-N 1 0 326.444 2.837 20 10 EFCDRO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000298773795 525140467 /nfs/dbraw/zinc/14/04/67/525140467.db2.gz HCTJKEUZUNXSBG-AWEZNQCLSA-N 1 0 333.453 2.802 20 10 EFCDRO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000295874246 534846106 /nfs/dbraw/zinc/84/61/06/534846106.db2.gz GMUYNKMOGPIAHV-CABCVRRESA-N 1 0 348.443 2.605 20 10 EFCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@H]2CCCO[C@@H]21 ZINC000174536643 527871203 /nfs/dbraw/zinc/87/12/03/527871203.db2.gz LVDHBVYPPHDOJX-LZQZEXGQSA-N 1 0 348.462 2.956 20 10 EFCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000174371605 528148017 /nfs/dbraw/zinc/14/80/17/528148017.db2.gz BQVJDCONJHWXTB-MRXNPFEDSA-N 1 0 342.443 2.533 20 10 EFCDRO CC[N@H+](CCNC(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000171159757 528494680 /nfs/dbraw/zinc/49/46/80/528494680.db2.gz BNYJKOKPHWWOIY-UHFFFAOYSA-N 1 0 330.476 2.570 20 10 EFCDRO CC/C=C(\C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000171520234 528767629 /nfs/dbraw/zinc/76/76/29/528767629.db2.gz CCACIVSRPMHBGA-GIDUJCDVSA-N 1 0 333.451 2.940 20 10 EFCDRO CC[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000171693514 529162368 /nfs/dbraw/zinc/16/23/68/529162368.db2.gz XKDZNNREFMAVFS-AWEZNQCLSA-N 1 0 336.455 2.565 20 10 EFCDRO CC(C)[N@H+](CC(=O)NCC(F)(F)F)Cc1ccc(N(C)C)cc1 ZINC000298722680 535037528 /nfs/dbraw/zinc/03/75/28/535037528.db2.gz OYQFPVZAZRIISQ-UHFFFAOYSA-N 1 0 331.382 2.642 20 10 EFCDRO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000296458106 535425723 /nfs/dbraw/zinc/42/57/23/535425723.db2.gz JEPYMDHFEGAJII-UHFFFAOYSA-N 1 0 347.503 2.602 20 10 EFCDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(N)cc1)Cc1ccccc1 ZINC000236825575 535654158 /nfs/dbraw/zinc/65/41/58/535654158.db2.gz HHAAOTHJJYQSRC-HXUWFJFHSA-N 1 0 339.483 2.881 20 10 EFCDRO CCN(CC)c1ccc(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000362375332 535684475 /nfs/dbraw/zinc/68/44/75/535684475.db2.gz CYEGMCLMZNZQTQ-OAQYLSRUSA-N 1 0 344.547 2.745 20 10 EFCDRO CC[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1ccc(C)cc1O ZINC000279933215 535806145 /nfs/dbraw/zinc/80/61/45/535806145.db2.gz AWJORKLMDCLXOG-QGZVFWFLSA-N 1 0 328.412 2.806 20 10 EFCDRO CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1[O-] ZINC000367616618 535936363 /nfs/dbraw/zinc/93/63/63/535936363.db2.gz LQSUHNKRYSRYSJ-QAPCUYQASA-N 1 0 335.467 2.741 20 10 EFCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]1C ZINC000279840909 536318665 /nfs/dbraw/zinc/31/86/65/536318665.db2.gz HPSNNTLSGZMICI-HHXXYDBFSA-N 1 0 346.471 2.591 20 10 EFCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297576335 536377060 /nfs/dbraw/zinc/37/70/60/536377060.db2.gz GXWVHAZFGPJPKU-ROUUACIJSA-N 1 0 349.434 2.808 20 10 EFCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297576329 536377095 /nfs/dbraw/zinc/37/70/95/536377095.db2.gz GXWVHAZFGPJPKU-MSOLQXFVSA-N 1 0 349.434 2.808 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)CCOCCO)cc1 ZINC000296983399 536396890 /nfs/dbraw/zinc/39/68/90/536396890.db2.gz VJNWXCZZZQOHPI-UHFFFAOYSA-N 1 0 334.485 2.825 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H]3C[NH3+])c2C)cc1 ZINC000237505224 536550676 /nfs/dbraw/zinc/55/06/76/536550676.db2.gz HKHULCKTRVKHSP-MRXNPFEDSA-N 1 0 327.428 2.666 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)c2C)cc1 ZINC000269260134 536550863 /nfs/dbraw/zinc/55/08/63/536550863.db2.gz IYINUSOGAMMHCF-BFUOFWGJSA-N 1 0 341.455 2.912 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CCC([NH3+])CC3)c2C)cc1 ZINC000237504425 536550981 /nfs/dbraw/zinc/55/09/81/536550981.db2.gz IMTKRODAHRKFCT-UHFFFAOYSA-N 1 0 327.428 2.666 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3C[C@@H](C[NH3+])C[C@H]3C)c2C)cc1 ZINC000261869589 536551182 /nfs/dbraw/zinc/55/11/82/536551182.db2.gz SDIMKMZLVQQWNB-CZUORRHYSA-N 1 0 341.455 2.912 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H](C)C(=O)NC(C)(C)C)CC2)cc1 ZINC000362971321 536669963 /nfs/dbraw/zinc/66/99/63/536669963.db2.gz SIFLRLHZQXSEQV-CQSZACIVSA-N 1 0 333.476 2.557 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H](CO)c3ccccc3)CC2)cc1 ZINC000305108736 536670788 /nfs/dbraw/zinc/67/07/88/536670788.db2.gz DVZQRYKLZXXUOX-HXUWFJFHSA-N 1 0 326.440 2.987 20 10 EFCDRO COc1ccc(N2CCC[N@H+](CCO[C@H]3CCCCO3)CC2)cc1 ZINC000248595876 536671461 /nfs/dbraw/zinc/67/14/61/536671461.db2.gz SSFNDXSHIRLDDJ-IBGZPJMESA-N 1 0 334.460 2.751 20 10 EFCDRO COc1ccc(N2CCC[N@H+](CCC(=O)NC3CCCC3)CC2)cc1 ZINC000193764509 536673000 /nfs/dbraw/zinc/67/30/00/536673000.db2.gz HPNLNDCCVNMOOK-UHFFFAOYSA-N 1 0 345.487 2.656 20 10 EFCDRO COc1c(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000290886617 536861234 /nfs/dbraw/zinc/86/12/34/536861234.db2.gz LBXYCRBHMVMBNT-YOEHRIQHSA-N 1 0 348.399 2.843 20 10 EFCDRO COc1ccc([C@H](C[NH2+]Cc2ccccc2O)N2CCOCC2)cc1 ZINC000237338879 536916464 /nfs/dbraw/zinc/91/64/64/536916464.db2.gz YXHBYRNZTKVZEU-IBGZPJMESA-N 1 0 342.439 2.564 20 10 EFCDRO COC(=O)CC[N@H+](Cc1ccncc1)Cc1cc2c(cc1O)CCC2 ZINC000754012297 575376024 /nfs/dbraw/zinc/37/60/24/575376024.db2.gz BBKKKTKTNLGXSC-UHFFFAOYSA-N 1 0 340.423 2.841 20 10 EFCDRO COc1cc(OC)cc(OCCC[NH2+]Cc2c(O)cccc2OC)c1 ZINC000754048567 575380110 /nfs/dbraw/zinc/38/01/10/575380110.db2.gz RTRHSTOILYAWMS-UHFFFAOYSA-N 1 0 347.411 2.977 20 10 EFCDRO CC[N@@H+]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@H]1C ZINC000754196608 575405024 /nfs/dbraw/zinc/40/50/24/575405024.db2.gz QHSMNUBMRKFKLZ-OAHLLOKOSA-N 1 0 326.444 2.655 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c(O)c(C(C)(C)C)c1 ZINC000754720073 575476995 /nfs/dbraw/zinc/47/69/95/575476995.db2.gz JFQHALJHEGZMIS-QGZVFWFLSA-N 1 0 346.471 2.941 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](CC(=O)[O-])C(C)(C)C)cc2)CC1 ZINC000756312476 575715882 /nfs/dbraw/zinc/71/58/82/575715882.db2.gz QHBBBQJVWSHWSV-QGZVFWFLSA-N 1 0 347.503 2.665 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@H](CCC(C)(C)C)C(=O)[O-])cc2)CC1 ZINC000756380852 575726977 /nfs/dbraw/zinc/72/69/77/575726977.db2.gz GXWZAWJSTZZTID-GOSISDBHSA-N 1 0 347.503 2.808 20 10 EFCDRO COCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000756379552 575726979 /nfs/dbraw/zinc/72/69/79/575726979.db2.gz OZUQUILSAXWSMT-GFCCVEGCSA-N 1 0 332.375 2.967 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(NS(C)(=O)=O)c2)c1 ZINC000756384085 575727456 /nfs/dbraw/zinc/72/74/56/575727456.db2.gz NEKVOPKAFUDSSD-ZDUSSCGKSA-N 1 0 334.441 2.923 20 10 EFCDRO CC(C)[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])N1CC[NH+](C)CC1 ZINC000756399520 575731123 /nfs/dbraw/zinc/73/11/23/575731123.db2.gz QLMSGUXUPJCGSC-DYVFJYSZSA-N 1 0 341.446 2.593 20 10 EFCDRO CC(C)[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])N1CC[NH+](C)CC1 ZINC000756399517 575731176 /nfs/dbraw/zinc/73/11/76/575731176.db2.gz QLMSGUXUPJCGSC-CXAGYDPISA-N 1 0 341.446 2.593 20 10 EFCDRO C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(Br)ccc1O ZINC000756533047 575756092 /nfs/dbraw/zinc/75/60/92/575756092.db2.gz HNYJTIQITCEFIR-VXGBXAGGSA-N 1 0 343.265 2.526 20 10 EFCDRO C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cc(Br)ccc1O ZINC000756545498 575758856 /nfs/dbraw/zinc/75/88/56/575758856.db2.gz MRKPSKJZVQSMOA-RYUDHWBXSA-N 1 0 343.265 2.526 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)N2CCC(OC)CC2)c1 ZINC000756553785 575760894 /nfs/dbraw/zinc/76/08/94/575760894.db2.gz MXWPLZPJNDBIRD-AWEZNQCLSA-N 1 0 336.476 2.941 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC000756661165 575773966 /nfs/dbraw/zinc/77/39/66/575773966.db2.gz YYYNYRYYRHHBJI-DZGCQCFKSA-N 1 0 332.444 2.843 20 10 EFCDRO C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1cc2c(cc1O)CCCC2 ZINC000756763704 575785141 /nfs/dbraw/zinc/78/51/41/575785141.db2.gz XNXQHYQECJFDJE-CYBMUJFWSA-N 1 0 337.485 2.746 20 10 EFCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756774319 575785759 /nfs/dbraw/zinc/78/57/59/575785759.db2.gz IHQQNCWNGOSLFY-BIMULSAOSA-N 1 0 341.249 2.720 20 10 EFCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000756774323 575785773 /nfs/dbraw/zinc/78/57/73/575785773.db2.gz IHQQNCWNGOSLFY-OASPWFOLSA-N 1 0 341.249 2.720 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000757635035 575846503 /nfs/dbraw/zinc/84/65/03/575846503.db2.gz MCBNILJXVAALBD-DNVCBOLYSA-N 1 0 344.503 2.815 20 10 EFCDRO C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1cc(Br)ccc1O ZINC000757656624 575847810 /nfs/dbraw/zinc/84/78/10/575847810.db2.gz BSTQHYLWELWQQX-QMTHXVAHSA-N 1 0 344.249 2.593 20 10 EFCDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000757923235 575855889 /nfs/dbraw/zinc/85/58/89/575855889.db2.gz FMKKIYFZVPFYON-IBGZPJMESA-N 1 0 334.460 2.735 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000758003165 575857801 /nfs/dbraw/zinc/85/78/01/575857801.db2.gz KQNCJDQIQCIUPH-QGZVFWFLSA-N 1 0 335.517 2.538 20 10 EFCDRO COCC1(O)CC[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000758370026 575867984 /nfs/dbraw/zinc/86/79/84/575867984.db2.gz FASIAOBEXFGOSM-UHFFFAOYSA-N 1 0 337.460 2.672 20 10 EFCDRO COc1cccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1O ZINC000758521242 575871474 /nfs/dbraw/zinc/87/14/74/575871474.db2.gz ARLQWKLBJDZFHW-LPHOPBHVSA-N 1 0 331.387 2.796 20 10 EFCDRO COc1cccc(O)c1C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000758526598 575871594 /nfs/dbraw/zinc/87/15/94/575871594.db2.gz XTDFINZKQPOLOH-VQIMIIECSA-N 1 0 331.387 2.796 20 10 EFCDRO COc1cccc(O)c1C[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000758526582 575871619 /nfs/dbraw/zinc/87/16/19/575871619.db2.gz XTDFINZKQPOLOH-LPHOPBHVSA-N 1 0 331.387 2.796 20 10 EFCDRO Cc1c(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cnn1C ZINC000758552271 575872488 /nfs/dbraw/zinc/87/24/88/575872488.db2.gz BNCXQQQOIVCDJY-UHFFFAOYSA-N 1 0 343.431 2.917 20 10 EFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000758730543 575876480 /nfs/dbraw/zinc/87/64/80/575876480.db2.gz UAXROUYPSGHLOG-OAHLLOKOSA-N 1 0 336.455 2.565 20 10 EFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000758848711 575878660 /nfs/dbraw/zinc/87/86/60/575878660.db2.gz OOIKMACYIAQQPN-QGZVFWFLSA-N 1 0 332.492 2.768 20 10 EFCDRO O=C(NCCCSc1nccs1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000759554094 575899847 /nfs/dbraw/zinc/89/98/47/575899847.db2.gz JFPOWLHFYUFIMS-CHWSQXEVSA-N 1 0 340.518 2.551 20 10 EFCDRO O=C(NCCCSc1nccs1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000759561159 575901016 /nfs/dbraw/zinc/90/10/16/575901016.db2.gz CSIRFYNGGAOBSO-OLZOCXBDSA-N 1 0 340.518 2.551 20 10 EFCDRO CS(=O)(=O)CCCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000759707712 575923613 /nfs/dbraw/zinc/92/36/13/575923613.db2.gz VQTDKGOLYQKWCA-UHFFFAOYSA-N 1 0 325.474 2.962 20 10 EFCDRO CC[NH+]1CCC(NC(=O)CN(C)c2ccc(OC(C)C)cc2)CC1 ZINC000759934535 575957964 /nfs/dbraw/zinc/95/79/64/575957964.db2.gz XTXXSDRBONRHSY-UHFFFAOYSA-N 1 0 333.476 2.511 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=S)NCC1CC[NH+](C)CC1 ZINC000760467149 576028274 /nfs/dbraw/zinc/02/82/74/576028274.db2.gz BRDKCVRVHCUNCN-UHFFFAOYSA-N 1 0 348.560 2.791 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1C(C)C ZINC000760549044 576043671 /nfs/dbraw/zinc/04/36/71/576043671.db2.gz HFUMXHHJKQEGLZ-INIZCTEOSA-N 1 0 331.460 2.860 20 10 EFCDRO CC(C)[N@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1ccc(N(C)C)cc1 ZINC000760817936 576077051 /nfs/dbraw/zinc/07/70/51/576077051.db2.gz MVCLWODRFZAWSI-KRWDZBQOSA-N 1 0 338.517 2.788 20 10 EFCDRO O=S1(=O)CC[C@@H](CC[N@@H+](Cc2ccccc2O)C2CCCC2)C1 ZINC000760839285 576079722 /nfs/dbraw/zinc/07/97/22/576079722.db2.gz CBCWQBYAQPZUSP-OAHLLOKOSA-N 1 0 337.485 2.962 20 10 EFCDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000760883199 576084659 /nfs/dbraw/zinc/08/46/59/576084659.db2.gz AQHVHHFGHBQUKD-WDBKCZKBSA-N 1 0 344.249 2.999 20 10 EFCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000760883217 576084714 /nfs/dbraw/zinc/08/47/14/576084714.db2.gz ARZXGWAAWMSTEI-RIEGTJTDSA-N 1 0 344.249 2.999 20 10 EFCDRO CCOC(=O)CC[N@H+](Cc1cc(Cl)cc(OC)c1O)C1CC1 ZINC000761195252 576127977 /nfs/dbraw/zinc/12/79/77/576127977.db2.gz LKLNDSICLJSTHR-UHFFFAOYSA-N 1 0 327.808 2.972 20 10 EFCDRO COc1cccc(O)c1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000761221485 576131835 /nfs/dbraw/zinc/13/18/35/576131835.db2.gz OHKKIQNDRIPAQX-UHFFFAOYSA-N 1 0 330.428 2.978 20 10 EFCDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)cc(C)c1O ZINC000761222747 576131976 /nfs/dbraw/zinc/13/19/76/576131976.db2.gz MMLVEPWXUJUTQR-KBPBESRZSA-N 1 0 344.249 2.747 20 10 EFCDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Br)cc(C)c1O ZINC000761222755 576132407 /nfs/dbraw/zinc/13/24/07/576132407.db2.gz MMLVEPWXUJUTQR-ZIAGYGMSSA-N 1 0 344.249 2.747 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]C(C)(C)CS(C)(=O)=O)cc1F ZINC000762787301 576331202 /nfs/dbraw/zinc/33/12/02/576331202.db2.gz QGLUOGXKBFUICC-UHFFFAOYSA-N 1 0 330.469 2.585 20 10 EFCDRO C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762789411 576331384 /nfs/dbraw/zinc/33/13/84/576331384.db2.gz UVGGYPFJCMFFMD-HNAYVOBHSA-N 1 0 335.467 2.533 20 10 EFCDRO CCN(CC)c1ccc(CN(C)C(=O)C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000763434442 576377409 /nfs/dbraw/zinc/37/74/09/576377409.db2.gz QMKQWUUJDFJXJH-SFHVURJKSA-N 1 0 349.544 2.929 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000763926430 576411101 /nfs/dbraw/zinc/41/11/01/576411101.db2.gz PVXYWUCCJZRNCB-KRWDZBQOSA-N 1 0 335.517 2.586 20 10 EFCDRO C[N@H+](CC(=O)NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCSC1 ZINC000764018407 576422294 /nfs/dbraw/zinc/42/22/94/576422294.db2.gz IEVKIVQOOVZTDW-GOSISDBHSA-N 1 0 347.528 2.730 20 10 EFCDRO Cc1ccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)cn1 ZINC000764886713 576517473 /nfs/dbraw/zinc/51/74/73/576517473.db2.gz RWSDVBNCSXXESG-NTEUORMPSA-N 1 0 333.482 2.685 20 10 EFCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CC1 ZINC000765256673 577024008 /nfs/dbraw/zinc/02/40/08/577024008.db2.gz VPWUVNWGGKZMRA-MJGOQNOKSA-N 1 0 329.488 2.913 20 10 EFCDRO C[C@H]([NH2+]CCCCn1ccnc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765261788 577024520 /nfs/dbraw/zinc/02/45/20/577024520.db2.gz VMDNXLRIYDKDCZ-INIZCTEOSA-N 1 0 346.450 2.990 20 10 EFCDRO COC[C@H](CC(C)C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000765285742 577027401 /nfs/dbraw/zinc/02/74/01/577027401.db2.gz FRKFOQIMONEQLT-INIZCTEOSA-N 1 0 338.467 2.938 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCOCC(F)(F)F)CC2)cc1 ZINC000765362737 577035048 /nfs/dbraw/zinc/03/50/48/577035048.db2.gz KLOIBJGTYXVLHT-UHFFFAOYSA-N 1 0 332.366 2.833 20 10 EFCDRO C[C@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1ccc(N(C)C)cc1 ZINC000765398409 577038288 /nfs/dbraw/zinc/03/82/88/577038288.db2.gz ZOQUHEKMNFWZAZ-AWEZNQCLSA-N 1 0 337.423 2.699 20 10 EFCDRO CC[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000765406933 577038947 /nfs/dbraw/zinc/03/89/47/577038947.db2.gz BGKLSRDKGCLIHS-INIZCTEOSA-N 1 0 341.521 2.511 20 10 EFCDRO CNC(=O)C1CCC([NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000765427566 577041427 /nfs/dbraw/zinc/04/14/27/577041427.db2.gz VUXBNEBTCSPTHR-UHFFFAOYSA-N 1 0 345.487 2.558 20 10 EFCDRO C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765437083 577042269 /nfs/dbraw/zinc/04/22/69/577042269.db2.gz DOMDWUYRSVLGMR-HZPDHXFCSA-N 1 0 326.444 2.595 20 10 EFCDRO CCOc1ccc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)c(O)c1 ZINC000765655774 577063193 /nfs/dbraw/zinc/06/31/93/577063193.db2.gz GQBGDAQDAKNXML-QGZVFWFLSA-N 1 0 349.452 2.666 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](C)N(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000765774314 577075282 /nfs/dbraw/zinc/07/52/82/577075282.db2.gz IMPOMZAKLSLWRH-UONOGXRCSA-N 1 0 325.884 2.777 20 10 EFCDRO COc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000765780598 577076295 /nfs/dbraw/zinc/07/62/95/577076295.db2.gz RFDKHSDCWMIQJS-HNNXBMFYSA-N 1 0 327.428 2.778 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCCN3CCCCC3=O)CC2)cc1 ZINC000765845229 577082491 /nfs/dbraw/zinc/08/24/91/577082491.db2.gz NQPFIBZBHJEUCS-UHFFFAOYSA-N 1 0 345.487 2.656 20 10 EFCDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979188 577094634 /nfs/dbraw/zinc/09/46/34/577094634.db2.gz JEZQTTRTUQSLHN-MAUKXSAKSA-N 1 0 336.501 2.590 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCCC1 ZINC000765980798 577095028 /nfs/dbraw/zinc/09/50/28/577095028.db2.gz RJLOEMVMIQJVCW-OAHLLOKOSA-N 1 0 336.501 2.590 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCCC1 ZINC000765980797 577095033 /nfs/dbraw/zinc/09/50/33/577095033.db2.gz RJLOEMVMIQJVCW-HNNXBMFYSA-N 1 0 336.501 2.590 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766166777 577115610 /nfs/dbraw/zinc/11/56/10/577115610.db2.gz SOOHTKKBLFUROU-HLLBOEOZSA-N 1 0 335.467 2.796 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766166779 577115785 /nfs/dbraw/zinc/11/57/85/577115785.db2.gz SOOHTKKBLFUROU-VYDXJSESSA-N 1 0 335.467 2.796 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000766225464 577123898 /nfs/dbraw/zinc/12/38/98/577123898.db2.gz QNGZVOJQNHDNEN-HXUWFJFHSA-N 1 0 329.488 2.630 20 10 EFCDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc(N(C)C)cc2C)C[C@H]1C ZINC000766244928 577126006 /nfs/dbraw/zinc/12/60/06/577126006.db2.gz FGBHQVVETZIALT-HZPDHXFCSA-N 1 0 332.492 2.685 20 10 EFCDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCCSc2nccs2)C[C@H]1C ZINC000766247972 577126336 /nfs/dbraw/zinc/12/63/36/577126336.db2.gz GDKDRSNQTBDAFW-CHWSQXEVSA-N 1 0 342.534 2.749 20 10 EFCDRO CCC[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCN1CCOC ZINC000766373107 577141140 /nfs/dbraw/zinc/14/11/40/577141140.db2.gz FCCZVGGZJAVJDO-QGZVFWFLSA-N 1 0 343.471 2.873 20 10 EFCDRO CC(C)[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000766503459 577158964 /nfs/dbraw/zinc/15/89/64/577158964.db2.gz ZJRSSMYGGYKQKI-CXAGYDPISA-N 1 0 326.868 2.844 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCCNc3ncccn3)CC2)cc1 ZINC000766518303 577160747 /nfs/dbraw/zinc/16/07/47/577160747.db2.gz RCLMYHFKHHZWGT-UHFFFAOYSA-N 1 0 341.459 2.546 20 10 EFCDRO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766587468 577169361 /nfs/dbraw/zinc/16/93/61/577169361.db2.gz ZOVLJKSRZXNWIU-VCBZYWHSSA-N 1 0 347.478 2.796 20 10 EFCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(C)o1 ZINC000767350277 577205637 /nfs/dbraw/zinc/20/56/37/577205637.db2.gz HVCYWQFBEJBUAC-KRWDZBQOSA-N 1 0 341.455 2.888 20 10 EFCDRO CN1CCN([C@H](C[NH2+]Cc2ccccc2O)c2cccs2)CC1 ZINC000725841375 577243581 /nfs/dbraw/zinc/24/35/81/577243581.db2.gz CWKMUHFOYJHSCH-MRXNPFEDSA-N 1 0 331.485 2.532 20 10 EFCDRO O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[O-] ZINC000725845712 577246724 /nfs/dbraw/zinc/24/67/24/577246724.db2.gz IGFBDHCUCFZVAP-OLZOCXBDSA-N 1 0 325.796 2.670 20 10 EFCDRO O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[O-] ZINC000725845713 577246748 /nfs/dbraw/zinc/24/67/48/577246748.db2.gz IGFBDHCUCFZVAP-QWHCGFSZSA-N 1 0 325.796 2.670 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1)OCO2 ZINC000725846779 577247296 /nfs/dbraw/zinc/24/72/96/577247296.db2.gz MTGXFNBHMCVUHC-NSHDSACASA-N 1 0 333.306 2.664 20 10 EFCDRO CCOc1ccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c(O)c1 ZINC000768138581 577257042 /nfs/dbraw/zinc/25/70/42/577257042.db2.gz ZNYARJLZVJXIDZ-UHFFFAOYSA-N 1 0 328.412 2.819 20 10 EFCDRO CCOc1ccc(C[NH+]2CCN(c3ccccc3O)CC2)c(O)c1 ZINC000768141174 577257258 /nfs/dbraw/zinc/25/72/58/577257258.db2.gz QKEIZDARQOCCKQ-UHFFFAOYSA-N 1 0 328.412 2.819 20 10 EFCDRO Cc1ccc(O)c(C[NH+]2CCN(CCOc3ccccc3)CC2)c1 ZINC000768194071 577260261 /nfs/dbraw/zinc/26/02/61/577260261.db2.gz ZKQQSVPZPZGDEL-UHFFFAOYSA-N 1 0 326.440 2.897 20 10 EFCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(C(=O)NC)cc2)c(O)c1 ZINC000768207027 577260835 /nfs/dbraw/zinc/26/08/35/577260835.db2.gz OBUDKUPFVSUTIW-UHFFFAOYSA-N 1 0 328.412 2.783 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000768253020 577263187 /nfs/dbraw/zinc/26/31/87/577263187.db2.gz VIHPNMYGMKESFK-UHFFFAOYSA-N 1 0 333.819 2.771 20 10 EFCDRO CCCCNC(=O)C1CC[NH+](Cc2ccc(OCC)cc2O)CC1 ZINC000768333621 577266684 /nfs/dbraw/zinc/26/66/84/577266684.db2.gz CHHOVRFBBJXUCQ-UHFFFAOYSA-N 1 0 334.460 2.919 20 10 EFCDRO COc1cccc(O)c1C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000768438969 577273555 /nfs/dbraw/zinc/27/35/55/577273555.db2.gz CMKCGGKKYFVXLL-UHFFFAOYSA-N 1 0 326.396 2.664 20 10 EFCDRO COc1ccc(C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C2CC2)cc1 ZINC000768442525 577273753 /nfs/dbraw/zinc/27/37/53/577273753.db2.gz RVEPYHAPWRVFNC-LJQANCHMSA-N 1 0 341.407 2.991 20 10 EFCDRO C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C[C@@H]1OCCc2ccccc21 ZINC000768444666 577273952 /nfs/dbraw/zinc/27/39/52/577273952.db2.gz NGCDLVRVHPRSRC-ICSRJNTNSA-N 1 0 341.407 2.564 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCCN(c3ccccc3)CC1)[C@@H](O)CO2 ZINC000768444970 577274071 /nfs/dbraw/zinc/27/40/71/577274071.db2.gz ZVGHFOWSGNYBJR-IBGZPJMESA-N 1 0 340.423 2.530 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccccc3F)C1)[C@@H](O)CO2 ZINC000768448542 577274768 /nfs/dbraw/zinc/27/47/68/577274768.db2.gz CLRYNIPODYJWBH-XIKOKIGWSA-N 1 0 329.371 2.947 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCCO[C@@H](c3ccccc3)C1)[C@H](O)CO2 ZINC000768453438 577275217 /nfs/dbraw/zinc/27/52/17/577275217.db2.gz XHJQZURMYMBWCM-UYAOXDASSA-N 1 0 341.407 2.782 20 10 EFCDRO Oc1cc2c(cc1C[N@H+](CCC(F)(F)F)CC1CC1)[C@@H](O)CO2 ZINC000768463428 577276012 /nfs/dbraw/zinc/27/60/12/577276012.db2.gz IODUXERYPQNNRC-AWEZNQCLSA-N 1 0 331.334 2.982 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1)CCCC2 ZINC000768466572 577276460 /nfs/dbraw/zinc/27/64/60/577276460.db2.gz SBOYSIIMZKRUMI-LJQANCHMSA-N 1 0 330.472 2.568 20 10 EFCDRO COc1cc(O)c(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1OC ZINC000768467116 577276478 /nfs/dbraw/zinc/27/64/78/577276478.db2.gz ZDWPPJXBGKKVEV-OAHLLOKOSA-N 1 0 334.460 2.573 20 10 EFCDRO C[C@@H](Cn1cccn1)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768689509 577295274 /nfs/dbraw/zinc/29/52/74/577295274.db2.gz HZRMADAOIOLBDA-WMLDXEAASA-N 1 0 348.878 2.885 20 10 EFCDRO OC[C@@H](C[NH2+]Cc1cc(Br)ccc1O)Cc1ccco1 ZINC000768842113 577308387 /nfs/dbraw/zinc/30/83/87/577308387.db2.gz QGNGOZCBAJCORQ-LLVKDONJSA-N 1 0 340.217 2.689 20 10 EFCDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000768913542 577315873 /nfs/dbraw/zinc/31/58/73/577315873.db2.gz LCMLMIUUZIYHGG-IIAWOOMASA-N 1 0 332.444 2.958 20 10 EFCDRO CC[N@H+](CCc1ccccn1)Cc1ccc(N2CCOCC2)cc1 ZINC000769033676 577325895 /nfs/dbraw/zinc/32/58/95/577325895.db2.gz LVDFSFDWHHBBGH-UHFFFAOYSA-N 1 0 325.456 2.983 20 10 EFCDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 ZINC000769108129 577334788 /nfs/dbraw/zinc/33/47/88/577334788.db2.gz LMACCHNPNDYWFH-SOLBZPMBSA-N 1 0 349.494 2.965 20 10 EFCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC000769205154 577344284 /nfs/dbraw/zinc/34/42/84/577344284.db2.gz DPYPMUMTCHVFMZ-HNNXBMFYSA-N 1 0 334.460 2.919 20 10 EFCDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769209852 577344750 /nfs/dbraw/zinc/34/47/50/577344750.db2.gz NOPCZUCWEWWHOY-HUUCEWRRSA-N 1 0 334.460 2.918 20 10 EFCDRO CCOc1ccc(C[NH+]2CCN(Cc3cccc(O)c3)CC2)c(O)c1 ZINC000769235726 577346178 /nfs/dbraw/zinc/34/61/78/577346178.db2.gz BSJUSDYNRUIEMT-UHFFFAOYSA-N 1 0 342.439 2.814 20 10 EFCDRO CC[N@H+](Cc1ccc(OCC(N)=O)cc1)Cc1ccc(N(C)C)cc1 ZINC000726066481 577347800 /nfs/dbraw/zinc/34/78/00/577347800.db2.gz DCXLATJMTJLYMM-UHFFFAOYSA-N 1 0 341.455 2.639 20 10 EFCDRO CC[N@@H+]1CCN(Cc2cc(Br)cc(OC)c2O)C[C@H]1C ZINC000769381202 577357202 /nfs/dbraw/zinc/35/72/02/577357202.db2.gz MEXZNTAWYMMICU-LLVKDONJSA-N 1 0 343.265 2.689 20 10 EFCDRO COc1cc(Br)cc(C[N@H+](CCCO)C2CC2)c1O ZINC000769404712 577359862 /nfs/dbraw/zinc/35/98/62/577359862.db2.gz OJUURDKQIRBFKG-UHFFFAOYSA-N 1 0 330.222 2.510 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)c(O)c1 ZINC000769478723 577365690 /nfs/dbraw/zinc/36/56/90/577365690.db2.gz FREZWZFHHGNXKJ-ROUUACIJSA-N 1 0 335.444 2.543 20 10 EFCDRO CCOc1ccc(O)c(C[NH+]2CCC(N(C)CC(F)F)CC2)c1 ZINC000769509241 577368523 /nfs/dbraw/zinc/36/85/23/577368523.db2.gz JAQZMLNRRNBKFG-UHFFFAOYSA-N 1 0 328.403 2.952 20 10 EFCDRO Fc1cc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)ccc1N1CCOCC1 ZINC000769515453 577369318 /nfs/dbraw/zinc/36/93/18/577369318.db2.gz QSQZDZOVTQRJHA-IAGOWNOFSA-N 1 0 334.435 2.521 20 10 EFCDRO COc1cccc(O)c1C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000769931497 577394061 /nfs/dbraw/zinc/39/40/61/577394061.db2.gz GSFUDMMLXVDMIT-UHFFFAOYSA-N 1 0 328.412 2.716 20 10 EFCDRO CCC[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[N@@H+]1CCOC ZINC000770283699 577409892 /nfs/dbraw/zinc/40/98/92/577409892.db2.gz KNONUVNZLOCXJS-MRXNPFEDSA-N 1 0 326.868 2.978 20 10 EFCDRO Cn1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000771055772 581169520 /nfs/dbraw/zinc/16/95/20/581169520.db2.gz FAOVGJJCRWPAIB-INIZCTEOSA-N 1 0 347.846 2.779 20 10 EFCDRO C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000771512107 581219764 /nfs/dbraw/zinc/21/97/64/581219764.db2.gz XUWGCDJRCBWJIA-QHLBTRFYSA-N 1 0 340.423 2.919 20 10 EFCDRO Cc1cccc2c1N[C@H](c1ccc(N3CC[NH+](C)CC3)cc1)NC2=O ZINC000771521470 581220299 /nfs/dbraw/zinc/22/02/99/581220299.db2.gz SNYDUWXBTDJLHZ-IBGZPJMESA-N 1 0 336.439 2.601 20 10 EFCDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000771627719 581228390 /nfs/dbraw/zinc/22/83/90/581228390.db2.gz QAHVZZCDRRBXAB-ZDUSSCGKSA-N 1 0 335.400 2.532 20 10 EFCDRO CC[NH+]1CCN(c2cccc(NC(=O)C3=CC(=O)CS3)c2)CC1 ZINC000771745634 581238918 /nfs/dbraw/zinc/23/89/18/581238918.db2.gz YTKDWFRYEHSVSJ-UHFFFAOYSA-N 1 0 331.441 2.848 20 10 EFCDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771864197 581252157 /nfs/dbraw/zinc/25/21/57/581252157.db2.gz KIAAKVGCBMBWMP-APWZRJJASA-N 1 0 343.471 2.633 20 10 EFCDRO C[C@@H]([NH2+]CC1(C)OCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000773139039 581400218 /nfs/dbraw/zinc/40/02/18/581400218.db2.gz MMPHUXBEVFZBBC-CYBMUJFWSA-N 1 0 340.851 2.590 20 10 EFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773293837 581415007 /nfs/dbraw/zinc/41/50/07/581415007.db2.gz AFAIBQCAXZTEGO-QAPCUYQASA-N 1 0 332.492 2.987 20 10 EFCDRO C[C@@H](NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773314605 581417258 /nfs/dbraw/zinc/41/72/58/581417258.db2.gz KMAYBVYSBGUDQC-RHSMWYFYSA-N 1 0 330.476 2.597 20 10 EFCDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773369721 581424019 /nfs/dbraw/zinc/42/40/19/581424019.db2.gz XLYVQDSWJZVKEK-HZPDHXFCSA-N 1 0 332.492 2.843 20 10 EFCDRO C[C@H](NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC000773400652 581427058 /nfs/dbraw/zinc/42/70/58/581427058.db2.gz ANLPXNJNBPPEFM-QILLFSRXSA-N 1 0 332.492 2.986 20 10 EFCDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773610667 581450335 /nfs/dbraw/zinc/45/03/35/581450335.db2.gz FLWFQNRJVYBYEN-JKSUJKDBSA-N 1 0 332.492 2.845 20 10 EFCDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773610663 581450360 /nfs/dbraw/zinc/45/03/60/581450360.db2.gz FLWFQNRJVYBYEN-HZPDHXFCSA-N 1 0 332.492 2.845 20 10 EFCDRO CCN(C)c1ccc(C[N@H+](CCC(=O)OC)C[C@H]2CCCO2)cc1 ZINC000773751652 581461473 /nfs/dbraw/zinc/46/14/73/581461473.db2.gz GDTHSKUDMUCKII-GOSISDBHSA-N 1 0 334.460 2.687 20 10 EFCDRO COC[C@H](C)OC[C@@H](O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000773758745 581462426 /nfs/dbraw/zinc/46/24/26/581462426.db2.gz XSUXDUBAQHFHLE-YJBOKZPZSA-N 1 0 337.460 2.549 20 10 EFCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1 ZINC000773824992 581466286 /nfs/dbraw/zinc/46/62/86/581466286.db2.gz WBMCDUXJDWYGBC-PMACEKPBSA-N 1 0 342.487 2.964 20 10 EFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3c([O-])cccc3F)c2)CC1 ZINC000774083159 581482301 /nfs/dbraw/zinc/48/23/01/581482301.db2.gz ATKYVVFCERECPE-UHFFFAOYSA-N 1 0 343.402 2.926 20 10 EFCDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000774161470 581486252 /nfs/dbraw/zinc/48/62/52/581486252.db2.gz NMBRVKIVAILEOU-CVEARBPZSA-N 1 0 342.399 3.000 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(C(=O)NOC2CC[NH+](C)CC2)cc1 ZINC000774290745 581488918 /nfs/dbraw/zinc/48/89/18/581488918.db2.gz LKNONVNMURTASQ-UHFFFAOYSA-N 1 0 327.428 2.850 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736647232 598274532 /nfs/dbraw/zinc/27/45/32/598274532.db2.gz NOSPNQJYFCZSEM-LBPRGKRZSA-N 1 0 339.399 2.822 20 10 EFCDRO Oc1ccccc1C[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000738400419 598275382 /nfs/dbraw/zinc/27/53/82/598275382.db2.gz GQGQFUMZVKGGNU-UHFFFAOYSA-N 1 0 341.440 2.595 20 10 EFCDRO c1csc(SCCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)n1 ZINC000823816244 606474377 /nfs/dbraw/zinc/47/43/77/606474377.db2.gz QPKJEIHPSBIHDE-UHFFFAOYSA-N 1 0 338.487 2.657 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824617414 609139528 /nfs/dbraw/zinc/13/95/28/609139528.db2.gz HOGJKMSIQGGKOL-NSHDSACASA-N 1 0 339.374 2.792 20 10 EFCDRO Cc1ncc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1C ZINC000850034514 1250234200 /nfs/dbraw/zinc/23/42/00/1250234200.db2.gz LYNRNLRSAYRZAX-KBPBESRZSA-N 1 0 346.450 2.771 20 10 EFCDRO COc1cc(C[NH2+]C[C@@](C)(O)CSC)c(O)c(C(C)(C)C)c1 ZINC000850152724 1250323010 /nfs/dbraw/zinc/32/30/10/1250323010.db2.gz YKYSLDHQIMKECZ-QGZVFWFLSA-N 1 0 327.490 2.902 20 10 EFCDRO COc1cc(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850172224 1250334220 /nfs/dbraw/zinc/33/42/20/1250334220.db2.gz XUPWUFMUBRLWLY-ZDUSSCGKSA-N 1 0 332.444 2.551 20 10 EFCDRO CC(C)=CCN1CC[C@]2(CC[N@H+](Cc3cc(F)ccc3O)C2)C1=O ZINC001273284161 1265475688 /nfs/dbraw/zinc/47/56/88/1265475688.db2.gz FYNUXDWBIFUOOM-IBGZPJMESA-N 1 0 332.419 2.922 20 10 EFCDRO O=C1N(CC(F)(F)F)CC[C@@]12CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001273283896 1265475980 /nfs/dbraw/zinc/47/59/80/1265475980.db2.gz BMUAKAJAHVISAX-OAHLLOKOSA-N 1 0 346.324 2.518 20 10 EFCDRO COc1cc(C[NH2+][C@@H]2CCn3ccnc3C2)c(O)c(C(C)(C)C)c1 ZINC000850254778 1250381735 /nfs/dbraw/zinc/38/17/35/1250381735.db2.gz VKHQGKJWGDPTQB-CQSZACIVSA-N 1 0 329.444 2.999 20 10 EFCDRO COc1cc(C[NH2+]CCC2(O)CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850295322 1250406674 /nfs/dbraw/zinc/40/66/74/1250406674.db2.gz WAEOUGQQOVXONH-UHFFFAOYSA-N 1 0 337.460 2.720 20 10 EFCDRO COc1cc(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c(O)c(C(C)(C)C)c1 ZINC000850315696 1250422455 /nfs/dbraw/zinc/42/24/55/1250422455.db2.gz JMKCWMAHPZQCAY-IYBDPMFKSA-N 1 0 348.487 2.651 20 10 EFCDRO Cc1cc(O)c(C[NH2+]CC2(S(C)(=O)=O)CCCCC2)cc1C ZINC000850377121 1250454778 /nfs/dbraw/zinc/45/47/78/1250454778.db2.gz XWQMFYWACLBJQX-UHFFFAOYSA-N 1 0 325.474 2.846 20 10 EFCDRO CC(C)n1nccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406398 1250469863 /nfs/dbraw/zinc/46/98/63/1250469863.db2.gz FOSRAYYFELHMIB-UHFFFAOYSA-N 1 0 328.460 2.715 20 10 EFCDRO COCCC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCC1 ZINC000850406863 1250470106 /nfs/dbraw/zinc/47/01/06/1250470106.db2.gz XDHPVKPMCIXVDL-UHFFFAOYSA-N 1 0 332.488 2.944 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(N2CCOCC2)cc1 ZINC000850428135 1250485592 /nfs/dbraw/zinc/48/55/92/1250485592.db2.gz KQPXLKHRKKCIPM-CRAIPNDOSA-N 1 0 326.444 2.905 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCCCC2)c1O ZINC000850530850 1250525006 /nfs/dbraw/zinc/52/50/06/1250525006.db2.gz FBXZVEWDLRIQTG-CYBMUJFWSA-N 1 0 341.473 2.799 20 10 EFCDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000850565840 1250539447 /nfs/dbraw/zinc/53/94/47/1250539447.db2.gz IFQHSSGUOBCPSS-ICSRJNTNSA-N 1 0 332.488 2.941 20 10 EFCDRO C[C@@H]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)[C@H](C[NH3+])C1 ZINC000851646569 1251169247 /nfs/dbraw/zinc/16/92/47/1251169247.db2.gz HHXQPLLCFVHBQW-DOMZBBRYSA-N 1 0 344.484 2.516 20 10 EFCDRO C[C@@H]1C[C@@H](C)C[NH+](CCN(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000851716159 1251218282 /nfs/dbraw/zinc/21/82/82/1251218282.db2.gz JHOKGHSMJSWTCC-RTBURBONSA-N 1 0 345.531 2.933 20 10 EFCDRO COc1ccc(N2CCC[N@H+](CC[C@H]3COC(C)(C)O3)CC2)cc1 ZINC000851733552 1251229782 /nfs/dbraw/zinc/22/97/82/1251229782.db2.gz ZHIQYVKVLKGEMX-SFHVURJKSA-N 1 0 334.460 2.749 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3cc[nH]c3)CC2(C)C)cc1C ZINC000995854587 1254795087 /nfs/dbraw/zinc/79/50/87/1254795087.db2.gz KDTAUQDRDSVYPK-SFHVURJKSA-N 1 0 341.455 2.972 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CC3(F)F)CC2)cc1C ZINC000996341600 1255220252 /nfs/dbraw/zinc/22/02/52/1255220252.db2.gz UBPVPUGDHBKVIW-OAHLLOKOSA-N 1 0 338.398 2.739 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)C3(CF)CC3)CC2)cc1C ZINC000996984149 1256615714 /nfs/dbraw/zinc/61/57/14/1256615714.db2.gz KCMFORSHNFBNJA-UHFFFAOYSA-N 1 0 334.435 2.834 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCO[C@H]3C)CC2)cc1C ZINC000997122816 1256984437 /nfs/dbraw/zinc/98/44/37/1256984437.db2.gz DTTMDQPSNQZGTL-YJBOKZPZSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@]3(C)CCOC3)CC2)cc1C ZINC000997121885 1256987717 /nfs/dbraw/zinc/98/77/17/1256987717.db2.gz HYPCHWJFVJDONB-HXUWFJFHSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C(=O)NCC[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921569295 1257487748 /nfs/dbraw/zinc/48/77/48/1257487748.db2.gz AKQNGJUHVIKJTG-UHFFFAOYSA-N 1 0 340.423 2.540 20 10 EFCDRO c1nn(C2CCC2)cc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000921583006 1257505116 /nfs/dbraw/zinc/50/51/16/1257505116.db2.gz UFBILUYZBGCDTR-UHFFFAOYSA-N 1 0 326.444 2.735 20 10 EFCDRO COc1cccc(C(=O)NCC[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921605661 1257524849 /nfs/dbraw/zinc/52/48/49/1257524849.db2.gz CIRPLWSCDKNMFJ-UHFFFAOYSA-N 1 0 340.423 2.540 20 10 EFCDRO CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(C)cc1O)C2 ZINC001272764665 1257676951 /nfs/dbraw/zinc/67/69/51/1257676951.db2.gz CRBPMUBCSNWSGB-OXJNMPFZSA-N 1 0 346.471 2.550 20 10 EFCDRO COC(C)(C)CN1CC[C@@]2(CC[N@H+](Cc3ccc(C)cc3O)C2)C1=O ZINC001272765348 1257683482 /nfs/dbraw/zinc/68/34/82/1257683482.db2.gz HKNFQHYFQZNDCU-HXUWFJFHSA-N 1 0 346.471 2.550 20 10 EFCDRO COCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C)cc1O ZINC001272766319 1257701913 /nfs/dbraw/zinc/70/19/13/1257701913.db2.gz ONOSAHSWHPVUQO-HXUWFJFHSA-N 1 0 346.471 2.694 20 10 EFCDRO COc1cc(Br)cc(CN2CCC[C@@H](C)[C@H]2C[NH3+])c1O ZINC000843053145 1258290266 /nfs/dbraw/zinc/29/02/66/1258290266.db2.gz YUBAZVCESKRGFC-ZWNOBZJWSA-N 1 0 343.265 2.723 20 10 EFCDRO [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(Br)c3[O-])C[C@H]21 ZINC000843060255 1258496590 /nfs/dbraw/zinc/49/65/90/1258496590.db2.gz ZHSLADVTRXEELT-ZKYQVNSYSA-N 1 0 325.250 2.714 20 10 EFCDRO CC(C)[NH2+]CC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000998294846 1259396033 /nfs/dbraw/zinc/39/60/33/1259396033.db2.gz PUQSIKNHZJZOEX-UHFFFAOYSA-N 1 0 331.420 2.699 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C3CCOCC3)C2)cc1C ZINC000998359574 1259459370 /nfs/dbraw/zinc/45/93/70/1259459370.db2.gz MJKYFKDGZTUNSK-GOSISDBHSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3cccnc3)C2)cc1C ZINC000998373728 1259473547 /nfs/dbraw/zinc/47/35/47/1259473547.db2.gz HSMWRUPLURBCRH-UHFFFAOYSA-N 1 0 339.439 2.791 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3cncs3)C2)cc1C ZINC000998503310 1259604233 /nfs/dbraw/zinc/60/42/33/1259604233.db2.gz NUOAGZIURUVQFJ-UHFFFAOYSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C)SC)C2)cc1C ZINC000998602080 1259732587 /nfs/dbraw/zinc/73/25/87/1259732587.db2.gz RRKZHTDINLRCSR-GDBMZVCRSA-N 1 0 336.501 2.836 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C[C@@H]3CCOC3)C2)cc1C ZINC000998806806 1259946443 /nfs/dbraw/zinc/94/64/43/1259946443.db2.gz RZDCZIZYULZISD-ZWKOTPCHSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](OC)C3CC3)C2)cc1C ZINC000999045732 1260176558 /nfs/dbraw/zinc/17/65/58/1260176558.db2.gz KOSJUHJMLVIYGG-MJGOQNOKSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3conc3C)C2)cc1C ZINC000999336852 1260525552 /nfs/dbraw/zinc/52/55/52/1260525552.db2.gz KTDSDBAKQRNJBL-UHFFFAOYSA-N 1 0 343.427 2.693 20 10 EFCDRO [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC12CCOCC2 ZINC000843125204 1260614012 /nfs/dbraw/zinc/61/40/12/1260614012.db2.gz NZKLIBJAJWBBSP-GFCCVEGCSA-N 1 0 345.270 2.886 20 10 EFCDRO C[C@H](F)CC[NH+]1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001004243270 1266351151 /nfs/dbraw/zinc/35/11/51/1266351151.db2.gz PNGCLFPWPLYTLP-LBPRGKRZSA-N 1 0 349.410 2.791 20 10 EFCDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1c(C)n(C)c3ccccc31)CC2 ZINC001273309141 1266379060 /nfs/dbraw/zinc/37/90/60/1266379060.db2.gz FNDSVQMFRVVGJV-QGZVFWFLSA-N 1 0 325.456 2.835 20 10 EFCDRO CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001272902764 1261295018 /nfs/dbraw/zinc/29/50/18/1261295018.db2.gz HEBZPOKMYXTBFI-HNNXBMFYSA-N 1 0 332.444 2.616 20 10 EFCDRO CC(C)=CCN1CCC2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)C1=O ZINC001272903827 1261297760 /nfs/dbraw/zinc/29/77/60/1261297760.db2.gz ZLBUPNQFGKRKHV-UHFFFAOYSA-N 1 0 344.455 2.879 20 10 EFCDRO O=C(NCCC[NH2+]Cc1ccc2c(c1)CCCO2)c1cccs1 ZINC000921739388 1261315458 /nfs/dbraw/zinc/31/54/58/1261315458.db2.gz RDMSWQVUDWSXNP-UHFFFAOYSA-N 1 0 330.453 2.983 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]23CCN(CC(F)F)C3=O)cc1 ZINC001272917014 1261328441 /nfs/dbraw/zinc/32/84/41/1261328441.db2.gz OOIQOWHAUHEGFU-GOSISDBHSA-N 1 0 337.414 2.585 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CC3CC3)CCCO2)cc1C ZINC001078313774 1261643907 /nfs/dbraw/zinc/64/39/07/1261643907.db2.gz KISBSSZHJYZOHJ-GOSISDBHSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](NC(=O)C3CC3)C23CCC3)cc1C ZINC001078526510 1261896658 /nfs/dbraw/zinc/89/66/58/1261896658.db2.gz PNMYVROFBQPVER-MSOLQXFVSA-N 1 0 328.456 2.931 20 10 EFCDRO CCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C12CCC2 ZINC001078823670 1262411134 /nfs/dbraw/zinc/41/11/34/1262411134.db2.gz RWMUEUHUTOPRLG-GJZGRUSLSA-N 1 0 343.431 2.890 20 10 EFCDRO CCC[NH2+][C@@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C12CCC2 ZINC001078823669 1262411166 /nfs/dbraw/zinc/41/11/66/1262411166.db2.gz RWMUEUHUTOPRLG-CABCVRRESA-N 1 0 343.431 2.890 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCCO3)C[C@H]2C)cc1C ZINC001082476973 1263182065 /nfs/dbraw/zinc/18/20/65/1263182065.db2.gz YZTGYMRWBNHLKY-SZVBFZGTSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](OC)C(C)C)C[C@H]2C)cc1C ZINC001082720236 1263299464 /nfs/dbraw/zinc/29/94/64/1263299464.db2.gz MJVYTFTVAAJGRC-SUMDDJOVSA-N 1 0 348.487 2.611 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNc3nc(C)cc(C)n3)cc2F)CC1 ZINC000730108415 1264187150 /nfs/dbraw/zinc/18/71/50/1264187150.db2.gz MDMNTBAACIIHBE-UHFFFAOYSA-N 1 0 343.450 2.987 20 10 EFCDRO CC(C)(C)c1cccc(C[N@@H+]2CCOC[C@@](O)(C(F)(F)F)C2)c1O ZINC001143103580 1264215599 /nfs/dbraw/zinc/21/55/99/1264215599.db2.gz FVBNEYRAXKIYKR-MRXNPFEDSA-N 1 0 347.377 2.815 20 10 EFCDRO CCOc1ccc(C[NH2+]CC(C)(C)N2CCC(OC)CC2)c(O)c1 ZINC000730817528 1264452944 /nfs/dbraw/zinc/45/29/44/1264452944.db2.gz QCXLHIUOZPOQLK-UHFFFAOYSA-N 1 0 336.476 2.770 20 10 EFCDRO CCOc1cccc(C[NH2+]CC(C)(C)N2CCC(OC)CC2)c1O ZINC000730817304 1264453098 /nfs/dbraw/zinc/45/30/98/1264453098.db2.gz LAYGHUIECZEQLX-UHFFFAOYSA-N 1 0 336.476 2.770 20 10 EFCDRO Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCO1 ZINC000922164453 1264734972 /nfs/dbraw/zinc/73/49/72/1264734972.db2.gz ZZAACSDZFQPMPI-APWZRJJASA-N 1 0 327.428 2.755 20 10 EFCDRO O=C1N(CC2CCCC2)CC[C@]12CC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001272988231 1264742253 /nfs/dbraw/zinc/74/22/53/1264742253.db2.gz OMCIQHHKFVCEQR-FQEVSTJZSA-N 1 0 344.455 2.712 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)cc1[O-] ZINC000186520108 1265017369 /nfs/dbraw/zinc/01/73/69/1265017369.db2.gz STSZUSQLBFDANU-KDOFPFPSSA-N 1 0 344.430 2.949 20 10 EFCDRO Cc1ccc(O)c(C[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)c1 ZINC000733322186 1265168416 /nfs/dbraw/zinc/16/84/16/1265168416.db2.gz OPNOEAYBWBASNR-QGZVFWFLSA-N 1 0 345.512 2.840 20 10 EFCDRO CS(=O)(=O)Nc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000733325589 1265169557 /nfs/dbraw/zinc/16/95/57/1265169557.db2.gz LHOHFOGPUBPCNT-UHFFFAOYSA-N 1 0 340.832 2.707 20 10 EFCDRO CO[C@@H](C[NH2+]Cc1cc(Br)ccc1O)C(F)(F)F ZINC000733329368 1265173410 /nfs/dbraw/zinc/17/34/10/1265173410.db2.gz RKCRVHZYVZLHCJ-JTQLQIEISA-N 1 0 328.128 2.822 20 10 EFCDRO COc1cccc(O)c1C[NH2+]CCc1nc2c(cccc2F)n1C ZINC000733334301 1265173954 /nfs/dbraw/zinc/17/39/54/1265173954.db2.gz FEMVWYOPIBNLAU-UHFFFAOYSA-N 1 0 329.375 2.759 20 10 EFCDRO O[C@@H]1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824715214 1278258670 /nfs/dbraw/zinc/25/86/70/1278258670.db2.gz JIDPERVSZVPPOH-XKGZKEIXSA-N 1 0 348.462 2.788 20 10 EFCDRO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(C)ccc(C)c1O ZINC001273049175 1266789823 /nfs/dbraw/zinc/78/98/23/1266789823.db2.gz OQBFXSVBQCTSFF-ZTFGCOKTSA-N 1 0 344.455 2.552 20 10 EFCDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1ccc(N(C)C)cc1C ZINC000734385182 1266964085 /nfs/dbraw/zinc/96/40/85/1266964085.db2.gz MSCAZLUIZKORGW-QGZVFWFLSA-N 1 0 334.533 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnco2)cc1C ZINC001085290193 1267050964 /nfs/dbraw/zinc/05/09/64/1267050964.db2.gz UFUVEHOUZTXQDU-HZPDHXFCSA-N 1 0 343.427 2.822 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000734661392 1267057491 /nfs/dbraw/zinc/05/74/91/1267057491.db2.gz LNAGZVGRVWXKCX-WBVHZDCISA-N 1 0 346.519 2.981 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000734687039 1267064565 /nfs/dbraw/zinc/06/45/65/1267064565.db2.gz DARSQMKEYGUTOD-UHFFFAOYSA-N 1 0 332.492 2.687 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000734688490 1267065806 /nfs/dbraw/zinc/06/58/06/1267065806.db2.gz PMXWWRJMTQEFPG-LJQANCHMSA-N 1 0 344.503 2.831 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3=O)C2)c(OC)c1 ZINC001273324687 1267362813 /nfs/dbraw/zinc/36/28/13/1267362813.db2.gz ASVTYHHQLNUCGL-FQEVSTJZSA-N 1 0 345.487 2.596 20 10 EFCDRO CC(C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085437121 1267472172 /nfs/dbraw/zinc/47/21/72/1267472172.db2.gz RSIDKPBKFQJLHB-HUUCEWRRSA-N 1 0 331.420 2.888 20 10 EFCDRO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC000824914524 1278341564 /nfs/dbraw/zinc/34/15/64/1278341564.db2.gz TXXUAJBLGQBYAF-INIZCTEOSA-N 1 0 333.453 2.945 20 10 EFCDRO Fc1cc(C[N@@H+]2CCSC[C@@H]2C2CC2)ccc1N1CCOCC1 ZINC000824914804 1278342414 /nfs/dbraw/zinc/34/24/14/1278342414.db2.gz ZPVOPDONEOJTSM-GOSISDBHSA-N 1 0 336.476 2.990 20 10 EFCDRO CCc1ccc([C@H](CNC(=O)c2cccc(O)c2O)[NH+](C)C)cc1 ZINC000186760166 1267683307 /nfs/dbraw/zinc/68/33/07/1267683307.db2.gz DSZQPOAIRXCTPE-INIZCTEOSA-N 1 0 328.412 2.693 20 10 EFCDRO COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000186775976 1267707404 /nfs/dbraw/zinc/70/74/04/1267707404.db2.gz UVTXUJMGQFCZBB-QWHCGFSZSA-N 1 0 336.432 2.918 20 10 EFCDRO COCC(COC)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000824921813 1278354372 /nfs/dbraw/zinc/35/43/72/1278354372.db2.gz SUBNXKAFZCRTHO-UHFFFAOYSA-N 1 0 331.412 2.722 20 10 EFCDRO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(Cn3cncn3)CC2)c1 ZINC000186901436 1267963521 /nfs/dbraw/zinc/96/35/21/1267963521.db2.gz VFVCZHQNDNMBMG-UHFFFAOYSA-N 1 0 344.459 2.899 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)c1 ZINC000825046031 1278395553 /nfs/dbraw/zinc/39/55/53/1278395553.db2.gz OSNSXXKPDFWCHI-KBXCAEBGSA-N 1 0 331.416 2.534 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C(=O)NCCc1ccccc1 ZINC000825035399 1278390534 /nfs/dbraw/zinc/39/05/34/1278390534.db2.gz ISJMXAOWBJNUJO-HNNXBMFYSA-N 1 0 343.446 2.729 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1C ZINC000825068272 1278404114 /nfs/dbraw/zinc/40/41/14/1278404114.db2.gz MKUCSHDFOZADEO-AWEZNQCLSA-N 1 0 326.387 2.745 20 10 EFCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000825068305 1278404204 /nfs/dbraw/zinc/40/42/04/1278404204.db2.gz NLSUXIVHDAKGCL-CQSZACIVSA-N 1 0 328.412 2.585 20 10 EFCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCO[C@@H](c3ccccn3)C1)OCO2 ZINC000825085512 1278408216 /nfs/dbraw/zinc/40/82/16/1278408216.db2.gz LCOLTUMUOBNUQK-CZUORRHYSA-N 1 0 328.368 2.526 20 10 EFCDRO COc1cccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)c1O ZINC000825118054 1278417329 /nfs/dbraw/zinc/41/73/29/1278417329.db2.gz OGVYDOAVMWANFE-PVAVHDDUSA-N 1 0 345.443 2.884 20 10 EFCDRO COc1ccc(C(=O)NCC[NH2+]Cc2cc(Cl)c(C)cc2O)cc1 ZINC000825131073 1278423664 /nfs/dbraw/zinc/42/36/64/1278423664.db2.gz JJFSEHFDNHEQGD-UHFFFAOYSA-N 1 0 348.830 2.882 20 10 EFCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1Cl ZINC000825138658 1278425995 /nfs/dbraw/zinc/42/59/95/1278425995.db2.gz SAXMXVKRDQEALO-OAHLLOKOSA-N 1 0 335.835 2.710 20 10 EFCDRO CNC(=O)C1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825144921 1278428263 /nfs/dbraw/zinc/42/82/63/1278428263.db2.gz UAVFQCBTPVBFOG-UHFFFAOYSA-N 1 0 341.249 2.549 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@H]2CO)ccc1N1CCCCC1 ZINC000825183086 1278442362 /nfs/dbraw/zinc/44/23/62/1278442362.db2.gz HWBHFCCADKLLRV-HOTGVXAUSA-N 1 0 333.432 2.836 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)c2C)cc1 ZINC000825188725 1278470997 /nfs/dbraw/zinc/47/09/97/1278470997.db2.gz NFQHEFDVHMSRQK-JKSUJKDBSA-N 1 0 341.455 2.960 20 10 EFCDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000741086040 1269287323 /nfs/dbraw/zinc/28/73/23/1269287323.db2.gz CLVHECNNGSYMRH-GOSISDBHSA-N 1 0 342.487 2.594 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)c2C)cc1 ZINC000825245036 1278483762 /nfs/dbraw/zinc/48/37/62/1278483762.db2.gz CPONWMLRWNQXLM-BEFAXECRSA-N 1 0 339.439 2.537 20 10 EFCDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000825278577 1278492048 /nfs/dbraw/zinc/49/20/48/1278492048.db2.gz FRWWDDWCSKZPIE-WBVHZDCISA-N 1 0 340.423 2.715 20 10 EFCDRO CC(=O)N1CCC(C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825227775 1278490360 /nfs/dbraw/zinc/49/03/60/1278490360.db2.gz OTRPTCSXPJUNLK-UHFFFAOYSA-N 1 0 341.249 2.503 20 10 EFCDRO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000825279120 1278491141 /nfs/dbraw/zinc/49/11/41/1278491141.db2.gz OKFKUMDNLSOUOK-HNNXBMFYSA-N 1 0 327.428 2.781 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+]CCCOC1CCOCC1 ZINC000825298088 1278495089 /nfs/dbraw/zinc/49/50/89/1278495089.db2.gz USFMNBSEOUVEKH-UHFFFAOYSA-N 1 0 344.249 2.830 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)C(=O)NC ZINC000825316606 1278504587 /nfs/dbraw/zinc/50/45/87/1278504587.db2.gz PYMHDMOQNICBJS-QGZVFWFLSA-N 1 0 331.485 2.999 20 10 EFCDRO C[C@](O)(C[NH2+]Cc1ccc(Br)cc1O)c1ccco1 ZINC000825326526 1278506447 /nfs/dbraw/zinc/50/64/47/1278506447.db2.gz RGFGQZIZPUGGFO-AWEZNQCLSA-N 1 0 326.190 2.745 20 10 EFCDRO COc1cc(F)cc(C[C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000825325920 1278507544 /nfs/dbraw/zinc/50/75/44/1278507544.db2.gz IDQNLEZOTRIVQO-NSHDSACASA-N 1 0 333.359 2.989 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000825354302 1278518456 /nfs/dbraw/zinc/51/84/56/1278518456.db2.gz SQYCQXFETDIWNU-HOTGVXAUSA-N 1 0 334.213 2.903 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1c2ccccc2C[C@H]1O ZINC000825354303 1278519400 /nfs/dbraw/zinc/51/94/00/1278519400.db2.gz SQYCQXFETDIWNU-HZPDHXFCSA-N 1 0 334.213 2.903 20 10 EFCDRO O=C1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000742391079 1270018091 /nfs/dbraw/zinc/01/80/91/1270018091.db2.gz BZSZZTOIEJSGGY-ZCNNSNEGSA-N 1 0 348.446 2.868 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000825406024 1278539091 /nfs/dbraw/zinc/53/90/91/1278539091.db2.gz OIXUOHYNMOCNPZ-DZGCQCFKSA-N 1 0 342.233 2.582 20 10 EFCDRO c1ccc2c(c1)CCN2CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000742718257 1270198930 /nfs/dbraw/zinc/19/89/30/1270198930.db2.gz NGMHBQLFEGPGMK-UHFFFAOYSA-N 1 0 337.467 2.676 20 10 EFCDRO CCCCCC[N@H+](C)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000742952567 1270333945 /nfs/dbraw/zinc/33/39/45/1270333945.db2.gz LSTLJOYHAUEOPV-UHFFFAOYSA-N 1 0 333.476 2.990 20 10 EFCDRO CN1C(=O)C[C@]2(CCC[N@H+](Cc3cccc(C(C)(C)C)c3O)C2)C1=O ZINC001273410577 1270495840 /nfs/dbraw/zinc/49/58/40/1270495840.db2.gz RJXXFDWKVFFLGB-FQEVSTJZSA-N 1 0 344.455 2.661 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3nocc3C)C2)cc1C ZINC001086247228 1270660579 /nfs/dbraw/zinc/66/05/79/1270660579.db2.gz HKDZGJVOPKJEAJ-IYBDPMFKSA-N 1 0 343.427 2.598 20 10 EFCDRO CN(Cc1c(C2CC2)cnn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000825509776 1278578105 /nfs/dbraw/zinc/57/81/05/1278578105.db2.gz QOKLFXOYNXEBGM-UHFFFAOYSA-N 1 0 328.460 2.874 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3cccnc3)C2)cc1C ZINC001086294309 1270857467 /nfs/dbraw/zinc/85/74/67/1270857467.db2.gz RPQAABPYVCDISX-SAABIXHNSA-N 1 0 339.439 2.697 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3ocnc3C)C2)cc1C ZINC001086334362 1271037590 /nfs/dbraw/zinc/03/75/90/1271037590.db2.gz QZQPTDZSEKREFL-WKILWMFISA-N 1 0 343.427 2.598 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CC3(F)F)C2)cc1C ZINC001086359869 1271143238 /nfs/dbraw/zinc/14/32/38/1271143238.db2.gz OEWQBCJKLIGSOB-RBSFLKMASA-N 1 0 338.398 2.643 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3ccsn3)C2)cc1C ZINC001086397842 1271294906 /nfs/dbraw/zinc/29/49/06/1271294906.db2.gz JPOKHZMBSKQABR-SHTZXODSSA-N 1 0 345.468 2.758 20 10 EFCDRO CCOC(=O)C1(C[NH2+]Cc2cc(OC)c(OC)cc2O)CCCC1 ZINC000792194652 1278634840 /nfs/dbraw/zinc/63/48/40/1278634840.db2.gz FHLNHDSRPSDJHY-UHFFFAOYSA-N 1 0 337.416 2.623 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)c(O)c1 ZINC000702553184 1271479572 /nfs/dbraw/zinc/47/95/72/1271479572.db2.gz IWCGFMZWIFALLO-DYESRHJHSA-N 1 0 340.467 2.988 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)c(O)c1 ZINC000702553186 1271479592 /nfs/dbraw/zinc/47/95/92/1271479592.db2.gz IWCGFMZWIFALLO-UTKZUKDTSA-N 1 0 340.467 2.988 20 10 EFCDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000745827278 1271649646 /nfs/dbraw/zinc/64/96/46/1271649646.db2.gz DZCMFBRHLVMACM-KRWDZBQOSA-N 1 0 346.519 2.934 20 10 EFCDRO C[C@H]1C[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC[N@@H+]1C ZINC000745858697 1271659898 /nfs/dbraw/zinc/65/98/98/1271659898.db2.gz SWDHBODOTOVWIU-RDJZCZTQSA-N 1 0 344.503 2.909 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CC[C@@H](C)O3)C2)cc1C ZINC001086483976 1271726662 /nfs/dbraw/zinc/72/66/62/1271726662.db2.gz DCJNUPVMEMKAQA-KLICCBINSA-N 1 0 346.471 2.556 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1 ZINC000746046596 1271740075 /nfs/dbraw/zinc/74/00/75/1271740075.db2.gz BFDKZYFFNRXFRJ-INIZCTEOSA-N 1 0 344.480 2.772 20 10 EFCDRO CC[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)[NH+](CC)CC ZINC000746132953 1271807610 /nfs/dbraw/zinc/80/76/10/1271807610.db2.gz OAQGPHYURINRDP-GOSISDBHSA-N 1 0 349.544 2.976 20 10 EFCDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000746133574 1271810470 /nfs/dbraw/zinc/81/04/70/1271810470.db2.gz VTOGODCOXXCNGU-IYBDPMFKSA-N 1 0 347.528 2.729 20 10 EFCDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000746306138 1271972779 /nfs/dbraw/zinc/97/27/79/1271972779.db2.gz IWJZDICDKWDUQW-UHFFFAOYSA-N 1 0 337.467 2.854 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCC[N@H+](CCCF)C2)cc1 ZINC001034548915 1272266743 /nfs/dbraw/zinc/26/67/43/1272266743.db2.gz VOODRDYGDSAUGB-HNNXBMFYSA-N 1 0 349.410 2.793 20 10 EFCDRO C[C@@H]([NH2+]C[C@H]1CC2(CCC2)C(=O)O1)c1ccc(N2CCOCC2)cc1 ZINC000792275414 1278707990 /nfs/dbraw/zinc/70/79/90/1278707990.db2.gz AELVYRJKEFETQK-CRAIPNDOSA-N 1 0 344.455 2.660 20 10 EFCDRO CCOC(=O)[C@H]1CC[C@H]([N@H+](CC)Cc2ccc(N(C)C)cc2)CO1 ZINC001169415312 1272901155 /nfs/dbraw/zinc/90/11/55/1272901155.db2.gz CYTXQEXOSKEKMS-ZWKOTPCHSA-N 1 0 334.460 2.685 20 10 EFCDRO CCC1(C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)CCOCC1 ZINC001169498619 1272967793 /nfs/dbraw/zinc/96/77/93/1272967793.db2.gz IHYHSOUYLLXNHJ-UHFFFAOYSA-N 1 0 348.487 2.806 20 10 EFCDRO COc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)OC)cc1C ZINC001169497865 1272967912 /nfs/dbraw/zinc/96/79/12/1272967912.db2.gz GOTGFDPFHJCPEB-HZPDHXFCSA-N 1 0 336.476 2.803 20 10 EFCDRO CCN(CC)C(=O)C[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001169487086 1272976793 /nfs/dbraw/zinc/97/67/93/1272976793.db2.gz PMCGUGKOEHSKOH-QGZVFWFLSA-N 1 0 347.503 2.773 20 10 EFCDRO CCOC(=O)N1CCC[C@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001169703286 1273106717 /nfs/dbraw/zinc/10/67/17/1273106717.db2.gz FILXUWYFIJTFSZ-INIZCTEOSA-N 1 0 348.443 2.857 20 10 EFCDRO CC[C@@H](OC)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001034876490 1273167696 /nfs/dbraw/zinc/16/76/96/1273167696.db2.gz BADBUFZDTIXAIC-IAGOWNOFSA-N 1 0 334.460 2.509 20 10 EFCDRO CCN(CC)c1ccc(CN(C)C(=O)c2csc(CC[NH3+])n2)cc1 ZINC000844167143 1278777251 /nfs/dbraw/zinc/77/72/51/1278777251.db2.gz RHDSQFUKBRPDSB-UHFFFAOYSA-N 1 0 346.500 2.763 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)Cc2ccco2)cc1C ZINC001035083857 1273488617 /nfs/dbraw/zinc/48/86/17/1273488617.db2.gz ZRZLADIIGQUPRY-QGZVFWFLSA-N 1 0 342.439 2.920 20 10 EFCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)Nc1cccnc1Cl ZINC000844220427 1278796490 /nfs/dbraw/zinc/79/64/90/1278796490.db2.gz WOYYPXYANUKNCS-UHFFFAOYSA-N 1 0 330.819 2.585 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)Cc2ccc[nH]2)cc1C ZINC001035135053 1273608369 /nfs/dbraw/zinc/60/83/69/1273608369.db2.gz JQYZMFDPRMEKOL-GOSISDBHSA-N 1 0 341.455 2.655 20 10 EFCDRO Cc1cc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000844200891 1278804639 /nfs/dbraw/zinc/80/46/39/1278804639.db2.gz HLAVRMQUQFCZJS-VBQJREDUSA-N 1 0 340.471 2.935 20 10 EFCDRO Cc1cc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000844200890 1278805311 /nfs/dbraw/zinc/80/53/11/1278805311.db2.gz HLAVRMQUQFCZJS-KEYYUXOJSA-N 1 0 340.471 2.935 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000691445145 1274054951 /nfs/dbraw/zinc/05/49/51/1274054951.db2.gz OPEBZCOONZHXKZ-KGLIPLIRSA-N 1 0 325.250 2.871 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000691445149 1274055122 /nfs/dbraw/zinc/05/51/22/1274055122.db2.gz OPEBZCOONZHXKZ-ZIAGYGMSSA-N 1 0 325.250 2.871 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cnoc2C2CC2)cc1C ZINC001169993891 1274177775 /nfs/dbraw/zinc/17/77/75/1274177775.db2.gz IGJZYLBBYYVSGI-UHFFFAOYSA-N 1 0 343.427 2.779 20 10 EFCDRO Cc1nnc(CC[NH2+]Cc2c(O)cccc2Br)s1 ZINC000706821534 1275034419 /nfs/dbraw/zinc/03/44/19/1275034419.db2.gz JLQOMEIHAAFQQZ-UHFFFAOYSA-N 1 0 328.235 2.647 20 10 EFCDRO O=C1[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCCN1C1CCCCC1 ZINC000785549556 1275115641 /nfs/dbraw/zinc/11/56/41/1275115641.db2.gz VPPHJKARFJZBSP-HNNXBMFYSA-N 1 0 346.427 2.534 20 10 EFCDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000785986614 1275265593 /nfs/dbraw/zinc/26/55/93/1275265593.db2.gz BKCNOSCGPNVHBI-ZRGWGRIASA-N 1 0 336.451 2.644 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)c2ccc(F)cc2)cc1 ZINC000844399455 1278948149 /nfs/dbraw/zinc/94/81/49/1278948149.db2.gz JZNOEWBFSCNDLQ-IBGZPJMESA-N 1 0 332.419 2.936 20 10 EFCDRO CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000786768266 1275518635 /nfs/dbraw/zinc/51/86/35/1275518635.db2.gz NWNZSLFUTWSIGI-UHFFFAOYSA-N 1 0 334.508 2.934 20 10 EFCDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)s1 ZINC000786827944 1275535538 /nfs/dbraw/zinc/53/55/38/1275535538.db2.gz PERYUAWJUYLCKV-UHFFFAOYSA-N 1 0 331.846 2.800 20 10 EFCDRO O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000787248032 1275721803 /nfs/dbraw/zinc/72/18/03/1275721803.db2.gz NKWAMZWZSQEPJU-LJQANCHMSA-N 1 0 327.472 2.920 20 10 EFCDRO O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000787248030 1275721920 /nfs/dbraw/zinc/72/19/20/1275721920.db2.gz NKWAMZWZSQEPJU-IBGZPJMESA-N 1 0 327.472 2.920 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2[C@@H](C)CCCN2C(=O)C(F)F)cc1C ZINC001036479199 1275728440 /nfs/dbraw/zinc/72/84/40/1275728440.db2.gz IXFIJIHYHJCDMI-WFASDCNBSA-N 1 0 340.414 2.985 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@H+](C)[C@@H](C)CN3CCOCC3)c2c1 ZINC000788376643 1276156963 /nfs/dbraw/zinc/15/69/63/1276156963.db2.gz ARRYXWJOLIFWBP-HNNXBMFYSA-N 1 0 344.455 2.707 20 10 EFCDRO CCn1cccc(C[NH2+]Cc2cc(Br)ccc2O)c1=O ZINC000788523311 1276208868 /nfs/dbraw/zinc/20/88/68/1276208868.db2.gz AJVMBEVVVNVPCU-UHFFFAOYSA-N 1 0 337.217 2.626 20 10 EFCDRO CC(C)[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H](O)c1ccccc1 ZINC000788541378 1276212802 /nfs/dbraw/zinc/21/28/02/1276212802.db2.gz WKGDHFZXQXQZEX-RTBURBONSA-N 1 0 329.396 2.969 20 10 EFCDRO CC(C)[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H](O)c1ccccc1 ZINC000788541375 1276213058 /nfs/dbraw/zinc/21/30/58/1276213058.db2.gz WKGDHFZXQXQZEX-MOPGFXCFSA-N 1 0 329.396 2.969 20 10 EFCDRO Cc1ccc(NCC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)nc1 ZINC000922923975 1276344454 /nfs/dbraw/zinc/34/44/54/1276344454.db2.gz AXWKKDPEHHPWLC-UHFFFAOYSA-N 1 0 344.434 2.567 20 10 EFCDRO C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000817888165 1276347219 /nfs/dbraw/zinc/34/72/19/1276347219.db2.gz JDYCIMBZOOKJDQ-FSZRXZPDSA-N 1 0 335.467 2.669 20 10 EFCDRO C[C@@H]1CN(c2ccc(CN[C@@H]3C[NH2+]CC[C@@H]3C)cc2F)C[C@@H](C)O1 ZINC000817889310 1276347515 /nfs/dbraw/zinc/34/75/15/1276347515.db2.gz SJNGFCJXXGKCRD-LUXYFRNMSA-N 1 0 335.467 2.527 20 10 EFCDRO [NH3+][C@@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC000817888797 1276347925 /nfs/dbraw/zinc/34/79/25/1276347925.db2.gz OSCXYXLKCMMQGO-MOPGFXCFSA-N 1 0 341.430 2.897 20 10 EFCDRO [NH3+][C@H]1CCC[C@H]1NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000817888606 1276348147 /nfs/dbraw/zinc/34/81/47/1276348147.db2.gz MZJCULLJRUEHOJ-JKSUJKDBSA-N 1 0 343.393 2.511 20 10 EFCDRO C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000817899334 1276366014 /nfs/dbraw/zinc/36/60/14/1276366014.db2.gz LGTFGNCGIQXQDH-CPUCHLNUSA-N 1 0 339.430 2.987 20 10 EFCDRO C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000817899332 1276366653 /nfs/dbraw/zinc/36/66/53/1276366653.db2.gz LGTFGNCGIQXQDH-CKEIUWERSA-N 1 0 339.430 2.987 20 10 EFCDRO CC1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)cc2)CC1 ZINC000817902797 1276366960 /nfs/dbraw/zinc/36/69/60/1276366960.db2.gz YGGCKHFSJIXVML-NHCUHLMSSA-N 1 0 343.515 2.780 20 10 EFCDRO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817901568 1276366981 /nfs/dbraw/zinc/36/69/81/1276366981.db2.gz WZSUNNCWLCZOOK-KEYYUXOJSA-N 1 0 339.430 2.844 20 10 EFCDRO CC1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)cc2)CC1 ZINC000817902799 1276366993 /nfs/dbraw/zinc/36/69/93/1276366993.db2.gz YGGCKHFSJIXVML-SFTDATJTSA-N 1 0 343.515 2.780 20 10 EFCDRO C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(Br)c(F)cc1[O-] ZINC000817968402 1276411208 /nfs/dbraw/zinc/41/12/08/1276411208.db2.gz RQMFLFRILLUAGI-VIFPVBQESA-N 1 0 329.213 2.864 20 10 EFCDRO [NH3+][C@@H]1CCCCC[C@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817937324 1276384212 /nfs/dbraw/zinc/38/42/12/1276384212.db2.gz YCSSUADAYNLYCS-IAGOWNOFSA-N 1 0 339.430 2.551 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc2c(c1)OCO2 ZINC000817939141 1276386390 /nfs/dbraw/zinc/38/63/90/1276386390.db2.gz ZNJDKUFQNFOZCL-DYVFJYSZSA-N 1 0 327.428 2.832 20 10 EFCDRO Cc1noc(C2CCC([NH2+]C[C@@H](N)c3ccc(N(C)C)cc3)CC2)n1 ZINC000817944334 1276389415 /nfs/dbraw/zinc/38/94/15/1276389415.db2.gz ZHUWGDWPQIZWLV-LEOMRAHMSA-N 1 0 343.475 2.760 20 10 EFCDRO CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817945258 1276390670 /nfs/dbraw/zinc/39/06/70/1276390670.db2.gz YFMDRLRVZJVGJN-CYBMUJFWSA-N 1 0 332.275 2.645 20 10 EFCDRO C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Br)c(F)cc1[O-] ZINC000817945994 1276390843 /nfs/dbraw/zinc/39/08/43/1276390843.db2.gz PMUHYXYVBJGXMC-UWVGGRQHSA-N 1 0 331.229 2.944 20 10 EFCDRO C[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817946337 1276390949 /nfs/dbraw/zinc/39/09/49/1276390949.db2.gz WSXZGYCIOFWUBM-CABCVRRESA-N 1 0 337.895 2.827 20 10 EFCDRO COc1cc([C@@H](C)[NH2+]CCc2ccc(N)cc2)ccc1S(C)(=O)=O ZINC000817955835 1276397064 /nfs/dbraw/zinc/39/70/64/1276397064.db2.gz IXQUCIXALAMZLD-CYBMUJFWSA-N 1 0 348.468 2.574 20 10 EFCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cccc(N2CCOCC2)c1 ZINC000817956085 1276397232 /nfs/dbraw/zinc/39/72/32/1276397232.db2.gz QHAACQXKLPBVLO-MRXNPFEDSA-N 1 0 325.456 2.999 20 10 EFCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1cccc(N2CCOCC2)c1 ZINC000817956084 1276397676 /nfs/dbraw/zinc/39/76/76/1276397676.db2.gz QHAACQXKLPBVLO-INIZCTEOSA-N 1 0 325.456 2.999 20 10 EFCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000817955741 1276397683 /nfs/dbraw/zinc/39/76/83/1276397683.db2.gz GRHYYEXINCEAPC-LBPRGKRZSA-N 1 0 336.432 2.705 20 10 EFCDRO CC(C)[C@@H]([NH3+])CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817958986 1276399592 /nfs/dbraw/zinc/39/95/92/1276399592.db2.gz NZZRJMAPAVWRAS-GUYCJALGSA-N 1 0 325.884 2.811 20 10 EFCDRO CC(C)[C@H]([NH3+])CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817958983 1276399718 /nfs/dbraw/zinc/39/97/18/1276399718.db2.gz NZZRJMAPAVWRAS-CXAGYDPISA-N 1 0 325.884 2.811 20 10 EFCDRO CCC[NH2+]CCN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817961998 1276403769 /nfs/dbraw/zinc/40/37/69/1276403769.db2.gz GECCVTYZPXADFE-CQSZACIVSA-N 1 0 325.884 2.827 20 10 EFCDRO C[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817968509 1276411846 /nfs/dbraw/zinc/41/18/46/1276411846.db2.gz KREULMFJAHLOJC-HUUCEWRRSA-N 1 0 337.895 2.969 20 10 EFCDRO C[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817968507 1276411961 /nfs/dbraw/zinc/41/19/61/1276411961.db2.gz KREULMFJAHLOJC-CABCVRRESA-N 1 0 337.895 2.969 20 10 EFCDRO C[C@H](N[C@H]1CC[NH2+][C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817971871 1276413464 /nfs/dbraw/zinc/41/34/64/1276413464.db2.gz QLFHFFYONNIRMW-ILXRZTDVSA-N 1 0 337.895 2.968 20 10 EFCDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000788981723 1276449133 /nfs/dbraw/zinc/44/91/33/1276449133.db2.gz GAFLIQHYVMHCNB-GHMZBOCLSA-N 1 0 343.265 2.981 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3C[C@@H](C)N(C4CC4)C3)C2)cc1 ZINC000818221051 1276493129 /nfs/dbraw/zinc/49/31/29/1276493129.db2.gz KVAPGIVHFQXVSO-BRWVUGGUSA-N 1 0 329.488 2.736 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3C[C@H](C)N(C4CC4)C3)C2)cc1 ZINC000818221050 1276493550 /nfs/dbraw/zinc/49/35/50/1276493550.db2.gz KVAPGIVHFQXVSO-BBWFWOEESA-N 1 0 329.488 2.736 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cn4ccccc4n3)C2)cc1 ZINC000818219447 1276493571 /nfs/dbraw/zinc/49/35/71/1276493571.db2.gz GHCNUQOASQJAHQ-INIZCTEOSA-N 1 0 336.439 2.959 20 10 EFCDRO CCc1nn(C)cc1C[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818222187 1276493638 /nfs/dbraw/zinc/49/36/38/1276493638.db2.gz QVHNOILANCGZKD-OAHLLOKOSA-N 1 0 328.460 2.607 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ncc(Cl)n3C)C2)cc1 ZINC000818221514 1276493728 /nfs/dbraw/zinc/49/37/28/1276493728.db2.gz NMOPLRVQSJYAPA-ZDUSSCGKSA-N 1 0 334.851 2.698 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)CCn3cccn3)C2)cc1 ZINC000818342124 1276510224 /nfs/dbraw/zinc/51/02/24/1276510224.db2.gz LXJBOGZMOIKXCM-IRXDYDNUSA-N 1 0 328.460 2.786 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](c3nccn3C)C3CC3)C2)cc1 ZINC000818342853 1276511676 /nfs/dbraw/zinc/51/16/76/1276511676.db2.gz VXQHEOJNKPQYBG-HNAYVOBHSA-N 1 0 340.471 2.996 20 10 EFCDRO CN(C)c1ccc(CN(C(=O)NCC2([NH+](C)C)CC2)C2CC2)cc1 ZINC000923012702 1276524018 /nfs/dbraw/zinc/52/40/18/1276524018.db2.gz LMFYXOHBLFMONW-UHFFFAOYSA-N 1 0 330.476 2.521 20 10 EFCDRO CON(C)C(=O)CC[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000818980926 1276562779 /nfs/dbraw/zinc/56/27/79/1276562779.db2.gz PGZPWZWVJCWHLO-UHFFFAOYSA-N 1 0 333.476 2.955 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)COCc1ccccc1Cl ZINC000818996578 1276566167 /nfs/dbraw/zinc/56/61/67/1276566167.db2.gz ISMISILWDYSISR-QGZVFWFLSA-N 1 0 347.842 2.942 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)COCc1ccccc1Cl ZINC000818996577 1276566339 /nfs/dbraw/zinc/56/63/39/1276566339.db2.gz ISMISILWDYSISR-KRWDZBQOSA-N 1 0 347.842 2.942 20 10 EFCDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000818997139 1276566732 /nfs/dbraw/zinc/56/67/32/1276566732.db2.gz SKTPSRPJTZAEMK-GOSISDBHSA-N 1 0 327.424 2.768 20 10 EFCDRO Cc1cccc(OC[C@H](O)C[NH2+]CCCSc2nccs2)c1 ZINC000819062154 1276612167 /nfs/dbraw/zinc/61/21/67/1276612167.db2.gz BVEBMGYOVLMINV-CQSZACIVSA-N 1 0 338.498 2.963 20 10 EFCDRO Cc1cccc(OC[C@@H](O)C[NH2+]CCCSc2nccs2)c1 ZINC000819062147 1276612518 /nfs/dbraw/zinc/61/25/18/1276612518.db2.gz BVEBMGYOVLMINV-AWEZNQCLSA-N 1 0 338.498 2.963 20 10 EFCDRO C[N@H+](C[C@H](O)CNc1ccccc1OC[C@@H]1CCCCO1)C1CC1 ZINC000819425569 1276781925 /nfs/dbraw/zinc/78/19/25/1276781925.db2.gz DGEOCEAVDZMRPL-SJORKVTESA-N 1 0 334.460 2.502 20 10 EFCDRO Oc1cc2c(cc1C[NH+]1CCC(CC(F)(F)F)CC1)[C@H](O)CO2 ZINC000789526235 1276783370 /nfs/dbraw/zinc/78/33/70/1276783370.db2.gz ACXZISVTGHQOFG-CQSZACIVSA-N 1 0 331.334 2.982 20 10 EFCDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583474 1276824495 /nfs/dbraw/zinc/82/44/95/1276824495.db2.gz WVVBDOSHLIXDCE-VQIMIIECSA-N 1 0 345.487 2.512 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@@H]1C1CCOCC1)OCO2 ZINC000819902510 1276941207 /nfs/dbraw/zinc/94/12/07/1276941207.db2.gz DVPPCMDMPDAQSM-SFHVURJKSA-N 1 0 331.412 2.902 20 10 EFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](C)N(C)C[C@@H]3C)cc2)CC1 ZINC000828597546 1287254184 /nfs/dbraw/zinc/25/41/84/1287254184.db2.gz HRZJJRJARUNEDJ-SJORKVTESA-N 1 0 331.504 2.826 20 10 EFCDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820385337 1277139481 /nfs/dbraw/zinc/13/94/81/1277139481.db2.gz IYNLXXGBIULNAY-ZDUSSCGKSA-N 1 0 331.420 2.653 20 10 EFCDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820489771 1277195690 /nfs/dbraw/zinc/19/56/90/1277195690.db2.gz ASHADFIISQDMND-AWEZNQCLSA-N 1 0 343.431 2.653 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[N@H+](C)CCc2ccccc2)c1 ZINC000821064531 1277425031 /nfs/dbraw/zinc/42/50/31/1277425031.db2.gz CPDUWIZNZNUTRQ-OAHLLOKOSA-N 1 0 342.439 2.753 20 10 EFCDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@@H](O)COc1ccccc1Cl ZINC000923286395 1277494633 /nfs/dbraw/zinc/49/46/33/1277494633.db2.gz JJGPFRDUOFSMHF-MRXNPFEDSA-N 1 0 346.858 2.991 20 10 EFCDRO Cc1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)ccc1N(C)C ZINC000815080482 1287302988 /nfs/dbraw/zinc/30/29/88/1287302988.db2.gz CFUJLQSMOAVJKA-AZUAARDMSA-N 1 0 342.487 2.883 20 10 EFCDRO CC(C)[NH+]1CCC(O)(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000790977310 1277909360 /nfs/dbraw/zinc/90/93/60/1277909360.db2.gz WZAANYQDSMWYMC-UHFFFAOYSA-N 1 0 330.831 2.510 20 10 EFCDRO CCN(C)c1ccc(C[N@@H+]2[C@@H]3C[C@@H](C(=O)OC)O[C@H]3CC[C@H]2C)cc1 ZINC000815112417 1287310673 /nfs/dbraw/zinc/31/06/73/1287310673.db2.gz QCXNMPKLGIAIHW-OAOYMFHYSA-N 1 0 346.471 2.826 20 10 EFCDRO CC1CC[NH+](CCNC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000746983137 1277962651 /nfs/dbraw/zinc/96/26/51/1277962651.db2.gz SLBDRUHEFALMFU-UHFFFAOYSA-N 1 0 344.503 2.600 20 10 EFCDRO CCN(C)c1ccc(C[NH2+][C@@H](C(N)=O)[C@H](C)c2ccccc2)cc1 ZINC000815121848 1287315334 /nfs/dbraw/zinc/31/53/34/1287315334.db2.gz YVFIPJHTYUPVEP-DNVCBOLYSA-N 1 0 325.456 2.890 20 10 EFCDRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CCc1ccc(O)c(O)c1 ZINC001170407764 1279090649 /nfs/dbraw/zinc/09/06/49/1279090649.db2.gz OIKIXPCQAWBUKP-HNNXBMFYSA-N 1 0 329.396 2.980 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3cnc4ccccc4n3)cc2)CC1 ZINC000792694876 1279124528 /nfs/dbraw/zinc/12/45/28/1279124528.db2.gz KBZHDEACHCOZTQ-UHFFFAOYSA-N 1 0 333.439 2.994 20 10 EFCDRO CC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001134872394 1287327310 /nfs/dbraw/zinc/32/73/10/1287327310.db2.gz KGYVXIYJECKVJW-FHFZEBMASA-N 1 0 349.475 2.942 20 10 EFCDRO CC(=O)NC1CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792800688 1279161905 /nfs/dbraw/zinc/16/19/05/1279161905.db2.gz ZGQMSQOQRLXSRN-UHFFFAOYSA-N 1 0 343.393 2.872 20 10 EFCDRO COc1ccc(CNC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(O)c1 ZINC000792827985 1279187507 /nfs/dbraw/zinc/18/75/07/1279187507.db2.gz FSOCSWCHYLOKDQ-GJZGRUSLSA-N 1 0 349.475 2.568 20 10 EFCDRO COc1ccc(CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c(O)c1 ZINC000792832502 1279190599 /nfs/dbraw/zinc/19/05/99/1279190599.db2.gz SUXKQONEDHWAJI-OAHLLOKOSA-N 1 0 349.475 2.712 20 10 EFCDRO COc1ccc(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c(O)c1 ZINC000792842813 1279211506 /nfs/dbraw/zinc/21/15/06/1279211506.db2.gz UOSKVDXXGCMBNQ-AWEZNQCLSA-N 1 0 349.475 2.711 20 10 EFCDRO CCn1cnnc1CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792882259 1279233177 /nfs/dbraw/zinc/23/31/77/1279233177.db2.gz QAWBVWIKWPSALQ-UHFFFAOYSA-N 1 0 341.381 2.715 20 10 EFCDRO CC(C)COC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792930143 1279283831 /nfs/dbraw/zinc/28/38/31/1279283831.db2.gz IMVLUYAMBJJLMQ-HNNXBMFYSA-N 1 0 348.409 2.895 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CCCn2cncn2)c(C(F)(F)F)c1 ZINC000792959404 1279306365 /nfs/dbraw/zinc/30/63/65/1279306365.db2.gz FBTLJVZGVZBQTD-UHFFFAOYSA-N 1 0 327.354 2.543 20 10 EFCDRO C[C@H](CNC(=O)NCc1cc(Cl)ccc1O)[N@@H+]1CCC[C@H](C)C1 ZINC000844879929 1279313804 /nfs/dbraw/zinc/31/38/04/1279313804.db2.gz NPCIOVZGQHVNTM-QWHCGFSZSA-N 1 0 339.867 2.965 20 10 EFCDRO C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)C[NH+]1CCCC1 ZINC000844898463 1279323053 /nfs/dbraw/zinc/32/30/53/1279323053.db2.gz VSTZOTRVXMLIDO-LBPRGKRZSA-N 1 0 325.840 2.577 20 10 EFCDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)C1 ZINC000844901891 1279324999 /nfs/dbraw/zinc/32/49/99/1279324999.db2.gz IELBGFCHKBORAF-XFJVYGCCSA-N 1 0 342.842 2.903 20 10 EFCDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793029576 1279350055 /nfs/dbraw/zinc/35/00/55/1279350055.db2.gz XBYIRQXCDWCROO-DZGCQCFKSA-N 1 0 343.393 2.776 20 10 EFCDRO C[C@@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H](C(N)=O)C1 ZINC000793091756 1279366123 /nfs/dbraw/zinc/36/61/23/1279366123.db2.gz FQVDXDZKRSIVMY-ABAIWWIYSA-N 1 0 343.393 2.857 20 10 EFCDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845023366 1279400956 /nfs/dbraw/zinc/40/09/56/1279400956.db2.gz UBAGRUVWMJQYCM-KGLIPLIRSA-N 1 0 325.840 2.718 20 10 EFCDRO O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000845151966 1279465365 /nfs/dbraw/zinc/46/53/65/1279465365.db2.gz IHABUORFSLNHDJ-OAHLLOKOSA-N 1 0 337.851 2.862 20 10 EFCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000793207968 1279467479 /nfs/dbraw/zinc/46/74/79/1279467479.db2.gz VPCFPLMIJIWRBK-UHFFFAOYSA-N 1 0 337.466 2.766 20 10 EFCDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000815150714 1287350461 /nfs/dbraw/zinc/35/04/61/1287350461.db2.gz MBDYWQBQGJZZOJ-LJQANCHMSA-N 1 0 332.488 2.802 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@@H](CO)CC2CCC2)c1O ZINC000793324464 1279548912 /nfs/dbraw/zinc/54/89/12/1279548912.db2.gz ZWIXEELYLQQIFN-CYBMUJFWSA-N 1 0 344.249 2.804 20 10 EFCDRO Cc1cc(N(C)C)nc(NCc2cc(Br)ccc2O)[nH+]1 ZINC001171174409 1279555180 /nfs/dbraw/zinc/55/51/80/1279555180.db2.gz SJKUYPULZZVYTE-UHFFFAOYSA-N 1 0 337.221 2.931 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)c(O)c1 ZINC000793388467 1279614450 /nfs/dbraw/zinc/61/44/50/1279614450.db2.gz OOCFJQQENMVMBQ-UHFFFAOYSA-N 1 0 326.396 2.600 20 10 EFCDRO CC[C@H]1C[C@@H](C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)CCO1 ZINC001170432373 1279670352 /nfs/dbraw/zinc/67/03/52/1279670352.db2.gz SHELWVGHJLBTEJ-ROUUACIJSA-N 1 0 348.487 2.805 20 10 EFCDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n(C)n1 ZINC000793524734 1279716624 /nfs/dbraw/zinc/71/66/24/1279716624.db2.gz HPKXVWWNEQWXAT-JKSUJKDBSA-N 1 0 328.460 2.977 20 10 EFCDRO Fc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)ccc1N1CCOCC1 ZINC000793608976 1279755394 /nfs/dbraw/zinc/75/53/94/1279755394.db2.gz MFHQGICPIDBYRR-RTBURBONSA-N 1 0 334.435 2.806 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1F ZINC000793591853 1279761968 /nfs/dbraw/zinc/76/19/68/1279761968.db2.gz RVFKNPKDCICQFC-HZPDHXFCSA-N 1 0 337.483 2.559 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1F ZINC000793591851 1279762171 /nfs/dbraw/zinc/76/21/71/1279762171.db2.gz RVFKNPKDCICQFC-CVEARBPZSA-N 1 0 337.483 2.559 20 10 EFCDRO COC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2c(O)cc(O)cc2O)cc1 ZINC001144520383 1279762618 /nfs/dbraw/zinc/76/26/18/1279762618.db2.gz NUPCELKKOBFWCF-MRXNPFEDSA-N 1 0 343.379 2.927 20 10 EFCDRO CC(C)c1noc([C@@H]2CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)n1 ZINC001144514677 1279774028 /nfs/dbraw/zinc/77/40/28/1279774028.db2.gz ONRJKZGVAFSXNC-LLVKDONJSA-N 1 0 333.388 2.689 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c(O)c1 ZINC001144515367 1279778167 /nfs/dbraw/zinc/77/81/67/1279778167.db2.gz LMYMCHZDYRNVRG-TXEJJXNPSA-N 1 0 349.390 2.833 20 10 EFCDRO COC(=O)c1cccc([C@@H]2CCC[N@@H+]2Cc2c(O)cc(O)cc2O)c1 ZINC001144516223 1279779373 /nfs/dbraw/zinc/77/93/73/1279779373.db2.gz UJEXNEKXBLOFAL-INIZCTEOSA-N 1 0 343.379 2.927 20 10 EFCDRO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)c1 ZINC001144516447 1279779587 /nfs/dbraw/zinc/77/95/87/1279779587.db2.gz YNVUVVOMFJYBDH-AWEZNQCLSA-N 1 0 330.384 2.550 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2C(=O)N(C)C)c1 ZINC000845971440 1279947965 /nfs/dbraw/zinc/94/79/65/1279947965.db2.gz KJNKJUPVCYROFZ-ZDUSSCGKSA-N 1 0 328.412 2.953 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(Br)nn2C)c1 ZINC000845970948 1279948424 /nfs/dbraw/zinc/94/84/24/1279948424.db2.gz GCDFUWXVIMJEDN-VIFPVBQESA-N 1 0 340.221 2.748 20 10 EFCDRO COC(=O)COc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000845971377 1279948508 /nfs/dbraw/zinc/94/85/08/1279948508.db2.gz JHFCRVLZHLYBOF-CYBMUJFWSA-N 1 0 345.395 2.803 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)ccc1N1CCCCC1 ZINC000846047877 1280000279 /nfs/dbraw/zinc/00/02/79/1280000279.db2.gz STBYAQMDAAAIFP-RKVPGOIHSA-N 1 0 331.416 2.995 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)cc1F ZINC000846075349 1280006446 /nfs/dbraw/zinc/00/64/46/1280006446.db2.gz OERPJVRRSHRNOZ-OAHLLOKOSA-N 1 0 333.451 2.772 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2=O)c1O ZINC000846148513 1280037263 /nfs/dbraw/zinc/03/72/63/1280037263.db2.gz FUCJOIDZZOAKNN-CZUORRHYSA-N 1 0 326.396 2.857 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)c1O ZINC000846152309 1280039229 /nfs/dbraw/zinc/03/92/29/1280039229.db2.gz ABHBGBSVSPMHHE-CZUORRHYSA-N 1 0 332.444 2.985 20 10 EFCDRO C[C@H](NC(=O)NCc1ccc(C[NH3+])cc1F)c1ccc(N(C)C)cc1 ZINC000846160266 1280043401 /nfs/dbraw/zinc/04/34/01/1280043401.db2.gz NOFYRLLXDXHONN-ZDUSSCGKSA-N 1 0 344.434 2.911 20 10 EFCDRO COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846162087 1280043533 /nfs/dbraw/zinc/04/35/33/1280043533.db2.gz AIAWAHGJJKNHHM-STQMWFEESA-N 1 0 336.432 2.918 20 10 EFCDRO [NH3+]CCC1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000846138384 1280049615 /nfs/dbraw/zinc/04/96/15/1280049615.db2.gz QWEHIBLLXCOXED-UHFFFAOYSA-N 1 0 330.476 2.557 20 10 EFCDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846139618 1280049844 /nfs/dbraw/zinc/04/98/44/1280049844.db2.gz YAJBPDACBDMALZ-BLLLJJGKSA-N 1 0 347.411 2.802 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)c1O ZINC000846142816 1280050754 /nfs/dbraw/zinc/05/07/54/1280050754.db2.gz BJCJGLOGLOMFSL-CYBMUJFWSA-N 1 0 344.411 2.577 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)c1O ZINC000846142560 1280051323 /nfs/dbraw/zinc/05/13/23/1280051323.db2.gz VKRQRRAXYJPCLF-KGLIPLIRSA-N 1 0 328.412 2.756 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c1O ZINC000846145511 1280051696 /nfs/dbraw/zinc/05/16/96/1280051696.db2.gz OELFYEURQFJCCZ-ZBFHGGJFSA-N 1 0 334.460 2.695 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)COc2cccc(C)c2)c1O ZINC000846143135 1280052219 /nfs/dbraw/zinc/05/22/19/1280052219.db2.gz HZPUTTIQBQURSA-CABCVRRESA-N 1 0 331.412 2.800 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(OCCO)c(OC)c2)c1O ZINC000846144884 1280052353 /nfs/dbraw/zinc/05/23/53/1280052353.db2.gz NVYJJIWRZFPYLR-ZDUSSCGKSA-N 1 0 347.411 2.631 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)c1O ZINC000846146654 1280053259 /nfs/dbraw/zinc/05/32/59/1280053259.db2.gz SUAQHFYWRARMEW-KBPBESRZSA-N 1 0 326.396 2.857 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)c1O ZINC000846146995 1280053511 /nfs/dbraw/zinc/05/35/11/1280053511.db2.gz ULRVHJNTGLUERK-CYBMUJFWSA-N 1 0 335.425 2.525 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c1O ZINC000846147719 1280053588 /nfs/dbraw/zinc/05/35/88/1280053588.db2.gz XXYDAHBDFBELIN-ZDUSSCGKSA-N 1 0 349.452 2.796 20 10 EFCDRO C[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000846205355 1280054609 /nfs/dbraw/zinc/05/46/09/1280054609.db2.gz GEOBSVCFADZUAV-UONOGXRCSA-N 1 0 328.456 2.933 20 10 EFCDRO COc1ccc(N(C)CCN(C)C(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000846314504 1280112203 /nfs/dbraw/zinc/11/22/03/1280112203.db2.gz SIZWUXRBBNMMJD-UHFFFAOYSA-N 1 0 342.443 2.754 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc(F)ccc2F)cc1C ZINC001129496926 1280227574 /nfs/dbraw/zinc/22/75/74/1280227574.db2.gz QMDMGUPVLBCXPC-UHFFFAOYSA-N 1 0 334.366 2.801 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc3ccccc3n2C)cc1 ZINC000846663857 1280380850 /nfs/dbraw/zinc/38/08/50/1280380850.db2.gz PXELOIMFDUHDRS-KRWDZBQOSA-N 1 0 336.439 2.674 20 10 EFCDRO Cc1ccc2cc(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)[nH]c2c1 ZINC000846663157 1280407560 /nfs/dbraw/zinc/40/75/60/1280407560.db2.gz DRLVXTBNVQJACB-QGZVFWFLSA-N 1 0 336.439 2.972 20 10 EFCDRO Cc1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(C)n1-c1ccccn1 ZINC000846690491 1280416082 /nfs/dbraw/zinc/41/60/82/1280416082.db2.gz QVFRQBAXLKXFFQ-JXFKEZNVSA-N 1 0 338.455 2.690 20 10 EFCDRO COc1ccc(N(C)CCN(C)C(=O)c2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000846696756 1280429155 /nfs/dbraw/zinc/42/91/55/1280429155.db2.gz HNMUIXFYZHNJFE-OAHLLOKOSA-N 1 0 341.455 2.923 20 10 EFCDRO C[C@H]1C[C@@H]([NH3+])CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000846703147 1280433004 /nfs/dbraw/zinc/43/30/04/1280433004.db2.gz LSDQJPBHVHYRQI-HOCLYGCPSA-N 1 0 332.448 2.897 20 10 EFCDRO Cc1ccc2c(c1)N[C@@H](c1ccc(N3CC[NH+](C)CC3)cc1)NC2=O ZINC000846759054 1280454922 /nfs/dbraw/zinc/45/49/22/1280454922.db2.gz GYRZBCJXPJEXQF-LJQANCHMSA-N 1 0 336.439 2.601 20 10 EFCDRO Cn1cncc1CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000846823871 1280518964 /nfs/dbraw/zinc/51/89/64/1280518964.db2.gz BDAINUYGODCPBC-GOSISDBHSA-N 1 0 329.444 2.740 20 10 EFCDRO CC[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cc(Cl)ccc1O ZINC000806174337 1280987196 /nfs/dbraw/zinc/98/71/96/1280987196.db2.gz VQNROCZNVOBYTR-BXUZGUMPSA-N 1 0 331.865 2.911 20 10 EFCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCCSc1nccs1 ZINC000806958311 1281181624 /nfs/dbraw/zinc/18/16/24/1281181624.db2.gz GAFCEIOURMPHGT-ZDUSSCGKSA-N 1 0 342.534 2.799 20 10 EFCDRO COc1ccc(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)c(F)c1 ZINC001130921814 1281286387 /nfs/dbraw/zinc/28/63/87/1281286387.db2.gz ARYZVAPYPBHEJB-UHFFFAOYSA-N 1 0 346.402 2.671 20 10 EFCDRO C[NH+]1CCC(Oc2ccc(CNC(=O)C3=CC(=O)CS3)cc2)CC1 ZINC000807547214 1281346077 /nfs/dbraw/zinc/34/60/77/1281346077.db2.gz ARCKOBUZKNBAKQ-UHFFFAOYSA-N 1 0 346.452 2.857 20 10 EFCDRO O=C([C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1)N1CCCC1 ZINC000808209040 1281603827 /nfs/dbraw/zinc/60/38/27/1281603827.db2.gz SHKHBTMOQSEFHP-QGZVFWFLSA-N 1 0 328.456 2.715 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cnc(C3CC3)s2)cc1C ZINC001148612405 1281653030 /nfs/dbraw/zinc/65/30/30/1281653030.db2.gz HAXYPEFJLJDAQZ-UHFFFAOYSA-N 1 0 345.468 2.857 20 10 EFCDRO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000872278966 1287518425 /nfs/dbraw/zinc/51/84/25/1287518425.db2.gz ABMJPMYNTJDKEX-ZWKOTPCHSA-N 1 0 347.528 2.764 20 10 EFCDRO CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)c1O ZINC000808445772 1281715778 /nfs/dbraw/zinc/71/57/78/1281715778.db2.gz ZIBSBODARFCPIH-BRWVUGGUSA-N 1 0 332.444 2.528 20 10 EFCDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC000808432456 1281726467 /nfs/dbraw/zinc/72/64/67/1281726467.db2.gz NINMVNXJHAKPGZ-HNNXBMFYSA-N 1 0 327.428 2.778 20 10 EFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCS(=O)(=O)CC2CC2)c1O ZINC000808706461 1281866495 /nfs/dbraw/zinc/86/64/95/1281866495.db2.gz KQDGFONFELIGKR-NSHDSACASA-N 1 0 331.865 2.829 20 10 EFCDRO COc1ccc(N2CCC[N@H+](Cc3cncc(OC)c3)CC2)cc1 ZINC000808711403 1281868082 /nfs/dbraw/zinc/86/80/82/1281868082.db2.gz FVHQFXTYWJMEMZ-UHFFFAOYSA-N 1 0 327.428 2.811 20 10 EFCDRO CC[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)C(=O)N1CCOCC1 ZINC000808700382 1281879068 /nfs/dbraw/zinc/87/90/68/1281879068.db2.gz FONGEBUAUPVAPS-WFASDCNBSA-N 1 0 340.851 2.642 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2c(C)noc2C2CC2)cc1C ZINC001131438837 1281881521 /nfs/dbraw/zinc/88/15/21/1281881521.db2.gz JLKWUOKLPMXZJI-UHFFFAOYSA-N 1 0 343.427 2.697 20 10 EFCDRO CCc1onc(C)c1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001175781286 1287550769 /nfs/dbraw/zinc/55/07/69/1287550769.db2.gz ILVAJSJDCNOBEP-UHFFFAOYSA-N 1 0 345.443 2.772 20 10 EFCDRO CN1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)CCN3Cc2ccccc2)C1=O ZINC000809580287 1282294426 /nfs/dbraw/zinc/29/44/26/1282294426.db2.gz MJNQKKOGWYALSJ-OAQYLSRUSA-N 1 0 349.478 2.912 20 10 EFCDRO C[C@@H](O)c1ncc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000809611271 1282315989 /nfs/dbraw/zinc/31/59/89/1282315989.db2.gz XUZMNKZDXCZMID-ZIAGYGMSSA-N 1 0 347.484 2.884 20 10 EFCDRO C[N@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@@H]1CCNC1=O ZINC000809596250 1282331073 /nfs/dbraw/zinc/33/10/73/1282331073.db2.gz XOEQIQYVYBXCDC-HXUWFJFHSA-N 1 0 335.451 2.570 20 10 EFCDRO C[N@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@H]1CCNC1=O ZINC000809596249 1282332515 /nfs/dbraw/zinc/33/25/15/1282332515.db2.gz XOEQIQYVYBXCDC-FQEVSTJZSA-N 1 0 335.451 2.570 20 10 EFCDRO CC[C@H]([NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccccc1O ZINC000809701386 1282388694 /nfs/dbraw/zinc/38/86/94/1282388694.db2.gz FGZPCZTXVSMECK-VNQPRFMTSA-N 1 0 340.489 2.541 20 10 EFCDRO CCCN(CC[NH+]1CCCC1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809700751 1282389568 /nfs/dbraw/zinc/38/95/68/1282389568.db2.gz NKWJFSSDHDKAIV-UHFFFAOYSA-N 1 0 349.494 2.970 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)cc1 ZINC000809700943 1282390491 /nfs/dbraw/zinc/39/04/91/1282390491.db2.gz RPXXTYQPIIYAET-XLIONFOSSA-N 1 0 331.504 2.828 20 10 EFCDRO CCOc1ccc(O)c(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1 ZINC000809735199 1282414633 /nfs/dbraw/zinc/41/46/33/1282414633.db2.gz UUZTXFSAGYDWDJ-UHFFFAOYSA-N 1 0 331.372 2.664 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@H]2COC(=O)N(C)C)c1 ZINC000809710506 1282421246 /nfs/dbraw/zinc/42/12/46/1282421246.db2.gz ZEXZKHUJIYVVRN-HNNXBMFYSA-N 1 0 336.432 2.844 20 10 EFCDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2cccc(C)c2O)s1 ZINC000809721299 1282427596 /nfs/dbraw/zinc/42/75/96/1282427596.db2.gz PFIUMHTXNCFEGO-VXGBXAGGSA-N 1 0 348.472 2.867 20 10 EFCDRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000809739651 1282437802 /nfs/dbraw/zinc/43/78/02/1282437802.db2.gz AKPYNAOXDFPHPD-QWHCGFSZSA-N 1 0 343.370 2.858 20 10 EFCDRO COc1cc(Cl)cc(CN(CC[NH+](C)C)C[C@H]2CCCO2)c1O ZINC000809738069 1282437884 /nfs/dbraw/zinc/43/78/84/1282437884.db2.gz RBTHHJOAWJJCCS-OAHLLOKOSA-N 1 0 342.867 2.597 20 10 EFCDRO COc1cc(Br)cc(CN(C)CC[N@H+](C)C2CC2)c1O ZINC000809755104 1282457024 /nfs/dbraw/zinc/45/70/24/1282457024.db2.gz PMIDFZJXJUJDNJ-UHFFFAOYSA-N 1 0 343.265 2.689 20 10 EFCDRO CN(c1ccc(N)cc1)c1ccc(C(=O)NCCC[NH+](C)C)cc1 ZINC001175825278 1287573099 /nfs/dbraw/zinc/57/30/99/1287573099.db2.gz FHEJMSDLUJJLOG-UHFFFAOYSA-N 1 0 326.444 2.718 20 10 EFCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)c(O)c1 ZINC000815564602 1287597220 /nfs/dbraw/zinc/59/72/20/1287597220.db2.gz NMTJEAYOAXAATA-GDBMZVCRSA-N 1 0 329.444 2.926 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815577442 1287608407 /nfs/dbraw/zinc/60/84/07/1287608407.db2.gz QCSYGUDBPWTWCI-QWHCGFSZSA-N 1 0 345.409 2.698 20 10 EFCDRO C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815577443 1287608992 /nfs/dbraw/zinc/60/89/92/1287608992.db2.gz QCSYGUDBPWTWCI-STQMWFEESA-N 1 0 345.409 2.698 20 10 EFCDRO CC[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(C(F)(F)F)cc1O ZINC000810217978 1283042712 /nfs/dbraw/zinc/04/27/12/1283042712.db2.gz NHOAQPUMEPJJMR-HIFRSBDPSA-N 1 0 345.409 2.698 20 10 EFCDRO CC[C@H]([NH2+]C1CN(C(=O)OC)C1)c1ccc(C(F)(F)F)cc1O ZINC000810228010 1283056669 /nfs/dbraw/zinc/05/66/69/1283056669.db2.gz PCKOFLGNOMWHOR-LBPRGKRZSA-N 1 0 332.322 2.902 20 10 EFCDRO CC[C@H]([NH2+]CCNC(=O)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810208579 1283072204 /nfs/dbraw/zinc/07/22/04/1283072204.db2.gz WNGGZVPNILKVGX-ZDUSSCGKSA-N 1 0 330.350 2.978 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCc3nnc(C)s3)CC2)cc1 ZINC000810243244 1283098143 /nfs/dbraw/zinc/09/81/43/1283098143.db2.gz NBOSAHPEOWYAHG-UHFFFAOYSA-N 1 0 332.473 2.656 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815594503 1287619495 /nfs/dbraw/zinc/61/94/95/1287619495.db2.gz QHKODEBXNWAQTR-YGRLFVJLSA-N 1 0 333.350 2.849 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815595560 1287620894 /nfs/dbraw/zinc/62/08/94/1287620894.db2.gz VIBNRAXZLOXMPF-NXEZZACHSA-N 1 0 328.334 2.825 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2csnn2)cc1C ZINC001135106726 1287629693 /nfs/dbraw/zinc/62/96/93/1287629693.db2.gz QFNKYUVXWDJPQR-OLZOCXBDSA-N 1 0 348.472 2.542 20 10 EFCDRO CCOCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001132613455 1284009047 /nfs/dbraw/zinc/00/90/47/1284009047.db2.gz HBWPMLSKFYMOMV-YJBOKZPZSA-N 1 0 348.487 2.614 20 10 EFCDRO [O-]c1c(F)cc(Br)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000715793458 1284332035 /nfs/dbraw/zinc/33/20/35/1284332035.db2.gz VVCXXJZHWYWDSL-UHFFFAOYSA-N 1 0 331.229 2.869 20 10 EFCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1 ZINC000811786015 1284649447 /nfs/dbraw/zinc/64/94/47/1284649447.db2.gz LSTUOBNDLLDXIQ-ZDUSSCGKSA-N 1 0 344.377 2.900 20 10 EFCDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000811953673 1284748171 /nfs/dbraw/zinc/74/81/71/1284748171.db2.gz HYGOKEGZMYXSMZ-CQSZACIVSA-N 1 0 333.476 2.799 20 10 EFCDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000811930834 1284756150 /nfs/dbraw/zinc/75/61/50/1284756150.db2.gz HYGOKEGZMYXSMZ-AWEZNQCLSA-N 1 0 333.476 2.799 20 10 EFCDRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000811979602 1284768209 /nfs/dbraw/zinc/76/82/09/1284768209.db2.gz UCVXLZKJASVWDV-AWEZNQCLSA-N 1 0 338.471 2.811 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H](C)C(F)(F)F)cc1C ZINC001133235126 1285028604 /nfs/dbraw/zinc/02/86/04/1285028604.db2.gz RRYVZEZMHIWTBJ-GFCCVEGCSA-N 1 0 332.366 2.798 20 10 EFCDRO CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)CC[C@H]21 ZINC001036905343 1285401385 /nfs/dbraw/zinc/40/13/85/1285401385.db2.gz IEUYGCIKZYITIB-GDBMZVCRSA-N 1 0 343.431 2.795 20 10 EFCDRO COCCOCc1ccc(C[NH2+]Cc2c(O)cccc2OC)cc1 ZINC000812773538 1285407825 /nfs/dbraw/zinc/40/78/25/1285407825.db2.gz ZNOMATDMLWBSDH-UHFFFAOYSA-N 1 0 331.412 2.854 20 10 EFCDRO COc1ccc(O)c(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1 ZINC000812778011 1285412539 /nfs/dbraw/zinc/41/25/39/1285412539.db2.gz DYOWBAPSRZXOQX-QGZVFWFLSA-N 1 0 328.412 2.580 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)cc1F ZINC000812782674 1285415644 /nfs/dbraw/zinc/41/56/44/1285415644.db2.gz CQPUZUADBJDKJK-AWEZNQCLSA-N 1 0 345.393 2.926 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCC(=O)NC(C)(C)C)CC2)cc1 ZINC000812830446 1285458638 /nfs/dbraw/zinc/45/86/38/1285458638.db2.gz AWMKDJMMQSDUCH-UHFFFAOYSA-N 1 0 333.476 2.558 20 10 EFCDRO COC(=O)C1(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CCCC1 ZINC000812837282 1285465921 /nfs/dbraw/zinc/46/59/21/1285465921.db2.gz BQONCMRNMOXGTN-UHFFFAOYSA-N 1 0 346.471 2.987 20 10 EFCDRO CCc1nnc([C@@H](C)[NH2+]C2CCN(c3ccc(OC)cc3)CC2)[nH]1 ZINC000812841908 1285468900 /nfs/dbraw/zinc/46/89/00/1285468900.db2.gz WUFMDEUJPWUUEV-CYBMUJFWSA-N 1 0 329.448 2.695 20 10 EFCDRO O=C(C[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)c1ccc(O)c(O)c1 ZINC001171464033 1285559303 /nfs/dbraw/zinc/55/93/03/1285559303.db2.gz ZQFNRHZGRMLOOB-CYBMUJFWSA-N 1 0 333.334 2.706 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2cc(C)on2)cc1C ZINC001133602123 1285645473 /nfs/dbraw/zinc/64/54/73/1285645473.db2.gz BTMPINIQQYKIJT-ZIAGYGMSSA-N 1 0 345.443 2.987 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(O)c(O)c2)CN1Cc1ccccc1 ZINC001171728215 1285745685 /nfs/dbraw/zinc/74/56/85/1285745685.db2.gz LMVLJFLUUAXTMS-QAPCUYQASA-N 1 0 326.440 2.893 20 10 EFCDRO COCCN(C)c1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cn1 ZINC000813330687 1285813640 /nfs/dbraw/zinc/81/36/40/1285813640.db2.gz CVGXQYOVOQCJET-CQSZACIVSA-N 1 0 345.443 2.729 20 10 EFCDRO O=C(c1ccccc1)N1CCC[C@H]([NH2+]Cc2ccc(O)cc2O)CC1 ZINC001171871174 1285832029 /nfs/dbraw/zinc/83/20/29/1285832029.db2.gz JCBKFTKDPTXRQO-KRWDZBQOSA-N 1 0 340.423 2.882 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172190830 1286036492 /nfs/dbraw/zinc/03/64/92/1286036492.db2.gz SHHDEKSWICCHTL-MOPGFXCFSA-N 1 0 327.472 2.872 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)COC(C)C)cc1C ZINC001133896351 1286076039 /nfs/dbraw/zinc/07/60/39/1286076039.db2.gz IQJCGHJNQXVUSL-JKSUJKDBSA-N 1 0 336.476 2.802 20 10 EFCDRO C[C@H](CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000813787523 1286116632 /nfs/dbraw/zinc/11/66/32/1286116632.db2.gz ZMNXZURRXVMJCN-OAHLLOKOSA-N 1 0 334.464 2.872 20 10 EFCDRO CCOCC[C@H](C)[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001172408151 1286125959 /nfs/dbraw/zinc/12/59/59/1286125959.db2.gz FSKCFXUKNVZDEO-SFHVURJKSA-N 1 0 349.519 2.612 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(=O)C(C)(C)C)cc1C ZINC001133932783 1286136784 /nfs/dbraw/zinc/13/67/84/1286136784.db2.gz PLYHYBIEROTTGS-GJZGRUSLSA-N 1 0 348.487 2.992 20 10 EFCDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC001172605640 1286199887 /nfs/dbraw/zinc/19/98/87/1286199887.db2.gz ZMXBMGJABNIJDE-ZWNOBZJWSA-N 1 0 342.233 2.976 20 10 EFCDRO COC(=O)[C@H]1CCC[C@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC001172780113 1286277949 /nfs/dbraw/zinc/27/79/49/1286277949.db2.gz CVJVFWLDXKDOJX-IRXDYDNUSA-N 1 0 346.471 2.939 20 10 EFCDRO CCOc1cccc(C[NH2+]Cc2cc(C)nc(N3CCCC3)n2)c1O ZINC000814178546 1286360571 /nfs/dbraw/zinc/36/05/71/1286360571.db2.gz UUWFMLFRWGIIPP-UHFFFAOYSA-N 1 0 342.443 2.779 20 10 EFCDRO Fc1cc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)ccc1N1CCOCC1 ZINC000814178571 1286362202 /nfs/dbraw/zinc/36/22/02/1286362202.db2.gz VROQXJOPNPXGLP-GOSISDBHSA-N 1 0 348.462 2.911 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@@H]3CCC[C@@H](OC)C3)CC2)c(OC)c1 ZINC001172949126 1286368331 /nfs/dbraw/zinc/36/83/31/1286368331.db2.gz IWIDERVCVKTWLQ-HZPDHXFCSA-N 1 0 334.460 2.783 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2coc(C)n2)cc1C ZINC001134173468 1286410491 /nfs/dbraw/zinc/41/04/91/1286410491.db2.gz TWZYFDZNULCQBV-ZIAGYGMSSA-N 1 0 345.443 2.987 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(F)c(OC)c2)cc1C ZINC001134177847 1286419309 /nfs/dbraw/zinc/41/93/09/1286419309.db2.gz DBOZJGALFNZMEZ-UHFFFAOYSA-N 1 0 346.402 2.671 20 10 EFCDRO CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001095065141 1286473878 /nfs/dbraw/zinc/47/38/78/1286473878.db2.gz WVRZVPWXDGAGNH-RCBQFDQVSA-N 1 0 343.431 2.842 20 10 EFCDRO CC(C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001095065068 1286474274 /nfs/dbraw/zinc/47/42/74/1286474274.db2.gz UPDCZZCHSFMOCK-MAZHCROVSA-N 1 0 343.431 2.840 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC2(O)CCC2)cc1C ZINC001134308581 1286549194 /nfs/dbraw/zinc/54/91/94/1286549194.db2.gz UUKSRPVKICAEEC-HZPDHXFCSA-N 1 0 348.487 2.682 20 10 EFCDRO COC(=O)CCCC[C@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001173445380 1286599917 /nfs/dbraw/zinc/59/99/17/1286599917.db2.gz GFHDQVSHGGUQDA-INIZCTEOSA-N 1 0 334.460 2.939 20 10 EFCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173766330 1286783722 /nfs/dbraw/zinc/78/37/22/1286783722.db2.gz GZONJSUNDQMTJL-ZWKOTPCHSA-N 1 0 328.464 2.745 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)CO[C@H]2CCC[C@@H](C)C2)cc1C ZINC001134622341 1286979164 /nfs/dbraw/zinc/97/91/64/1286979164.db2.gz IWTBTWCXXWJGJT-QAPCUYQASA-N 1 0 348.487 2.805 20 10 EFCDRO COC(=O)c1cc(Br)c(O)c(Nc2cc[nH+]c(C)c2)c1 ZINC001174657378 1287120876 /nfs/dbraw/zinc/12/08/76/1287120876.db2.gz UCIZDIBHJSCIIS-UHFFFAOYSA-N 1 0 337.173 2.810 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cncc(Cl)c2)cc1C ZINC001135291002 1287904473 /nfs/dbraw/zinc/90/44/73/1287904473.db2.gz BORNZWGDCIMSEF-UHFFFAOYSA-N 1 0 333.819 2.572 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(OC)c(C)c2)cc1C ZINC001135318117 1287947051 /nfs/dbraw/zinc/94/70/51/1287947051.db2.gz AKGCYSLRMHXGMZ-UHFFFAOYSA-N 1 0 342.439 2.840 20 10 EFCDRO C[C@H](CCCC[NH2+]CCF)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001176791960 1288115477 /nfs/dbraw/zinc/11/54/77/1288115477.db2.gz MPNYGJDRFYBFTN-GFCCVEGCSA-N 1 0 337.399 2.697 20 10 EFCDRO Cn1cccc1C(=O)N1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816483489 1288155167 /nfs/dbraw/zinc/15/51/67/1288155167.db2.gz URAWDKPETCCNNW-UHFFFAOYSA-N 1 0 349.434 2.842 20 10 EFCDRO Cn1c2ccc(C[NH2+]Cc3ccc4c(c3)CCCN4C)cc2oc1=O ZINC000816543231 1288197589 /nfs/dbraw/zinc/19/75/89/1288197589.db2.gz SCZSNBKWTVKREA-UHFFFAOYSA-N 1 0 337.423 2.804 20 10 EFCDRO CCS(=O)(=O)C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816593428 1288209015 /nfs/dbraw/zinc/20/90/15/1288209015.db2.gz RQMLMNMZOPGBQM-UHFFFAOYSA-N 1 0 333.453 2.945 20 10 EFCDRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816569283 1288212241 /nfs/dbraw/zinc/21/22/41/1288212241.db2.gz GCZXIERYRMPALO-MRXNPFEDSA-N 1 0 325.412 2.581 20 10 EFCDRO COc1cc(Br)cc(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1O ZINC000816654081 1288229724 /nfs/dbraw/zinc/22/97/24/1288229724.db2.gz STIBMOGOUZQUMN-PHIMTYICSA-N 1 0 343.265 2.688 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1 ZINC000816654007 1288229888 /nfs/dbraw/zinc/22/98/88/1288229888.db2.gz PZISGJPRVUFHFE-TXEJJXNPSA-N 1 0 327.266 2.988 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000816888957 1288304992 /nfs/dbraw/zinc/30/49/92/1288304992.db2.gz GJYJUXRZTVOUHJ-INIZCTEOSA-N 1 0 334.485 2.568 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NCCC[NH2+]CCCCCF)cc1 ZINC001177237517 1288342287 /nfs/dbraw/zinc/34/22/87/1288342287.db2.gz CBSZDEYZQCUMAY-UHFFFAOYSA-N 1 0 337.399 2.698 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817171595 1288448334 /nfs/dbraw/zinc/44/83/34/1288448334.db2.gz YLRPVNHSVLMLBZ-LPHOPBHVSA-N 1 0 346.519 2.728 20 10 EFCDRO CCC[C@@H]1C[C@H](C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)CCO1 ZINC001135850297 1288484822 /nfs/dbraw/zinc/48/48/22/1288484822.db2.gz MLCMPZPSYPSOKG-QZTJIDSGSA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CC[C@H](C(N)=O)CC3)CC2)cc1 ZINC000817410853 1288590601 /nfs/dbraw/zinc/59/06/01/1288590601.db2.gz IRBVZZUMPKLIKK-WKILWMFISA-N 1 0 345.487 2.545 20 10 EFCDRO CCOCc1cc(C[NH2+][C@@H](C)C2(OC)CCOCC2)ccc1OC ZINC000817419254 1288594094 /nfs/dbraw/zinc/59/40/94/1288594094.db2.gz FAGDLDKBGUWVIZ-HNNXBMFYSA-N 1 0 337.460 2.905 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001179691245 1289221024 /nfs/dbraw/zinc/22/10/24/1289221024.db2.gz DUXAJOZKFNLWQD-LKUPDRCFSA-N 1 0 344.455 2.882 20 10 EFCDRO COC1([C@@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCOCC1 ZINC000903447721 1312693387 /nfs/dbraw/zinc/69/33/87/1312693387.db2.gz BQUFDUJHOXNKOY-APWZRJJASA-N 1 0 349.519 2.529 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)c2ccccc2n1C ZINC001232402320 1312693849 /nfs/dbraw/zinc/69/38/49/1312693849.db2.gz LNOYFMQPJKJNRD-JLTOFOAXSA-N 1 0 344.455 2.948 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c2ccccc2n1C ZINC001232402820 1312693987 /nfs/dbraw/zinc/69/39/87/1312693987.db2.gz QGJNLAYSKFZTBK-HXUWFJFHSA-N 1 0 342.439 2.967 20 10 EFCDRO Cc1ncncc1[C@H](C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903447767 1312694311 /nfs/dbraw/zinc/69/43/11/1312694311.db2.gz CEWJQMADEKMNOR-IFXJQAMLSA-N 1 0 327.476 2.805 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c2ccccc2n1C ZINC001232402246 1312694487 /nfs/dbraw/zinc/69/44/87/1312694487.db2.gz JSMOULCTDPNNIL-RDTXWAMCSA-N 1 0 342.439 2.966 20 10 EFCDRO COC(=O)c1c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2n1C ZINC001232404031 1312694658 /nfs/dbraw/zinc/69/46/58/1312694658.db2.gz JMYYYIXBZMZOFY-CABCVRRESA-N 1 0 341.455 2.633 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@]23CCOC3)c2ccccc2n1C ZINC001232403631 1312695172 /nfs/dbraw/zinc/69/51/72/1312695172.db2.gz AEDIGLIBSPPNIU-LJQANCHMSA-N 1 0 328.412 2.720 20 10 EFCDRO CCO[C@@H]1CCC[N@H+](Cc2c3ccccc3n(C)c2C(=O)OC)C1 ZINC001232407824 1312695555 /nfs/dbraw/zinc/69/55/55/1312695555.db2.gz URVVUGNMRCYIBE-CQSZACIVSA-N 1 0 330.428 2.966 20 10 EFCDRO COC(=O)c1c(C[N@H+]2CCC[C@@H](OC)CC2)c2ccccc2n1C ZINC001232406047 1312695659 /nfs/dbraw/zinc/69/56/59/1312695659.db2.gz RNGRMANWHFFNFU-CQSZACIVSA-N 1 0 330.428 2.966 20 10 EFCDRO Cc1nccnc1[C@@H](C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903449346 1312695957 /nfs/dbraw/zinc/69/59/57/1312695957.db2.gz XQDQARLHFPLOFQ-CRAIPNDOSA-N 1 0 327.476 2.805 20 10 EFCDRO COC(=O)c1c(CN2CCC([NH+]3CCC3)CC2)c2ccccc2n1C ZINC001232410015 1312696257 /nfs/dbraw/zinc/69/62/57/1312696257.db2.gz GGWPAXVRORBJPV-UHFFFAOYSA-N 1 0 341.455 2.635 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCN(c3cccc(F)c3)CC2)cc1OC ZINC000872729758 1289343889 /nfs/dbraw/zinc/34/38/89/1289343889.db2.gz DETYAOGHAAPYIP-UHFFFAOYSA-N 1 0 346.402 2.871 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](Oc3ccc(F)cc3)C1)[C@@H](O)CO2 ZINC000872802262 1289391212 /nfs/dbraw/zinc/39/12/12/1289391212.db2.gz MJCCYRJSJPXZAW-YJBOKZPZSA-N 1 0 345.370 2.610 20 10 EFCDRO COc1cc(C[NH+]2CCC3(CNC(=O)O3)CC2)c(O)c(C(C)(C)C)c1 ZINC000825628722 1289391373 /nfs/dbraw/zinc/39/13/73/1289391373.db2.gz GFMKPQIVGBRNLU-UHFFFAOYSA-N 1 0 348.443 2.773 20 10 EFCDRO CC1(C)CC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000823851762 1289470562 /nfs/dbraw/zinc/47/05/62/1289470562.db2.gz ZXDXZIFHBYMBGJ-INIZCTEOSA-N 1 0 336.501 2.590 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)cn1 ZINC000873010159 1289515910 /nfs/dbraw/zinc/51/59/10/1289515910.db2.gz ARFPNTLVFQQFAM-UHFFFAOYSA-N 1 0 338.411 2.633 20 10 EFCDRO CCC[NH+]1CCC(NCc2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC000873009015 1289516109 /nfs/dbraw/zinc/51/61/09/1289516109.db2.gz FNIAMYMDHOHPMV-UHFFFAOYSA-N 1 0 342.487 2.904 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cn1cccn1 ZINC000873012463 1289519051 /nfs/dbraw/zinc/51/90/51/1289519051.db2.gz JCZBXJOSLZDCPW-KRWDZBQOSA-N 1 0 340.471 2.514 20 10 EFCDRO COc1ccc(C[NH2+]CCc2ccc(O)cc2)cc1Cn1cccn1 ZINC000873023941 1289526911 /nfs/dbraw/zinc/52/69/11/1289526911.db2.gz CCNPIPCSQLYTAS-UHFFFAOYSA-N 1 0 337.423 2.978 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(CC3CC3)C2)cc1Cn1cccn1 ZINC000873047837 1289539274 /nfs/dbraw/zinc/53/92/74/1289539274.db2.gz FOMWYBNXLLOMQI-LJQANCHMSA-N 1 0 340.471 2.514 20 10 EFCDRO CCC(CC)[C@H](O)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873051238 1289540578 /nfs/dbraw/zinc/54/05/78/1289540578.db2.gz GBJSQKBRSAQRPZ-GOSISDBHSA-N 1 0 331.460 2.827 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](O)CC(C)(C)C)cc1Cn1cccn1 ZINC000873053797 1289541794 /nfs/dbraw/zinc/54/17/94/1289541794.db2.gz NMTMMPKFIHNVKN-QGZVFWFLSA-N 1 0 331.460 2.827 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1Cn1cccn1 ZINC000873060571 1289545307 /nfs/dbraw/zinc/54/53/07/1289545307.db2.gz JHOLGUYUMXJXQW-QRQLOZEOSA-N 1 0 341.455 2.843 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)c2cnn(C)c2)cc1Cn1cccn1 ZINC000873060409 1289545797 /nfs/dbraw/zinc/54/57/97/1289545797.db2.gz HQXKJUIBAVMJNV-CQSZACIVSA-N 1 0 325.416 2.524 20 10 EFCDRO COc1ccc(C[NH2+]CC2(CO)CCCCC2)cc1Cn1cccn1 ZINC000873072848 1289552796 /nfs/dbraw/zinc/55/27/96/1289552796.db2.gz CAWQCJPEMJUBKI-UHFFFAOYSA-N 1 0 343.471 2.972 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1Cn1cccn1 ZINC000873096352 1289566576 /nfs/dbraw/zinc/56/65/76/1289566576.db2.gz XDVVJHLJCABXAK-KRWDZBQOSA-N 1 0 329.444 2.987 20 10 EFCDRO COc1ccc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)cc1Cn1cccn1 ZINC000873103684 1289568830 /nfs/dbraw/zinc/56/88/30/1289568830.db2.gz GLSLATNWOOFXTH-UXHICEINSA-N 1 0 341.455 2.987 20 10 EFCDRO CCCOc1ccc(C[NH2+]C[C@@H]2COC3(CCOCC3)O2)cc1C ZINC000873102539 1289569599 /nfs/dbraw/zinc/56/95/99/1289569599.db2.gz MNTSYRPFZUMLEZ-QGZVFWFLSA-N 1 0 335.444 2.796 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2OCCOC)cc1C ZINC000873109180 1289571688 /nfs/dbraw/zinc/57/16/88/1289571688.db2.gz GDQXQPDJEVLYNH-IEBWSBKVSA-N 1 0 337.460 2.694 20 10 EFCDRO O=C(NCCCSc1nccs1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000824275079 1289579995 /nfs/dbraw/zinc/57/99/95/1289579995.db2.gz ARAHDLGRBPRMGW-QGZVFWFLSA-N 1 0 347.509 2.673 20 10 EFCDRO COc1ccc(C[NH2+][C@H](CO)C2CCCC2)cc1Cn1cccn1 ZINC000873127129 1289583203 /nfs/dbraw/zinc/58/32/03/1289583203.db2.gz ISOUAVVBESWKDV-GOSISDBHSA-N 1 0 329.444 2.581 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)CN(C)C(C)C)cc1Cn1cccn1 ZINC000873126751 1289583366 /nfs/dbraw/zinc/58/33/66/1289583366.db2.gz CHBRUXUKBSLGBS-MRXNPFEDSA-N 1 0 330.476 2.758 20 10 EFCDRO COc1ccc(C[NH2+]CCC2(OC)CCC2)cc1Cn1cccn1 ZINC000873128126 1289583408 /nfs/dbraw/zinc/58/34/08/1289583408.db2.gz CSOPTBHRKTWHHJ-UHFFFAOYSA-N 1 0 329.444 2.989 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)cc1Cn1cccn1 ZINC000873128194 1289583742 /nfs/dbraw/zinc/58/37/42/1289583742.db2.gz GVFKARSKLZYTJU-AWEZNQCLSA-N 1 0 338.411 2.891 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)cc1Cn1cccn1 ZINC000873131653 1289588084 /nfs/dbraw/zinc/58/80/84/1289588084.db2.gz WKXIBYOABVMHIX-HDICACEKSA-N 1 0 329.444 2.986 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2OC)cc1Cn1cccn1 ZINC000873133585 1289589018 /nfs/dbraw/zinc/58/90/18/1289589018.db2.gz SVVRTRMBJBKNJI-IEBWSBKVSA-N 1 0 329.444 2.987 20 10 EFCDRO CCOCCOCC[N@H+](C)Cc1ccc(Br)cc1O ZINC000825657999 1289591288 /nfs/dbraw/zinc/59/12/88/1289591288.db2.gz LLKNPDKPWZRWOC-UHFFFAOYSA-N 1 0 332.238 2.640 20 10 EFCDRO O=c1[nH]c2cc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)ccc2o1 ZINC000873173024 1289619589 /nfs/dbraw/zinc/61/95/89/1289619589.db2.gz LLIDKIPFBLKWLR-UHFFFAOYSA-N 1 0 339.395 2.660 20 10 EFCDRO O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204280564 1289622775 /nfs/dbraw/zinc/62/27/75/1289622775.db2.gz KWJXNCPNNSATME-UHFFFAOYSA-N 1 0 346.814 2.709 20 10 EFCDRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]Cc2cccc(OC)c2O)c1 ZINC000873195603 1289633963 /nfs/dbraw/zinc/63/39/63/1289633963.db2.gz OISDKIWBNOITQX-KPZWWZAWSA-N 1 0 347.411 2.630 20 10 EFCDRO COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000873195665 1289634114 /nfs/dbraw/zinc/63/41/14/1289634114.db2.gz OUCDIRGONJOUHZ-XCLFUZPHSA-N 1 0 343.423 2.850 20 10 EFCDRO COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000873195663 1289634330 /nfs/dbraw/zinc/63/43/30/1289634330.db2.gz OUCDIRGONJOUHZ-RBZFPXEDSA-N 1 0 343.423 2.850 20 10 EFCDRO COc1cccc(C[NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1O ZINC000824383758 1289636411 /nfs/dbraw/zinc/63/64/11/1289636411.db2.gz UQCPWHSPUNXXRA-LIRRHRJNSA-N 1 0 348.443 2.747 20 10 EFCDRO O=[N+]([O-])c1cc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1N1CCCCC1 ZINC000873215471 1289649210 /nfs/dbraw/zinc/64/92/10/1289649210.db2.gz FAHPQVVNFFOMTF-IYBDPMFKSA-N 1 0 330.432 2.521 20 10 EFCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1 ZINC000824591429 1289714152 /nfs/dbraw/zinc/71/41/52/1289714152.db2.gz VDRSPMSVXONCHM-NRFANRHFSA-N 1 0 340.467 2.871 20 10 EFCDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(F)ccc3O)CC2)c1 ZINC000824608485 1289724325 /nfs/dbraw/zinc/72/43/25/1289724325.db2.gz HCLCTQHPFLHKNO-UHFFFAOYSA-N 1 0 347.390 2.742 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC001016369636 1312748364 /nfs/dbraw/zinc/74/83/64/1312748364.db2.gz UDHVADJKPFLWTA-MRXNPFEDSA-N 1 0 343.431 2.843 20 10 EFCDRO Cc1cc(O)c(C[NH2+]CCCN2CCCO[C@@H](C)C2)cc1Cl ZINC000825697580 1290045709 /nfs/dbraw/zinc/04/57/09/1290045709.db2.gz HITAPIJQTHPNPZ-AWEZNQCLSA-N 1 0 326.868 2.945 20 10 EFCDRO Cc1ccc(O)c(CNc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)c1 ZINC000124687063 1290087288 /nfs/dbraw/zinc/08/72/88/1290087288.db2.gz AOZBWGJLCZHXDI-UHFFFAOYSA-N 1 0 341.411 2.782 20 10 EFCDRO C[C@H]1OCC[C@@]12CN(Cc1ccc(Br)cc1O)CCO2 ZINC000825738650 1290263370 /nfs/dbraw/zinc/26/33/70/1290263370.db2.gz RDEFZAXHVNPFPN-IAQYHMDHSA-N 1 0 342.233 2.535 20 10 EFCDRO COCCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001183688758 1290384134 /nfs/dbraw/zinc/38/41/34/1290384134.db2.gz FOEJFHNNQWXHIL-AEFFLSMTSA-N 1 0 348.487 2.614 20 10 EFCDRO C[NH+](C)CCCCC(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001184060638 1290419219 /nfs/dbraw/zinc/41/92/19/1290419219.db2.gz IMSWEQKINNSIPV-UHFFFAOYSA-N 1 0 335.835 2.942 20 10 EFCDRO CCN1CCC([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000125238124 1290427913 /nfs/dbraw/zinc/42/79/13/1290427913.db2.gz KXULLFXORLGECR-UHFFFAOYSA-N 1 0 335.467 2.578 20 10 EFCDRO CCC[C@@H]1CN(Cc2cccc(OCC)c2O)CC[N@@H+]1CCOC ZINC000091858344 1290554984 /nfs/dbraw/zinc/55/49/84/1290554984.db2.gz ZLMXICODXUYXAN-QGZVFWFLSA-N 1 0 336.476 2.724 20 10 EFCDRO COc1cccc(N2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)c1 ZINC001232834955 1312791040 /nfs/dbraw/zinc/79/10/40/1312791040.db2.gz RXSUJQDWZJCDNP-UHFFFAOYSA-N 1 0 341.455 2.789 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC001232836909 1312791633 /nfs/dbraw/zinc/79/16/33/1312791633.db2.gz WGKXGAYFGVOURG-UHFFFAOYSA-N 1 0 349.475 2.901 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001232838632 1312792107 /nfs/dbraw/zinc/79/21/07/1312792107.db2.gz HVRNVSZPLFAPCH-QUCCMNQESA-N 1 0 346.471 2.618 20 10 EFCDRO COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232838207 1312792266 /nfs/dbraw/zinc/79/22/66/1312792266.db2.gz HXEMNIYMUPRNFG-OXQOHEQNSA-N 1 0 348.487 2.866 20 10 EFCDRO CCc1noc([C@@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3O)C2)n1 ZINC001232840081 1312792332 /nfs/dbraw/zinc/79/23/32/1312792332.db2.gz LZPXPUDCOJPHLY-CQSZACIVSA-N 1 0 330.432 2.783 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c(O)c1 ZINC001232839669 1312792522 /nfs/dbraw/zinc/79/25/22/1312792522.db2.gz URHJMRBIMGBSHH-DFQSSKMNSA-N 1 0 346.471 2.617 20 10 EFCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2O)C[C@@H]1C ZINC001232841473 1312792885 /nfs/dbraw/zinc/79/28/85/1312792885.db2.gz HWHBCAGDYNBUIG-LSDHHAIUSA-N 1 0 334.460 2.869 20 10 EFCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2O)C[C@H]1C ZINC001232841472 1312792937 /nfs/dbraw/zinc/79/29/37/1312792937.db2.gz HWHBCAGDYNBUIG-HUUCEWRRSA-N 1 0 334.460 2.869 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCN3CCc4ccccc4[C@H]3C2)c(O)c1 ZINC001232840665 1312793189 /nfs/dbraw/zinc/79/31/89/1312793189.db2.gz GBJKFGPLJOYKGG-HXUWFJFHSA-N 1 0 337.467 2.873 20 10 EFCDRO COc1ccc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3O)C2)nc1 ZINC001232841537 1312793231 /nfs/dbraw/zinc/79/32/31/1312793231.db2.gz IVJREUOHZPQZAH-KRWDZBQOSA-N 1 0 343.427 2.515 20 10 EFCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2O)C[C@H]1C ZINC001232841470 1312793332 /nfs/dbraw/zinc/79/33/32/1312793332.db2.gz HWHBCAGDYNBUIG-CABCVRRESA-N 1 0 334.460 2.869 20 10 EFCDRO Cc1cnccc1O[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232841561 1312793340 /nfs/dbraw/zinc/79/33/40/1312793340.db2.gz JWIULZWFMDRTML-KRWDZBQOSA-N 1 0 327.428 2.815 20 10 EFCDRO Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3O)C2)n1 ZINC001232841539 1312793382 /nfs/dbraw/zinc/79/33/82/1312793382.db2.gz IWFCSCDKDAJZFP-KRWDZBQOSA-N 1 0 342.443 2.600 20 10 EFCDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000092506424 1290782350 /nfs/dbraw/zinc/78/23/50/1290782350.db2.gz UGZADKZGWWWZDE-QKLQHJQFSA-N 1 0 331.504 2.826 20 10 EFCDRO Cc1cccc(O)c1C[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000876646496 1290964529 /nfs/dbraw/zinc/96/45/29/1290964529.db2.gz WIMAAFXSEQSMTQ-UHFFFAOYSA-N 1 0 342.414 2.727 20 10 EFCDRO C[N@H+](Cc1ccno1)Cc1ccc(I)cc1O ZINC001232977368 1312824144 /nfs/dbraw/zinc/82/41/44/1312824144.db2.gz BBYQVRFTEFWMTO-UHFFFAOYSA-N 1 0 344.152 2.617 20 10 EFCDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C ZINC000876753843 1291006810 /nfs/dbraw/zinc/00/68/10/1291006810.db2.gz ASEURSOAOMNHTK-IAGOWNOFSA-N 1 0 331.504 2.562 20 10 EFCDRO CCc1nsc(N2CCC[N@H+](Cc3ccc(C)cc3O)CC2)n1 ZINC000876796138 1291024628 /nfs/dbraw/zinc/02/46/28/1291024628.db2.gz CCMIWSCMDKXCMH-UHFFFAOYSA-N 1 0 332.473 2.827 20 10 EFCDRO COCCC[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001186902996 1291047405 /nfs/dbraw/zinc/04/74/05/1291047405.db2.gz TZXZVJWXWWDVAL-MAUKXSAKSA-N 1 0 348.487 2.757 20 10 EFCDRO COc1cccc([C@@H]([NH3+])C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000876886023 1291058878 /nfs/dbraw/zinc/05/88/78/1291058878.db2.gz SPIPPDYCUOECBO-LJQANCHMSA-N 1 0 340.423 2.596 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]CCOc3ccc(F)cc3)cc2)CC1 ZINC000876914948 1291069468 /nfs/dbraw/zinc/06/94/68/1291069468.db2.gz YWTLZXSWNABZAT-UHFFFAOYSA-N 1 0 344.430 2.955 20 10 EFCDRO COc1cccc(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000876937437 1291079648 /nfs/dbraw/zinc/07/96/48/1291079648.db2.gz WINRODYRDBHFJD-UHFFFAOYSA-N 1 0 340.467 2.989 20 10 EFCDRO COc1cc([C@H](C)[NH2+]Cc2ccc(C)cc2O)ccc1OCCO ZINC000876967659 1291089855 /nfs/dbraw/zinc/08/98/55/1291089855.db2.gz KHPXFQIELIQCNF-AWEZNQCLSA-N 1 0 331.412 2.931 20 10 EFCDRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000876986503 1291099319 /nfs/dbraw/zinc/09/93/19/1291099319.db2.gz HDASTMMHHHXODW-RYRKJORJSA-N 1 0 345.487 2.621 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(Cl)nn1)c1ccc(N2CCOCC2)cc1 ZINC000876986949 1291099413 /nfs/dbraw/zinc/09/94/13/1291099413.db2.gz NKSILSHBVABQHA-CYBMUJFWSA-N 1 0 332.835 2.817 20 10 EFCDRO COc1ncc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000876987158 1291099660 /nfs/dbraw/zinc/09/96/60/1291099660.db2.gz QOLWFZAUGROGLX-ZDUSSCGKSA-N 1 0 333.457 2.839 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1O ZINC000093281840 1291102650 /nfs/dbraw/zinc/10/26/50/1291102650.db2.gz DNAVXULZNCUQNZ-CQSZACIVSA-N 1 0 334.460 2.775 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](OC)C3CCOCC3)CC2)cc1 ZINC000876999732 1291102685 /nfs/dbraw/zinc/10/26/85/1291102685.db2.gz WUPDFAWPDILHMQ-HXUWFJFHSA-N 1 0 348.487 2.695 20 10 EFCDRO Oc1cc(CN2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)cc(O)c1O ZINC001233012757 1312831957 /nfs/dbraw/zinc/83/19/57/1312831957.db2.gz MYNNINZNZZONDQ-IRXDYDNUSA-N 1 0 340.423 2.510 20 10 EFCDRO Oc1cc(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc(O)c1O ZINC001233014431 1312832568 /nfs/dbraw/zinc/83/25/68/1312832568.db2.gz ULKZLTUJZLNOTI-UHFFFAOYSA-N 1 0 332.444 2.644 20 10 EFCDRO Oc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1F ZINC000877058013 1291120673 /nfs/dbraw/zinc/12/06/73/1291120673.db2.gz SBSHSYHRAUCVIM-UHFFFAOYSA-N 1 0 330.403 2.782 20 10 EFCDRO CN(Cc1cc(O)c(O)c(O)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233017581 1312833398 /nfs/dbraw/zinc/83/33/98/1312833398.db2.gz XQELMMMDKNMUPQ-MRXNPFEDSA-N 1 0 342.439 2.757 20 10 EFCDRO OC[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877073994 1291125377 /nfs/dbraw/zinc/12/53/77/1291125377.db2.gz XJZDNLNAKCTMJF-IBGZPJMESA-N 1 0 340.467 2.513 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]CCOCc3ccccc3)cc2)CC1 ZINC000877077967 1291128315 /nfs/dbraw/zinc/12/83/15/1291128315.db2.gz XGVJVRZAFMAVHU-UHFFFAOYSA-N 1 0 340.467 2.954 20 10 EFCDRO COc1cccc(C[NH+]2CCN([C@H](C)c3cccnc3)CC2)c1O ZINC000093413458 1291133575 /nfs/dbraw/zinc/13/35/75/1291133575.db2.gz GGHJHFOIMNFINN-OAHLLOKOSA-N 1 0 327.428 2.675 20 10 EFCDRO CSCC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)C(=O)N(C)C ZINC000825940116 1291139783 /nfs/dbraw/zinc/13/97/83/1291139783.db2.gz MHXBKFXPBLEFJP-ZDUSSCGKSA-N 1 0 330.881 2.654 20 10 EFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]CC3CCSCC3)cc2)C1 ZINC000877146458 1291146161 /nfs/dbraw/zinc/14/61/61/1291146161.db2.gz TUKALQTVVCTSCI-KRWDZBQOSA-N 1 0 347.528 2.621 20 10 EFCDRO CCC(CC)(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(=O)OC ZINC000877177185 1291154803 /nfs/dbraw/zinc/15/48/03/1291154803.db2.gz RILRTBTUHKHFBY-UHFFFAOYSA-N 1 0 348.487 2.717 20 10 EFCDRO Cc1cc(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c(C)n1-c1ccccn1 ZINC000877179739 1291155619 /nfs/dbraw/zinc/15/56/19/1291155619.db2.gz IGMLTKAVYYSZQU-WKILWMFISA-N 1 0 326.444 2.736 20 10 EFCDRO C[NH+]1CC2(C1)CC[NH+](Cc1c([O-])cc(Br)cc1F)CC2 ZINC001233029597 1312835691 /nfs/dbraw/zinc/83/56/91/1312835691.db2.gz FOCRHFZMDLASQU-UHFFFAOYSA-N 1 0 343.240 2.821 20 10 EFCDRO C[N@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646794 1291184459 /nfs/dbraw/zinc/18/44/59/1291184459.db2.gz JAEJSAGNBCQAFD-HIFRSBDPSA-N 1 0 331.865 2.833 20 10 EFCDRO Cc1cccc(O)c1C[NH2+]C[C@H](Cc1ccccc1Cl)C(N)=O ZINC000877322137 1291192364 /nfs/dbraw/zinc/19/23/64/1291192364.db2.gz WZAOKUKCPVSFOC-AWEZNQCLSA-N 1 0 332.831 2.788 20 10 EFCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c(O)c1 ZINC000877369474 1291213528 /nfs/dbraw/zinc/21/35/28/1291213528.db2.gz ZVJYCWMHVBWNGF-UHFFFAOYSA-N 1 0 346.452 2.530 20 10 EFCDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877438116 1291232973 /nfs/dbraw/zinc/23/29/73/1291232973.db2.gz BZKYYKKFYAPQAA-FQEVSTJZSA-N 1 0 332.488 2.632 20 10 EFCDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000795697507 1291239334 /nfs/dbraw/zinc/23/93/34/1291239334.db2.gz DWSOTSZCHYIVJZ-DNVCBOLYSA-N 1 0 330.472 2.566 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H](C2CC2)O1 ZINC000877486930 1291245156 /nfs/dbraw/zinc/24/51/56/1291245156.db2.gz OESBUMDFACNYDK-YWZLYKJASA-N 1 0 330.472 2.647 20 10 EFCDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877486208 1291245681 /nfs/dbraw/zinc/24/56/81/1291245681.db2.gz KQJRMPYEAHWLNE-FQEVSTJZSA-N 1 0 345.531 2.858 20 10 EFCDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877519335 1291256384 /nfs/dbraw/zinc/25/63/84/1291256384.db2.gz XNZIQRATABMMHM-XLIONFOSSA-N 1 0 343.515 2.706 20 10 EFCDRO Cc1cccc(O)c1C[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000877534881 1291265220 /nfs/dbraw/zinc/26/52/20/1291265220.db2.gz POFCFIRURDGUHS-OAHLLOKOSA-N 1 0 328.412 2.801 20 10 EFCDRO COCC1(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCC1 ZINC000877550795 1291272032 /nfs/dbraw/zinc/27/20/32/1291272032.db2.gz LVBPFEDDJRKVAS-UHFFFAOYSA-N 1 0 332.488 2.944 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]CCOCC3CCCC3)cc2)CC1 ZINC000877578217 1291281075 /nfs/dbraw/zinc/28/10/75/1291281075.db2.gz YWPGKQZVZSQRAO-UHFFFAOYSA-N 1 0 332.488 2.944 20 10 EFCDRO Cc1ccc(O)c(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000877652507 1291309097 /nfs/dbraw/zinc/30/90/97/1291309097.db2.gz JARAZZDTQDUIBA-UHFFFAOYSA-N 1 0 342.399 2.762 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1O ZINC000795722676 1291311031 /nfs/dbraw/zinc/31/10/31/1291311031.db2.gz WYSKCYYSVUOOHK-OAHLLOKOSA-N 1 0 333.350 2.989 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(C)cccc2O)C[C@H]1c1ccc(O)cc1 ZINC000877655056 1291313278 /nfs/dbraw/zinc/31/32/78/1291313278.db2.gz MJRNAAZKTLXYCN-ZWKOTPCHSA-N 1 0 341.407 2.795 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CC(CNC(=O)C(F)(F)F)C2)cc1 ZINC000877777996 1291371594 /nfs/dbraw/zinc/37/15/94/1291371594.db2.gz IIPYFRPAEMADIB-UHFFFAOYSA-N 1 0 343.393 2.643 20 10 EFCDRO COc1cc(C[N@@H+]2CCSC[C@H]2CO)c(O)c(C(C)(C)C)c1 ZINC000877779594 1291373397 /nfs/dbraw/zinc/37/33/97/1291373397.db2.gz CVRDZTGGGGAHOK-CYBMUJFWSA-N 1 0 325.474 2.608 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)NOC)CC2)cc1F ZINC000877786655 1291380569 /nfs/dbraw/zinc/38/05/69/1291380569.db2.gz RVEROVHTZCRNMV-UHFFFAOYSA-N 1 0 337.439 2.562 20 10 EFCDRO COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]Cc2cc(F)ccc2O)c1 ZINC000877831918 1291400492 /nfs/dbraw/zinc/40/04/92/1291400492.db2.gz BYTONHFDNBRWIY-ZMZPIMSZSA-N 1 0 335.375 2.760 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000795844463 1291529340 /nfs/dbraw/zinc/52/93/40/1291529340.db2.gz LJMGAQLEZMKXPZ-GFCCVEGCSA-N 1 0 343.393 2.848 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCC3(COC3)C2)cc1Br ZINC001233137312 1312864271 /nfs/dbraw/zinc/86/42/71/1312864271.db2.gz JAGATAFEVBKWIR-UHFFFAOYSA-N 1 0 342.233 2.776 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCS(=O)(=O)C(C)(C)C)c1 ZINC000878359986 1291645069 /nfs/dbraw/zinc/64/50/69/1291645069.db2.gz GTVZXVKRENXHMY-LBPRGKRZSA-N 1 0 329.462 2.655 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC(C)(C)CC1)cc2=O ZINC000127116069 1291670200 /nfs/dbraw/zinc/67/02/00/1291670200.db2.gz PYNRVHVIIKVNLT-UHFFFAOYSA-N 1 0 346.431 2.624 20 10 EFCDRO CCC(CC)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000127222743 1291726299 /nfs/dbraw/zinc/72/62/99/1291726299.db2.gz YIPFAXSBNOBWFO-MRXNPFEDSA-N 1 0 347.503 2.648 20 10 EFCDRO CCOC(=O)c1c(C[N@H+](C)C2CCOCC2)c2ccccc2n1C ZINC001233270258 1312889983 /nfs/dbraw/zinc/88/99/83/1312889983.db2.gz GWIZOUQQHJBCSA-UHFFFAOYSA-N 1 0 330.428 2.966 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCCC[C@@H](O)C2)c2ccccc2n1C ZINC001233270557 1312890038 /nfs/dbraw/zinc/89/00/38/1312890038.db2.gz RPAGDAIENCPHCM-CQSZACIVSA-N 1 0 330.428 2.702 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c2ccccc2n1C ZINC001233270594 1312890139 /nfs/dbraw/zinc/89/01/39/1312890139.db2.gz SPKTTWKKNXULJI-RDJZCZTQSA-N 1 0 348.418 2.650 20 10 EFCDRO CCOC(=O)c1c(C[NH+]2CC3(C2)CCOCC3)c2ccccc2n1C ZINC001233272380 1312890558 /nfs/dbraw/zinc/89/05/58/1312890558.db2.gz JBZWJIWOKHTFSI-UHFFFAOYSA-N 1 0 342.439 2.967 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)c2ccccc2n1C ZINC001233270639 1312890587 /nfs/dbraw/zinc/89/05/87/1312890587.db2.gz VBDZILANTRWSEF-KBXCAEBGSA-N 1 0 344.455 2.948 20 10 EFCDRO CCOC(=O)c1c(C[N@H+](CC)CC(C)(C)O)c2ccccc2n1C ZINC001233273345 1312890705 /nfs/dbraw/zinc/89/07/05/1312890705.db2.gz YWLDPHBEGJJZLJ-UHFFFAOYSA-N 1 0 332.444 2.948 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2n1C ZINC001233273070 1312890927 /nfs/dbraw/zinc/89/09/27/1312890927.db2.gz MVMHISHZIQIMLX-GASCZTMLSA-N 1 0 341.455 2.633 20 10 EFCDRO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(C(C)(C)C)ccc2O)O1 ZINC001233285256 1312895137 /nfs/dbraw/zinc/89/51/37/1312895137.db2.gz ZDSHYQGRHMIOIV-KBAYOESNSA-N 1 0 346.471 2.510 20 10 EFCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CC(N3CCOC(C)(C)C3)C2)c1 ZINC001233286374 1312895327 /nfs/dbraw/zinc/89/53/27/1312895327.db2.gz QZMRCGODDYLRQR-UHFFFAOYSA-N 1 0 332.488 2.985 20 10 EFCDRO COC(=O)[C@H]1COCCC12C[NH+](Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001233286973 1312895418 /nfs/dbraw/zinc/89/54/18/1312895418.db2.gz QUJWFXYPTRZCEL-MRXNPFEDSA-N 1 0 347.455 2.701 20 10 EFCDRO CCNC(=O)CO[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286864 1312895492 /nfs/dbraw/zinc/89/54/92/1312895492.db2.gz MAGWPJOSBFQFJO-KRWDZBQOSA-N 1 0 348.487 2.807 20 10 EFCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCOC[C@@](O)(C(F)(F)F)C2)c1 ZINC001233284203 1312895629 /nfs/dbraw/zinc/89/56/29/1312895629.db2.gz MBYTZESHWIQOEH-MRXNPFEDSA-N 1 0 347.377 2.815 20 10 EFCDRO CC(C)(O)CC[NH+]1CCN(Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233286831 1312895889 /nfs/dbraw/zinc/89/58/89/1312895889.db2.gz KMTCKZGGDOOLIX-UHFFFAOYSA-N 1 0 334.504 2.968 20 10 EFCDRO COc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)ccc1OCCO ZINC000127661933 1292074283 /nfs/dbraw/zinc/07/42/83/1292074283.db2.gz KMZXHLPGADSSHJ-HNNXBMFYSA-N 1 0 344.455 2.983 20 10 EFCDRO COC(=O)c1cccc(OCC[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000775372463 1292101438 /nfs/dbraw/zinc/10/14/38/1292101438.db2.gz BTCWPKLTYCGVHO-CYBMUJFWSA-N 1 0 345.395 2.917 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)NCCc2ccccc2)c1 ZINC000775372506 1292102317 /nfs/dbraw/zinc/10/23/17/1292102317.db2.gz CRCZPVPGVBWCOK-GJZGRUSLSA-N 1 0 342.439 2.799 20 10 EFCDRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001233333688 1312906220 /nfs/dbraw/zinc/90/62/20/1312906220.db2.gz DVDCCWIYPLJMQQ-WBVHZDCISA-N 1 0 327.371 2.688 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)NCCCN(C)c1ccccc1)c1ccccc1O ZINC000879647910 1292216719 /nfs/dbraw/zinc/21/67/19/1292216719.db2.gz QIOHOEIRDOLYBT-MRXNPFEDSA-N 1 0 341.455 2.686 20 10 EFCDRO CCOc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879647950 1292218519 /nfs/dbraw/zinc/21/85/19/1292218519.db2.gz RZXFUGVZUINSAO-HUUCEWRRSA-N 1 0 331.412 2.881 20 10 EFCDRO CCOc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879648378 1292218795 /nfs/dbraw/zinc/21/87/95/1292218795.db2.gz LZQXKLXODRDHFX-CQSZACIVSA-N 1 0 328.412 2.758 20 10 EFCDRO CC[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccccc1O ZINC000775410921 1292303020 /nfs/dbraw/zinc/30/30/20/1292303020.db2.gz CJXLRNQAXWKCHT-QGZVFWFLSA-N 1 0 349.452 2.915 20 10 EFCDRO C[C@@H](CO)C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000826139891 1292322484 /nfs/dbraw/zinc/32/24/84/1292322484.db2.gz RJWLHCJGKXKVOU-NSHDSACASA-N 1 0 328.250 2.995 20 10 EFCDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3[O-])C[C@@H]21 ZINC001233419096 1312928716 /nfs/dbraw/zinc/92/87/16/1312928716.db2.gz JEFGQAXLJLPWBJ-PJXYFTJBSA-N 1 0 329.318 2.652 20 10 EFCDRO O=C1COC2(C1)CC[NH+](Cc1ccc(C(F)(F)F)cc1O)CC2 ZINC001233452205 1312934799 /nfs/dbraw/zinc/93/47/99/1312934799.db2.gz NTFJSJAWYRQYQE-UHFFFAOYSA-N 1 0 329.318 2.735 20 10 EFCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001233454885 1312934934 /nfs/dbraw/zinc/93/49/34/1312934934.db2.gz NQTYGCOJSMQAIN-CYBMUJFWSA-N 1 0 326.322 2.840 20 10 EFCDRO OC[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCC1(F)F ZINC001233452316 1312935045 /nfs/dbraw/zinc/93/50/45/1312935045.db2.gz RBAXIQGXUPHYDO-NSHDSACASA-N 1 0 325.277 2.861 20 10 EFCDRO O=C1NCC[C@]12CCC[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233452780 1312935237 /nfs/dbraw/zinc/93/52/37/1312935237.db2.gz JZYSKESOOQZZEO-HNNXBMFYSA-N 1 0 328.334 2.513 20 10 EFCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001233455437 1312935733 /nfs/dbraw/zinc/93/57/33/1312935733.db2.gz LDCWBECFOHUAQP-ZDUSSCGKSA-N 1 0 339.317 2.854 20 10 EFCDRO Oc1cc(C(F)(F)F)ccc1C[NH+]1CCC(n2cnnc2)CC1 ZINC001233455136 1312935773 /nfs/dbraw/zinc/93/57/73/1312935773.db2.gz XSNLLJOGJZNJGH-UHFFFAOYSA-N 1 0 326.322 2.840 20 10 EFCDRO O=C1CCC2(CC[NH+](Cc3ccc(C(F)(F)F)cc3O)CC2)N1 ZINC001233455412 1312936132 /nfs/dbraw/zinc/93/61/32/1312936132.db2.gz JZUKHOOVVNYSSH-UHFFFAOYSA-N 1 0 328.334 2.656 20 10 EFCDRO O=C1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@H]2CCCN12 ZINC001233455281 1312936270 /nfs/dbraw/zinc/93/62/70/1312936270.db2.gz DNXGGCINDRVREK-CYBMUJFWSA-N 1 0 328.334 2.608 20 10 EFCDRO Oc1cc(C(F)(F)F)ccc1CN1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001233455540 1312936308 /nfs/dbraw/zinc/93/63/08/1312936308.db2.gz PCGHYBSZBNVLKS-OAHLLOKOSA-N 1 0 344.377 2.708 20 10 EFCDRO COCCCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000128553360 1292584080 /nfs/dbraw/zinc/58/40/80/1292584080.db2.gz ZVFLNMREPOZDLT-QGZVFWFLSA-N 1 0 347.503 2.650 20 10 EFCDRO CN(Cc1cc(O)c(O)cc1O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233486379 1312940220 /nfs/dbraw/zinc/94/02/20/1312940220.db2.gz LAKGLXVGMYITQS-INIZCTEOSA-N 1 0 342.439 2.757 20 10 EFCDRO COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)Cc1cc(O)c(O)cc1O ZINC001233486756 1312940683 /nfs/dbraw/zinc/94/06/83/1312940683.db2.gz ALJHOTLSZZOOAR-ZDUSSCGKSA-N 1 0 345.395 2.757 20 10 EFCDRO Cc1ccnc(OC2CC[NH+](Cc3cc(O)c(O)cc3O)CC2)c1 ZINC001233487628 1312941070 /nfs/dbraw/zinc/94/10/70/1312941070.db2.gz LRUGVGLBWJNMRQ-UHFFFAOYSA-N 1 0 330.384 2.550 20 10 EFCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)[C@H]1c1ccccc1 ZINC001233487990 1312941206 /nfs/dbraw/zinc/94/12/06/1312941206.db2.gz ZSDFPJKAFCMEBO-KSSFIOAISA-N 1 0 343.379 2.540 20 10 EFCDRO C[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001191837872 1292687342 /nfs/dbraw/zinc/68/73/42/1292687342.db2.gz IFHLSRBOAJIRKD-SAABIXHNSA-N 1 0 344.503 2.816 20 10 EFCDRO O=C1NCc2ccccc2CC12CC[NH+](Cc1ccccc1O)CC2 ZINC001203555857 1312955197 /nfs/dbraw/zinc/95/51/97/1312955197.db2.gz HOYYEXTXQTYPNI-UHFFFAOYSA-N 1 0 336.435 2.847 20 10 EFCDRO C[NH2+]Cc1cn(CC(=O)c2cc(C)n(-c3ccccc3C)c2C)nn1 ZINC000881228383 1292792087 /nfs/dbraw/zinc/79/20/87/1292792087.db2.gz UOKNNXIJUNITBP-UHFFFAOYSA-N 1 0 337.427 2.596 20 10 EFCDRO CCN1CCn2c(C)cnc2C12CC[NH+](Cc1ccccc1O)CC2 ZINC001203552301 1312954114 /nfs/dbraw/zinc/95/41/14/1312954114.db2.gz IIIIPJMVIZMCLX-UHFFFAOYSA-N 1 0 340.471 2.724 20 10 EFCDRO Cn1cc([C@H]2COC3(C2)CC[NH+](Cc2ccccc2O)CC3)cn1 ZINC001203551821 1312954549 /nfs/dbraw/zinc/95/45/49/1312954549.db2.gz PBZYEOYCRNHXNQ-MRXNPFEDSA-N 1 0 327.428 2.664 20 10 EFCDRO CO[C@@H](CN1CC[NH+](Cc2ccccc2O)CC1)c1ccccc1 ZINC001203558640 1312956358 /nfs/dbraw/zinc/95/63/58/1312956358.db2.gz RSOJHLZTBZQXCJ-FQEVSTJZSA-N 1 0 326.440 2.898 20 10 EFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1)c1cccc(F)c1 ZINC001203561734 1312956767 /nfs/dbraw/zinc/95/67/67/1312956767.db2.gz YOKNUNXWQXQQSE-QGZVFWFLSA-N 1 0 328.387 2.926 20 10 EFCDRO Cc1cc(Cn2cc(C[C@@H]([NH3+])c3ccccc3)nn2)ccc1N(C)C ZINC000881377665 1292864351 /nfs/dbraw/zinc/86/43/51/1292864351.db2.gz SENNXFGJHKAWBS-LJQANCHMSA-N 1 0 335.455 2.943 20 10 EFCDRO CN1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1=O ZINC000796314434 1292867194 /nfs/dbraw/zinc/86/71/94/1292867194.db2.gz DPCZUZKLDZZLRK-HXUWFJFHSA-N 1 0 349.478 2.960 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C(=O)N(C)C ZINC000796315209 1292868187 /nfs/dbraw/zinc/86/81/87/1292868187.db2.gz HQCOBLAQVFIVOM-MRXNPFEDSA-N 1 0 337.467 2.816 20 10 EFCDRO COc1cccc(C[N@@H+]2CCCN(c3ccc(F)cn3)CC2)c1O ZINC001203585010 1312962882 /nfs/dbraw/zinc/96/28/82/1312962882.db2.gz KXSCDUQIBSEVTM-UHFFFAOYSA-N 1 0 331.391 2.647 20 10 EFCDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccc1O ZINC000129063840 1292919023 /nfs/dbraw/zinc/91/90/23/1292919023.db2.gz JDQBLGZEAUDJTI-UHFFFAOYSA-N 1 0 347.346 2.900 20 10 EFCDRO COc1cccc(C[NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)c1O ZINC001203593180 1312965081 /nfs/dbraw/zinc/96/50/81/1312965081.db2.gz ZWSYIWUHABKTMS-KRWDZBQOSA-N 1 0 347.455 2.951 20 10 EFCDRO COc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c1O ZINC001203590284 1312965083 /nfs/dbraw/zinc/96/50/83/1312965083.db2.gz VSVKKGQKZOXBNN-LSDHHAIUSA-N 1 0 348.443 2.842 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@H]3O[C@@H](c4nc(C)no4)CC[C@H]32)c1O ZINC001203591582 1312965368 /nfs/dbraw/zinc/96/53/68/1312965368.db2.gz JQIQEFMAXFSURK-IIAWOOMASA-N 1 0 345.399 2.587 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)c1O ZINC001203593869 1312965646 /nfs/dbraw/zinc/96/56/46/1312965646.db2.gz QXLACPUVWPPSPV-HXUWFJFHSA-N 1 0 338.407 2.521 20 10 EFCDRO COc1cccc(C[NH+]2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)c1O ZINC001203595518 1312966211 /nfs/dbraw/zinc/96/62/11/1312966211.db2.gz GYRYEIUFQSRSTD-UHFFFAOYSA-N 1 0 348.443 2.890 20 10 EFCDRO COc1cccc(C[N@H+](Cc2cccnc2)C2CCOCC2)c1O ZINC001203595922 1312966268 /nfs/dbraw/zinc/96/62/68/1312966268.db2.gz RAQKDFMKUIZKES-UHFFFAOYSA-N 1 0 328.412 2.977 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@@H](Oc3ncncc3C)C2)c1O ZINC001203601703 1312967258 /nfs/dbraw/zinc/96/72/58/1312967258.db2.gz HQKOFFLWWWKFDF-OAHLLOKOSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1cccc(C[NH+]2CCC(NC(=O)CC(C)(C)C)CC2)c1O ZINC001203601832 1312967324 /nfs/dbraw/zinc/96/73/24/1312967324.db2.gz NBQMXUUVOBIWKC-UHFFFAOYSA-N 1 0 334.460 2.918 20 10 EFCDRO COc1cccc(C[NH+]2CCC(Oc3cc(C)ncn3)CC2)c1O ZINC001203601717 1312967372 /nfs/dbraw/zinc/96/73/72/1312967372.db2.gz IBBMSJVILFWENG-UHFFFAOYSA-N 1 0 329.400 2.543 20 10 EFCDRO COC(=O)c1ccc(C2C[NH+](Cc3cccc(OC)c3O)C2)cc1 ZINC001203601756 1312967472 /nfs/dbraw/zinc/96/74/72/1312967472.db2.gz JTNFNEVJTHBMCO-UHFFFAOYSA-N 1 0 327.380 2.787 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)c1O ZINC001203602499 1312968203 /nfs/dbraw/zinc/96/82/03/1312968203.db2.gz ZULPVUMTEPHFBW-CHWSQXEVSA-N 1 0 333.350 2.926 20 10 EFCDRO COc1ccc(O[C@@H]2CCC[N@H+](Cc3cccc(OC)c3O)C2)nc1 ZINC001203601945 1312968316 /nfs/dbraw/zinc/96/83/16/1312968316.db2.gz SGKQPWCQRCEIIR-MRXNPFEDSA-N 1 0 344.411 2.848 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)[C@H](C)C2)c1O ZINC001203602393 1312968386 /nfs/dbraw/zinc/96/83/86/1312968386.db2.gz UEBWOMMTQFKABY-IAQYHMDHSA-N 1 0 333.350 2.926 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)c1O ZINC001203602392 1312968413 /nfs/dbraw/zinc/96/84/13/1312968413.db2.gz UEBWOMMTQFKABY-ABAIWWIYSA-N 1 0 333.350 2.926 20 10 EFCDRO CCOc1cccc(C[N@H+](CCC(=O)OC)Cc2ccco2)c1O ZINC001203608979 1312970120 /nfs/dbraw/zinc/97/01/20/1312970120.db2.gz DNDBXWNRBNIPAY-UHFFFAOYSA-N 1 0 333.384 2.949 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C34CCC(CC3)C4)cc2)CC1 ZINC000881852005 1293028030 /nfs/dbraw/zinc/02/80/30/1293028030.db2.gz GBNAWLSOXFHICM-UHFFFAOYSA-N 1 0 327.472 2.635 20 10 EFCDRO CCO[C@H](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000881851541 1293028296 /nfs/dbraw/zinc/02/82/96/1293028296.db2.gz WINDKMTWWUCNDW-LJQANCHMSA-N 1 0 347.503 2.506 20 10 EFCDRO Cc1cccc(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000881851797 1293029126 /nfs/dbraw/zinc/02/91/26/1293029126.db2.gz RHQYDNCNIVKIMM-UHFFFAOYSA-N 1 0 337.467 2.606 20 10 EFCDRO CC(C)[C@@]1(C)C[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852589 1293029217 /nfs/dbraw/zinc/02/92/17/1293029217.db2.gz WZXDOUZIWDXOPE-UYAOXDASSA-N 1 0 329.488 2.737 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC(C)(C)C3)cc2)CC1 ZINC000881851954 1293029600 /nfs/dbraw/zinc/02/96/00/1293029600.db2.gz DXYIZPKORQAIHA-KRWDZBQOSA-N 1 0 329.488 2.881 20 10 EFCDRO CS[C@@H](C)CCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852438 1293029688 /nfs/dbraw/zinc/02/96/88/1293029688.db2.gz PXDUSWLGEYCRLM-HNNXBMFYSA-N 1 0 335.517 2.586 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)CC(C)(C)C3CC3)cc2)CC1 ZINC000881852899 1293030526 /nfs/dbraw/zinc/03/05/26/1293030526.db2.gz FLFKADFKZISNEZ-UHFFFAOYSA-N 1 0 329.488 2.881 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(CF)cc3)cc2)CC1 ZINC000881854332 1293031312 /nfs/dbraw/zinc/03/13/12/1293031312.db2.gz CCSZBMMGASCILM-UHFFFAOYSA-N 1 0 341.430 2.838 20 10 EFCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001203615717 1312971938 /nfs/dbraw/zinc/97/19/38/1312971938.db2.gz YUEYXNVTUFSWKL-HUUCEWRRSA-N 1 0 348.443 2.842 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC(Oc3nccc(C)n3)CC2)c1O ZINC001203617588 1312972267 /nfs/dbraw/zinc/97/22/67/1312972267.db2.gz QXADFFMVMOTXHN-UHFFFAOYSA-N 1 0 343.427 2.933 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](Oc3nccnc3C)C2)c1O ZINC001203617385 1312972645 /nfs/dbraw/zinc/97/26/45/1312972645.db2.gz PGFJPRYRZHKEPZ-MRXNPFEDSA-N 1 0 343.427 2.933 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC(Oc3ncc(F)cn3)CC2)c1O ZINC001203617131 1312972664 /nfs/dbraw/zinc/97/26/64/1312972664.db2.gz IWGYUGOVBHFUKJ-UHFFFAOYSA-N 1 0 347.390 2.763 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2ccc(OC)cc2O)Cc2c1cnn2CC ZINC001203622059 1312973204 /nfs/dbraw/zinc/97/32/04/1312973204.db2.gz NANMATPMCVASFC-HNNXBMFYSA-N 1 0 345.443 2.753 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001203620361 1312973253 /nfs/dbraw/zinc/97/32/53/1312973253.db2.gz BBMYQAYFJSNURB-KBPBESRZSA-N 1 0 337.313 2.628 20 10 EFCDRO COc1ccc(C[NH+]2CC(CN(C)C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203620993 1312973338 /nfs/dbraw/zinc/97/33/38/1312973338.db2.gz MNHRTCDTXRISSC-UHFFFAOYSA-N 1 0 336.432 2.700 20 10 EFCDRO COc1ccc(C[N@@H+]2CC3CC2(CNC(=O)OC(C)(C)C)C3)c(O)c1 ZINC001203621728 1312973425 /nfs/dbraw/zinc/97/34/25/1312973425.db2.gz HUFZFIJEPPACNE-UHFFFAOYSA-N 1 0 348.443 2.890 20 10 EFCDRO COc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NC3CCC3)CC2)c(O)c1 ZINC001203622698 1312973912 /nfs/dbraw/zinc/97/39/12/1312973912.db2.gz ANLWDHYIDPGBBI-KRWDZBQOSA-N 1 0 344.455 2.672 20 10 EFCDRO COc1ccc(C[NH+]2CCN(c3nccc4occc43)CC2)c(O)c1 ZINC001203627750 1312974970 /nfs/dbraw/zinc/97/49/70/1312974970.db2.gz MYDGYGRXNDJSRN-UHFFFAOYSA-N 1 0 339.395 2.864 20 10 EFCDRO COc1ccc(C[NH+]2CCN(Cc3ccccc3F)CC2)c(O)c1 ZINC001203628522 1312975533 /nfs/dbraw/zinc/97/55/33/1312975533.db2.gz AHUVJZUDINRSEJ-UHFFFAOYSA-N 1 0 330.403 2.858 20 10 EFCDRO COc1ccc(C[N@@H+]2CCCN(c3ncccc3C)CC2)c(O)c1 ZINC001203628547 1312975555 /nfs/dbraw/zinc/97/55/55/1312975555.db2.gz BCWVSVGSUZEVPI-UHFFFAOYSA-N 1 0 327.428 2.817 20 10 EFCDRO COc1ccc(C[NH+]2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)c(O)c1 ZINC001203628029 1312975727 /nfs/dbraw/zinc/97/57/27/1312975727.db2.gz WFQMQBHWIXWWIJ-UHFFFAOYSA-N 1 0 348.443 2.890 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncncc3C)C2)c(O)c1 ZINC001203635441 1312977246 /nfs/dbraw/zinc/97/72/46/1312977246.db2.gz VBQAGFFEIFKBAO-MRXNPFEDSA-N 1 0 329.400 2.543 20 10 EFCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@](O)(CF)CC1 ZINC001203636037 1312977863 /nfs/dbraw/zinc/97/78/63/1312977863.db2.gz NPVRXFIOSUTGKR-AWEZNQCLSA-N 1 0 332.213 2.841 20 10 EFCDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2cc(Br)ccc2O)C1 ZINC001203645400 1312979841 /nfs/dbraw/zinc/97/98/41/1312979841.db2.gz GUBAAXGKAPUVIZ-CMPLNLGQSA-N 1 0 342.233 2.786 20 10 EFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)[C@H]1C ZINC001203645948 1312980038 /nfs/dbraw/zinc/98/00/38/1312980038.db2.gz WXVSCUGAEXUMRW-GWCFXTLKSA-N 1 0 342.233 2.928 20 10 EFCDRO COc1cc(C(=O)N2CCC[C@H]([NH3+])c3cc(C)ccc32)cc(O)c1O ZINC001193113792 1293175278 /nfs/dbraw/zinc/17/52/78/1293175278.db2.gz COZZHFRLTCOHAH-AWEZNQCLSA-N 1 0 342.395 2.855 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC3(CCCCN3C(C)=O)CC2)c1 ZINC001203675431 1312987051 /nfs/dbraw/zinc/98/70/51/1312987051.db2.gz WRGSKFJJMIOIDI-UHFFFAOYSA-N 1 0 332.444 2.768 20 10 EFCDRO CC[NH+](CC)CCCN1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC001203663709 1312984102 /nfs/dbraw/zinc/98/41/02/1312984102.db2.gz DVOBCMPONUSGCV-UHFFFAOYSA-N 1 0 339.911 2.895 20 10 EFCDRO CCCNC(=O)COC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203665244 1312984354 /nfs/dbraw/zinc/98/43/54/1312984354.db2.gz DOAUFVRUQLSUEV-UHFFFAOYSA-N 1 0 340.851 2.553 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCCN(c3ncccc3C)CC2)c1 ZINC001203675103 1312987108 /nfs/dbraw/zinc/98/71/08/1312987108.db2.gz MXAFEJBSRABROP-UHFFFAOYSA-N 1 0 327.428 2.817 20 10 EFCDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(O)c(O)c1Cl ZINC001193236760 1293209519 /nfs/dbraw/zinc/20/95/19/1293209519.db2.gz QDHMRIBOLIYWJX-NSHDSACASA-N 1 0 326.824 2.601 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)c1 ZINC001203670290 1312985294 /nfs/dbraw/zinc/98/52/94/1312985294.db2.gz MKZWYKBHISVBTQ-KGLIPLIRSA-N 1 0 337.313 2.628 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c1 ZINC001203671070 1312985670 /nfs/dbraw/zinc/98/56/70/1312985670.db2.gz IPTAEAPAQHYYFI-ZBFHGGJFSA-N 1 0 348.443 2.842 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)c1 ZINC001203671140 1312986085 /nfs/dbraw/zinc/98/60/85/1312986085.db2.gz KMZWYXTWMWKMQK-FQEVSTJZSA-N 1 0 348.487 2.724 20 10 EFCDRO Oc1c(CN2CC([NH+]3CCC(F)CC3)C2)cccc1OC(F)(F)F ZINC001233760588 1312986263 /nfs/dbraw/zinc/98/62/63/1312986263.db2.gz IIEQGXVDROCZEK-UHFFFAOYSA-N 1 0 348.340 2.909 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCCCN3C(C)=O)C2)c1 ZINC001203675160 1312986892 /nfs/dbraw/zinc/98/68/92/1312986892.db2.gz PFVLUCPIPSNBOL-IBGZPJMESA-N 1 0 332.444 2.768 20 10 EFCDRO COC[C@@H]1COCCC12CC[NH+](Cc1cc(OC)ccc1O)CC2 ZINC001203675244 1312986963 /nfs/dbraw/zinc/98/69/63/1312986963.db2.gz QZGPKGKAWSTJOE-MRXNPFEDSA-N 1 0 335.444 2.666 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(CCCN3C(=O)C(C)C)C2)c1 ZINC001203674761 1312987020 /nfs/dbraw/zinc/98/70/20/1312987020.db2.gz APRDNSIFQHATID-LJQANCHMSA-N 1 0 332.444 2.624 20 10 EFCDRO O=C1OCCC12CC[NH+](Cc1cccc(OC(F)(F)F)c1O)CC2 ZINC001233768580 1312987473 /nfs/dbraw/zinc/98/74/73/1312987473.db2.gz VGLOPQFZPDINLT-UHFFFAOYSA-N 1 0 345.317 2.820 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](Oc3ncc(C)cn3)C2)c1 ZINC001203684159 1312989344 /nfs/dbraw/zinc/98/93/44/1312989344.db2.gz NSMFAGTZQXFKTN-MRXNPFEDSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC001203683986 1312989706 /nfs/dbraw/zinc/98/97/06/1312989706.db2.gz HTXDHUVJSOXQCL-OCCSQVGLSA-N 1 0 336.432 2.888 20 10 EFCDRO Oc1c(CN2CCC([NH+]3CCC3)CC2)cccc1OC(F)(F)F ZINC001233775848 1312989928 /nfs/dbraw/zinc/98/99/28/1312989928.db2.gz FAQXNIGBUPPHOV-UHFFFAOYSA-N 1 0 330.350 2.961 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ncc(C(F)F)cn3)cc2)CC1 ZINC000882879621 1293365547 /nfs/dbraw/zinc/36/55/47/1293365547.db2.gz FDYUQKJPUNBVDF-UHFFFAOYSA-N 1 0 333.386 2.778 20 10 EFCDRO C[NH+](C)CCOc1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000882898930 1293376306 /nfs/dbraw/zinc/37/63/06/1293376306.db2.gz ZOHVWJJOPOFDIS-UHFFFAOYSA-N 1 0 336.382 2.901 20 10 EFCDRO Oc1ccc(Br)cc1CN1CC[NH+](CC2CC2)CC1 ZINC000130635603 1293412109 /nfs/dbraw/zinc/41/21/09/1293412109.db2.gz KYPBFFZJWJJOEF-UHFFFAOYSA-N 1 0 325.250 2.682 20 10 EFCDRO [O-]c1c(F)cc(Br)cc1C[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000882989740 1293419669 /nfs/dbraw/zinc/41/96/69/1293419669.db2.gz GSBJCYFEXBGOJL-CYBMUJFWSA-N 1 0 343.240 2.868 20 10 EFCDRO O=C1NCCCN1c1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000883182330 1293496784 /nfs/dbraw/zinc/49/67/84/1293496784.db2.gz ZOQSPBPSJGAPBA-UHFFFAOYSA-N 1 0 347.365 2.880 20 10 EFCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1cccc(-n2cnnn2)c1 ZINC000132150707 1293629485 /nfs/dbraw/zinc/62/94/85/1293629485.db2.gz CHQXCJABPSYCKL-GFCCVEGCSA-N 1 0 346.485 2.952 20 10 EFCDRO C[C@@H](CCC1CC1)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883622434 1293654171 /nfs/dbraw/zinc/65/41/71/1293654171.db2.gz PSDZGCSIKNYUJN-INIZCTEOSA-N 1 0 344.503 2.816 20 10 EFCDRO COCC(COC)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000834893243 1293859911 /nfs/dbraw/zinc/85/99/11/1293859911.db2.gz URRNLMUTSONERV-JTQLQIEISA-N 1 0 332.238 2.775 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1OC ZINC000775654979 1293913539 /nfs/dbraw/zinc/91/35/39/1293913539.db2.gz SGVHQZUBGBKBGL-LBPRGKRZSA-N 1 0 349.349 2.953 20 10 EFCDRO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(O)c(O)c3)C2)CN1c1ccsc1 ZINC001203877484 1313039217 /nfs/dbraw/zinc/03/92/17/1313039217.db2.gz SEMKBDDNFOINJW-GOSISDBHSA-N 1 0 344.436 2.788 20 10 EFCDRO O=C1C[C@]2(CC[N@@H+](Cc3ccc(O)c(O)c3)C2)CN1c1ccsc1 ZINC001203877486 1313039495 /nfs/dbraw/zinc/03/94/95/1313039495.db2.gz SEMKBDDNFOINJW-SFHVURJKSA-N 1 0 344.436 2.788 20 10 EFCDRO CN(C[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1)C(=O)OC(C)(C)C ZINC001203879264 1313039690 /nfs/dbraw/zinc/03/96/90/1313039690.db2.gz HPMCEHFKGJZNTG-AWEZNQCLSA-N 1 0 336.432 2.787 20 10 EFCDRO CC(C)(C)OC(=O)N1CCC[NH+](Cc2ccc(O)c(O)c2)CCC1 ZINC001203879948 1313039708 /nfs/dbraw/zinc/03/97/08/1313039708.db2.gz HLXQSAUGNXFMIB-UHFFFAOYSA-N 1 0 336.432 2.931 20 10 EFCDRO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001203878870 1313040034 /nfs/dbraw/zinc/04/00/34/1313040034.db2.gz WPCRMXYBLDBOJU-CQSZACIVSA-N 1 0 348.443 2.787 20 10 EFCDRO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001203882229 1313040649 /nfs/dbraw/zinc/04/06/49/1313040649.db2.gz GKVTZFCHYYZIPJ-CQSZACIVSA-N 1 0 336.432 2.977 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)COC(C)C)CC2)cc1 ZINC000800218357 1293961747 /nfs/dbraw/zinc/96/17/47/1293961747.db2.gz QDYAPLQAPUVLDO-GOSISDBHSA-N 1 0 349.519 2.610 20 10 EFCDRO O=C(NC1CC[NH+](Cc2ccc(O)c(O)c2)CC1)c1ccccc1F ZINC001203881855 1313040789 /nfs/dbraw/zinc/04/07/89/1313040789.db2.gz VFRVYKMZTMISDS-UHFFFAOYSA-N 1 0 344.386 2.631 20 10 EFCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(O)c(O)c2)[C@H]1c1ccccc1 ZINC001203883303 1313040931 /nfs/dbraw/zinc/04/09/31/1313040931.db2.gz HLVKLBREYCDEPN-YJBOKZPZSA-N 1 0 327.380 2.834 20 10 EFCDRO COc1cc(OC2CC[NH+](Cc3ccc(O)c(O)c3)CC2)ccn1 ZINC001203884097 1313041199 /nfs/dbraw/zinc/04/11/99/1313041199.db2.gz RTSGZCVPBMKDAN-UHFFFAOYSA-N 1 0 330.384 2.545 20 10 EFCDRO CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000884202934 1294045489 /nfs/dbraw/zinc/04/54/89/1294045489.db2.gz LOXFVWZSYMSSNA-QAPCUYQASA-N 1 0 347.503 2.710 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)cc1 ZINC001203933140 1313050719 /nfs/dbraw/zinc/05/07/19/1313050719.db2.gz HWJFEVXDMIHIBL-VQTJNVASSA-N 1 0 330.472 2.913 20 10 EFCDRO C[C@@H]([NH2+]CCC(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000134158728 1294081933 /nfs/dbraw/zinc/08/19/33/1294081933.db2.gz ZESNTGIGKDJBLX-MRXNPFEDSA-N 1 0 345.487 2.623 20 10 EFCDRO CN(C)c1ccc(CN2CCn3cc(C[NH+]4CCCC4)nc3C2)cc1 ZINC001203932098 1313049841 /nfs/dbraw/zinc/04/98/41/1313049841.db2.gz RNNGGLAMOFYHAO-UHFFFAOYSA-N 1 0 339.487 2.561 20 10 EFCDRO CN(C)c1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC001203930557 1313049990 /nfs/dbraw/zinc/04/99/90/1313049990.db2.gz YRIMRAGLSMNIQI-NNZMDNLPSA-N 1 0 345.487 2.955 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)C(=O)NC[C@@H]3c2ccccc2)cc1 ZINC001203932030 1313050168 /nfs/dbraw/zinc/05/01/68/1313050168.db2.gz OVELEOHGDSBTGG-IFMALSPDSA-N 1 0 349.478 2.858 20 10 EFCDRO CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(N(C)C)cc3)CC[C@@H]21 ZINC001203932986 1313050384 /nfs/dbraw/zinc/05/03/84/1313050384.db2.gz FNQKEGQIFRBUOB-HKUYNNGSSA-N 1 0 329.488 2.831 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)cc1 ZINC001203932301 1313050904 /nfs/dbraw/zinc/05/09/04/1313050904.db2.gz YHMCAMWOXXWHPZ-QZTJIDSGSA-N 1 0 337.471 2.501 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)cc1 ZINC001203932932 1313050923 /nfs/dbraw/zinc/05/09/23/1313050923.db2.gz DPILKUWPKVKXIW-NNZMDNLPSA-N 1 0 341.499 2.879 20 10 EFCDRO COc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)nc1 ZINC001203936760 1313051209 /nfs/dbraw/zinc/05/12/09/1313051209.db2.gz MSNVSOPGEZFNGD-GOSISDBHSA-N 1 0 327.428 2.810 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)OC(=O)c2ncccc23)cc1 ZINC001203936642 1313051519 /nfs/dbraw/zinc/05/15/19/1313051519.db2.gz GOAFWFSCYFUBIP-UHFFFAOYSA-N 1 0 337.423 2.809 20 10 EFCDRO Cc1cc(OC2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)ncn1 ZINC001203937590 1313051753 /nfs/dbraw/zinc/05/17/53/1313051753.db2.gz YTNKWLWCBSEVRY-UHFFFAOYSA-N 1 0 326.444 2.894 20 10 EFCDRO CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC001203942890 1313052378 /nfs/dbraw/zinc/05/23/78/1313052378.db2.gz XHKQDHMKWXQPQJ-LJQANCHMSA-N 1 0 347.503 2.650 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCN(c3cc(C)ncn3)CC2)cc1 ZINC001203943925 1313052950 /nfs/dbraw/zinc/05/29/50/1313052950.db2.gz IPZWDXHHKSBKFD-UHFFFAOYSA-N 1 0 339.487 2.953 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)cc1 ZINC001203946810 1313053045 /nfs/dbraw/zinc/05/30/45/1313053045.db2.gz XLMXJJSFISSNMB-GOSISDBHSA-N 1 0 326.444 2.976 20 10 EFCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)cc1 ZINC001203932359 1313050885 /nfs/dbraw/zinc/05/08/85/1313050885.db2.gz ZKJAPGBYMZGBLB-CALCHBBNSA-N 1 0 342.512 2.773 20 10 EFCDRO C[C@@H](F)CC[NH2+]C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001203998958 1313062141 /nfs/dbraw/zinc/06/21/41/1313062141.db2.gz GMMRQPBKOGQZCT-GFCCVEGCSA-N 1 0 349.410 2.791 20 10 EFCDRO CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000775726694 1294295153 /nfs/dbraw/zinc/29/51/53/1294295153.db2.gz WUDQAYAGPSGFTJ-HNNXBMFYSA-N 1 0 326.868 2.978 20 10 EFCDRO [NH3+]C[C@@H]1CN(Cc2cccc(OC(F)(F)F)c2O)CCC1(F)F ZINC001205788691 1294377297 /nfs/dbraw/zinc/37/72/97/1294377297.db2.gz PTTVFBUVIRPODD-SNVBAGLBSA-N 1 0 340.292 2.707 20 10 EFCDRO C[NH+]1CCN(c2ccc(NCc3cccc(Cl)c3O)cn2)CC1 ZINC000775759308 1294459664 /nfs/dbraw/zinc/45/96/64/1294459664.db2.gz SYRDBGAHHUXMSR-UHFFFAOYSA-N 1 0 332.835 2.805 20 10 EFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000303485817 1294514599 /nfs/dbraw/zinc/51/45/99/1294514599.db2.gz QYXGEJATKMTCDI-GOSISDBHSA-N 1 0 344.503 2.743 20 10 EFCDRO CC(C)NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001276359116 1294610252 /nfs/dbraw/zinc/61/02/52/1294610252.db2.gz GGZHXNITUYBUSR-LJQANCHMSA-N 1 0 349.450 2.937 20 10 EFCDRO c1csc(SCCC[NH2+][C@@H]2CCOC3(CCOCC3)C2)n1 ZINC000885992112 1294610414 /nfs/dbraw/zinc/61/04/14/1294610414.db2.gz APAPJJKZYDMNAQ-CYBMUJFWSA-N 1 0 328.503 2.943 20 10 EFCDRO CC(=O)N1CCC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204232910 1313105433 /nfs/dbraw/zinc/10/54/33/1313105433.db2.gz LPZCNHUCRLZVTI-UHFFFAOYSA-N 1 0 325.456 2.960 20 10 EFCDRO CNC(=O)C1CC[NH+](Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204233730 1313105537 /nfs/dbraw/zinc/10/55/37/1313105537.db2.gz UXKOMPMESRSERW-UHFFFAOYSA-N 1 0 325.456 2.864 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)c2ccccc21 ZINC001204235108 1313106018 /nfs/dbraw/zinc/10/60/18/1313106018.db2.gz GDPLMWMSIBCFBK-ONGXBYRLSA-N 1 0 340.467 2.878 20 10 EFCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CCCO1 ZINC001204240182 1313106920 /nfs/dbraw/zinc/10/69/20/1313106920.db2.gz KLLGULHWLCWQAS-LJQANCHMSA-N 1 0 342.439 2.670 20 10 EFCDRO COc1ccc(Br)c(CN2C[C@H](C)CC[C@H]2C[NH3+])c1O ZINC001205827634 1294910138 /nfs/dbraw/zinc/91/01/38/1294910138.db2.gz HTMNBFNAHGSJMM-MNOVXSKESA-N 1 0 343.265 2.723 20 10 EFCDRO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccc(O)cc1O ZINC001204272310 1313112718 /nfs/dbraw/zinc/11/27/18/1313112718.db2.gz NFOJJXHRXGJXOB-CQSZACIVSA-N 1 0 330.403 2.943 20 10 EFCDRO Oc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)c(O)c1 ZINC001204274566 1313113351 /nfs/dbraw/zinc/11/33/51/1313113351.db2.gz PBNTUHZFEWENEF-CJNGLKHVSA-N 1 0 345.468 2.651 20 10 EFCDRO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]2Cc1ccc(O)cc1O ZINC001204276608 1313114289 /nfs/dbraw/zinc/11/42/89/1313114289.db2.gz OJBXRELUWWUSOL-UHFFFAOYSA-N 1 0 334.416 2.683 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(O)cc3O)C2)C1 ZINC001204277207 1313115068 /nfs/dbraw/zinc/11/50/68/1313115068.db2.gz WHYZATUIOHREJI-IBGZPJMESA-N 1 0 348.443 2.931 20 10 EFCDRO C[C@H]1C[NH+](Cc2ccc(O)cc2O)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001204277609 1313115345 /nfs/dbraw/zinc/11/53/45/1313115345.db2.gz GTTOWUKSFPPJIN-STQMWFEESA-N 1 0 336.432 2.928 20 10 EFCDRO COc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775833722 1294963679 /nfs/dbraw/zinc/96/36/79/1294963679.db2.gz KYPJTWALPBCFFS-HNNXBMFYSA-N 1 0 341.455 2.728 20 10 EFCDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@H]12 ZINC001204282716 1313116031 /nfs/dbraw/zinc/11/60/31/1313116031.db2.gz TZFDVEKIJOOPCH-UHOFOFEASA-N 1 0 348.443 2.833 20 10 EFCDRO c1cnc(N2CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)CC2)nc1 ZINC001204322338 1313122617 /nfs/dbraw/zinc/12/26/17/1313122617.db2.gz QQJQOFBJRKOLJU-UHFFFAOYSA-N 1 0 337.471 2.789 20 10 EFCDRO O=C1CCCN1C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204328623 1313123248 /nfs/dbraw/zinc/12/32/48/1313123248.db2.gz KWEXYAGZNDXTIE-UHFFFAOYSA-N 1 0 327.472 2.874 20 10 EFCDRO COC[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)Cc2cn(C)nc21 ZINC001204327868 1313123515 /nfs/dbraw/zinc/12/35/15/1313123515.db2.gz KVHCIMKSXFUWRS-SFHVURJKSA-N 1 0 340.471 2.766 20 10 EFCDRO c1ccc(CN2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)nc1 ZINC001204327825 1313123581 /nfs/dbraw/zinc/12/35/81/1313123581.db2.gz JMLYBIHGLIETJZ-UHFFFAOYSA-N 1 0 336.483 3.000 20 10 EFCDRO CC[NH+](CC)C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001204329357 1313123806 /nfs/dbraw/zinc/12/38/06/1313123806.db2.gz NUHBMQRELJIRKR-HXUWFJFHSA-N 1 0 331.504 2.829 20 10 EFCDRO COc1cc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)cc(O)c1O ZINC001204341409 1313125620 /nfs/dbraw/zinc/12/56/20/1313125620.db2.gz BTUSWPVXZBPPNH-INIZCTEOSA-N 1 0 328.412 2.595 20 10 EFCDRO COc1cc(Br)cc(CN2CC[N@H+](C)C(C)(C)C2)c1O ZINC001204339975 1313125778 /nfs/dbraw/zinc/12/57/78/1313125778.db2.gz ZUCNFPFZSGFSHC-UHFFFAOYSA-N 1 0 343.265 2.689 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cc(O)c1O ZINC001204344130 1313126173 /nfs/dbraw/zinc/12/61/73/1313126173.db2.gz ZFFRAJVJIYNSGM-HNNXBMFYSA-N 1 0 333.359 2.899 20 10 EFCDRO C[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)c1cc(Br)ccc1O ZINC000886669887 1295097770 /nfs/dbraw/zinc/09/77/70/1295097770.db2.gz GHTAEZFWYHVTCK-WCFLWFBJSA-N 1 0 344.249 2.735 20 10 EFCDRO COc1cc(CN2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cc(O)c1O ZINC001204346434 1313127223 /nfs/dbraw/zinc/12/72/23/1313127223.db2.gz PKVJUYLVOQFBKC-JKSUJKDBSA-N 1 0 334.460 2.945 20 10 EFCDRO COc1cc(CN(C)CC[N@H+](C)Cc2ccccc2)cc(O)c1O ZINC001204349146 1313127231 /nfs/dbraw/zinc/12/72/31/1313127231.db2.gz QKCABWUECDCGHU-UHFFFAOYSA-N 1 0 330.428 2.670 20 10 EFCDRO CCCc1noc([C@@H]2CCC[N@H+](Cc3cc(O)c(O)c(OC)c3)C2)n1 ZINC001204346013 1313127247 /nfs/dbraw/zinc/12/72/47/1313127247.db2.gz JHMDLOZMIWSFIA-CYBMUJFWSA-N 1 0 347.415 2.822 20 10 EFCDRO CCCCN1C(=O)C[C@]2(CCC[N@H+](Cc3cccc(C)c3O)C2)C1=O ZINC001273769894 1295178434 /nfs/dbraw/zinc/17/84/34/1295178434.db2.gz NUHXDCYKFZSWDD-FQEVSTJZSA-N 1 0 344.455 2.842 20 10 EFCDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c(O)ccc4ccc(OC)cc43)C[C@@H]21 ZINC001234561919 1313157839 /nfs/dbraw/zinc/15/78/39/1313157839.db2.gz GHFRKXJHUVSOAE-DZFIZOCASA-N 1 0 341.407 2.795 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@H+](C)C3CCS(=O)(=O)CC3)c2c1 ZINC001234562180 1313158580 /nfs/dbraw/zinc/15/85/80/1313158580.db2.gz JKQQOXGRRNXGDV-UHFFFAOYSA-N 1 0 349.452 2.563 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@H+](C)[C@H]3CCCN(C(C)=O)C3)c2c1 ZINC001234570112 1313160258 /nfs/dbraw/zinc/16/02/58/1313160258.db2.gz XOLZGLRZHAGOHO-INIZCTEOSA-N 1 0 342.439 2.997 20 10 EFCDRO Cc1cc(Br)cc(CN2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1O ZINC000775986613 1295562480 /nfs/dbraw/zinc/56/24/80/1295562480.db2.gz RGCABUBLSWIAFF-NWDGAFQWSA-N 1 0 327.266 2.988 20 10 EFCDRO Cc1cc(Br)cc(CN2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1O ZINC000775986612 1295562323 /nfs/dbraw/zinc/56/23/23/1295562323.db2.gz RGCABUBLSWIAFF-NEPJUHHUSA-N 1 0 327.266 2.988 20 10 EFCDRO COc1cc(Br)cc(CN2C[C@H](C)[N@H+](C)C[C@H]2C)c1O ZINC000775984901 1295562552 /nfs/dbraw/zinc/56/25/52/1295562552.db2.gz HSMNOIJVXHEHBM-WDEREUQCSA-N 1 0 343.265 2.688 20 10 EFCDRO COc1cc(Br)cc(CN2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1O ZINC000775987828 1295589583 /nfs/dbraw/zinc/58/95/83/1295589583.db2.gz WKWMKZRNTSUNMA-QWRGUYRKSA-N 1 0 343.265 2.688 20 10 EFCDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000775992519 1295622372 /nfs/dbraw/zinc/62/23/72/1295622372.db2.gz HAMFGLQIBJADNR-YJBOKZPZSA-N 1 0 337.391 2.945 20 10 EFCDRO CC[NH+]1CCN(c2ccc(O[C@H]3C[C@@](C)(C(=O)OC)C3)cc2)CC1 ZINC001234659976 1313179378 /nfs/dbraw/zinc/17/93/78/1313179378.db2.gz AWNSGYJEPOITCX-IZAXUBKRSA-N 1 0 332.444 2.549 20 10 EFCDRO CCOC(=O)[C@@H]1CCC[C@H]1Oc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001234658017 1313179394 /nfs/dbraw/zinc/17/93/94/1313179394.db2.gz QWCYYBBDVRZNJV-RTBURBONSA-N 1 0 346.471 2.939 20 10 EFCDRO CC[NH+]1CCN(c2ccc(OC[C@H](C)OC[C@H](C)OC)cc2)CC1 ZINC001234661924 1313180099 /nfs/dbraw/zinc/18/00/99/1313180099.db2.gz XKKILFXHJIBXLJ-IRXDYDNUSA-N 1 0 336.476 2.647 20 10 EFCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000304915677 1295777287 /nfs/dbraw/zinc/77/72/87/1295777287.db2.gz YRJZKRNZUZNGEN-HOTGVXAUSA-N 1 0 334.213 2.903 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC3(C4CCC4)CC3)cc2)CC1 ZINC000889661092 1295792229 /nfs/dbraw/zinc/79/22/29/1295792229.db2.gz QSTHUNWBHWQIBZ-UHFFFAOYSA-N 1 0 342.487 2.570 20 10 EFCDRO C[C@@H]1CCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000889669399 1295794630 /nfs/dbraw/zinc/79/46/30/1295794630.db2.gz INQSVJBOEFZMBC-QGZVFWFLSA-N 1 0 344.503 2.770 20 10 EFCDRO CCCC(C)(C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889669507 1295794748 /nfs/dbraw/zinc/79/47/48/1295794748.db2.gz LPUUOGDPHIRWQB-UHFFFAOYSA-N 1 0 332.492 2.816 20 10 EFCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000305112865 1295912204 /nfs/dbraw/zinc/91/22/04/1295912204.db2.gz DOUDMBIQHLNYHQ-UXLLHSPISA-N 1 0 336.451 2.864 20 10 EFCDRO COC[C@H](C)C(=O)N1CCC(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001204773473 1313193694 /nfs/dbraw/zinc/19/36/94/1313193694.db2.gz VNMXBJSBNPVPOB-INIZCTEOSA-N 1 0 348.487 2.614 20 10 EFCDRO [NH3+][C@H]1CN(Cc2c(O)ccc3cc(Br)ccc32)C[C@@H]1F ZINC001204890150 1313206356 /nfs/dbraw/zinc/20/63/56/1313206356.db2.gz DFYOWPQDDWIKSY-KBPBESRZSA-N 1 0 339.208 2.789 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001234971716 1313214683 /nfs/dbraw/zinc/21/46/83/1313214683.db2.gz SOSVCNKLOGZIGI-UYAOXDASSA-N 1 0 325.456 2.514 20 10 EFCDRO COC(=O)N1CC[NH+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234990407 1313217743 /nfs/dbraw/zinc/21/77/43/1313217743.db2.gz GTDSOEQZEVSVLT-UHFFFAOYSA-N 1 0 326.396 2.943 20 10 EFCDRO Oc1c(C[NH+]2CCN([C@H]3CCOC3)CC2)cccc1-c1ccccc1 ZINC001234990315 1313218193 /nfs/dbraw/zinc/21/81/93/1313218193.db2.gz GDJCQIIUCBJGRC-IBGZPJMESA-N 1 0 338.451 2.966 20 10 EFCDRO C[C@]1(CO)C[N@H+](Cc2cccc(-c3ccccc3)c2O)CC[C@@H]1O ZINC001235001486 1313220376 /nfs/dbraw/zinc/22/03/76/1313220376.db2.gz NDOMOTGWTCMYDX-AZUAARDMSA-N 1 0 327.424 2.624 20 10 EFCDRO Cc1cc(CN2CCO[C@@H]3CC[NH2+]C[C@@H]32)c(C)n1-c1ccccc1 ZINC001235006496 1313221843 /nfs/dbraw/zinc/22/18/43/1313221843.db2.gz PBRXFQMKDMWLLB-VQTJNVASSA-N 1 0 325.456 2.657 20 10 EFCDRO CCOc1ccc(N2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)cc1 ZINC001274799646 1296173935 /nfs/dbraw/zinc/17/39/35/1296173935.db2.gz SSPBCQILIQKBDJ-HXUWFJFHSA-N 1 0 345.487 2.608 20 10 EFCDRO COc1ccc(N2CCC[C@@]3(CCN(C4COC4)C3=O)CC2)c(C)c1 ZINC001274874176 1296199031 /nfs/dbraw/zinc/19/90/31/1296199031.db2.gz UKXNSQVDZVASBZ-FQEVSTJZSA-N 1 0 344.455 2.611 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2CCOC2)cc1C ZINC000959908599 1296222444 /nfs/dbraw/zinc/22/24/44/1296222444.db2.gz IQPLKJVGZNQIIN-MSOLQXFVSA-N 1 0 346.471 2.511 20 10 EFCDRO Oc1ccccc1C[NH+]1CC2(CCN2Cc2nc3ccccc3[nH]2)C1 ZINC001275267385 1296246147 /nfs/dbraw/zinc/24/61/47/1296246147.db2.gz MMKAYNJXGRBMDF-UHFFFAOYSA-N 1 0 334.423 2.729 20 10 EFCDRO COc1ccc(Br)c(CN2CCC[C@@](C)([NH3+])CC2)c1O ZINC001205280766 1313263714 /nfs/dbraw/zinc/26/37/14/1313263714.db2.gz IHQXSZJDFWHQLA-OAHLLOKOSA-N 1 0 343.265 2.867 20 10 EFCDRO Oc1ccc(F)c(Cl)c1CN1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235230880 1313270542 /nfs/dbraw/zinc/27/05/42/1313270542.db2.gz LHRNQFRLMBULHS-SDBXPKJASA-N 1 0 338.732 2.768 20 10 EFCDRO C[NH+]1CCC2(C[NH+](Cc3cc(F)cc(Br)c3[O-])C2)CC1 ZINC001235306912 1313286934 /nfs/dbraw/zinc/28/69/34/1313286934.db2.gz YUYDMIHVQNBWRK-UHFFFAOYSA-N 1 0 343.240 2.821 20 10 EFCDRO [NH3+]C[C@]1(F)CCC[N@H+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001205591306 1313319172 /nfs/dbraw/zinc/31/91/72/1313319172.db2.gz KEZPSUOTTHROIU-AWEZNQCLSA-N 1 0 336.329 2.944 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@]34CCN(C)C4=O)c2c1 ZINC001273904151 1297053776 /nfs/dbraw/zinc/05/37/76/1297053776.db2.gz BGBRGUNQIWQECX-HXUWFJFHSA-N 1 0 340.423 2.751 20 10 EFCDRO COc1cc(O)c(C[NH2+]CCCC(=O)OC(C)(C)C)cc1OC ZINC000776221548 1297136329 /nfs/dbraw/zinc/13/63/29/1297136329.db2.gz XBNAETPVVWHOJK-UHFFFAOYSA-N 1 0 325.405 2.621 20 10 EFCDRO CC(C)[N@@H+]1CCC[C@@]2(CC(=O)N(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001273924230 1297209128 /nfs/dbraw/zinc/20/91/28/1297209128.db2.gz GMIMOPXKQIPAPI-HXUWFJFHSA-N 1 0 343.471 2.502 20 10 EFCDRO Cc1cc(O)c(CN2CCC(F)(F)[C@H](C[NH3+])C2)cc1Br ZINC001205797076 1313357735 /nfs/dbraw/zinc/35/77/35/1313357735.db2.gz YQZYZISWWFSSPB-LLVKDONJSA-N 1 0 349.219 2.879 20 10 EFCDRO F[C@@H]1CCCN(Cc2ccc(N3CC[NH2+]CC3)cc2)CC1(F)F ZINC001205796845 1313357786 /nfs/dbraw/zinc/35/77/86/1313357786.db2.gz UQKPOWLQALXQCX-MRXNPFEDSA-N 1 0 327.394 2.665 20 10 EFCDRO Nc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC001235599365 1313358145 /nfs/dbraw/zinc/35/81/45/1313358145.db2.gz YJPIFRFKFXPFGP-QUCCMNQESA-N 1 0 341.430 2.745 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3CCOC[C@@H]3[NH3+])n2)cc1 ZINC001205806928 1313359625 /nfs/dbraw/zinc/35/96/25/1313359625.db2.gz WYRMXTHTNHHYBU-SJORKVTESA-N 1 0 338.411 2.975 20 10 EFCDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001205842957 1313364424 /nfs/dbraw/zinc/36/44/24/1313364424.db2.gz QGDWDHLTKQZDPM-PBHICJAKSA-N 1 0 337.895 2.736 20 10 EFCDRO COCCC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C12CCC2 ZINC001202281869 1297322579 /nfs/dbraw/zinc/32/25/79/1297322579.db2.gz VITWUEWCVBYBEL-QZTJIDSGSA-N 1 0 346.471 2.557 20 10 EFCDRO CC(C)(C)c1ccc(C[NH+]2CCN(c3ncccn3)CC2)c(O)c1 ZINC001235676438 1313372104 /nfs/dbraw/zinc/37/21/04/1313372104.db2.gz SNOXKHVGFAJDFD-UHFFFAOYSA-N 1 0 326.444 2.802 20 10 EFCDRO CCO[C@@H]1C[C@H]2CN(Cc3ccc(C(C)(C)C)cc3O)CC[N@@H+]2C1 ZINC001235681014 1313373135 /nfs/dbraw/zinc/37/31/35/1313373135.db2.gz YQKOFMFLJIFLTB-ZWKOTPCHSA-N 1 0 332.488 2.985 20 10 EFCDRO CC(C)(C)c1ccc(CN2CCO[C@H](C[NH+]3CCCC3)C2)c(O)c1 ZINC001235682557 1313374095 /nfs/dbraw/zinc/37/40/95/1313374095.db2.gz YRBQAJGSCVIKEK-GOSISDBHSA-N 1 0 332.488 2.986 20 10 EFCDRO CC(C)(C)c1ccc(CN2CC[NH+](C3CCOCC3)CC2)c(O)c1 ZINC001235683394 1313374200 /nfs/dbraw/zinc/37/42/00/1313374200.db2.gz FOPULENOSAWJLR-UHFFFAOYSA-N 1 0 332.488 2.986 20 10 EFCDRO CC(C)(C)c1ccc(C[NH+]2CCN(C[C@@H]3CCCO3)CC2)c(O)c1 ZINC001235686045 1313375436 /nfs/dbraw/zinc/37/54/36/1313375436.db2.gz WSYPIJIYNBOKRM-SFHVURJKSA-N 1 0 332.488 2.986 20 10 EFCDRO COCCCN(Cc1cc(Cl)c(C)cc1O)[C@H]1CCC[NH2+]C1 ZINC001235808297 1313402268 /nfs/dbraw/zinc/40/22/68/1313402268.db2.gz ZWFJNCGNOXOUBJ-HNNXBMFYSA-N 1 0 326.868 2.945 20 10 EFCDRO Fc1ccc2c(c1)C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)CC2 ZINC001235905932 1313416389 /nfs/dbraw/zinc/41/63/89/1313416389.db2.gz KHBCBYCUFMBQBP-UHFFFAOYSA-N 1 0 325.431 2.794 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[C@H]([NH3+])C(F)(F)C2)c(OC)c1 ZINC001235912121 1313416429 /nfs/dbraw/zinc/41/64/29/1313416429.db2.gz PZGKXHXLPQIQOO-INIZCTEOSA-N 1 0 327.419 2.710 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@@H]([NH3+])CC[C@@H]2C)c2ccccc2n1C ZINC001235909164 1313416469 /nfs/dbraw/zinc/41/64/69/1313416469.db2.gz ZVCVVTVKOPPWEZ-KBPBESRZSA-N 1 0 329.444 2.667 20 10 EFCDRO [NH3+][C@]12CC[C@H]1CN(Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC001235998176 1313429687 /nfs/dbraw/zinc/42/96/87/1313429687.db2.gz XOGJKHAWSGZMDU-ZANVPECISA-N 1 0 331.641 2.731 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@H]3COC[C@@H](C2)N3)cc1 ZINC001235998330 1313429700 /nfs/dbraw/zinc/42/97/00/1313429700.db2.gz YDKHNDQHWZVJGJ-RBUKOAKNSA-N 1 0 325.456 2.657 20 10 EFCDRO CCN(Cc1c2ccccc2n(C)c1C(=O)OC)[C@H]1CCC[NH2+]C1 ZINC001236009149 1313430549 /nfs/dbraw/zinc/43/05/49/1313430549.db2.gz XINYPXLYDKSMCN-AWEZNQCLSA-N 1 0 329.444 2.539 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c2ccccc2n1C ZINC001235958665 1313423186 /nfs/dbraw/zinc/42/31/86/1313423186.db2.gz APCDUVAOXFWLJN-ZSBFGKGUSA-N 1 0 341.455 2.524 20 10 EFCDRO CCOC(=O)c1c(CN(CC)[C@H]2CC[NH2+]C2)c2ccccc2n1C ZINC001235969376 1313424776 /nfs/dbraw/zinc/42/47/76/1313424776.db2.gz CEFRJIVREWKLKE-AWEZNQCLSA-N 1 0 329.444 2.539 20 10 EFCDRO Cc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1Br ZINC001236060781 1313436088 /nfs/dbraw/zinc/43/60/88/1313436088.db2.gz TUIBMVZWVPSBSQ-AAEUAGOBSA-N 1 0 325.250 2.647 20 10 EFCDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001236132105 1313445413 /nfs/dbraw/zinc/44/54/13/1313445413.db2.gz DGIBXXAURAWLSZ-MRXNPFEDSA-N 1 0 337.895 2.751 20 10 EFCDRO CCC[C@@H]1C[NH2+]CCN1Cc1c(Br)ccc(OC)c1O ZINC001236133412 1313445553 /nfs/dbraw/zinc/44/55/53/1313445553.db2.gz VUQGGYXEEMWDNH-LLVKDONJSA-N 1 0 343.265 2.737 20 10 EFCDRO CCCN(Cc1c2ccccc2n(C)c1C(=O)OC)C1CC[NH2+]CC1 ZINC001236184763 1313453277 /nfs/dbraw/zinc/45/32/77/1313453277.db2.gz OADJBENQYMMKSX-UHFFFAOYSA-N 1 0 343.471 2.929 20 10 EFCDRO [NH3+][C@H]1C[C@H](F)CN(Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001206447639 1313456059 /nfs/dbraw/zinc/45/60/59/1313456059.db2.gz YPCFHIHVSLXOAF-IRXDYDNUSA-N 1 0 330.403 2.842 20 10 EFCDRO COc1cccc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c1O ZINC000189617745 1298034283 /nfs/dbraw/zinc/03/42/83/1298034283.db2.gz MLZCDPUQWWXUGS-SWLSCSKDSA-N 1 0 333.350 2.974 20 10 EFCDRO Oc1ccc2cc(Br)ccc2c1CN1C[C@@H]2[NH2+]C[C@H]2C1 ZINC001236286362 1313465289 /nfs/dbraw/zinc/46/52/89/1313465289.db2.gz MWMJSUYRXGNHGI-NHYWBVRUSA-N 1 0 333.229 2.712 20 10 EFCDRO Oc1c(CN2CCC[C@H]([NH2+]C3CC3)C2)cc2c3c1CCCN3CCC2 ZINC001236216077 1313456952 /nfs/dbraw/zinc/45/69/52/1313456952.db2.gz IKLMSBFKPCCRQJ-SFHVURJKSA-N 1 0 341.499 2.807 20 10 EFCDRO Oc1cccc(Br)c1CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236217853 1313457429 /nfs/dbraw/zinc/45/74/29/1313457429.db2.gz HNGKHMACYLOGJU-LBPRGKRZSA-N 1 0 325.250 2.871 20 10 EFCDRO CCCN(Cc1c(Br)ccc(OC)c1O)[C@H]1CC[NH2+]C1 ZINC001236323692 1313469658 /nfs/dbraw/zinc/46/96/58/1313469658.db2.gz JRLYJKMBFDSTFU-NSHDSACASA-N 1 0 343.265 2.737 20 10 EFCDRO CCCN(Cc1cc(OC)c(Br)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236324564 1313469948 /nfs/dbraw/zinc/46/99/48/1313469948.db2.gz RRDCQLZMDCBQNG-GFCCVEGCSA-N 1 0 343.265 2.737 20 10 EFCDRO COCCN(Cc1cc(C)n(-c2ccccc2)c1C)[C@H]1CC[NH2+]C1 ZINC001236332601 1313471277 /nfs/dbraw/zinc/47/12/77/1313471277.db2.gz HACOOQZWDSUMKZ-FQEVSTJZSA-N 1 0 327.472 2.904 20 10 EFCDRO Nc1cc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc[nH+]1 ZINC001206567737 1313477693 /nfs/dbraw/zinc/47/76/93/1313477693.db2.gz CUJFXNAXOIZPEJ-UHFFFAOYSA-N 1 0 331.331 2.888 20 10 EFCDRO CCCCN(CCCC)c1ccc(CN2C[C@@H]([NH3+])C[C@@H]2CO)c(O)c1 ZINC001236424907 1313478959 /nfs/dbraw/zinc/47/89/59/1313478959.db2.gz ZFCSXYNCJCMWMN-PKOBYXMFSA-N 1 0 349.519 2.693 20 10 EFCDRO CCOCCN(Cc1ccc(N(C)C)cc1Cl)C1CC[NH2+]CC1 ZINC001236462728 1313483616 /nfs/dbraw/zinc/48/36/16/1313483616.db2.gz VQRPTXZVBYYAIA-UHFFFAOYSA-N 1 0 339.911 2.997 20 10 EFCDRO CC(C)N(Cc1cc(Br)c(F)cc1[O-])[C@H]1CC[NH2+]C1 ZINC001236531173 1313488920 /nfs/dbraw/zinc/48/89/20/1313488920.db2.gz VRIRCZVROFERGM-NSHDSACASA-N 1 0 331.229 2.866 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2CCC[C@@H]3C[N@@H+](C)C[C@H]32)c1 ZINC001236666923 1313505667 /nfs/dbraw/zinc/50/56/67/1313505667.db2.gz XKFNJVBEITYWGF-IUODEOHRSA-N 1 0 339.277 2.989 20 10 EFCDRO Cc1cc(Br)c([O-])c(C[NH+]2CCC3(C[NH+](C)C3)CC2)c1 ZINC001236670172 1313506689 /nfs/dbraw/zinc/50/66/89/1313506689.db2.gz VOJZNLBQNOJBMN-UHFFFAOYSA-N 1 0 339.277 2.991 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001236668262 1313506813 /nfs/dbraw/zinc/50/68/13/1313506813.db2.gz BKNLXRHDTVFDQC-UHFFFAOYSA-N 1 0 327.266 2.989 20 10 EFCDRO CC(=O)N1CCN(Cc2cc(C)cc(Br)c2O)C[C@H]1C ZINC001236670127 1313506924 /nfs/dbraw/zinc/50/69/24/1313506924.db2.gz UPYXUCOLBINNMI-LLVKDONJSA-N 1 0 341.249 2.516 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)c(O)cc1Br ZINC001236744697 1313520343 /nfs/dbraw/zinc/52/03/43/1313520343.db2.gz BQOCLZFTFNGSQN-BONVTDFDSA-N 1 0 344.249 2.756 20 10 EFCDRO CC(C)[N@H+](C)[C@H]1CCN(Cc2cc(O)c(Br)cc2O)C1 ZINC001236763114 1313524801 /nfs/dbraw/zinc/52/48/01/1313524801.db2.gz WFAUIEDZCRNZAL-LBPRGKRZSA-N 1 0 343.265 2.775 20 10 EFCDRO COc1cc(CN2CC[NH+](C(C)C)CC2)c(O)cc1Br ZINC001236745053 1313520723 /nfs/dbraw/zinc/52/07/23/1313520723.db2.gz LRXIHSQGZVKQHY-UHFFFAOYSA-N 1 0 343.265 2.689 20 10 EFCDRO COc1cc(C[NH+]2CCC(OC)CC2)c(O)cc1Br ZINC001236745888 1313521021 /nfs/dbraw/zinc/52/10/21/1313521021.db2.gz TWTDTAAHLFCRAC-UHFFFAOYSA-N 1 0 330.222 2.774 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@](C)(O)CC2)c(O)cc1Br ZINC001236745882 1313521135 /nfs/dbraw/zinc/52/11/35/1313521135.db2.gz TUAMNWZENWCZMJ-OAHLLOKOSA-N 1 0 344.249 2.900 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)c(O)cc1Br ZINC001236744708 1313521326 /nfs/dbraw/zinc/52/13/26/1313521326.db2.gz BVXCVOZGGQVSLO-ZWNOBZJWSA-N 1 0 344.249 2.756 20 10 EFCDRO O=C1CCC[C@H]2C[N@@H+](Cc3cc(O)c(Br)cc3O)C[C@H]12 ZINC001236763744 1313524822 /nfs/dbraw/zinc/52/48/22/1313524822.db2.gz CCSJGYJBPWSYOI-ONGXEEELSA-N 1 0 340.217 2.661 20 10 EFCDRO COc1cc(C[N@@H+]2CCCC[C@H](O)C2)c(O)cc1Br ZINC001236748986 1313521670 /nfs/dbraw/zinc/52/16/70/1313521670.db2.gz XQMNCCXCVZWTRB-NSHDSACASA-N 1 0 330.222 2.510 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(Oc3ccncc3)CC2)cc1OC ZINC001236749796 1313521863 /nfs/dbraw/zinc/52/18/63/1313521863.db2.gz MMRGEJZESCYEHJ-UHFFFAOYSA-N 1 0 344.411 2.848 20 10 EFCDRO COc1cc(CN(C)CC[NH+]2CCCC2)c(O)cc1Br ZINC001236749310 1313521954 /nfs/dbraw/zinc/52/19/54/1313521954.db2.gz BBZVMCZVSZQECU-UHFFFAOYSA-N 1 0 343.265 2.691 20 10 EFCDRO CCOC(=O)[C@H]1C[C@H](C)CCN1Cc1cc(OC)c(OC)cc1O ZINC001236752328 1313522267 /nfs/dbraw/zinc/52/22/67/1313522267.db2.gz OISWKIYOJBDLKU-TZMCWYRMSA-N 1 0 337.416 2.573 20 10 EFCDRO CCc1noc([C@H]2CCC[N@H+](Cc3cc(OC)c(OC)cc3O)C2)n1 ZINC001236751394 1313522429 /nfs/dbraw/zinc/52/24/29/1313522429.db2.gz BOEHIJLGMSHKPV-LBPRGKRZSA-N 1 0 347.415 2.734 20 10 EFCDRO CCCCOC(=O)[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001236753333 1313522461 /nfs/dbraw/zinc/52/24/61/1313522461.db2.gz LWNIGRJCCLHWTE-ZDUSSCGKSA-N 1 0 337.416 2.575 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3cccnc3)C2)cc1OC ZINC001236756146 1313522779 /nfs/dbraw/zinc/52/27/79/1313522779.db2.gz JQUUVIRIRKURAU-MRXNPFEDSA-N 1 0 344.411 2.848 20 10 EFCDRO CC[N@H+](CCn1ccnc1)Cc1cc(O)c(Br)cc1O ZINC001236761260 1313524021 /nfs/dbraw/zinc/52/40/21/1313524021.db2.gz DHPMDAIMEHSKDR-UHFFFAOYSA-N 1 0 340.221 2.579 20 10 EFCDRO CC(C)O[C@H]1CC[N@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236762672 1313524487 /nfs/dbraw/zinc/52/44/87/1313524487.db2.gz QBFNPJVIFSVBOV-NSHDSACASA-N 1 0 330.222 2.860 20 10 EFCDRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2cc(O)c(Br)cc2O)C1 ZINC001236763110 1313524578 /nfs/dbraw/zinc/52/45/78/1313524578.db2.gz WFAUIEDZCRNZAL-GFCCVEGCSA-N 1 0 343.265 2.775 20 10 EFCDRO CCN(CC[NH+]1CCCC1)Cc1cc(O)c(Br)cc1O ZINC001236775006 1313526704 /nfs/dbraw/zinc/52/67/04/1313526704.db2.gz JYEFFZFOJVCRSZ-UHFFFAOYSA-N 1 0 343.265 2.778 20 10 EFCDRO CCc1ccc(C[NH+]2CCN(c3cc(C)nc(C)n3)CC2)c(O)c1 ZINC001236786221 1313528262 /nfs/dbraw/zinc/52/82/62/1313528262.db2.gz DODHOQAOZUXWHH-UHFFFAOYSA-N 1 0 326.444 2.684 20 10 EFCDRO CCc1ccc(C[NH+]2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)c(O)c1 ZINC001236786462 1313528419 /nfs/dbraw/zinc/52/84/19/1313528419.db2.gz DPHWRAAXBVLHGY-OALUTQOASA-N 1 0 337.467 2.913 20 10 EFCDRO CCc1ccc(C[NH+]2CCC(Oc3ncc(F)cn3)CC2)c(O)c1 ZINC001236786432 1313528655 /nfs/dbraw/zinc/52/86/55/1313528655.db2.gz CAGBCUDWUUJHDI-UHFFFAOYSA-N 1 0 331.391 2.927 20 10 EFCDRO CCc1ccc(C[N@@H+]2Cc3cnn(CC)c3[C@H](COC)C2)c(O)c1 ZINC001236786983 1313528760 /nfs/dbraw/zinc/52/87/60/1313528760.db2.gz UBQLEEFKEXPCDE-KRWDZBQOSA-N 1 0 329.444 2.917 20 10 EFCDRO CCc1ccc(C[N@@H+]2CC[C@H]3C[C@@H](c4nc(C)no4)O[C@@H]3C2)c(O)c1 ZINC001236784928 1313528849 /nfs/dbraw/zinc/52/88/49/1313528849.db2.gz DDRXJNVHDFAJBI-JCGIZDLHSA-N 1 0 343.427 2.998 20 10 EFCDRO CCc1ccc(C[NH+]2CCN(c3nc(C)cc(C)n3)CC2)c(O)c1 ZINC001236789768 1313529295 /nfs/dbraw/zinc/52/92/95/1313529295.db2.gz RCLKBCAOLJOOBP-UHFFFAOYSA-N 1 0 326.444 2.684 20 10 EFCDRO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001236787449 1313529532 /nfs/dbraw/zinc/52/95/32/1313529532.db2.gz YEQBJZDOPHSXBC-SFHVURJKSA-N 1 0 340.423 2.811 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCC3(C2)OCCO3)c(Cl)c1 ZINC001236800916 1313530994 /nfs/dbraw/zinc/53/09/94/1313530994.db2.gz ARTMUQXKMZWTQU-LLVKDONJSA-N 1 0 327.808 2.782 20 10 EFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2Cl)CC1 ZINC001236805117 1313532247 /nfs/dbraw/zinc/53/22/47/1313532247.db2.gz FCLGOWYFJCKMKY-LLVKDONJSA-N 1 0 327.808 2.829 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(C(C)(C)C(N)=O)CC2)c(Cl)c1 ZINC001236803634 1313532563 /nfs/dbraw/zinc/53/25/63/1313532563.db2.gz PLXCXMMHCVZXDU-UHFFFAOYSA-N 1 0 340.851 2.778 20 10 EFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2Cl)CC1 ZINC001236805372 1313532610 /nfs/dbraw/zinc/53/26/10/1313532610.db2.gz FCLGOWYFJCKMKY-NSHDSACASA-N 1 0 327.808 2.829 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c(O)c1 ZINC001236806905 1313533320 /nfs/dbraw/zinc/53/33/20/1313533320.db2.gz ARFMVHNCDVAQPN-DFQSSKMNSA-N 1 0 347.455 2.868 20 10 EFCDRO CCOC[C@H]1Cn2nccc2C[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236809207 1313533922 /nfs/dbraw/zinc/53/39/22/1313533922.db2.gz FNHBPNDZVQAWKT-OAHLLOKOSA-N 1 0 345.443 2.574 20 10 EFCDRO COc1cc(C)c(C[NH+]2CC(CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001236809545 1313534011 /nfs/dbraw/zinc/53/40/11/1313534011.db2.gz XSAWCLMIYLCKTB-UHFFFAOYSA-N 1 0 336.432 2.666 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c(O)c1 ZINC001236811811 1313534942 /nfs/dbraw/zinc/53/49/42/1313534942.db2.gz UYJKCAJFWNZGOS-HXUWFJFHSA-N 1 0 338.407 2.805 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c(O)c1 ZINC001236813385 1313535124 /nfs/dbraw/zinc/53/51/24/1313535124.db2.gz JRBCMTUSTXOQHL-MRXNPFEDSA-N 1 0 346.471 2.934 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c(O)c1 ZINC001236813929 1313535148 /nfs/dbraw/zinc/53/51/48/1313535148.db2.gz MVZAZKDQFYEVBT-QGZVFWFLSA-N 1 0 332.444 2.686 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](Oc3ccnc(OC)c3)C2)c(O)c1 ZINC001236816769 1313535518 /nfs/dbraw/zinc/53/55/18/1313535518.db2.gz WNKONUFBKUYHLT-OAHLLOKOSA-N 1 0 344.411 2.766 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCC(NC(=O)C3CCC3)CC2)c(O)c1 ZINC001236814988 1313535936 /nfs/dbraw/zinc/53/59/36/1313535936.db2.gz YXTGJLZZFNNKOH-UHFFFAOYSA-N 1 0 332.444 2.590 20 10 EFCDRO COc1ccc(O[C@H]2CC[N@H+](Cc3c(C)cc(OC)cc3O)C2)nc1 ZINC001236815955 1313535989 /nfs/dbraw/zinc/53/59/89/1313535989.db2.gz PMGATTVNLQGEKK-HNNXBMFYSA-N 1 0 344.411 2.766 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](Oc3cnccn3)C2)c(O)c1 ZINC001236815766 1313536013 /nfs/dbraw/zinc/53/60/13/1313536013.db2.gz OGWHRQRIYCJZBT-AWEZNQCLSA-N 1 0 329.400 2.543 20 10 EFCDRO CN(C)c1ccc(/C=C\CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903984405 1313537498 /nfs/dbraw/zinc/53/74/98/1313537498.db2.gz VPFZZBPEYHLDAA-MYIWKSEUSA-N 1 0 327.394 2.977 20 10 EFCDRO Oc1cc2ccccc2cc1CN1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001236828603 1313537771 /nfs/dbraw/zinc/53/77/71/1313537771.db2.gz BIJAFPLBTVLEOI-BGYRXZFFSA-N 1 0 338.451 2.840 20 10 EFCDRO O=C1CC2(CC[NH+](Cc3cc4ccccc4cc3O)CC2)CC(=O)N1 ZINC001236834266 1313538233 /nfs/dbraw/zinc/53/82/33/1313538233.db2.gz VFYBXLQBCDPLBA-UHFFFAOYSA-N 1 0 338.407 2.564 20 10 EFCDRO CCO[C@@H]1C[C@H]2CN(Cc3cc4ccccc4cc3O)CC[N@@H+]2C1 ZINC001236833776 1313538241 /nfs/dbraw/zinc/53/82/41/1313538241.db2.gz YGCOFFSWHWHSSF-RBUKOAKNSA-N 1 0 326.440 2.840 20 10 EFCDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2cc3ccccc3cc2O)CC1 ZINC001236842515 1313541355 /nfs/dbraw/zinc/54/13/55/1313541355.db2.gz WQEHDBBHEUKSOO-KRWDZBQOSA-N 1 0 341.407 2.890 20 10 EFCDRO C[N@@H+]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)CC1(C)C ZINC001236919337 1313553130 /nfs/dbraw/zinc/55/31/30/1313553130.db2.gz NCSYAXVSCBNXIY-UHFFFAOYSA-N 1 0 337.895 2.703 20 10 EFCDRO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(N4CCOCC4)cc3Cl)C2)C1 ZINC001236920351 1313553568 /nfs/dbraw/zinc/55/35/68/1313553568.db2.gz UHDYGKRUQRSEPM-LJQANCHMSA-N 1 0 349.906 2.704 20 10 EFCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C[C@@]1(C)O ZINC001236921408 1313553589 /nfs/dbraw/zinc/55/35/89/1313553589.db2.gz GAWXFGRMFXCDBO-RDTXWAMCSA-N 1 0 338.879 2.769 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC[C@]1(C)O ZINC001236924042 1313554117 /nfs/dbraw/zinc/55/41/17/1313554117.db2.gz JROAHGGZUDVPQP-KDOFPFPSSA-N 1 0 338.879 2.769 20 10 EFCDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCOCC2)cc1Cl ZINC001236923900 1313554348 /nfs/dbraw/zinc/55/43/48/1313554348.db2.gz INNMBOPPCZPGKH-IYBDPMFKSA-N 1 0 334.847 2.873 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001236925941 1313554509 /nfs/dbraw/zinc/55/45/09/1313554509.db2.gz ZAOMXIFEIKQRPZ-CVEARBPZSA-N 1 0 336.863 2.645 20 10 EFCDRO C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)[C@@H]1CO ZINC001236925962 1313554810 /nfs/dbraw/zinc/55/48/10/1313554810.db2.gz ZRDIMMCAWFEHFO-KBXCAEBGSA-N 1 0 338.879 2.769 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN1CC[NH+](CC2CC2)CC1 ZINC001236927710 1313554990 /nfs/dbraw/zinc/55/49/90/1313554990.db2.gz SWDOBICWETXHIS-UHFFFAOYSA-N 1 0 349.906 2.704 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN3CCc4ccncc4C3)c(F)c2)CC1 ZINC001236934014 1313556673 /nfs/dbraw/zinc/55/66/73/1313556673.db2.gz BRELOORLMDYFPT-UHFFFAOYSA-N 1 0 340.446 2.531 20 10 EFCDRO C[C@H]1c2cccn2CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236942897 1313557977 /nfs/dbraw/zinc/55/79/77/1313557977.db2.gz OANPJXCZWUIEJX-INIZCTEOSA-N 1 0 342.462 2.956 20 10 EFCDRO CCN(CC)c1ccc(CN(CCCOC)[C@H]2CC[NH2+]C2)c(OC)c1 ZINC001236945567 1313558529 /nfs/dbraw/zinc/55/85/29/1313558529.db2.gz HKUOCTUEIHVRAE-IBGZPJMESA-N 1 0 349.519 2.742 20 10 EFCDRO COCCCN(Cc1cc(C(F)(F)F)ccc1O)[C@@H]1CC[NH2+]C1 ZINC001236947100 1313559166 /nfs/dbraw/zinc/55/91/66/1313559166.db2.gz RUDNHISTTXAIEX-CQSZACIVSA-N 1 0 332.366 2.611 20 10 EFCDRO COCCCN(Cc1cc(Cl)c(Cl)cc1O)[C@H]1CC[NH2+]C1 ZINC001236948547 1313559287 /nfs/dbraw/zinc/55/92/87/1313559287.db2.gz WKXMDQUSGDAXDK-LBPRGKRZSA-N 1 0 333.259 2.899 20 10 EFCDRO CN1CCN(c2cc(C[N@H+](C)Cc3ccccc3O)ccc2F)CC1 ZINC001236974445 1313563516 /nfs/dbraw/zinc/56/35/16/1313563516.db2.gz RLKLLWDNYHNNSR-UHFFFAOYSA-N 1 0 343.446 2.915 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH2+]C[C@H]2C(F)(F)F)c(O)c1 ZINC001236975434 1313564377 /nfs/dbraw/zinc/56/43/77/1313564377.db2.gz IEUQFTPJTYAVJF-HNNXBMFYSA-N 1 0 331.382 2.575 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCC(C[NH2+]CCCF)CC2)cc1 ZINC001206961543 1313572996 /nfs/dbraw/zinc/57/29/96/1313572996.db2.gz DEKOHRWDIFENJK-UHFFFAOYSA-N 1 0 349.410 2.650 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)c(O)c1 ZINC001237040313 1313573123 /nfs/dbraw/zinc/57/31/23/1313573123.db2.gz GQNXALMDDDFEGF-MAUKXSAKSA-N 1 0 346.471 2.870 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC(Oc3ccncn3)CC2)c(O)c1 ZINC001237048838 1313576229 /nfs/dbraw/zinc/57/62/29/1313576229.db2.gz XEVXCMMSBMVPQE-UHFFFAOYSA-N 1 0 329.400 2.624 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2ccc(OCC)cc2O)Cc2cn(C)nc21 ZINC001237043033 1313574502 /nfs/dbraw/zinc/57/45/02/1313574502.db2.gz MWLRKUVGGAEWMD-INIZCTEOSA-N 1 0 345.443 2.660 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@H](Oc3ncncc3C)C2)c(O)c1 ZINC001237047345 1313574939 /nfs/dbraw/zinc/57/49/39/1313574939.db2.gz LJQPBWBSCSBDIW-INIZCTEOSA-N 1 0 329.400 2.543 20 10 EFCDRO CC[N@@H+]1CCN(Cc2ccc(OCC(F)(F)F)cc2O)[C@H](C)C1 ZINC001237063899 1313580274 /nfs/dbraw/zinc/58/02/74/1313580274.db2.gz VIGXFMIUZDXRNP-GFCCVEGCSA-N 1 0 332.366 2.859 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCC3(COC3)C2)c(Br)c1 ZINC001237066306 1313580935 /nfs/dbraw/zinc/58/09/35/1313580935.db2.gz VAFIIADTJDIDIQ-UHFFFAOYSA-N 1 0 342.233 2.776 20 10 EFCDRO CSC[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000305807263 1299031785 /nfs/dbraw/zinc/03/17/85/1299031785.db2.gz ZOJCCNCTZNAPEZ-ZDUSSCGKSA-N 1 0 334.279 2.667 20 10 EFCDRO COc1cc(O)c(CN2CC[N@H+](C)C(C)(C)C2)c(Br)c1 ZINC001237071168 1313582262 /nfs/dbraw/zinc/58/22/62/1313582262.db2.gz RYZRYIGLJJPXHB-UHFFFAOYSA-N 1 0 343.265 2.689 20 10 EFCDRO C[N@H+](C1CN(Cc2c(O)ccc(Cl)c2Cl)C1)[C@H]1CCOC1 ZINC001237082062 1313583913 /nfs/dbraw/zinc/58/39/13/1313583913.db2.gz POLUNDULJZVNEK-JTQLQIEISA-N 1 0 331.243 2.604 20 10 EFCDRO CC(C)c1ccc(C[NH+]2CCC(OCC(=O)NC3CC3)CC2)c(O)c1 ZINC001237050221 1313576401 /nfs/dbraw/zinc/57/64/01/1313576401.db2.gz ZLVNEWNXLOLSHA-UHFFFAOYSA-N 1 0 346.471 2.775 20 10 EFCDRO Cc1cc(N2CC[NH+](Cc3ccc(C(C)C)cc3O)CC2)ncn1 ZINC001237051125 1313576553 /nfs/dbraw/zinc/57/65/53/1313576553.db2.gz HRSCPOHQDIAUQE-UHFFFAOYSA-N 1 0 326.444 2.936 20 10 EFCDRO COc1cnc(O[C@H]2CC[N@H+](Cc3ccc(C(C)C)cc3O)C2)nc1 ZINC001237050744 1313577273 /nfs/dbraw/zinc/57/72/73/1313577273.db2.gz FEERKPUOZLVQFH-INIZCTEOSA-N 1 0 343.427 2.968 20 10 EFCDRO COc1cc(N2CC[NH+](Cc3ccc(C(C)C)cc3O)CC2)ncn1 ZINC001237056370 1313577708 /nfs/dbraw/zinc/57/77/08/1313577708.db2.gz YFVRAEPRMGNTES-UHFFFAOYSA-N 1 0 342.443 2.636 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3OCC[C@H]32)c(Br)c1 ZINC001237058925 1313578399 /nfs/dbraw/zinc/57/83/99/1313578399.db2.gz CQSVHOJWBLTSHD-TZMCWYRMSA-N 1 0 328.206 2.527 20 10 EFCDRO COc1cc(O)c(CN2CCC[C@@H]([NH+](C)C)C2)c(Br)c1 ZINC001237059682 1313578409 /nfs/dbraw/zinc/57/84/09/1313578409.db2.gz NKTDZQGEZUDOPF-LLVKDONJSA-N 1 0 343.265 2.689 20 10 EFCDRO CN(CC[NH+]1CCCC1)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237057778 1313578420 /nfs/dbraw/zinc/57/84/20/1313578420.db2.gz DZWIWWRSODBZEC-UHFFFAOYSA-N 1 0 332.366 2.861 20 10 EFCDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237057942 1313578704 /nfs/dbraw/zinc/57/87/04/1313578704.db2.gz VIPGSBOIMGRYTQ-ZDUSSCGKSA-N 1 0 332.366 2.859 20 10 EFCDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237057940 1313578865 /nfs/dbraw/zinc/57/88/65/1313578865.db2.gz VIPGSBOIMGRYTQ-CYBMUJFWSA-N 1 0 332.366 2.859 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@](C)(O)C2)c(Br)c1 ZINC001237062321 1313579214 /nfs/dbraw/zinc/57/92/14/1313579214.db2.gz LWZKLAQWOWWZEJ-OAHLLOKOSA-N 1 0 344.249 2.900 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001237112066 1313587805 /nfs/dbraw/zinc/58/78/05/1313587805.db2.gz ZVENSIFODHRPIW-GFCCVEGCSA-N 1 0 330.350 2.961 20 10 EFCDRO CC(=O)N(C)C1CC[NH+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237113689 1313588115 /nfs/dbraw/zinc/58/81/15/1313588115.db2.gz BQTHCNVVLJWFAW-UHFFFAOYSA-N 1 0 346.349 2.734 20 10 EFCDRO C[N@@H+]1CCC[C@H]2CN(Cc3c(O)cccc3OC(F)(F)F)C[C@H]21 ZINC001237114873 1313588544 /nfs/dbraw/zinc/58/85/44/1313588544.db2.gz NZGLOEYXVRPYOD-WCQYABFASA-N 1 0 330.350 2.817 20 10 EFCDRO Oc1ccc(F)c(Cl)c1C[N@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001237120323 1313589556 /nfs/dbraw/zinc/58/95/56/1313589556.db2.gz BOCRCTUBCOJTQM-TXEJJXNPSA-N 1 0 348.809 2.543 20 10 EFCDRO Oc1ccc(F)c(Cl)c1C[NH+]1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001237120324 1313590233 /nfs/dbraw/zinc/59/02/33/1313590233.db2.gz BOCRCTUBCOJTQM-VXGBXAGGSA-N 1 0 348.809 2.543 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001237122680 1313590804 /nfs/dbraw/zinc/59/08/04/1313590804.db2.gz KJPBVVHXIXHINY-DHPDLVEQSA-N 1 0 329.318 2.900 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC001237126128 1313591235 /nfs/dbraw/zinc/59/12/35/1313591235.db2.gz UWQRAUVVSGOVSS-NSHDSACASA-N 1 0 342.321 2.719 20 10 EFCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237125856 1313591297 /nfs/dbraw/zinc/59/12/97/1313591297.db2.gz QNKNSUTYYQJFAR-AWEZNQCLSA-N 1 0 333.306 2.676 20 10 EFCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3c(O)ccc(F)c3Cl)CC[C@H]21 ZINC001237129049 1313591810 /nfs/dbraw/zinc/59/18/10/1313591810.db2.gz UDZMPDRMLCBTAQ-ZWNOBZJWSA-N 1 0 326.799 2.627 20 10 EFCDRO O=C1CC2(CN1)CC[NH+](Cc1cc(C(F)(F)F)ccc1O)CC2 ZINC001237138905 1313592235 /nfs/dbraw/zinc/59/22/35/1313592235.db2.gz ZSPRJLXJMMSDAE-UHFFFAOYSA-N 1 0 328.334 2.513 20 10 EFCDRO O=C1NCCC2(CC[NH+](Cc3cc(C(F)(F)F)ccc3O)CC2)O1 ZINC001237142954 1313592490 /nfs/dbraw/zinc/59/24/90/1313592490.db2.gz IXGXNTYWSSNLKI-UHFFFAOYSA-N 1 0 344.333 2.876 20 10 EFCDRO CC(C)(C)c1cc(O)c(CN2CC[C@@]3(C2)C[NH2+]CCO3)cc1Cl ZINC001237142747 1313592636 /nfs/dbraw/zinc/59/26/36/1313592636.db2.gz BQQFOGHKQJOBHT-SFHVURJKSA-N 1 0 338.879 2.907 20 10 EFCDRO C[C@@H]1CCCC[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237201905 1313604288 /nfs/dbraw/zinc/60/42/88/1313604288.db2.gz COWAFPSBZXTANS-MRXNPFEDSA-N 1 0 336.501 2.543 20 10 EFCDRO OCCCCC[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001237205518 1313605849 /nfs/dbraw/zinc/60/58/49/1313605849.db2.gz MXACMJLIBAYIKE-UHFFFAOYSA-N 1 0 332.366 2.870 20 10 EFCDRO FC(F)(F)Oc1ccc(N2CCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001237205488 1313606079 /nfs/dbraw/zinc/60/60/79/1313606079.db2.gz MOOKCKIAMRIRMT-AWEZNQCLSA-N 1 0 343.393 2.707 20 10 EFCDRO O=S1(=O)CCN(c2ccc(C[N@@H+]3CCC4(CCCC4)C3)cc2)CC1 ZINC001237213766 1313607335 /nfs/dbraw/zinc/60/73/35/1313607335.db2.gz WLDJYSWBORBZAI-UHFFFAOYSA-N 1 0 348.512 2.688 20 10 EFCDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237222015 1313608613 /nfs/dbraw/zinc/60/86/13/1313608613.db2.gz WJGIGGIYJGRGKP-GOSISDBHSA-N 1 0 336.501 2.542 20 10 EFCDRO C[C@H]([NH3+])CN1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001237250702 1313612407 /nfs/dbraw/zinc/61/24/07/1313612407.db2.gz XDFFLCCPEUCODA-KRWDZBQOSA-N 1 0 325.456 2.735 20 10 EFCDRO CC(C)CNC(=O)CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000851840407 1299427867 /nfs/dbraw/zinc/42/78/67/1299427867.db2.gz FYACGRFFAXZJKX-GOSISDBHSA-N 1 0 348.487 2.926 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)nc2)c1 ZINC000851899754 1299455499 /nfs/dbraw/zinc/45/54/99/1299455499.db2.gz FKTLVKZNCZDXME-JTQLQIEISA-N 1 0 335.791 2.739 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)[C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)cc1 ZINC000852212130 1299599346 /nfs/dbraw/zinc/59/93/46/1299599346.db2.gz UYHZGJIXRQEETL-ZYSHUDEJSA-N 1 0 345.487 2.511 20 10 EFCDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000852465779 1299713344 /nfs/dbraw/zinc/71/33/44/1299713344.db2.gz KTXGAZHHMXHSKF-OAHLLOKOSA-N 1 0 345.487 2.943 20 10 EFCDRO COc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c(O)c1 ZINC000852586559 1299773807 /nfs/dbraw/zinc/77/38/07/1299773807.db2.gz JJGBUIDEJOEXSG-OAHLLOKOSA-N 1 0 347.459 2.607 20 10 EFCDRO Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852791965 1299888715 /nfs/dbraw/zinc/88/87/15/1299888715.db2.gz OFAGNJVQUUCNQW-ZCNNSNEGSA-N 1 0 337.467 2.981 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC001237488538 1313654707 /nfs/dbraw/zinc/65/47/07/1313654707.db2.gz NEFYPLRZGRNLNT-HXUWFJFHSA-N 1 0 328.456 2.925 20 10 EFCDRO Cc1cccc(O)c1CN1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001237489060 1313654840 /nfs/dbraw/zinc/65/48/40/1313654840.db2.gz UXCSICQELVLNRP-UHFFFAOYSA-N 1 0 328.460 2.753 20 10 EFCDRO Cc1ccc(N2CC[C@@H]3C[N@H+](Cc4c(C)cccc4O)C[C@@H]3C2)nn1 ZINC001237487343 1313654954 /nfs/dbraw/zinc/65/49/54/1313654954.db2.gz YIUTYBNDEWEUDR-IAGOWNOFSA-N 1 0 338.455 2.757 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CCc2ccc(=O)n(CC3CC3)c2CC1 ZINC001237488439 1313655309 /nfs/dbraw/zinc/65/53/09/1313655309.db2.gz LQZZMSKDFNCKCM-UHFFFAOYSA-N 1 0 338.451 2.873 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H]2[C@H]1CCN2C(=O)c1cscn1 ZINC001237489154 1313655359 /nfs/dbraw/zinc/65/53/59/1313655359.db2.gz WCBXMSBGDKORTH-CVEARBPZSA-N 1 0 343.452 2.646 20 10 EFCDRO O=C(NCc1c(O)ccc2c1CCCC2)c1cccc2c1CC[NH2+]C2 ZINC000852884577 1299926114 /nfs/dbraw/zinc/92/61/14/1299926114.db2.gz LNVSXIUBHZTEBR-UHFFFAOYSA-N 1 0 336.435 2.847 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)Cc3ccc[nH]3)C2)cc1C ZINC000962761431 1300020242 /nfs/dbraw/zinc/02/02/42/1300020242.db2.gz UHDUPZRIFYWFID-UHFFFAOYSA-N 1 0 341.455 2.559 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNc3cnc(F)cn3)cc2F)CC1 ZINC000853293919 1300077528 /nfs/dbraw/zinc/07/75/28/1300077528.db2.gz WQPMPQCJIKBMAN-UHFFFAOYSA-N 1 0 333.386 2.509 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNc3cc(F)ncn3)cc2F)CC1 ZINC000853293890 1300077621 /nfs/dbraw/zinc/07/76/21/1300077621.db2.gz VVZBHMGOZMUSCQ-UHFFFAOYSA-N 1 0 333.386 2.509 20 10 EFCDRO C[N@H+](CC(=O)NCCCOc1ccccc1F)Cc1ccccc1O ZINC000111236393 1300081180 /nfs/dbraw/zinc/08/11/80/1300081180.db2.gz ZFKXEPSTEUCQTQ-UHFFFAOYSA-N 1 0 346.402 2.548 20 10 EFCDRO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000111236391 1300081270 /nfs/dbraw/zinc/08/12/70/1300081270.db2.gz OXPDUALWUASBQY-CYBMUJFWSA-N 1 0 348.393 2.850 20 10 EFCDRO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001207398813 1313675755 /nfs/dbraw/zinc/67/57/55/1313675755.db2.gz OEMRDGMQCDTOEH-UHFFFAOYSA-N 1 0 327.472 2.887 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000853540240 1300155880 /nfs/dbraw/zinc/15/58/80/1300155880.db2.gz GMVKBKRHRDQCJZ-CQSZACIVSA-N 1 0 348.443 2.725 20 10 EFCDRO COc1cc(C[NH+]2CCN([C@H]3CCOC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000853551055 1300161801 /nfs/dbraw/zinc/16/18/01/1300161801.db2.gz RCHPEBNNJACKLV-INIZCTEOSA-N 1 0 348.487 2.605 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853556069 1300163323 /nfs/dbraw/zinc/16/33/23/1300163323.db2.gz WMTBUQCFPWCMEB-DYVFJYSZSA-N 1 0 346.471 2.799 20 10 EFCDRO C[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C[C@H]1COCCO1 ZINC000853558757 1300165535 /nfs/dbraw/zinc/16/55/35/1300165535.db2.gz JKSAFLDXXGCFRN-ZDUSSCGKSA-N 1 0 331.412 2.864 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)cc1OC ZINC000853582711 1300177886 /nfs/dbraw/zinc/17/78/86/1300177886.db2.gz KWFNJIVUSDQNRU-UHFFFAOYSA-N 1 0 333.428 2.800 20 10 EFCDRO O=C1NCC[C@]12CC[N@@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001237641141 1313683075 /nfs/dbraw/zinc/68/30/75/1313683075.db2.gz MVCIEXMQFKJUDL-HXUWFJFHSA-N 1 0 340.398 2.910 20 10 EFCDRO CN(C)C(=O)C1C[NH+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237645060 1313683145 /nfs/dbraw/zinc/68/31/45/1313683145.db2.gz HANPWPQUDLLHJJ-UHFFFAOYSA-N 1 0 328.387 2.718 20 10 EFCDRO CN1CC2(C1)CCC[N@H+](Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001276530225 1313686574 /nfs/dbraw/zinc/68/65/74/1313686574.db2.gz PPWQKAFRSSGAAP-UHFFFAOYSA-N 1 0 330.350 2.818 20 10 EFCDRO CC(=O)N(C)C1C[NH+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237645651 1313683262 /nfs/dbraw/zinc/68/32/62/1313683262.db2.gz IOENMIFNIINSIB-UHFFFAOYSA-N 1 0 328.387 2.861 20 10 EFCDRO COc1cc(C[N@H+](C)CCCC(=O)c2cccnc2)c(O)c(OC)c1 ZINC001237679245 1313690005 /nfs/dbraw/zinc/69/00/05/1313690005.db2.gz UJJYJDUISAAODB-UHFFFAOYSA-N 1 0 344.411 2.899 20 10 EFCDRO COc1cc(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)c(O)c(OC)c1 ZINC001237683240 1313690702 /nfs/dbraw/zinc/69/07/02/1313690702.db2.gz GBRVTYOCEKIYIS-QGZVFWFLSA-N 1 0 343.423 2.853 20 10 EFCDRO COC(=O)c1cccc(C[N@H+](C)Cc2cc(OC)cc(OC)c2O)c1 ZINC001237682375 1313690921 /nfs/dbraw/zinc/69/09/21/1313690921.db2.gz YQGRHEOIKGVKBN-UHFFFAOYSA-N 1 0 345.395 2.828 20 10 EFCDRO Cc1cc(Cl)cc(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)c1O ZINC001237687026 1313691587 /nfs/dbraw/zinc/69/15/87/1313691587.db2.gz VRJYOBMCXKNHKZ-GJZGRUSLSA-N 1 0 344.846 2.712 20 10 EFCDRO Cc1cc(O)c(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1Br ZINC001237684513 1313691595 /nfs/dbraw/zinc/69/15/95/1313691595.db2.gz MAEQMIJZOHHTSS-CZUORRHYSA-N 1 0 339.277 2.847 20 10 EFCDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(Br)c(C)cc1O ZINC001237685297 1313691618 /nfs/dbraw/zinc/69/16/18/1313691618.db2.gz PFBZETPJQFFEJO-STQMWFEESA-N 1 0 325.250 2.742 20 10 EFCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(Br)c(C)cc2O)C[C@@H]1C ZINC001237684132 1313692093 /nfs/dbraw/zinc/69/20/93/1313692093.db2.gz HBIUHCRWSQVALT-JQWIXIFHSA-N 1 0 342.233 2.704 20 10 EFCDRO CC[NH+](CC)C[C@@H]1CN(Cc2cc(Cl)cc(C)c2O)CCO1 ZINC001237688764 1313692189 /nfs/dbraw/zinc/69/21/89/1313692189.db2.gz JQURXVXTTKLUBE-MRXNPFEDSA-N 1 0 326.868 2.897 20 10 EFCDRO CC(=O)NC1CC[NH+](Cc2cc(Br)c(C)cc2O)CC1 ZINC001237676533 1313688737 /nfs/dbraw/zinc/68/87/37/1313688737.db2.gz KKGWWSWAQBYBDZ-UHFFFAOYSA-N 1 0 341.249 2.564 20 10 EFCDRO CCOC(=O)C[C@H]1CCC[N@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237670692 1313688944 /nfs/dbraw/zinc/68/89/44/1313688944.db2.gz VXXTYFNVCSWJJS-CYBMUJFWSA-N 1 0 337.416 2.575 20 10 EFCDRO COc1ccc2c(c1)CC[N@@H+](Cc1cc(OC)cc(OC)c1O)C2 ZINC001237675402 1313689078 /nfs/dbraw/zinc/68/90/78/1313689078.db2.gz XBZVDUKABPHBKR-UHFFFAOYSA-N 1 0 329.396 2.976 20 10 EFCDRO COC(=O)CC[N@H+](Cc1ccco1)Cc1cc(OC)cc(OC)c1O ZINC001237676842 1313689365 /nfs/dbraw/zinc/68/93/65/1313689365.db2.gz RBANMKFRAWTYGD-UHFFFAOYSA-N 1 0 349.383 2.568 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC[C@@H](C)[NH+](C)C ZINC000854176165 1300461439 /nfs/dbraw/zinc/46/14/39/1300461439.db2.gz BQRXTYIGLMOHKP-HZPDHXFCSA-N 1 0 334.508 2.631 20 10 EFCDRO CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(F)cc1[O-] ZINC000796746305 1300558692 /nfs/dbraw/zinc/55/86/92/1300558692.db2.gz RAKNCRDZIVUOEF-GOSISDBHSA-N 1 0 337.483 2.846 20 10 EFCDRO C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3cccc(F)c3[O-])C2)C1 ZINC001276537695 1313704515 /nfs/dbraw/zinc/70/45/15/1313704515.db2.gz KXZULHPELAAJKJ-HXUWFJFHSA-N 1 0 349.494 2.771 20 10 EFCDRO [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718157807 1300587976 /nfs/dbraw/zinc/58/79/76/1300587976.db2.gz WXZHRBFQUPAQGR-AOOOYVTPSA-N 1 0 332.625 2.886 20 10 EFCDRO COc1cc(CN2CCN(CC(F)(F)F)[C@@H](C)C2)c(O)cc1C ZINC000245546212 1300643944 /nfs/dbraw/zinc/64/39/44/1300643944.db2.gz VBQUFDSTOYVRMJ-LBPRGKRZSA-N 1 0 332.366 2.778 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@H]([C@@H]4CCCO4)C3)c2c1 ZINC000089125580 1300705079 /nfs/dbraw/zinc/70/50/79/1300705079.db2.gz KQWNCARJHMPOEV-PMACEKPBSA-N 1 0 343.423 2.934 20 10 EFCDRO C[N@H+](Cc1cc(Cl)ccc1O)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245727422 1300752318 /nfs/dbraw/zinc/75/23/18/1300752318.db2.gz JAEJSAGNBCQAFD-DZGCQCFKSA-N 1 0 331.865 2.833 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c(O)c(C(C)(C)C)c1 ZINC000776773067 1300760767 /nfs/dbraw/zinc/76/07/67/1300760767.db2.gz ARIIUCFVXAEPJY-CQSZACIVSA-N 1 0 330.432 2.737 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000245800729 1300783596 /nfs/dbraw/zinc/78/35/96/1300783596.db2.gz ACXCRJTWKZUQEY-ILXRZTDVSA-N 1 0 349.475 2.881 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@@H]([C@H]4CCCO4)C3)c2c1 ZINC000246214074 1300959586 /nfs/dbraw/zinc/95/95/86/1300959586.db2.gz KQWNCARJHMPOEV-WOJBJXKFSA-N 1 0 343.423 2.934 20 10 EFCDRO CCOc1cccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000113343311 1300960310 /nfs/dbraw/zinc/96/03/10/1300960310.db2.gz HKUNKSWJNLLADK-AWEZNQCLSA-N 1 0 336.432 2.890 20 10 EFCDRO CC[NH+](CC)C[C@@H]1CN(Cc2cc(F)c(Cl)cc2O)CCO1 ZINC001237944100 1313734472 /nfs/dbraw/zinc/73/44/72/1313734472.db2.gz SISJPLBYVFWAFD-CYBMUJFWSA-N 1 0 330.831 2.727 20 10 EFCDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000855734168 1301086201 /nfs/dbraw/zinc/08/62/01/1301086201.db2.gz WVTXBNGOLMWXSH-OAHLLOKOSA-N 1 0 330.453 2.843 20 10 EFCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000776869664 1301204059 /nfs/dbraw/zinc/20/40/59/1301204059.db2.gz XPEJSOUYKFNXIO-HEFCMCLBSA-N 1 0 349.471 2.742 20 10 EFCDRO CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1OCCOC)c1ccc(N(C)C)cc1 ZINC000776866714 1301204983 /nfs/dbraw/zinc/20/49/83/1301204983.db2.gz HWHKERPHSJXQNO-OTWHNJEPSA-N 1 0 336.476 2.614 20 10 EFCDRO CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1OCCOC)c1cc(Cl)ccc1O ZINC000776869731 1301209609 /nfs/dbraw/zinc/20/96/09/1301209609.db2.gz PRASPYVFAMOLBI-UXLLHSPISA-N 1 0 343.851 2.907 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2cc(F)cc(C)c2O)Cc2cnn(C)c21 ZINC001238060918 1313753245 /nfs/dbraw/zinc/75/32/45/1313753245.db2.gz KHZXXMQEQFFXIK-OAHLLOKOSA-N 1 0 333.407 2.709 20 10 EFCDRO COCCN1CC[N@H+](Cc2cc(F)cc(C)c2O)Cc2cccnc21 ZINC001238059847 1313753267 /nfs/dbraw/zinc/75/32/67/1313753267.db2.gz FCXNLIMKCBCLJY-UHFFFAOYSA-N 1 0 345.418 2.703 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1O ZINC001238061122 1313753425 /nfs/dbraw/zinc/75/34/25/1313753425.db2.gz NBOSPWZNRHKYLG-LJQANCHMSA-N 1 0 326.371 2.936 20 10 EFCDRO Cc1cc(F)cc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)c1O ZINC001238062240 1313753485 /nfs/dbraw/zinc/75/34/85/1313753485.db2.gz VKEQJHOQTQHLNU-HXUWFJFHSA-N 1 0 340.398 2.960 20 10 EFCDRO Cc1noc([C@@H]2C[C@@H]3CC[N@H+](Cc4cc(F)cc(C)c4O)C[C@H]3O2)n1 ZINC001238060276 1313753679 /nfs/dbraw/zinc/75/36/79/1313753679.db2.gz HCIBMOKLGKBKLI-VBNZEHGJSA-N 1 0 347.390 2.883 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c1O ZINC001238064432 1313754114 /nfs/dbraw/zinc/75/41/14/1313754114.db2.gz PCNPRXZSOXQWRW-UGSOOPFHSA-N 1 0 336.407 2.939 20 10 EFCDRO Cc1cnc(OC2CC[NH+](Cc3cc(F)cc(C)c3O)CC2)nc1 ZINC001238064766 1313754147 /nfs/dbraw/zinc/75/41/47/1313754147.db2.gz BGRZZFORBXUUAV-UHFFFAOYSA-N 1 0 331.391 2.982 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccnc3)C2)c1O ZINC001238064365 1313754188 /nfs/dbraw/zinc/75/41/88/1313754188.db2.gz BWBNNSGXZZOVEE-QGZVFWFLSA-N 1 0 343.402 2.629 20 10 EFCDRO COc1ccnc(OC2CC[NH+](Cc3cc(F)cc(C)c3O)CC2)n1 ZINC001238064714 1313754257 /nfs/dbraw/zinc/75/42/57/1313754257.db2.gz AQBZXJSGPSHCOA-UHFFFAOYSA-N 1 0 347.390 2.682 20 10 EFCDRO CCOc1cccc(N2CC[NH+](Cc3cc(F)cc(C)c3O)CC2)n1 ZINC001238065774 1313754514 /nfs/dbraw/zinc/75/45/14/1313754514.db2.gz ASROJAXZMSTCMQ-UHFFFAOYSA-N 1 0 345.418 2.956 20 10 EFCDRO Cc1cc(F)cc(C[NH+]2CCC(NC(=O)N3CCCC3)CC2)c1O ZINC001238067381 1313754698 /nfs/dbraw/zinc/75/46/98/1313754698.db2.gz ORQXGIIWLLQVNV-UHFFFAOYSA-N 1 0 335.423 2.610 20 10 EFCDRO COc1cc(C)nc(O[C@H]2CC[N@H+](Cc3cc(F)cc(C)c3O)C2)n1 ZINC001238066248 1313754766 /nfs/dbraw/zinc/75/47/66/1313754766.db2.gz KUQGOHVXMBXQFI-HNNXBMFYSA-N 1 0 347.390 2.600 20 10 EFCDRO COc1cccc(O[C@H]2CC[N@H+](Cc3cc(F)cc(C)c3O)C2)n1 ZINC001238068287 1313754926 /nfs/dbraw/zinc/75/49/26/1313754926.db2.gz VFMUHDDYCPJKDZ-HNNXBMFYSA-N 1 0 332.375 2.897 20 10 EFCDRO Cc1ccnc(OC2CC[NH+](Cc3cc(F)cc(C)c3O)CC2)n1 ZINC001238069393 1313754933 /nfs/dbraw/zinc/75/49/33/1313754933.db2.gz ZBRYXUCWDSHDQD-UHFFFAOYSA-N 1 0 331.391 2.982 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](Oc3nccnc3C)C2)c1O ZINC001238069500 1313755229 /nfs/dbraw/zinc/75/52/29/1313755229.db2.gz ZUWJJEUMGTXJFJ-MRXNPFEDSA-N 1 0 331.391 2.982 20 10 EFCDRO O=S(=O)(NC[C@@H]1CC[NH2+]C1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238123783 1313766526 /nfs/dbraw/zinc/76/65/26/1313766526.db2.gz DNVFEKYFMSPRND-YYZBOFOMSA-N 1 0 344.440 2.990 20 10 EFCDRO CCN(C)c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1 ZINC000859880487 1301614863 /nfs/dbraw/zinc/61/48/63/1301614863.db2.gz OTNFRMYXMGABJE-MJGOQNOKSA-N 1 0 327.428 2.863 20 10 EFCDRO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(Br)cc1O ZINC000825556173 1301621073 /nfs/dbraw/zinc/62/10/73/1301621073.db2.gz OGKOAJUQIUYEIK-JTQLQIEISA-N 1 0 343.265 2.890 20 10 EFCDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2c(O)cccc2Br)C1 ZINC001334901310 1331328125 /nfs/dbraw/zinc/32/81/25/1331328125.db2.gz CELOGHPMYDHXSA-GFCCVEGCSA-N 1 0 341.249 2.503 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)COC(C)(C)C)C2)cc1C ZINC001207865741 1313791722 /nfs/dbraw/zinc/79/17/22/1313791722.db2.gz HEWFAGRXKBMPEF-QGZVFWFLSA-N 1 0 348.487 2.899 20 10 EFCDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862236738 1302318491 /nfs/dbraw/zinc/31/84/91/1302318491.db2.gz CKGPDHCDRHUQFO-ZDUSSCGKSA-N 1 0 339.430 2.769 20 10 EFCDRO Oc1cccc(Br)c1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000862252468 1302321382 /nfs/dbraw/zinc/32/13/82/1302321382.db2.gz UPJYNECZVIULLY-OCCSQVGLSA-N 1 0 344.274 2.861 20 10 EFCDRO COC(=O)[C@H](C)C[N@H+](Cc1cc(F)c(N(C)C)cc1F)C1CC1 ZINC000862302581 1302331990 /nfs/dbraw/zinc/33/19/90/1302331990.db2.gz WMHOGZJFSDIABV-LLVKDONJSA-N 1 0 326.387 2.804 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000862468294 1302392780 /nfs/dbraw/zinc/39/27/80/1302392780.db2.gz FXQRHSASUCVIBH-LBPRGKRZSA-N 1 0 349.219 2.974 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)cc1OC ZINC000862482590 1302397852 /nfs/dbraw/zinc/39/78/52/1302397852.db2.gz JYSXZZSLIJXYDE-FQEVSTJZSA-N 1 0 343.423 2.893 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@H]3CCC[N@@H+]3C)c2C)cc1 ZINC000862725104 1302446060 /nfs/dbraw/zinc/44/60/60/1302446060.db2.gz HMOBGDKCJVDZLW-QGZVFWFLSA-N 1 0 341.455 2.927 20 10 EFCDRO Oc1ccc2ccncc2c1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000748264997 1313842513 /nfs/dbraw/zinc/84/25/13/1313842513.db2.gz JCRPGYNKEJKOBM-INIZCTEOSA-N 1 0 328.412 2.710 20 10 EFCDRO CC[C@H]1CN(C(=O)C(F)F)CC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001037759017 1302469056 /nfs/dbraw/zinc/46/90/56/1302469056.db2.gz LZLCNFOFXLZNDV-LSDHHAIUSA-N 1 0 340.414 2.985 20 10 EFCDRO O=C([C@H]1CCC[C@]12CC[N@@H+](Cc1cc(F)ccc1O)C2)N1CC=CC1 ZINC001278257359 1313846601 /nfs/dbraw/zinc/84/66/01/1313846601.db2.gz UJTFNTDVKOIOAU-YLJYHZDGSA-N 1 0 344.430 2.922 20 10 EFCDRO O=C(N1CCCC12CC2)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001278255429 1313844911 /nfs/dbraw/zinc/84/49/11/1313844911.db2.gz URIZZHYRPRIMTQ-AUUYWEPGSA-N 1 0 330.403 2.508 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3cccs3)C2)cc1C ZINC001018423399 1313863143 /nfs/dbraw/zinc/86/31/43/1313863143.db2.gz QAFBEHQWBSZULG-INIZCTEOSA-N 1 0 344.480 2.998 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1CCCCC1(C)C)cc2=O ZINC000119830777 1302766463 /nfs/dbraw/zinc/76/64/63/1302766463.db2.gz WZZKZHHMJZVOCS-AWEZNQCLSA-N 1 0 346.431 2.670 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@]4(CCO[C@@H]4C)C3)c2c1 ZINC000794661419 1302883493 /nfs/dbraw/zinc/88/34/93/1302883493.db2.gz HLIYIRWIEFIXCC-JLTOFOAXSA-N 1 0 343.423 2.934 20 10 EFCDRO O=S(=O)(N[C@@H]1CC12C[NH2+]C2)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238877359 1313877486 /nfs/dbraw/zinc/87/74/86/1313877486.db2.gz JAJFZXXODCRFBW-ZBBYCGENSA-N 1 0 342.424 2.742 20 10 EFCDRO CC[C@@H](CSC)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000091099903 1303000022 /nfs/dbraw/zinc/00/00/22/1303000022.db2.gz XIEZLBUZTOMUAK-INIZCTEOSA-N 1 0 337.533 2.784 20 10 EFCDRO CC1([NH3+])CN(S(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)C1 ZINC001238929230 1313884616 /nfs/dbraw/zinc/88/46/16/1313884616.db2.gz YKJHBBXJYJQCGB-VHEBQXMUSA-N 1 0 330.413 2.824 20 10 EFCDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000794713827 1303038442 /nfs/dbraw/zinc/03/84/42/1303038442.db2.gz OEIBBTBFIDWYDI-LJQANCHMSA-N 1 0 328.412 2.715 20 10 EFCDRO CC[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(C)cc1O ZINC000794812548 1303171715 /nfs/dbraw/zinc/17/17/15/1303171715.db2.gz MJDVRERKXRWDJL-JQFCIGGWSA-N 1 0 342.443 2.669 20 10 EFCDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(C)cc1O ZINC000794812550 1303171812 /nfs/dbraw/zinc/17/18/12/1303171812.db2.gz MJDVRERKXRWDJL-RRQGHBQHSA-N 1 0 342.443 2.669 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc(Cl)c[nH]3)C2)cc1C ZINC001018499820 1313909869 /nfs/dbraw/zinc/90/98/69/1313909869.db2.gz FCGZLNXZGAMGNZ-HNNXBMFYSA-N 1 0 347.846 2.989 20 10 EFCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@]2(CCCOC2)O1 ZINC000794886867 1303477494 /nfs/dbraw/zinc/47/74/94/1303477494.db2.gz BHKKBXDEFGHREV-LIRRHRJNSA-N 1 0 328.412 2.710 20 10 EFCDRO CCOC(=O)C1(C)CC([NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000866254669 1303581290 /nfs/dbraw/zinc/58/12/90/1303581290.db2.gz VNNWJTCLVIDRGZ-UHFFFAOYSA-N 1 0 346.471 2.985 20 10 EFCDRO C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@H+](C)Cc1ccccc1O ZINC000121139502 1303707433 /nfs/dbraw/zinc/70/74/33/1303707433.db2.gz NQMCYIOPGSIQPN-ZDUSSCGKSA-N 1 0 327.384 2.561 20 10 EFCDRO Fc1cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)ccc1N1CCOCC1 ZINC000121224332 1303787876 /nfs/dbraw/zinc/78/78/76/1303787876.db2.gz ZZFNHHKMEKVZQU-INIZCTEOSA-N 1 0 344.434 2.765 20 10 EFCDRO O=C(NCc1ccccc1O)NCc1ccccc1C[NH+]1CCCC1 ZINC000748462602 1313939251 /nfs/dbraw/zinc/93/92/51/1313939251.db2.gz FSWNVQXOVKDMQU-UHFFFAOYSA-N 1 0 339.439 2.987 20 10 EFCDRO COc1cc(N(C)C)ccc1CN1CC2(C1)C[NH+](C1CCCC1)C2 ZINC001276370080 1313955883 /nfs/dbraw/zinc/95/58/83/1313955883.db2.gz ZRNZZGCVPRDCBF-UHFFFAOYSA-N 1 0 329.488 2.821 20 10 EFCDRO CCCCN(Cc1ccccc1O)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000868109862 1304131097 /nfs/dbraw/zinc/13/10/97/1304131097.db2.gz LYIITXJVNMZGSV-UHFFFAOYSA-N 1 0 344.459 2.593 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3ccsc3)C2)cc1C ZINC000966689671 1304200288 /nfs/dbraw/zinc/20/02/88/1304200288.db2.gz ZFCUYBDBGKUFHV-QGZVFWFLSA-N 1 0 344.480 2.998 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cnccc3C)C2)cc1C ZINC001018661267 1313992816 /nfs/dbraw/zinc/99/28/16/1313992816.db2.gz NAWPOTQYPDVLIC-KRWDZBQOSA-N 1 0 339.439 2.711 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3occc3C)C2)cc1C ZINC000967081780 1304644598 /nfs/dbraw/zinc/64/45/98/1304644598.db2.gz QYCMMJWNHXDTBT-MRXNPFEDSA-N 1 0 328.412 2.909 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 ZINC000122653856 1304855326 /nfs/dbraw/zinc/85/53/26/1304855326.db2.gz GINYQDKCSFQOJO-OAHLLOKOSA-N 1 0 336.443 2.888 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3scnc3C)C2)cc1C ZINC000967328173 1304857221 /nfs/dbraw/zinc/85/72/21/1304857221.db2.gz WQFUNEAEXSPJRW-OAHLLOKOSA-N 1 0 345.468 2.773 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)COC3CCCC3)C2)cc1C ZINC000967393738 1304938463 /nfs/dbraw/zinc/93/84/63/1304938463.db2.gz LWXUXSWAXOKQIL-QGZVFWFLSA-N 1 0 346.471 2.653 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000122790158 1304986658 /nfs/dbraw/zinc/98/66/58/1304986658.db2.gz UTXJJPAQHWCWID-OAHLLOKOSA-N 1 0 336.443 2.888 20 10 EFCDRO CN(c1ccccc1)c1cc(-c2ccc(N3CC[NH2+]CC3)nc2)ncn1 ZINC001240488069 1314040412 /nfs/dbraw/zinc/04/04/12/1314040412.db2.gz SRDPNBMBFQTPCZ-UHFFFAOYSA-N 1 0 346.438 2.716 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2ccc(N3CC[NH2+]CC3)nc2)cn1 ZINC001240487884 1314040594 /nfs/dbraw/zinc/04/05/94/1314040594.db2.gz HYRRPGKMWGTSQE-UHFFFAOYSA-N 1 0 333.439 2.961 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCOCC3)C2)cc1C ZINC001018783539 1314044949 /nfs/dbraw/zinc/04/49/49/1314044949.db2.gz PXHZIGFVPYASGE-ROUUACIJSA-N 1 0 346.471 2.511 20 10 EFCDRO Cc1cc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)n1-c1ccccn1 ZINC000870975931 1305722251 /nfs/dbraw/zinc/72/22/51/1305722251.db2.gz JLVCFELSGHQPES-BJWYYQGGSA-N 1 0 338.455 2.750 20 10 EFCDRO CCOc1ccc(C[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c(O)c1 ZINC000796525609 1305821682 /nfs/dbraw/zinc/82/16/82/1305821682.db2.gz FCPSBQHYZZWXFR-HSZRJFAPSA-N 1 0 333.453 2.959 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccncc3F)C2)cc1C ZINC000968251804 1306041458 /nfs/dbraw/zinc/04/14/58/1306041458.db2.gz OKKXYQUSSKJUSY-OAHLLOKOSA-N 1 0 343.402 2.542 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C)n3cccc3)C2)cc1C ZINC000968439086 1306321664 /nfs/dbraw/zinc/32/16/64/1306321664.db2.gz XGFGLAQEOCARLQ-SJLPKXTDSA-N 1 0 341.455 2.757 20 10 EFCDRO CC1CC(C[NH+]2CC(N(C)C(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001044354793 1306450434 /nfs/dbraw/zinc/45/04/34/1306450434.db2.gz ISYRAKPCYLFTAX-UHFFFAOYSA-N 1 0 343.431 2.651 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccon3)[C@H](C)C2)cc1C ZINC001044485503 1306551878 /nfs/dbraw/zinc/55/18/78/1306551878.db2.gz ZYIYYXMHTKBNNN-ZBFHGGJFSA-N 1 0 343.427 2.775 20 10 EFCDRO C[C@@H]1CC[N@H+](CC2CC2)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000968684318 1306565132 /nfs/dbraw/zinc/56/51/32/1306565132.db2.gz AAILLIHUACAPGF-MLGOLLRUSA-N 1 0 343.431 2.699 20 10 EFCDRO CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968684998 1306566340 /nfs/dbraw/zinc/56/63/40/1306566340.db2.gz LNFJNLKZIJEEMS-SWLSCSKDSA-N 1 0 331.420 2.699 20 10 EFCDRO CC(C)[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968685131 1306566962 /nfs/dbraw/zinc/56/69/62/1306566962.db2.gz NMHMOSMMLQWERX-WFASDCNBSA-N 1 0 331.420 2.698 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC(C)(C)O)[C@@H](C)C2)cc1C ZINC001044580900 1306632211 /nfs/dbraw/zinc/63/22/11/1306632211.db2.gz QSMDNMRYYWFYHJ-RDJZCZTQSA-N 1 0 348.487 2.634 20 10 EFCDRO Cc1cc(CN2CC[N@@H+]3CCC[C@H]3C2)c(O)cc1Br ZINC001250128945 1315176359 /nfs/dbraw/zinc/17/63/59/1315176359.db2.gz QUXAMGFVORLDDL-ZDUSSCGKSA-N 1 0 325.250 2.743 20 10 EFCDRO Cc1cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c(O)cc1Br ZINC001250133404 1315177509 /nfs/dbraw/zinc/17/75/09/1315177509.db2.gz LVSQYRYEQPYOIA-AAEUAGOBSA-N 1 0 326.234 2.931 20 10 EFCDRO CCC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC001044877540 1306888494 /nfs/dbraw/zinc/88/84/94/1306888494.db2.gz IWVDVRLEGXJBKJ-DOMZBBRYSA-N 1 0 331.420 2.842 20 10 EFCDRO CC(C)[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC001044879483 1306891628 /nfs/dbraw/zinc/89/16/28/1306891628.db2.gz PKJRFQLUDCBZPB-DOMZBBRYSA-N 1 0 331.420 2.840 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cc[nH]c2)cc1C ZINC001045048372 1307015862 /nfs/dbraw/zinc/01/58/62/1307015862.db2.gz FPPIXLCGLKVRFG-KRWDZBQOSA-N 1 0 327.428 2.726 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@]2(C)CCOC2)cc1C ZINC001045254904 1307178873 /nfs/dbraw/zinc/17/88/73/1307178873.db2.gz NEMJJWBZZVZXKJ-PXNSSMCTSA-N 1 0 346.471 2.511 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(CN2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC001209519677 1314178363 /nfs/dbraw/zinc/17/83/63/1314178363.db2.gz DQVIDRYEGQWXEM-UHFFFAOYSA-N 1 0 341.499 2.983 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CCN(C3COC3)CC2)cc1 ZINC001209517939 1314178382 /nfs/dbraw/zinc/17/83/82/1314178382.db2.gz IWNUZWBHIHSCLC-UHFFFAOYSA-N 1 0 325.456 2.611 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)cc1 ZINC001209516818 1314178723 /nfs/dbraw/zinc/17/87/23/1314178723.db2.gz PRKWZUZFUPTNKL-PMACEKPBSA-N 1 0 328.456 2.659 20 10 EFCDRO CCC[NH+]1CCC(C)(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001045647351 1307499194 /nfs/dbraw/zinc/49/91/94/1307499194.db2.gz BTFNMKIBVJVUQQ-UHFFFAOYSA-N 1 0 331.420 2.843 20 10 EFCDRO C[C@H]1CN(CC[N@H+](Cc2ccco2)Cc2ccccc2O)CCO1 ZINC000800355197 1307747769 /nfs/dbraw/zinc/74/77/69/1307747769.db2.gz CAVBDOUXBITMQQ-INIZCTEOSA-N 1 0 330.428 2.708 20 10 EFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000748962482 1314215388 /nfs/dbraw/zinc/21/53/88/1314215388.db2.gz BSYCTZTXVDBPOL-YJBOKZPZSA-N 1 0 332.492 2.767 20 10 EFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC000748962481 1314215119 /nfs/dbraw/zinc/21/51/19/1314215119.db2.gz BSYCTZTXVDBPOL-QAPCUYQASA-N 1 0 332.492 2.767 20 10 EFCDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)nn1C ZINC000800475280 1307921665 /nfs/dbraw/zinc/92/16/65/1307921665.db2.gz USENRKDJKBTCJO-JKSUJKDBSA-N 1 0 328.460 2.977 20 10 EFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@H]3CCC34CCC4)cc2)C1 ZINC000800477282 1307927233 /nfs/dbraw/zinc/92/72/33/1307927233.db2.gz UCCARENGCBWHJT-WMZOPIPTSA-N 1 0 327.472 2.811 20 10 EFCDRO CC[C@H]([NH2+]CC1(OCCO)CCOCC1)c1cc(Cl)ccc1O ZINC000800502002 1307989795 /nfs/dbraw/zinc/98/97/95/1307989795.db2.gz JNPDVZRYJYZPJQ-HNNXBMFYSA-N 1 0 343.851 2.644 20 10 EFCDRO C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc2ccccc2c1O ZINC000800502873 1307993068 /nfs/dbraw/zinc/99/30/68/1307993068.db2.gz YTYADXVYKGQMAS-HNNXBMFYSA-N 1 0 345.439 2.754 20 10 EFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N2CC=CC2)c1O ZINC001278357559 1314255772 /nfs/dbraw/zinc/25/57/72/1314255772.db2.gz LAEPEMKCQVEVJJ-IZZQQSIFSA-N 1 0 340.467 2.865 20 10 EFCDRO COC[C@H]1CN(Cc2cc(Cl)c(C(C)(C)C)cc2O)CC[NH2+]1 ZINC001210123114 1314285334 /nfs/dbraw/zinc/28/53/34/1314285334.db2.gz YVAUGPXCWRFCTP-CYBMUJFWSA-N 1 0 326.868 2.763 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)cc1Cl ZINC001276372539 1314288352 /nfs/dbraw/zinc/28/83/52/1314288352.db2.gz XHNYHTHUARQLSY-IRXDYDNUSA-N 1 0 346.862 2.926 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)C(C)(F)F)C2)cc1C ZINC001019397224 1314312935 /nfs/dbraw/zinc/31/29/35/1314312935.db2.gz OYRFKHKAMQWZKS-ZFWWWQNUSA-N 1 0 340.414 2.985 20 10 EFCDRO CC[C@H](F)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046868961 1309574438 /nfs/dbraw/zinc/57/44/38/1309574438.db2.gz JITCXHLTRQGJHP-SUMWQHHRSA-N 1 0 349.410 2.791 20 10 EFCDRO C[C@H](F)CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046869998 1309577759 /nfs/dbraw/zinc/57/77/59/1309577759.db2.gz RWOOEANHSRFNKE-YVEFUNNKSA-N 1 0 349.410 2.791 20 10 EFCDRO COC[C@H]1C[NH2+]CCN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001210543578 1314349362 /nfs/dbraw/zinc/34/93/62/1314349362.db2.gz FYLOGMGIIFETQT-GOSISDBHSA-N 1 0 330.403 2.619 20 10 EFCDRO CS(=O)(=O)N(c1ccc(N)cc1)C1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210714045 1314376196 /nfs/dbraw/zinc/37/61/96/1314376196.db2.gz IVRDSUDXZSYWFF-HNNXBMFYSA-N 1 0 335.473 2.567 20 10 EFCDRO CCCCN(Cc1ccccc1O)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000801546008 1310498707 /nfs/dbraw/zinc/49/87/07/1310498707.db2.gz HHCYNMVHPOSVPV-INIZCTEOSA-N 1 0 336.501 2.958 20 10 EFCDRO CCCC[N@H+](CC(=O)N1C[C@H](C)O[C@@H](C)C1)Cc1ccccc1O ZINC000801597078 1310575763 /nfs/dbraw/zinc/57/57/63/1310575763.db2.gz AEJILUWVSKHQPF-HOTGVXAUSA-N 1 0 334.460 2.630 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)C(C)(F)F)C2)cc1C ZINC001047669806 1311058762 /nfs/dbraw/zinc/05/87/62/1311058762.db2.gz CXJDYIQLYCGKBZ-UKRRQHHQSA-N 1 0 340.414 2.985 20 10 EFCDRO Clc1cc(CN2CCC[C@@]3(CCC[NH2+]3)C2)ccc1N1CCOCC1 ZINC001222353757 1311118494 /nfs/dbraw/zinc/11/84/94/1311118494.db2.gz GUWXLVYBGPTDKU-IBGZPJMESA-N 1 0 349.906 2.895 20 10 EFCDRO Fc1cc(N2CCOCC2)ccc1CN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222390889 1311123771 /nfs/dbraw/zinc/12/37/71/1311123771.db2.gz WPKKSTIEZOFVOG-FQEVSTJZSA-N 1 0 347.478 2.770 20 10 EFCDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000752151553 1311148249 /nfs/dbraw/zinc/14/82/49/1311148249.db2.gz JTJPEBIABBUAMI-NUJGCVRESA-N 1 0 346.471 2.773 20 10 EFCDRO Oc1ccc(F)c(F)c1CN1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609270 1311160242 /nfs/dbraw/zinc/16/02/42/1311160242.db2.gz MKJABOINBADPBV-OAHLLOKOSA-N 1 0 330.378 2.859 20 10 EFCDRO Oc1ccc(F)c(F)c1CN1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609264 1311160338 /nfs/dbraw/zinc/16/03/38/1311160338.db2.gz MKJABOINBADPBV-HNNXBMFYSA-N 1 0 330.378 2.859 20 10 EFCDRO Cc1cc(CN2CC[C@@H]3[NH2+]CCO[C@H]3C2)c(C)n1-c1ccccc1 ZINC001222696795 1311174361 /nfs/dbraw/zinc/17/43/61/1311174361.db2.gz KOFBHCDWBDRGPE-PMACEKPBSA-N 1 0 325.456 2.657 20 10 EFCDRO CN1CCO[C@]2(CCC[N@H+](Cc3cc(C(F)(F)F)ccc3O)C2)C1 ZINC001276837926 1311183087 /nfs/dbraw/zinc/18/30/87/1311183087.db2.gz JFNMMQDZFHLOAA-MRXNPFEDSA-N 1 0 344.377 2.708 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)c3cnco3)C2)cc1C ZINC001047922251 1311292384 /nfs/dbraw/zinc/29/23/84/1311292384.db2.gz VDKIDVAIQJOMRQ-ZBFHGGJFSA-N 1 0 343.427 2.632 20 10 EFCDRO CCN(C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc(O)c(O)c1)C(C)C ZINC001276914146 1311294927 /nfs/dbraw/zinc/29/49/27/1311294927.db2.gz ODWKSYRNXWITDS-LVFSCSRESA-N 1 0 346.471 2.859 20 10 EFCDRO CCOc1ccc(N2CCC[C@]3(CC[N@H+](CCN(C)C)C3)C2)cc1 ZINC001276926232 1311311867 /nfs/dbraw/zinc/31/18/67/1311311867.db2.gz OVTJXBZOWMGAAU-HXUWFJFHSA-N 1 0 331.504 2.939 20 10 EFCDRO COc1ccc(N2CC3(C2)CC[N@H+](Cc2cccc(=O)[nH]2)C3)cc1 ZINC001276926484 1311312136 /nfs/dbraw/zinc/31/21/36/1311312136.db2.gz DQUCUVDSMHNONY-UHFFFAOYSA-N 1 0 325.412 2.508 20 10 EFCDRO CCOc1ccc(N2CCC3(CC[N@H+](CCN(C)C)C3)CC2)cc1 ZINC001276926790 1311312547 /nfs/dbraw/zinc/31/25/47/1311312547.db2.gz XYHOHNFXUHGIHG-UHFFFAOYSA-N 1 0 331.504 2.939 20 10 EFCDRO COc1ccc(N2CCC[C@]3(CC[N@H+](CCn4ccnc4)C3)C2)cc1 ZINC001276927115 1311312731 /nfs/dbraw/zinc/31/27/31/1311312731.db2.gz LYCHDWBANLOFEU-HXUWFJFHSA-N 1 0 340.471 2.884 20 10 EFCDRO Cc1cc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)NC(C)(C)C)ccc1N(C)C ZINC001276929079 1311316476 /nfs/dbraw/zinc/31/64/76/1311316476.db2.gz JYMFFBKQTKNNCX-OXJNMPFZSA-N 1 0 329.488 2.940 20 10 EFCDRO Cc1cc(C[NH+]2CC3(C[C@@H]3C(=O)NC(C)(C)C)C2)ccc1N(C)C ZINC001276929459 1311317650 /nfs/dbraw/zinc/31/76/50/1311317650.db2.gz XXLOEMWTCZAVFC-MRXNPFEDSA-N 1 0 329.488 2.798 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CC3(C[C@@H]3C(=O)N3CCCC34CC4)C2)cc1 ZINC001276957983 1311363184 /nfs/dbraw/zinc/36/31/84/1311363184.db2.gz AXAHSPANGJBNDZ-GOSISDBHSA-N 1 0 339.483 2.730 20 10 EFCDRO COc1ccc(N2CCC[C@@]3(CC[N@H+](CCN(C)C)C3)C2)c(OC)c1 ZINC001276994188 1311430320 /nfs/dbraw/zinc/43/03/20/1311430320.db2.gz LLENWEOSKGUTAZ-FQEVSTJZSA-N 1 0 347.503 2.558 20 10 EFCDRO COCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001225057691 1311469928 /nfs/dbraw/zinc/46/99/28/1311469928.db2.gz JAKAUGDHQMDKCN-QZTJIDSGSA-N 1 0 348.487 2.947 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C(C)(C)F)C[C@H]2C)cc1C ZINC001048113352 1311471766 /nfs/dbraw/zinc/47/17/66/1311471766.db2.gz NFSKOQUDLOMAOI-GDBMZVCRSA-N 1 0 336.451 2.936 20 10 EFCDRO COc1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3CCn2ccnc2)c(C)c1 ZINC001277022576 1311487200 /nfs/dbraw/zinc/48/72/00/1311487200.db2.gz OJZUIZFAUGQNPR-CALCHBBNSA-N 1 0 326.444 2.553 20 10 EFCDRO COc1ccc(N2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c(C)c1 ZINC001277023579 1311488259 /nfs/dbraw/zinc/48/82/59/1311488259.db2.gz ZLFQHORPXUZHMB-UHFFFAOYSA-N 1 0 331.504 2.858 20 10 EFCDRO CC[C@@H](OC)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001225259297 1311496516 /nfs/dbraw/zinc/49/65/16/1311496516.db2.gz MYHPGBYQHDITMU-KZNAEPCWSA-N 1 0 348.487 2.946 20 10 EFCDRO COC[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001225347465 1311511024 /nfs/dbraw/zinc/51/10/24/1311511024.db2.gz YWIAJCDSIDUEIM-KBAYOESNSA-N 1 0 348.487 2.803 20 10 EFCDRO CCc1ncsc1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001159455548 1311519387 /nfs/dbraw/zinc/51/93/87/1311519387.db2.gz WSDWNCOODNWPGX-UHFFFAOYSA-N 1 0 347.484 2.932 20 10 EFCDRO CC[C@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001159626587 1311554652 /nfs/dbraw/zinc/55/46/52/1311554652.db2.gz AZGZTOOXLNYKCN-ZWKOTPCHSA-N 1 0 348.487 2.805 20 10 EFCDRO O=S(=O)(CCC[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000113329354 1311725465 /nfs/dbraw/zinc/72/54/65/1311725465.db2.gz HPHNKXKHHBWAII-UHFFFAOYSA-N 1 0 339.844 2.999 20 10 EFCDRO O=C(N1CC=CC1)[C@]12C[C@H]1CC[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001277211240 1311809311 /nfs/dbraw/zinc/80/93/11/1311809311.db2.gz HQFORVRZFYFOEF-NQIIRXRSSA-N 1 0 337.467 2.650 20 10 EFCDRO O=C([C@@H]1CC12C[NH+](Cc1ccc(N3CCCC3)cc1)C2)N1CC=CC1 ZINC001277211468 1311809463 /nfs/dbraw/zinc/80/94/63/1311809463.db2.gz LDIYMKMHFONLMC-IBGZPJMESA-N 1 0 337.467 2.507 20 10 EFCDRO CN1CCCc2cc(C[N@@H+]3CC[C@]4(CCC[C@@H]4C(N)=O)C3)ccc21 ZINC001277253788 1311875713 /nfs/dbraw/zinc/87/57/13/1311875713.db2.gz JOPVTQAHYHOTFN-YLJYHZDGSA-N 1 0 327.472 2.547 20 10 EFCDRO CC(=O)N1CCN(c2ccc(O[C@H]3CC[C@H]([NH+](C)C)CC3)cc2)CC1 ZINC001228200561 1311913610 /nfs/dbraw/zinc/91/36/10/1311913610.db2.gz HTIGCFKFXIOTON-UAPYVXQJSA-N 1 0 345.487 2.607 20 10 EFCDRO CC(=O)N1CCN(c2ccc(OC3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC001228200196 1311913802 /nfs/dbraw/zinc/91/38/02/1311913802.db2.gz DTIHQDRBNANEJB-UHFFFAOYSA-N 1 0 345.487 2.607 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cc(C)cc(C)n2)cc1C ZINC001161589794 1311923470 /nfs/dbraw/zinc/92/34/70/1311923470.db2.gz XVRYFNCDSBZLSN-UHFFFAOYSA-N 1 0 341.455 2.925 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]C23CC(C(=O)N(C)C)(C2)C3)c(OC)c1 ZINC001277295092 1311939154 /nfs/dbraw/zinc/93/91/54/1311939154.db2.gz AYUNGOSCAWNNOZ-UHFFFAOYSA-N 1 0 345.487 2.642 20 10 EFCDRO CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001048591590 1311943457 /nfs/dbraw/zinc/94/34/57/1311943457.db2.gz COBMEYFKOCUBEG-BZWBGLRVSA-N 1 0 343.431 2.842 20 10 EFCDRO CCOC(=O)C(=Cc1cc(C)c(C)nc1NCC[NH+](C)C)N=[N+]=[N-] ZINC001161666031 1311945306 /nfs/dbraw/zinc/94/53/06/1311945306.db2.gz CJDBGTJXVGGDKM-UVTDQMKNSA-N 1 0 332.408 2.886 20 10 EFCDRO COc1ccc2c(c1O[C@@H](C)C[NH+](C)C)C(=O)c1ccccc1C2=O ZINC001229242645 1312066483 /nfs/dbraw/zinc/06/64/83/1312066483.db2.gz LKZPRCDIGJCGTG-LBPRGKRZSA-N 1 0 339.391 2.800 20 10 EFCDRO O=C([C@@H]1CC12CC[NH+](Cc1ccccc1O)CC2)N1CCCCO1 ZINC001277445142 1312185609 /nfs/dbraw/zinc/18/56/09/1312185609.db2.gz BGEMNNPKOMFITI-INIZCTEOSA-N 1 0 330.428 2.548 20 10 EFCDRO COc1cccc(C[NH+]2CCC3(C=C(C(=O)N(C)C)CC3)CC2)c1O ZINC001277452694 1312217176 /nfs/dbraw/zinc/21/71/76/1312217176.db2.gz YMTFBRPUAFNCBQ-UHFFFAOYSA-N 1 0 344.455 2.791 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@]3(CCC[C@H]3C(=O)N(C)C)C2)c1O ZINC001277454497 1312230763 /nfs/dbraw/zinc/23/07/63/1312230763.db2.gz UIINLRIMEKWAPW-OXJNMPFZSA-N 1 0 346.471 2.871 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@]3(CCC[C@@H]3C(=O)N(C)C)C2)c1O ZINC001277454498 1312231083 /nfs/dbraw/zinc/23/10/83/1312231083.db2.gz UIINLRIMEKWAPW-OXQOHEQNSA-N 1 0 346.471 2.871 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C(N)=O)[C@@H]2c2ccccc2)c1O ZINC001277454720 1312231752 /nfs/dbraw/zinc/23/17/52/1312231752.db2.gz YOBBJAUHQSSOSM-AEFFLSMTSA-N 1 0 340.423 2.839 20 10 EFCDRO COc1ccc(C[NH+]2CCC3(CC[C@@H](C(=O)N(C)C)C3)CC2)c(O)c1 ZINC001277458390 1312253735 /nfs/dbraw/zinc/25/37/35/1312253735.db2.gz WYFQIUPXKNARAQ-OAHLLOKOSA-N 1 0 346.471 2.871 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)OCC(F)(F)F)[NH+](C)C)cc1 ZINC000903046741 1312307887 /nfs/dbraw/zinc/30/78/87/1312307887.db2.gz YQZSZCQMOLQSRP-CYBMUJFWSA-N 1 0 333.354 2.644 20 10 EFCDRO CCN(C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc(OC)ccc1O)C(C)C ZINC001277462854 1312311831 /nfs/dbraw/zinc/31/18/31/1312311831.db2.gz ZENKMRJUSNJEDS-HNAYVOBHSA-N 1 0 332.444 2.622 20 10 EFCDRO CC[C@H]([NH2+]CCN1Cc2ccccc2OCC1=O)c1ccccc1O ZINC000903181751 1312437910 /nfs/dbraw/zinc/43/79/10/1312437910.db2.gz UVMLZBADSDSAOV-KRWDZBQOSA-N 1 0 340.423 2.854 20 10 EFCDRO C[NH+]1CCC(Oc2cc(O)ccc2C(=O)c2ccc(O)c(O)c2)CC1 ZINC001231341948 1312480386 /nfs/dbraw/zinc/48/03/86/1312480386.db2.gz RLIOAODBNGRWLL-UHFFFAOYSA-N 1 0 343.379 2.507 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@H]3CN(Cc4ccc[nH]4)C[C@H]32)c1O ZINC001277519373 1312499486 /nfs/dbraw/zinc/49/94/86/1312499486.db2.gz UWWFEVOQFVJMJJ-KBXCAEBGSA-N 1 0 329.419 2.874 20 10 EFCDRO C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231452105 1312500500 /nfs/dbraw/zinc/50/05/00/1312500500.db2.gz ALRXOULQPXLOBQ-DLBZAZTESA-N 1 0 332.444 2.929 20 10 EFCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001231465561 1312504571 /nfs/dbraw/zinc/50/45/71/1312504571.db2.gz FFZKGFFBYJKPDM-MJGOQNOKSA-N 1 0 331.387 2.876 20 10 EFCDRO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000903267210 1312523233 /nfs/dbraw/zinc/52/32/33/1312523233.db2.gz BRRXGVCVDIVTGS-JGGQBBKZSA-N 1 0 336.432 2.677 20 10 EFCDRO CCC1(O)CC[NH+](Cc2c(Br)ccc(OC)c2O)CC1 ZINC001231553679 1312524501 /nfs/dbraw/zinc/52/45/01/1312524501.db2.gz AMPFVASWHHNNLH-UHFFFAOYSA-N 1 0 344.249 2.900 20 10 EFCDRO COc1ccc(Br)c(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c1O ZINC001231553741 1312524571 /nfs/dbraw/zinc/52/45/71/1312524571.db2.gz BUTJCSMYIFAWBL-UWVGGRQHSA-N 1 0 330.222 2.509 20 10 EFCDRO COc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1O ZINC001231558250 1312525300 /nfs/dbraw/zinc/52/53/00/1312525300.db2.gz ZVIYKHVIIYYZLH-CYBMUJFWSA-N 1 0 344.249 2.899 20 10 EFCDRO COc1ccc(Br)c(C[N@@H+]2CCC[C@@H](C(C)=O)C2)c1O ZINC001231558241 1312525315 /nfs/dbraw/zinc/52/53/15/1312525315.db2.gz ZGPFBYALBILMHF-LLVKDONJSA-N 1 0 342.233 2.964 20 10 EFCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001231590651 1312528979 /nfs/dbraw/zinc/52/89/79/1312528979.db2.gz CYOWWOZGPJNNRQ-RBUKOAKNSA-N 1 0 344.430 2.790 20 10 EFCDRO Cc1cccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001231590639 1312529001 /nfs/dbraw/zinc/52/90/01/1312529001.db2.gz CRFULAVQHPMORN-PHZGNYQRSA-N 1 0 332.444 2.903 20 10 EFCDRO COC(=O)CC[C@H]1COCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231589993 1312529005 /nfs/dbraw/zinc/52/90/05/1312529005.db2.gz XNDYNOWNPVONBZ-HNNXBMFYSA-N 1 0 329.396 2.699 20 10 EFCDRO COc1cc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)c(O)cc1O ZINC001231634014 1312536009 /nfs/dbraw/zinc/53/60/09/1312536009.db2.gz GBWCKBPNSFSPAG-QGZVFWFLSA-N 1 0 342.439 2.813 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H]2COCc2ccccc2)c(O)cc1O ZINC001231634971 1312536285 /nfs/dbraw/zinc/53/62/85/1312536285.db2.gz CBEJPSGZMCUPOY-MRXNPFEDSA-N 1 0 329.396 2.898 20 10 EFCDRO CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231635442 1312536409 /nfs/dbraw/zinc/53/64/09/1312536409.db2.gz ZACAPLVXCDLBAB-SFHVURJKSA-N 1 0 337.416 2.662 20 10 EFCDRO COc1cc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)c(O)cc1O ZINC001231634586 1312536419 /nfs/dbraw/zinc/53/64/19/1312536419.db2.gz OTEOUWUDABSTGP-INIZCTEOSA-N 1 0 328.412 2.595 20 10 EFCDRO COc1cc(CN2CC[C@H]([NH+]3CCCCC3)[C@@H](F)C2)c(O)cc1O ZINC001231637516 1312536648 /nfs/dbraw/zinc/53/66/48/1312536648.db2.gz IHIMYHJWPLYWAY-GJZGRUSLSA-N 1 0 338.423 2.505 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c(O)cc1O ZINC001231639743 1312538049 /nfs/dbraw/zinc/53/80/49/1312538049.db2.gz IMOZXYWWQXZKIT-HNNXBMFYSA-N 1 0 333.359 2.899 20 10 EFCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2cc(OC)c(O)cc2O)C[C@H]1C ZINC001231640909 1312538909 /nfs/dbraw/zinc/53/89/09/1312538909.db2.gz WGUBAOGQSWHDDK-OLZOCXBDSA-N 1 0 337.416 2.518 20 10 EFCDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000903299786 1312550314 /nfs/dbraw/zinc/55/03/14/1312550314.db2.gz RFKIARICWKZBNY-GAJTVXKRSA-N 1 0 330.222 2.609 20 10 EFCDRO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NC3CCC(F)CC3)C2)c(O)c1 ZINC001277567679 1312565994 /nfs/dbraw/zinc/56/59/94/1312565994.db2.gz HGEAXKMFNSJUHY-FLAIETJXSA-N 1 0 346.446 2.919 20 10 EFCDRO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CC(F)(C3CC3)C2)c(O)c1 ZINC001277568653 1312567857 /nfs/dbraw/zinc/56/78/57/1312567857.db2.gz UGLRAQCOZQHOCT-OXJNMPFZSA-N 1 0 344.430 2.626 20 10 EFCDRO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N2CC=CC2)c(O)c1 ZINC001277569310 1312568651 /nfs/dbraw/zinc/56/86/51/1312568651.db2.gz ZGPZGFOLZOIITB-IZZQQSIFSA-N 1 0 326.440 2.557 20 10 EFCDRO Cc1cc(C)c(C[NH+]2CCC(NC(=O)C(F)(F)F)CC2)c(O)c1 ZINC001231846217 1312573352 /nfs/dbraw/zinc/57/33/52/1312573352.db2.gz ICVNWASELRJMPS-UHFFFAOYSA-N 1 0 330.350 2.652 20 10 EFCDRO Cc1cc(C)c(C[NH+]2C[C@H]3CN(C(=O)c4ccco4)C[C@@H]3C2)c(O)c1 ZINC001231844904 1312573599 /nfs/dbraw/zinc/57/35/99/1312573599.db2.gz QMNBSCXPQCPCJY-HOTGVXAUSA-N 1 0 340.423 2.806 20 10 EFCDRO Cc1cc(C)c(C[NH+]2CCN(CCc3ccncc3)CC2)c(O)c1 ZINC001231845474 1312573627 /nfs/dbraw/zinc/57/36/27/1312573627.db2.gz MKEXWDVNDGZQBD-UHFFFAOYSA-N 1 0 325.456 2.764 20 10 EFCDRO Cc1cc(C)c(C[N@@H+]2CC3CC2(C(=O)NCc2ccco2)C3)c(O)c1 ZINC001231844509 1312573702 /nfs/dbraw/zinc/57/37/02/1312573702.db2.gz KOOSKKQOGOOGHN-UHFFFAOYSA-N 1 0 340.423 2.883 20 10 EFCDRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(N(C)C)cc1OC)C2 ZINC001231851599 1312573929 /nfs/dbraw/zinc/57/39/29/1312573929.db2.gz AEOZFLBAHFIAKF-UXHICEINSA-N 1 0 348.487 2.779 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001231849734 1312574205 /nfs/dbraw/zinc/57/42/05/1312574205.db2.gz XOEKLPMPHBBXRK-MLGOLLRUSA-N 1 0 346.393 2.896 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001231851468 1312574241 /nfs/dbraw/zinc/57/42/41/1312574241.db2.gz HURFZSBTKPZWDO-HNNXBMFYSA-N 1 0 349.475 2.860 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001231853702 1312575139 /nfs/dbraw/zinc/57/51/39/1312575139.db2.gz ODNTTXBHCQZJOS-OAHLLOKOSA-N 1 0 334.460 2.925 20 10 EFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC001231855044 1312575987 /nfs/dbraw/zinc/57/59/87/1312575987.db2.gz PWGMLPRYVUXTFO-UHFFFAOYSA-N 1 0 341.455 2.789 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001231855065 1312576003 /nfs/dbraw/zinc/57/60/03/1312576003.db2.gz PZDCJSUZRBUDLR-MRXNPFEDSA-N 1 0 326.387 2.761 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@H+](C(C)C)[C@H]1CCN(C(C)=O)C1 ZINC001231857258 1312576124 /nfs/dbraw/zinc/57/61/24/1312576124.db2.gz HJMYVXJXJVBFAD-SFHVURJKSA-N 1 0 333.476 2.592 20 10 EFCDRO CCOC(=O)[C@@H]1CCN(Cc2cc(Cl)c(C)cc2O)CCC1=O ZINC001231869346 1312578404 /nfs/dbraw/zinc/57/84/04/1312578404.db2.gz MDGHEVGPSMFTNC-CYBMUJFWSA-N 1 0 339.819 2.698 20 10 EFCDRO CCNC(=O)COC1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC001231884086 1312580830 /nfs/dbraw/zinc/58/08/30/1312580830.db2.gz VYSAUAKBLAKZKK-UHFFFAOYSA-N 1 0 342.439 2.663 20 10 EFCDRO C[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1cc(Cl)ccc1O ZINC000903372632 1312607892 /nfs/dbraw/zinc/60/78/92/1312607892.db2.gz MJCSEZLXUZVQOJ-LBPRGKRZSA-N 1 0 341.835 2.744 20 10 EFCDRO C[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1cc(Cl)ccc1O ZINC000903372631 1312608076 /nfs/dbraw/zinc/60/80/76/1312608076.db2.gz MJCSEZLXUZVQOJ-GFCCVEGCSA-N 1 0 341.835 2.744 20 10 EFCDRO CCN1CCC[C@H]([NH2+][C@H](C)c2cc(Br)ccc2O)C1=O ZINC000903392348 1312627798 /nfs/dbraw/zinc/62/77/98/1312627798.db2.gz QVGNUUPDTHQWPX-MFKMUULPSA-N 1 0 341.249 2.816 20 10 EFCDRO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)C1=O ZINC000903392559 1312627900 /nfs/dbraw/zinc/62/79/00/1312627900.db2.gz UOXFFGZVMBFBDD-GXFFZTMASA-N 1 0 341.249 2.816 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@]1(C)O ZINC001232194569 1312646401 /nfs/dbraw/zinc/64/64/01/1312646401.db2.gz JXPCRFOOITZGRZ-KSSFIOAISA-N 1 0 338.879 2.769 20 10 EFCDRO Clc1cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)ccc1N1CCOCC1 ZINC001232194229 1312646623 /nfs/dbraw/zinc/64/66/23/1312646623.db2.gz FRMKNYLWLPOOAQ-GOSISDBHSA-N 1 0 336.863 2.789 20 10 EFCDRO C[N@H+](C1CC1)[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232200895 1312647049 /nfs/dbraw/zinc/64/70/49/1312647049.db2.gz FHINJUBJSQTHBB-QGZVFWFLSA-N 1 0 349.906 2.845 20 10 EFCDRO CC[NH+]1C[C@H]2CN(Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@@H]2C1 ZINC001232201269 1312647962 /nfs/dbraw/zinc/64/79/62/1312647962.db2.gz ITTMLQKYLFQLOJ-IRXDYDNUSA-N 1 0 349.906 2.560 20 10 EFCDRO C[N@@H+]1C[C@H]2CCCN(Cc3ccc(N4CCOCC4)c(Cl)c3)[C@@H]2C1 ZINC001232203455 1312648442 /nfs/dbraw/zinc/64/84/42/1312648442.db2.gz WDTGVFLVQKHYST-VQIMIIECSA-N 1 0 349.906 2.703 20 10 EFCDRO C[N@@H+]1C[C@H]2CCCN(Cc3ccc(N4CCOCC4)c(Cl)c3)[C@H]2C1 ZINC001232203451 1312648843 /nfs/dbraw/zinc/64/88/43/1312648843.db2.gz WDTGVFLVQKHYST-APWZRJJASA-N 1 0 349.906 2.703 20 10 EFCDRO CC[N@@H+]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C[C@H]1C ZINC001232203692 1312648995 /nfs/dbraw/zinc/64/89/95/1312648995.db2.gz FPSOUJZULPPHTD-OAHLLOKOSA-N 1 0 337.895 2.703 20 10 EFCDRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232260301 1312659825 /nfs/dbraw/zinc/65/98/25/1312659825.db2.gz VAWJRHNXGKBITF-IAGOWNOFSA-N 1 0 341.835 2.769 20 10 EFCDRO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232261170 1312660688 /nfs/dbraw/zinc/66/06/88/1312660688.db2.gz WENWODJQNLNPSW-NSHDSACASA-N 1 0 327.808 2.916 20 10 EFCDRO CC(C)C(=O)N(C)C1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232263153 1312661315 /nfs/dbraw/zinc/66/13/15/1312661315.db2.gz IEURQXMWYMBVPV-UHFFFAOYSA-N 1 0 340.851 2.830 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3cnccn3)C2)cc1Cl ZINC001232266171 1312661631 /nfs/dbraw/zinc/66/16/31/1312661631.db2.gz RBJMQENVCGMUPT-LBPRGKRZSA-N 1 0 335.791 2.585 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1Cl ZINC001232265245 1312661691 /nfs/dbraw/zinc/66/16/91/1312661691.db2.gz RTSNMIQQFDFKLH-UHFFFAOYSA-N 1 0 338.835 2.545 20 10 EFCDRO Cc1cncnc1O[C@@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232266216 1312661961 /nfs/dbraw/zinc/66/19/61/1312661961.db2.gz RRVVOKBBYIOFGE-CYBMUJFWSA-N 1 0 349.818 2.893 20 10 EFCDRO Cc1c[nH+]ccc1N1CCN(Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232266569 1312662175 /nfs/dbraw/zinc/66/21/75/1312662175.db2.gz WQTVAVVNXLEYKE-UHFFFAOYSA-N 1 0 333.819 2.777 20 10 EFCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232269510 1312662499 /nfs/dbraw/zinc/66/24/99/1312662499.db2.gz CMLBCWOOOLLSNB-INIZCTEOSA-N 1 0 327.808 2.829 20 10 EFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2O)[C@@H]1C ZINC001232269539 1312662547 /nfs/dbraw/zinc/66/25/47/1312662547.db2.gz CZFQTAZJUWQCPN-PWSUYJOCSA-N 1 0 327.808 2.828 20 10 EFCDRO COc1cc(O)c(C[N@H+](C(C)C)[C@H]2CCN(C(C)=O)C2)cc1Cl ZINC001232269421 1312662588 /nfs/dbraw/zinc/66/25/88/1312662588.db2.gz ZAKQUBJCLXNFQT-AWEZNQCLSA-N 1 0 340.851 2.885 20 10 EFCDRO COc1cc(O)c(C[N@H+](C(C)C)[C@@H]2CCN(C(C)=O)C2)cc1Cl ZINC001232269422 1312662894 /nfs/dbraw/zinc/66/28/94/1312662894.db2.gz ZAKQUBJCLXNFQT-CQSZACIVSA-N 1 0 340.851 2.885 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3ncc(C)cn3)C2)cc1Cl ZINC001232271204 1312663776 /nfs/dbraw/zinc/66/37/76/1312663776.db2.gz QSDASIXKCGKWHP-CYBMUJFWSA-N 1 0 349.818 2.806 20 10 EFCDRO C[C@@H](F)CC[NH2+][C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001211346206 1314480510 /nfs/dbraw/zinc/48/05/10/1314480510.db2.gz NMAPVJONZQIQNO-IUODEOHRSA-N 1 0 349.410 2.791 20 10 EFCDRO CC[C@H](F)C[NH2+][C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001211344939 1314480650 /nfs/dbraw/zinc/48/06/50/1314480650.db2.gz HCPJTPPBABBHPB-ZFWWWQNUSA-N 1 0 349.410 2.791 20 10 EFCDRO C[C@H](F)CC[NH2+][C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001211346210 1314480690 /nfs/dbraw/zinc/48/06/90/1314480690.db2.gz NMAPVJONZQIQNO-SWLSCSKDSA-N 1 0 349.410 2.791 20 10 EFCDRO C[C@H](F)CC[NH2+][C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001211346212 1314480725 /nfs/dbraw/zinc/48/07/25/1314480725.db2.gz NMAPVJONZQIQNO-WFASDCNBSA-N 1 0 349.410 2.791 20 10 EFCDRO CCn1cccc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001019779989 1314496193 /nfs/dbraw/zinc/49/61/93/1314496193.db2.gz CKJNVFAEPKZIRU-KRWDZBQOSA-N 1 0 341.455 2.829 20 10 EFCDRO CCc1ocnc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001020040137 1314580617 /nfs/dbraw/zinc/58/06/17/1314580617.db2.gz QMBFXZGIPGDJKI-SHTZXODSSA-N 1 0 343.427 2.605 20 10 EFCDRO CCOC1CC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)C1 ZINC001020123342 1314620769 /nfs/dbraw/zinc/62/07/69/1314620769.db2.gz QNTAZOBARWECES-GFHJVICUSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCSC)C[C@H]2C)cc1C ZINC001214116343 1314647076 /nfs/dbraw/zinc/64/70/76/1314647076.db2.gz OELPBKNPQULUOO-GDBMZVCRSA-N 1 0 336.501 2.693 20 10 EFCDRO CCO[C@@H](CC)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001214262168 1314667961 /nfs/dbraw/zinc/66/79/61/1314667961.db2.gz PRTUJPVANZMXRK-NXHRZFHOSA-N 1 0 348.487 2.755 20 10 EFCDRO CC[C@H]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)O1 ZINC001020207490 1314669367 /nfs/dbraw/zinc/66/93/67/1314669367.db2.gz HOUKARLOIQBTDA-DWRORGKVSA-N 1 0 346.471 2.698 20 10 EFCDRO CCCCOCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001214387040 1314685290 /nfs/dbraw/zinc/68/52/90/1314685290.db2.gz QSQPQFAOBAPNHP-SJLPKXTDSA-N 1 0 348.487 2.757 20 10 EFCDRO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001020256056 1314691481 /nfs/dbraw/zinc/69/14/81/1314691481.db2.gz JJAXQROKLCTBBA-MTNOOBJLSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3[nH]c(C)cc3C)C2)cc1C ZINC001020299829 1314719126 /nfs/dbraw/zinc/71/91/26/1314719126.db2.gz GNNNRRSXODLSLK-QAQDUYKDSA-N 1 0 341.455 2.999 20 10 EFCDRO C[C@H]1CC[C@H](N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C[NH2+]1 ZINC001246997195 1314727286 /nfs/dbraw/zinc/72/72/86/1314727286.db2.gz ROMGJOLNJMTKKB-ZFWWWQNUSA-N 1 0 343.393 2.848 20 10 EFCDRO COc1cc2nc(-c3ccc(N4CC[NH2+]CC4)cc3)[nH]c2cc1OC ZINC001247021761 1314732736 /nfs/dbraw/zinc/73/27/36/1314732736.db2.gz YUGRZALTRVGJBF-UHFFFAOYSA-N 1 0 338.411 2.657 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3CC[NH2+]C[C@H]3O)n2)cc1 ZINC001247757904 1314835518 /nfs/dbraw/zinc/83/55/18/1314835518.db2.gz UFUUVWLLDLLCRK-IAGOWNOFSA-N 1 0 338.411 2.582 20 10 EFCDRO COc1cc(I)cc(C[N@H+](C)C(C)C)c1O ZINC001248385946 1314930559 /nfs/dbraw/zinc/93/05/59/1314930559.db2.gz FFDSOSDTPJURSE-UHFFFAOYSA-N 1 0 335.185 2.846 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCCC2)cc1I ZINC001248459516 1314935168 /nfs/dbraw/zinc/93/51/68/1314935168.db2.gz XQVPMWPSXBDTFH-UHFFFAOYSA-N 1 0 333.169 2.601 20 10 EFCDRO COc1cc(O)c(CN2CC[C@@H]2C)cc1I ZINC001248462008 1314937225 /nfs/dbraw/zinc/93/72/25/1314937225.db2.gz JZVMGCWKKFNPKJ-QMMMGPOBSA-N 1 0 333.169 2.600 20 10 EFCDRO COCC[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001216794177 1315008563 /nfs/dbraw/zinc/00/85/63/1315008563.db2.gz YUUMSXWSSSDPHC-YXJHDRRASA-N 1 0 348.487 2.613 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)c(O)c1 ZINC001249171601 1315028426 /nfs/dbraw/zinc/02/84/26/1315028426.db2.gz DDAMLJBBQPYHOW-CQSZACIVSA-N 1 0 331.334 2.677 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(O)c1 ZINC001249201583 1315032752 /nfs/dbraw/zinc/03/27/52/1315032752.db2.gz ZEAMOIAFNHOFOW-ZDUSSCGKSA-N 1 0 331.334 2.882 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)c(O)c1 ZINC001249201456 1315033048 /nfs/dbraw/zinc/03/30/48/1315033048.db2.gz SSKMZJYCHXUFJL-GOSISDBHSA-N 1 0 340.423 2.710 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCc3c(cccc3OC)C2)c(O)c1 ZINC001249214040 1315033621 /nfs/dbraw/zinc/03/36/21/1315033621.db2.gz DIJORTYGWYRFQE-UHFFFAOYSA-N 1 0 341.407 2.675 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCc3cc(F)ccc3C2)c(O)c1 ZINC001249214367 1315033842 /nfs/dbraw/zinc/03/38/42/1315033842.db2.gz KOCUBOSPJBCVOQ-UHFFFAOYSA-N 1 0 329.371 2.805 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCc3cc(C)ccc3C2)c(O)c1 ZINC001249216667 1315033986 /nfs/dbraw/zinc/03/39/86/1315033986.db2.gz GVZNKCIZJXDDQC-UHFFFAOYSA-N 1 0 325.408 2.974 20 10 EFCDRO COC(=O)Cc1ccc(C[NH+]2CCC3(CCCOC3)CC2)c(O)c1 ZINC001249215296 1315034054 /nfs/dbraw/zinc/03/40/54/1315034054.db2.gz ZQWWQZDFFPFKEZ-UHFFFAOYSA-N 1 0 333.428 2.500 20 10 EFCDRO COC(=O)C1CC[NH+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249230308 1315035924 /nfs/dbraw/zinc/03/59/24/1315035924.db2.gz BWDNTPHFOWFDLY-UHFFFAOYSA-N 1 0 331.412 2.961 20 10 EFCDRO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249237298 1315037648 /nfs/dbraw/zinc/03/76/48/1315037648.db2.gz AYKQPYMYYQRUBI-HZPDHXFCSA-N 1 0 342.439 2.772 20 10 EFCDRO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249244637 1315038254 /nfs/dbraw/zinc/03/82/54/1315038254.db2.gz KFDMKDOWBSKLOJ-OAHLLOKOSA-N 1 0 330.428 2.677 20 10 EFCDRO CC1(C)C=Cc2c(O)c(C[NH+]3CCC(C)(C(N)=O)CC3)ccc2O1 ZINC001249244651 1315038444 /nfs/dbraw/zinc/03/84/44/1315038444.db2.gz KVBPFVFLYRMJOR-UHFFFAOYSA-N 1 0 330.428 2.664 20 10 EFCDRO Cc1nc(C)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000038635183 1315039543 /nfs/dbraw/zinc/03/95/43/1315039543.db2.gz CAIFTJZJTBREOX-MRXNPFEDSA-N 1 0 346.500 2.859 20 10 EFCDRO CC(=O)N1CCN(Cc2ccc3c(c2O)C=CC(C)(C)O3)[C@@H](C)C1 ZINC001249252613 1315039829 /nfs/dbraw/zinc/03/98/29/1315039829.db2.gz NJNSFTPYJSRJCC-ZDUSSCGKSA-N 1 0 330.428 2.629 20 10 EFCDRO COc1c(F)cccc1-c1noc(C[C@@H]([NH3+])c2ccccc2O)n1 ZINC001249339566 1315056267 /nfs/dbraw/zinc/05/62/67/1315056267.db2.gz LTOFLNHRPYMABA-CYBMUJFWSA-N 1 0 329.331 2.832 20 10 EFCDRO COc1cc(Cl)cnc1-c1noc(C[C@@H]([NH3+])c2ccccc2O)n1 ZINC001249338947 1315056288 /nfs/dbraw/zinc/05/62/88/1315056288.db2.gz KZSRPXUGBIGRNV-LLVKDONJSA-N 1 0 346.774 2.742 20 10 EFCDRO c1ccn(-c2ccc(-c3nnc([C@@H]4C[C@@H]5CC[NH2+]C[C@H]5O4)o3)cc2)c1 ZINC001217706693 1315104030 /nfs/dbraw/zinc/10/40/30/1315104030.db2.gz FVJIGISEYFTIMU-BHYGNILZSA-N 1 0 336.395 2.967 20 10 EFCDRO C[C@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCN(Cc2ccccc2)C1 ZINC000406140170 1315112408 /nfs/dbraw/zinc/11/24/08/1315112408.db2.gz QDOQGHKTUUBBBQ-FQEVSTJZSA-N 1 0 340.423 2.875 20 10 EFCDRO C[NH2+][C@H]1C[C@H](Oc2cc(C)cc3c2C(=O)c2c(O)cccc2C3=O)C1 ZINC001217949941 1315124125 /nfs/dbraw/zinc/12/41/25/1315124125.db2.gz BPVQHNQMRQWLSC-HAQNSBGRSA-N 1 0 337.375 2.605 20 10 EFCDRO O=C(c1ccccc1)c1ccc(O)c(O)c1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217978602 1315128374 /nfs/dbraw/zinc/12/83/74/1315128374.db2.gz QQPVBUNOJFVYOH-ZBFHGGJFSA-N 1 0 345.370 2.798 20 10 EFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CC[C@@H](C(C)=O)C2)c(O)c1 ZINC001249743325 1315129347 /nfs/dbraw/zinc/12/93/47/1315129347.db2.gz KJMSMNKUGGGACG-OAHLLOKOSA-N 1 0 349.427 2.525 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3CC[C@@]34CC[NH2+]C4)ccc21 ZINC001218120854 1315151661 /nfs/dbraw/zinc/15/16/61/1315151661.db2.gz USRQIARTKHSGRV-NQIIRXRSSA-N 1 0 333.387 2.983 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@H]3CC[C@]34CC[NH2+]C4)ccc21 ZINC001218120844 1315151842 /nfs/dbraw/zinc/15/18/42/1315151842.db2.gz USRQIARTKHSGRV-GHTZIAJQSA-N 1 0 333.387 2.983 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@H]3C[C@H]4C[NH2+]C[C@H]4C3)ccc21 ZINC001218136651 1315153877 /nfs/dbraw/zinc/15/38/77/1315153877.db2.gz YSVFXDTVVHVOED-AGGWBTHJSA-N 1 0 333.387 2.839 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2CC[C@H]3[C@@H]2CC[N@H+]3C)c1 ZINC001276775078 1315160295 /nfs/dbraw/zinc/16/02/95/1315160295.db2.gz DRKWUSUODMLWRT-KBPBESRZSA-N 1 0 325.250 2.742 20 10 EFCDRO CC1(C)CC(Oc2ccc(N3CC[NH2+]CC3)cc2)CC(C)(C)N1O ZINC001218215993 1315165450 /nfs/dbraw/zinc/16/54/50/1315165450.db2.gz JTNRVOXOZDGAPQ-UHFFFAOYSA-N 1 0 333.476 2.886 20 10 EFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3CCC4(C[NH2+]C4)C3)cccc21 ZINC001218233831 1315168045 /nfs/dbraw/zinc/16/80/45/1315168045.db2.gz AOYYRNAHOOONRM-GFCCVEGCSA-N 1 0 349.386 2.689 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CCC4(C[NH2+]C4)C3)ccc(O)c21 ZINC001218234794 1315168094 /nfs/dbraw/zinc/16/80/94/1315168094.db2.gz KLSLBXSETWWGMW-GFCCVEGCSA-N 1 0 349.386 2.689 20 10 EFCDRO Cc1cc(O[C@H]2CCC23C[NH2+]C3)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218242139 1315169550 /nfs/dbraw/zinc/16/95/50/1315169550.db2.gz NVOKLGHBEIRONK-INIZCTEOSA-N 1 0 349.386 2.607 20 10 EFCDRO COc1ccc2c(c1O[C@H]1CCC13C[NH2+]C3)C(=O)c1ccccc1C2=O ZINC001218241402 1315169822 /nfs/dbraw/zinc/16/98/22/1315169822.db2.gz JQQNPIUPYXYCBM-INIZCTEOSA-N 1 0 349.386 2.601 20 10 EFCDRO CC[N@@H+]1CCCN(Cc2cc(C)c(Br)cc2O)CC1 ZINC001250120447 1315174586 /nfs/dbraw/zinc/17/45/86/1315174586.db2.gz DNUTVBWXMKUEIG-UHFFFAOYSA-N 1 0 327.266 2.991 20 10 EFCDRO CC/C=C\CCOC(=O)[C@@H](C)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218293385 1315174951 /nfs/dbraw/zinc/17/49/51/1315174951.db2.gz YJWWPFZSQLYTCB-YIEVGGLXSA-N 1 0 332.444 2.763 20 10 EFCDRO Cc1cc(CN2CC([NH+]3CCCC3)C2)c(O)cc1Br ZINC001250128977 1315176941 /nfs/dbraw/zinc/17/69/41/1315176941.db2.gz SLBPDUICSWDUFZ-UHFFFAOYSA-N 1 0 325.250 2.743 20 10 EFCDRO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(O)cc1Br ZINC001250133182 1315177112 /nfs/dbraw/zinc/17/71/12/1315177112.db2.gz JPVAVVCMHKUUKU-BETUJISGSA-N 1 0 325.250 2.742 20 10 EFCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(C)c(Br)cc2O)C1 ZINC001250135442 1315177606 /nfs/dbraw/zinc/17/76/06/1315177606.db2.gz AFRQKYBYBUCZNH-OAHLLOKOSA-N 1 0 342.233 2.848 20 10 EFCDRO Cc1cc(CN2CCC[C@H]2C(=O)N(C)C)c(O)cc1Br ZINC001250134187 1315177617 /nfs/dbraw/zinc/17/76/17/1315177617.db2.gz XGHPIRNIXGPFRF-ZDUSSCGKSA-N 1 0 341.249 2.516 20 10 EFCDRO C[C@H]1CC[C@@H](Oc2ccc(O)c3c2C(=O)c2ccccc2C3=O)C[NH2+]1 ZINC001218400750 1315189869 /nfs/dbraw/zinc/18/98/69/1315189869.db2.gz WBGZJMQBTLLYQB-NWDGAFQWSA-N 1 0 337.375 2.687 20 10 EFCDRO COC(=O)C1=C[C@H](Oc2ccc(N)cc2)C[N@H+](Cc2ccccc2)C1 ZINC001218447879 1315197108 /nfs/dbraw/zinc/19/71/08/1315197108.db2.gz KZKDEYCTWWOIGQ-IBGZPJMESA-N 1 0 338.407 2.631 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3C[NH2+]CCC3(F)F)cccc21 ZINC001218448244 1315197429 /nfs/dbraw/zinc/19/74/29/1315197429.db2.gz NPQPKELIJDEPGQ-HNNXBMFYSA-N 1 0 343.329 2.838 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3CC[C@H]4C[NH2+]C[C@@H]43)ccc21 ZINC001218465407 1315200769 /nfs/dbraw/zinc/20/07/69/1315200769.db2.gz JFLMAPNHYGJTBB-YXKWSERDSA-N 1 0 333.387 2.839 20 10 EFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]34)cccc21 ZINC001218473852 1315201709 /nfs/dbraw/zinc/20/17/09/1315201709.db2.gz SBCXFJXYBLTMHP-DJSGYFEHSA-N 1 0 349.386 2.544 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CC[C@@H]4C[NH2+]C[C@H]34)cccc21 ZINC001218472408 1315201786 /nfs/dbraw/zinc/20/17/86/1315201786.db2.gz LHXYBKUFDCKTEY-OAUYIBNBSA-N 1 0 333.387 2.839 20 10 EFCDRO COc1cc(O)c(CN2CCC[C@]3(CCC[N@H+](C)C3)C2)cc1OC ZINC001276788966 1315211300 /nfs/dbraw/zinc/21/13/00/1315211300.db2.gz FFLDLVRFJNUVKU-IBGZPJMESA-N 1 0 334.460 2.717 20 10 EFCDRO N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001218581095 1315217503 /nfs/dbraw/zinc/21/75/03/1315217503.db2.gz DWYAALWSCXTBGN-RUQAUSGFSA-N 1 0 342.378 2.553 20 10 EFCDRO Nc1ccc(CC(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC001218859354 1315251711 /nfs/dbraw/zinc/25/17/11/1315251711.db2.gz BUUSIAJGNJJADV-UHFFFAOYSA-N 1 0 339.439 2.925 20 10 EFCDRO CC(=O)Nc1ccc2[nH]c(-c3ccc(N4CC[NH+](C)CC4)cc3)nc2c1 ZINC001250773011 1315262615 /nfs/dbraw/zinc/26/26/15/1315262615.db2.gz HJJPQCCGSIMZKX-UHFFFAOYSA-N 1 0 349.438 2.940 20 10 EFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)C[C@H]([NH3+])CO)cc2)cc1 ZINC001219203395 1315290437 /nfs/dbraw/zinc/29/04/37/1315290437.db2.gz HCRSOWHJLVVFAS-IDOMTICXSA-N 1 0 339.439 2.571 20 10 EFCDRO CCc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C2CCCC2)c(O)c1 ZINC001276804805 1315311336 /nfs/dbraw/zinc/31/13/36/1315311336.db2.gz KOKUJDWVAIUIRF-QUCCMNQESA-N 1 0 330.472 2.782 20 10 EFCDRO CCc1ccc(CN2C[C@@H]3C[N@H+](C4CCCC4)C[C@H](C2)O3)c(O)c1 ZINC001276804858 1315312731 /nfs/dbraw/zinc/31/27/31/1315312731.db2.gz MFXVDUCUGNKVIZ-KDURUIRLSA-N 1 0 330.472 2.782 20 10 EFCDRO CN(C)c1ccc(/C=C/C(=O)NCc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001219703857 1315340549 /nfs/dbraw/zinc/34/05/49/1315340549.db2.gz RJVDUKTXPZAHAG-UXBLZVDNSA-N 1 0 335.451 2.728 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)C[C@H](O)COc2ccc(F)cc2)cc1 ZINC001251933078 1315389677 /nfs/dbraw/zinc/38/96/77/1315389677.db2.gz UOQXGYINBRCOJS-SFHVURJKSA-N 1 0 332.419 2.763 20 10 EFCDRO C[N@H+](CCC=C1c2ccccc2CCc2ccccc21)C[C@H](O)CO ZINC001252062223 1315408508 /nfs/dbraw/zinc/40/85/08/1315408508.db2.gz FGNVTSLBPCUYGE-IBGZPJMESA-N 1 0 337.463 2.892 20 10 EFCDRO CN1CCO[C@]2(CCC[N@H+](Cc3cc4ccccc4cc3O)C2)C1 ZINC001276813761 1315415661 /nfs/dbraw/zinc/41/56/61/1315415661.db2.gz SQBNRBZSKRWDQR-HXUWFJFHSA-N 1 0 326.440 2.842 20 10 EFCDRO CCOc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c(O)c1 ZINC001276814049 1315423992 /nfs/dbraw/zinc/42/39/92/1315423992.db2.gz BVLANIFDTITKBW-HDICACEKSA-N 1 0 346.471 2.619 20 10 EFCDRO CC1CC(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001039061757 1315434648 /nfs/dbraw/zinc/43/46/48/1315434648.db2.gz UBUVXQUXKQJDCV-ZUEPYMLJSA-N 1 0 343.431 2.699 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CC2CCCC2)cc1 ZINC001039062540 1315436191 /nfs/dbraw/zinc/43/61/91/1315436191.db2.gz YEJPJSRLCVMWCB-MRXNPFEDSA-N 1 0 343.431 2.843 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)c(O)c1 ZINC001276815051 1315437360 /nfs/dbraw/zinc/43/73/60/1315437360.db2.gz OJNUHFJULXGQHX-OALUTQOASA-N 1 0 341.455 2.968 20 10 EFCDRO Cc1cc(C)c(CNC(=O)[C@@H]2[NH2+]CCc3cc(F)ccc32)c(O)c1 ZINC001220825490 1315454567 /nfs/dbraw/zinc/45/45/67/1315454567.db2.gz JKLYGMGQEMJQKP-GOSISDBHSA-N 1 0 328.387 2.651 20 10 EFCDRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2Cc1c(O)ccc(Cl)c1Cl ZINC001276818443 1315478210 /nfs/dbraw/zinc/47/82/10/1315478210.db2.gz BKPZFMAMBMHLAY-TXEJJXNPSA-N 1 0 344.286 2.519 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)COCc1ccco1 ZINC001252654528 1315482299 /nfs/dbraw/zinc/48/22/99/1315482299.db2.gz XBIRICGCTIYZSQ-IBGZPJMESA-N 1 0 344.455 2.937 20 10 EFCDRO CC[N@@H+](Cc1ccccc1O)C[C@@H](O)COc1ccccc1OC ZINC001252895425 1315524861 /nfs/dbraw/zinc/52/48/61/1315524861.db2.gz WQWWAIUBJCJGNQ-MRXNPFEDSA-N 1 0 331.412 2.663 20 10 EFCDRO CC[N@@H+](Cc1ccccc1O)C[C@H](O)COc1ccccc1OC ZINC001252895424 1315524907 /nfs/dbraw/zinc/52/49/07/1315524907.db2.gz WQWWAIUBJCJGNQ-INIZCTEOSA-N 1 0 331.412 2.663 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3ccccn3)C[C@@H]2C)cc1C ZINC001054327600 1315537666 /nfs/dbraw/zinc/53/76/66/1315537666.db2.gz BBUXYKIPBMRELN-YJBOKZPZSA-N 1 0 339.439 2.649 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3ccncc3)C[C@@H]2C)cc1C ZINC001054332977 1315538425 /nfs/dbraw/zinc/53/84/25/1315538425.db2.gz KBBNDINGXATBCX-YJBOKZPZSA-N 1 0 339.439 2.649 20 10 EFCDRO CCCC[C@H](CC)COC[C@@H](O)C[NH2+]Cc1ccc(O)c(O)c1 ZINC001253027415 1315557032 /nfs/dbraw/zinc/55/70/32/1315557032.db2.gz WZJGASHXSQDSIS-HOCLYGCPSA-N 1 0 325.449 2.781 20 10 EFCDRO Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC001253830656 1315643617 /nfs/dbraw/zinc/64/36/17/1315643617.db2.gz NMKUEVFWJOTNSS-IBGZPJMESA-N 1 0 328.456 2.933 20 10 EFCDRO CCOc1ccc(N2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC001253853007 1315648738 /nfs/dbraw/zinc/64/87/38/1315648738.db2.gz JKLFUYANQAEILY-IRXDYDNUSA-N 1 0 345.487 2.607 20 10 EFCDRO [NH3+][C@H](c1ccccc1O)[C@H](N[C@H]1CCCOC1)c1ccccc1O ZINC001254369266 1315698088 /nfs/dbraw/zinc/69/80/88/1315698088.db2.gz HKXCJWGNRJAAMG-MJXNMMHHSA-N 1 0 328.412 2.608 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@H]3C[C@@H]4CC(=O)C[C@@H]4C3)CC2)c(C)c1 ZINC001254963958 1315766094 /nfs/dbraw/zinc/76/60/94/1315766094.db2.gz MUBLZNXATLAAEK-FVQHAEBGSA-N 1 0 328.456 2.883 20 10 EFCDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001255494362 1315832577 /nfs/dbraw/zinc/83/25/77/1315832577.db2.gz NJHVXFYNYLWBSW-HNNXBMFYSA-N 1 0 343.393 2.801 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001255609880 1315847297 /nfs/dbraw/zinc/84/72/97/1315847297.db2.gz ZGLHWAMKGYCHTA-HNNXBMFYSA-N 1 0 348.443 2.855 20 10 EFCDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001255898337 1315878128 /nfs/dbraw/zinc/87/81/28/1315878128.db2.gz PVECHSJUMPQBPO-AWEZNQCLSA-N 1 0 336.432 2.629 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@@H](C)Cc3ccccn3)CC2)c(OC)c1 ZINC001256423839 1315939078 /nfs/dbraw/zinc/93/90/78/1315939078.db2.gz GMARLEHZDPRSMV-INIZCTEOSA-N 1 0 341.455 2.852 20 10 EFCDRO Oc1ccc([C@@H](O)C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)cc1O ZINC001256787588 1315991372 /nfs/dbraw/zinc/99/13/72/1315991372.db2.gz SDTRTCHJRNFKAY-ZYSHUDEJSA-N 1 0 329.396 2.641 20 10 EFCDRO O=C(C[NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(O)c(O)c1 ZINC001256792331 1315991736 /nfs/dbraw/zinc/99/17/36/1315991736.db2.gz IXVYAPYSRAMGQI-KXBFYZLASA-N 1 0 327.380 2.790 20 10 EFCDRO Cc1cc(C[N@@H+]2CCC[C@@H](OCCO)C2)ccc1N1CCCCC1 ZINC000827833939 1316021507 /nfs/dbraw/zinc/02/15/07/1316021507.db2.gz CKZVDVMALWLTEU-LJQANCHMSA-N 1 0 332.488 2.959 20 10 EFCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3O)CC2)C1 ZINC001257042157 1316024390 /nfs/dbraw/zinc/02/43/90/1316024390.db2.gz ZDTRQGJMKKWSQZ-QAPCUYQASA-N 1 0 346.471 2.678 20 10 EFCDRO CN1CCCc2cc(CNC(=O)[C@@H]3C[NH2+]Cc4ccccc43)ccc21 ZINC000827914126 1316031614 /nfs/dbraw/zinc/03/16/14/1316031614.db2.gz XXYWSEAHTMJLBW-LJQANCHMSA-N 1 0 335.451 2.572 20 10 EFCDRO CN1CCCc2cc(CNC(=O)[C@H]3C[NH2+]Cc4ccccc43)ccc21 ZINC000827914125 1316031641 /nfs/dbraw/zinc/03/16/41/1316031641.db2.gz XXYWSEAHTMJLBW-IBGZPJMESA-N 1 0 335.451 2.572 20 10 EFCDRO COC(=O)C1CCC([N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001257864939 1316098413 /nfs/dbraw/zinc/09/84/13/1316098413.db2.gz ASTVJUCMPYAXIW-UHFFFAOYSA-N 1 0 346.471 2.687 20 10 EFCDRO CCOc1ccc(N2CC[NH+](C3CCC(C(=O)OC)CC3)CC2)cc1 ZINC001257868926 1316099488 /nfs/dbraw/zinc/09/94/88/1316099488.db2.gz ROKVYQSOCHEFAN-UHFFFAOYSA-N 1 0 346.471 2.939 20 10 EFCDRO O=C1CC[C@H]([NH2+]Cc2cccc(O)c2O)CCN1Cc1ccccc1 ZINC001258574205 1316164181 /nfs/dbraw/zinc/16/41/81/1316164181.db2.gz OSYMYIHSEUCYDU-KRWDZBQOSA-N 1 0 340.423 2.769 20 10 EFCDRO COc1cc(C[C@@H](C)[NH2+]Cc2ccc(O)cc2O)cc(OC)c1OC ZINC001258856349 1316185275 /nfs/dbraw/zinc/18/52/75/1316185275.db2.gz HJLPFMXASWHHFX-GFCCVEGCSA-N 1 0 347.411 2.844 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001318542801 1328635258 /nfs/dbraw/zinc/63/52/58/1328635258.db2.gz XTKIDASXGNMPJI-MSOLQXFVSA-N 1 0 332.492 2.733 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001318542824 1328635701 /nfs/dbraw/zinc/63/57/01/1328635701.db2.gz XTKIDASXGNMPJI-ROUUACIJSA-N 1 0 332.492 2.733 20 10 EFCDRO C[NH2+]C[C@@H](C)CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001261376405 1316407793 /nfs/dbraw/zinc/40/77/93/1316407793.db2.gz OCQDNNVOPBXYEN-MRXNPFEDSA-N 1 0 332.492 2.674 20 10 EFCDRO CC[NH+]1CCC2(CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)CC1 ZINC001040950843 1316409402 /nfs/dbraw/zinc/40/94/02/1316409402.db2.gz DJKINFWWQXCNOD-UHFFFAOYSA-N 1 0 343.431 2.797 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2N(C)C)cc1Cn1cccn1 ZINC001261902859 1316436799 /nfs/dbraw/zinc/43/67/99/1316436799.db2.gz FNRRRFOWHKJIIR-RBUKOAKNSA-N 1 0 342.487 2.902 20 10 EFCDRO CN(C)c1ccc([C@@H](CNc2ccc3c(n2)CCC3=O)[NH+](C)C)cc1 ZINC001262377224 1316465001 /nfs/dbraw/zinc/46/50/01/1316465001.db2.gz PGSBMHFVZWEDHU-GOSISDBHSA-N 1 0 338.455 2.991 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC001262376866 1316465082 /nfs/dbraw/zinc/46/50/82/1316465082.db2.gz FCQHRFMBZMQXOV-INIZCTEOSA-N 1 0 332.492 2.626 20 10 EFCDRO Oc1ccc2ccccc2c1C[NH+]1CC2(CN(CCn3ccnc3)C2)C1 ZINC001279294591 1317227979 /nfs/dbraw/zinc/22/79/79/1317227979.db2.gz WBUBDUFKXXRMPO-UHFFFAOYSA-N 1 0 348.450 2.560 20 10 EFCDRO Oc1c(C[NH+]2CC3(CN(CCn4ccnc4)C3)C2)ccc2ccccc21 ZINC001279437083 1317263145 /nfs/dbraw/zinc/26/31/45/1317263145.db2.gz HAWJDZLGQFSOBH-UHFFFAOYSA-N 1 0 348.450 2.560 20 10 EFCDRO Oc1cc2ccccc2cc1C[N@@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001279667138 1317352472 /nfs/dbraw/zinc/35/24/72/1317352472.db2.gz PTWIVINQIYRNQZ-AZUAARDMSA-N 1 0 348.450 2.975 20 10 EFCDRO COC(=O)CC[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@H]1CCCO1 ZINC001319707245 1328956300 /nfs/dbraw/zinc/95/63/00/1328956300.db2.gz NOBBHKLBVHVZFD-LJQANCHMSA-N 1 0 346.471 2.831 20 10 EFCDRO CSC[C@H]1CCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319717106 1328962781 /nfs/dbraw/zinc/96/27/81/1328962781.db2.gz LAMCANOFMGXJGO-MRXNPFEDSA-N 1 0 337.508 2.905 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+]CC2(O)CCCC2)ccc1N1CCCCC1 ZINC000732229465 1321602398 /nfs/dbraw/zinc/60/23/98/1321602398.db2.gz YLYVFTYIJDRJJP-UHFFFAOYSA-N 1 0 333.432 2.980 20 10 EFCDRO CN1CCN(c2ccc(C[N@H+](C)C[C@@H]3CCCCO3)cc2F)CC1 ZINC001319948363 1329041859 /nfs/dbraw/zinc/04/18/59/1329041859.db2.gz SWGFXZRLDVGGPK-KRWDZBQOSA-N 1 0 335.467 2.578 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c2c1c(F)ccc2O ZINC001320125383 1329090011 /nfs/dbraw/zinc/09/00/11/1329090011.db2.gz RTBMJSBFTIPLGR-JMSVASOKSA-N 1 0 330.407 2.682 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+][C@@]3(C)CCO[C@@H]3C3CC3)cc2F)CC1 ZINC001320172385 1329100104 /nfs/dbraw/zinc/10/01/04/1329100104.db2.gz BVBOEOXMZUHCFZ-UXHICEINSA-N 1 0 347.478 2.625 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+][C@]3(C)CCO[C@@H]3C3CC3)cc2F)CC1 ZINC001320172388 1329100169 /nfs/dbraw/zinc/10/01/69/1329100169.db2.gz BVBOEOXMZUHCFZ-WOJBJXKFSA-N 1 0 347.478 2.625 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+][C@]3(C)CCO[C@H]3C3CC3)cc2F)CC1 ZINC001320172386 1329099975 /nfs/dbraw/zinc/09/99/75/1329099975.db2.gz BVBOEOXMZUHCFZ-VQTJNVASSA-N 1 0 347.478 2.625 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[NH2+]C3(CC(=O)[O-])CCCCC3)cc2)CC1 ZINC000901498218 1324742438 /nfs/dbraw/zinc/74/24/38/1324742438.db2.gz KXSLOPVNYLNPOC-UHFFFAOYSA-N 1 0 345.487 2.706 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)cc1 ZINC001321180891 1329353425 /nfs/dbraw/zinc/35/34/25/1329353425.db2.gz CMGUPZMGXJTZNG-UHFFFAOYSA-N 1 0 335.411 2.606 20 10 EFCDRO CC[C@@H]([NH2+]CCN1CCC(CO)CC1)c1cc(Cl)ccc1O ZINC001321386797 1329380989 /nfs/dbraw/zinc/38/09/89/1329380989.db2.gz LMYXYUHJPYEASE-MRXNPFEDSA-N 1 0 326.868 2.791 20 10 EFCDRO Cc1nnc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)n1C ZINC001321494704 1329391155 /nfs/dbraw/zinc/39/11/55/1329391155.db2.gz GAEPZQICEZQTQJ-VIFPVBQESA-N 1 0 339.237 2.751 20 10 EFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC001324133198 1329602285 /nfs/dbraw/zinc/60/22/85/1329602285.db2.gz KWTUAKRBTLANCO-ROUUACIJSA-N 1 0 329.488 2.881 20 10 EFCDRO C[C@@H](NC(=O)N1CC[NH+](C(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC001324169902 1329605270 /nfs/dbraw/zinc/60/52/70/1329605270.db2.gz FYXBDVWTNGFEQJ-OAHLLOKOSA-N 1 0 332.492 2.939 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](CO)CC2CCOCC2)c1O ZINC001324758953 1329656593 /nfs/dbraw/zinc/65/65/93/1329656593.db2.gz NWHXXBNXPFIIBE-CYBMUJFWSA-N 1 0 343.851 2.569 20 10 EFCDRO Cc1ccccc1OCCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001326289833 1329744620 /nfs/dbraw/zinc/74/46/20/1329744620.db2.gz DEFHJHKUDKFGJU-GOSISDBHSA-N 1 0 341.455 2.646 20 10 EFCDRO CC[C@H](C)[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)OC ZINC001326446327 1329757566 /nfs/dbraw/zinc/75/75/66/1329757566.db2.gz LILOGTMLUQSUHY-KXBFYZLASA-N 1 0 337.483 2.728 20 10 EFCDRO C[NH2+]C[C@H](C)CNC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001326606881 1330326892 /nfs/dbraw/zinc/32/68/92/1330326892.db2.gz QJNIZQNISONUEL-AWEZNQCLSA-N 1 0 343.471 2.500 20 10 EFCDRO Oc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC001327631542 1330502213 /nfs/dbraw/zinc/50/22/13/1330502213.db2.gz FDINIOXNIKWAOO-UHFFFAOYSA-N 1 0 325.364 2.874 20 10 EFCDRO COC(=O)CC(C)(C)[N@H+](C)Cc1ccc(Br)cc1O ZINC001328746376 1330625412 /nfs/dbraw/zinc/62/54/12/1330625412.db2.gz NWKWUMMVQYMUDW-UHFFFAOYSA-N 1 0 330.222 2.928 20 10 EFCDRO C[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC001329297734 1330691132 /nfs/dbraw/zinc/69/11/32/1330691132.db2.gz DWRCTILWMMOLKD-KZULUSFZSA-N 1 0 347.409 2.951 20 10 EFCDRO CCOc1ccc(N2CCN(Cc3cc(C)nc(C)n3)CC2)cc1 ZINC001329875965 1330744848 /nfs/dbraw/zinc/74/48/48/1330744848.db2.gz HXTPDBWJBZXFRD-UHFFFAOYSA-N 1 0 326.444 2.814 20 10 EFCDRO COc1cc(C)cc(C[NH+]2CCN(c3ncc(C)s3)CC2)c1O ZINC001331527640 1330848689 /nfs/dbraw/zinc/84/86/89/1330848689.db2.gz CENNIUVYUQUCFC-UHFFFAOYSA-N 1 0 333.457 2.796 20 10 EFCDRO [NH3+][C@H]1C[C@H](CNC(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC001332557511 1330984778 /nfs/dbraw/zinc/98/47/78/1330984778.db2.gz NFACFTOTTWQFCU-KOMQPUFPSA-N 1 0 331.460 2.974 20 10 EFCDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cnn1C ZINC001333319597 1331115231 /nfs/dbraw/zinc/11/52/31/1331115231.db2.gz HVFOGAYAMYGNHX-CQSZACIVSA-N 1 0 328.460 2.540 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)c2cnn(C)c2C)cc1Cn1cccn1 ZINC001333321043 1331116326 /nfs/dbraw/zinc/11/63/26/1331116326.db2.gz GAPYOBWOUINHFB-CQSZACIVSA-N 1 0 339.443 2.833 20 10 EFCDRO Cc1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)sn1 ZINC001333487734 1331153864 /nfs/dbraw/zinc/15/38/64/1331153864.db2.gz ZUJZSGVUMLGPAR-HNNXBMFYSA-N 1 0 347.488 2.942 20 10 EFCDRO COCn1ncc(C)c1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001333632451 1331184496 /nfs/dbraw/zinc/18/44/96/1331184496.db2.gz GGVPGKYPURKMMI-KRWDZBQOSA-N 1 0 345.443 2.682 20 10 EFCDRO Cc1cc(N)nc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)[nH+]1 ZINC001333676710 1331192468 /nfs/dbraw/zinc/19/24/68/1331192468.db2.gz ABBJVMCJTRWUJE-CHWSQXEVSA-N 1 0 345.422 2.732 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)c(O)c1OC ZINC001333716664 1331200719 /nfs/dbraw/zinc/20/07/19/1331200719.db2.gz FSBWSCRGXAIJRL-CQSZACIVSA-N 1 0 333.432 2.672 20 10 EFCDRO Cc1ccc([C@@H](CNC(=O)NCc2ccc(N)cc2)[NH+]2CCCC2)o1 ZINC001335397264 1331342661 /nfs/dbraw/zinc/34/26/61/1331342661.db2.gz OFAOPDPEDYANQB-QGZVFWFLSA-N 1 0 342.443 2.807 20 10 EFCDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(N)cc1 ZINC001335525035 1331367158 /nfs/dbraw/zinc/36/71/58/1331367158.db2.gz IFFZMXSCEWETLA-OAHLLOKOSA-N 1 0 326.444 2.589 20 10 EFCDRO CC[C@H](F)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001335855971 1331410839 /nfs/dbraw/zinc/41/08/39/1331410839.db2.gz QBEBJVKTMPMVTE-KBPBESRZSA-N 1 0 328.815 2.874 20 10 EFCDRO Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2C)c(C)n1-c1ccccn1 ZINC001336204001 1331446226 /nfs/dbraw/zinc/44/62/26/1331446226.db2.gz RRIOEOBCNYZZEQ-INIZCTEOSA-N 1 0 326.444 2.703 20 10 EFCDRO Nc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC001336284783 1331454996 /nfs/dbraw/zinc/45/49/96/1331454996.db2.gz CWSODHGZJWZMCN-UHFFFAOYSA-N 1 0 327.403 2.756 20 10 EFCDRO CN1CCN(c2ccc(C[N@H+](C)CCOC(C)(C)C)cc2F)CC1 ZINC001337042628 1331530598 /nfs/dbraw/zinc/53/05/98/1331530598.db2.gz OWSQILGQQYPXHL-UHFFFAOYSA-N 1 0 337.483 2.824 20 10 EFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)cc1 ZINC001337294675 1331558628 /nfs/dbraw/zinc/55/86/28/1331558628.db2.gz ROJIBSUGJAFIDH-NEPJUHHUSA-N 1 0 331.382 2.860 20 10 EFCDRO COCCC(=O)N1CCC([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001337798286 1331599714 /nfs/dbraw/zinc/59/97/14/1331599714.db2.gz FVOGLNVLSLEMOS-ZBFHGGJFSA-N 1 0 346.471 2.866 20 10 EFCDRO C[C@@H]1[C@@H](NC(=O)NCc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001338608288 1331719409 /nfs/dbraw/zinc/71/94/09/1331719409.db2.gz PKZLKJGPMAXYDZ-BEFAXECRSA-N 1 0 338.455 2.731 20 10 EFCDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001338734682 1331731285 /nfs/dbraw/zinc/73/12/85/1331731285.db2.gz FDCFWCYZCZDPGM-JXXFODFXSA-N 1 0 349.494 2.559 20 10 EFCDRO CCC[NH+]1CCC(N(C)c2nnc(C3SC=CC3=O)n2C)CC1 ZINC001339573111 1331902480 /nfs/dbraw/zinc/90/24/80/1331902480.db2.gz MFWJTJLUBJEWNZ-UHFFFAOYSA-N 1 0 335.477 2.560 20 10 EFCDRO CC(C)(C)[C@@H]([NH3+])CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001340183819 1332150412 /nfs/dbraw/zinc/15/04/12/1332150412.db2.gz NUGWNBHVJIVKNM-WBVHZDCISA-N 1 0 334.460 2.663 20 10 EFCDRO Cc1ncsc1/C=C/C(=O)N1CCCc2cc(CC[NH3+])ccc21 ZINC001341498734 1332264014 /nfs/dbraw/zinc/26/40/14/1332264014.db2.gz CCBGWSFJRSJLJS-VOTSOKGWSA-N 1 0 327.453 2.945 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)C[C@@H]([NH3+])CCSC)cc1F ZINC001341605887 1332270614 /nfs/dbraw/zinc/27/06/14/1332270614.db2.gz TWTQWSVNYZMWPX-AWEZNQCLSA-N 1 0 341.496 2.759 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3C[C@H](C[NH3+])C3)c2C)cc1 ZINC001345545706 1332547754 /nfs/dbraw/zinc/54/77/54/1332547754.db2.gz SBEJKYLWVNJWIF-SHTZXODSSA-N 1 0 327.428 2.570 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)c(N)c2)[NH+](C)C)cc1 ZINC001345646374 1332555416 /nfs/dbraw/zinc/55/54/16/1332555416.db2.gz LOXQXKGDYSPAOM-GOSISDBHSA-N 1 0 344.434 2.507 20 10 EFCDRO C[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1F ZINC001345811384 1332575420 /nfs/dbraw/zinc/57/54/20/1332575420.db2.gz HOQVMYTXHAFFCZ-SGTLLEGYSA-N 1 0 347.409 2.951 20 10 EFCDRO C[C@@H](OC1CCCCC1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001345813495 1332575441 /nfs/dbraw/zinc/57/54/41/1332575441.db2.gz USCOTJNRSDECTQ-RDTXWAMCSA-N 1 0 333.476 2.606 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1CCCCC[NH2+]1 ZINC001346192543 1332609652 /nfs/dbraw/zinc/60/96/52/1332609652.db2.gz VNNVNYNRTUCFKC-KRWDZBQOSA-N 1 0 330.476 2.618 20 10 EFCDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)NCc2ccc(N)cc2)cc1 ZINC001346219790 1332613650 /nfs/dbraw/zinc/61/36/50/1332613650.db2.gz KNZSYSQKLYGKFM-KPKJPENVSA-N 1 0 339.439 2.539 20 10 EFCDRO O=C(CC[C@@H]1CCC[NH2+]C1)NCc1ccc(N2CCSCC2)cc1 ZINC001347932213 1332786221 /nfs/dbraw/zinc/78/62/21/1332786221.db2.gz URWNVVQSJDPHGR-INIZCTEOSA-N 1 0 347.528 2.636 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)c1 ZINC001348141822 1332803387 /nfs/dbraw/zinc/80/33/87/1332803387.db2.gz ZLONYJCZDLXGCU-BARDWOONSA-N 1 0 332.444 2.698 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NCCC(C)(C)[NH3+])ccc21 ZINC001349876052 1333007706 /nfs/dbraw/zinc/00/77/06/1333007706.db2.gz ZVCWLAFVXOQWFW-UHFFFAOYSA-N 1 0 331.460 2.762 20 10 EFCDRO COC(=O)[C@H](c1ccc(F)cc1)N1CCCc2cc(C[NH3+])ccc21 ZINC001350393841 1333074357 /nfs/dbraw/zinc/07/43/57/1333074357.db2.gz AWCIJRDEGFAACE-SFHVURJKSA-N 1 0 328.387 2.951 20 10 EFCDRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)Cc3ccc(N(C)C)cc3)C[N@@H+]2C1 ZINC001350841940 1333140129 /nfs/dbraw/zinc/14/01/29/1333140129.db2.gz KHPWJFBCALISQN-AYBZRNKSSA-N 1 0 329.488 2.831 20 10 EFCDRO O=C(CC[C@H]1CCC[NH2+]C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001351156983 1333187358 /nfs/dbraw/zinc/18/73/58/1333187358.db2.gz WUPSGYIKLAAVLB-SJLPKXTDSA-N 1 0 346.471 2.680 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000847276598 1333471047 /nfs/dbraw/zinc/47/10/47/1333471047.db2.gz LQCRAGZSZSBOGU-MSOLQXFVSA-N 1 0 330.476 2.569 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847318486 1333541315 /nfs/dbraw/zinc/54/13/15/1333541315.db2.gz KDUDGXBYEIXHEG-RBUKOAKNSA-N 1 0 344.503 2.877 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000847443677 1333725580 /nfs/dbraw/zinc/72/55/80/1333725580.db2.gz URPCLJZGRQWJNF-MOPGFXCFSA-N 1 0 344.503 2.911 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000847443897 1333725948 /nfs/dbraw/zinc/72/59/48/1333725948.db2.gz FYZCXCDBTADPHC-JQFCIGGWSA-N 1 0 347.459 2.778 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000847443681 1333726069 /nfs/dbraw/zinc/72/60/69/1333726069.db2.gz URPCLJZGRQWJNF-RTBURBONSA-N 1 0 344.503 2.911 20 10 EFCDRO O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847446623 1333730989 /nfs/dbraw/zinc/73/09/89/1333730989.db2.gz IHMNMDDEBPSOEU-GJZGRUSLSA-N 1 0 337.851 2.862 20 10 EFCDRO COc1cccc(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1O ZINC000847589407 1333957760 /nfs/dbraw/zinc/95/77/60/1333957760.db2.gz IZVUIWVWBIHAMB-QGZVFWFLSA-N 1 0 340.423 2.539 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)COC(C)(C)C)C2)cc1C ZINC001100260630 1334027093 /nfs/dbraw/zinc/02/70/93/1334027093.db2.gz GQGYBVAZGVZVSG-UHFFFAOYSA-N 1 0 348.487 2.803 20 10 EFCDRO Oc1ccccc1C[NH+]1CCC(NC(=S)NCc2ccco2)CC1 ZINC001200575592 1334134386 /nfs/dbraw/zinc/13/43/86/1334134386.db2.gz HTIPUGOMYCQEJW-UHFFFAOYSA-N 1 0 345.468 2.614 20 10 EFCDRO COCC(C)(C)C(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001100507893 1334170400 /nfs/dbraw/zinc/17/04/00/1334170400.db2.gz WDCNXWJBZCIXDQ-UHFFFAOYSA-N 1 0 348.487 2.661 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(C(F)F)nc2)cc1 ZINC000848394710 1334705772 /nfs/dbraw/zinc/70/57/72/1334705772.db2.gz STMTWPUVJNIKLW-CQSZACIVSA-N 1 0 334.370 2.515 20 10 EFCDRO C[NH2+][C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000848406856 1334710414 /nfs/dbraw/zinc/71/04/14/1334710414.db2.gz JSPXXDVBAGKKSQ-HNNXBMFYSA-N 1 0 341.455 2.902 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)c2conc2C(C)(C)[NH3+])cc1 ZINC000848411612 1334711680 /nfs/dbraw/zinc/71/16/80/1334711680.db2.gz UEHIAPXWPXUSBR-UHFFFAOYSA-N 1 0 330.432 2.645 20 10 EFCDRO CC(=O)OC[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001355263719 1334726841 /nfs/dbraw/zinc/72/68/41/1334726841.db2.gz OMFSSBRJGHNHTG-TZMCWYRMSA-N 1 0 342.386 2.798 20 10 EFCDRO Cc1ncncc1[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000848523560 1334772717 /nfs/dbraw/zinc/77/27/17/1334772717.db2.gz JHYVCXMDBDUFAI-CYBMUJFWSA-N 1 0 344.434 2.736 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3ccccc3NC2=O)cc1F ZINC000848561256 1334795172 /nfs/dbraw/zinc/79/51/72/1334795172.db2.gz SSCLHHVDWUMRQW-QGZVFWFLSA-N 1 0 327.403 2.935 20 10 EFCDRO CC(C)[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)C(=O)OC(C)(C)C ZINC000848564690 1334797326 /nfs/dbraw/zinc/79/73/26/1334797326.db2.gz BPCIRCMTBAOJJG-CYBMUJFWSA-N 1 0 337.416 2.824 20 10 EFCDRO C[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C(=O)OC(C)(C)C ZINC000848566254 1334797585 /nfs/dbraw/zinc/79/75/85/1334797585.db2.gz SLDXHSUGQMOZMS-OAHLLOKOSA-N 1 0 334.460 2.591 20 10 EFCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cc2F)C[C@H](C)O1 ZINC000848717337 1334857491 /nfs/dbraw/zinc/85/74/91/1334857491.db2.gz VPCDKNJJDZWZBQ-YALNPMBYSA-N 1 0 335.467 2.799 20 10 EFCDRO CCc1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1O ZINC000848888834 1334962811 /nfs/dbraw/zinc/96/28/11/1334962811.db2.gz ZSVSGORAWOFWDW-OAHLLOKOSA-N 1 0 342.399 2.944 20 10 EFCDRO CCc1cccc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c1O ZINC000848887409 1334963107 /nfs/dbraw/zinc/96/31/07/1334963107.db2.gz VTWLBAHWAXSTQJ-SFHVURJKSA-N 1 0 329.444 2.634 20 10 EFCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1O ZINC000848889527 1334963664 /nfs/dbraw/zinc/96/36/64/1334963664.db2.gz KPVWDXJYHQDZAB-MSOLQXFVSA-N 1 0 329.444 2.776 20 10 EFCDRO CCc1cccc(C[NH2+]CCNC(=O)c2ccc(C)c(F)c2)c1O ZINC000848893403 1334967297 /nfs/dbraw/zinc/96/72/97/1334967297.db2.gz WGAHPXRFPSCVLO-UHFFFAOYSA-N 1 0 330.403 2.922 20 10 EFCDRO CCc1cccc(C[NH2+]Cc2ccccc2CS(C)(=O)=O)c1O ZINC000848898687 1334969764 /nfs/dbraw/zinc/96/97/64/1334969764.db2.gz XFNKAKREKQQDKW-UHFFFAOYSA-N 1 0 333.453 2.789 20 10 EFCDRO CCc1cccc(C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c1O ZINC000848901379 1334972561 /nfs/dbraw/zinc/97/25/61/1334972561.db2.gz YPSYKSMLLBYYOW-UHFFFAOYSA-N 1 0 333.453 2.789 20 10 EFCDRO CCc1cccc(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)c1O ZINC000848902508 1334973968 /nfs/dbraw/zinc/97/39/68/1334973968.db2.gz FCEPOZULBBXFJQ-KRWDZBQOSA-N 1 0 333.453 2.830 20 10 EFCDRO CCc1cccc(C[NH2+][C@H](C)C(=O)NCCc2ccccc2)c1O ZINC000848915295 1334983176 /nfs/dbraw/zinc/98/31/76/1334983176.db2.gz VGEBOBLAIXAQTR-OAHLLOKOSA-N 1 0 326.440 2.792 20 10 EFCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3CCCC[C@]3(C(=O)OC)C2)c1O ZINC000848921788 1334987729 /nfs/dbraw/zinc/98/77/29/1334987729.db2.gz WZPWTENEYCSMGO-KXBFYZLASA-N 1 0 333.428 2.956 20 10 EFCDRO C[C@H]1CN(c2ccc(CNC(=[NH2+])N3CCCCC3)cc2F)C[C@H](C)O1 ZINC000849070637 1335068354 /nfs/dbraw/zinc/06/83/54/1335068354.db2.gz ZJJSTURBKGBZGF-GJZGRUSLSA-N 1 0 348.466 2.950 20 10 EFCDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000935946036 1335464729 /nfs/dbraw/zinc/46/47/29/1335464729.db2.gz URYBFXUTAHUSOG-UHFFFAOYSA-N 1 0 325.449 2.615 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3nc(C4CC4)ns3)cc2)CC1 ZINC000849346887 1335596006 /nfs/dbraw/zinc/59/60/06/1335596006.db2.gz GWAQRBZVJRHTRD-UHFFFAOYSA-N 1 0 329.473 2.779 20 10 EFCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1[NH2+]CC1CCC1 ZINC000939829707 1335906731 /nfs/dbraw/zinc/90/67/31/1335906731.db2.gz AOMHMJULKGEWNV-MLGOLLRUSA-N 1 0 343.431 2.699 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCC(F)F)C2)cc1C ZINC001690670196 1417224778 /nfs/dbraw/zinc/22/47/78/1417224778.db2.gz GROUABJDJXKFCM-AWEZNQCLSA-N 1 0 326.387 2.739 20 10 EFCDRO O=C1CCCN1C1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000160154535 712905340 /nfs/dbraw/zinc/90/53/40/712905340.db2.gz SNBWQRJKIXLHID-UHFFFAOYSA-N 1 0 328.456 2.858 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CN[C@H](C)c3ncc[nH]3)cc2F)CC1 ZINC000286323589 713019825 /nfs/dbraw/zinc/01/98/25/713019825.db2.gz XRUYFBSDSLFVDP-CQSZACIVSA-N 1 0 331.439 2.542 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cocc3C)C2)cc1C ZINC001020477006 713056135 /nfs/dbraw/zinc/05/61/35/713056135.db2.gz OMZIEHLNTKVUQP-WKILWMFISA-N 1 0 328.412 2.956 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cccnc3C)C2)cc1C ZINC001020529996 713110344 /nfs/dbraw/zinc/11/03/44/713110344.db2.gz DLGAKUXPUUEEAB-QAQDUYKDSA-N 1 0 339.439 2.758 20 10 EFCDRO CCc1ncoc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001020568496 713213960 /nfs/dbraw/zinc/21/39/60/713213960.db2.gz QOYDKENRAIPHHS-SHTZXODSSA-N 1 0 343.427 2.605 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3csc(C)n3)C2)cc1C ZINC000969695529 713221293 /nfs/dbraw/zinc/22/12/93/713221293.db2.gz JTTIOGUAWCWEIM-OAHLLOKOSA-N 1 0 345.468 2.773 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC34CCC4)C2)cc1C ZINC001020645911 713315605 /nfs/dbraw/zinc/31/56/05/713315605.db2.gz OEVREXCHQGJKIJ-BRWVUGGUSA-N 1 0 328.456 2.931 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)CN(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000806169475 713413907 /nfs/dbraw/zinc/41/39/07/713413907.db2.gz GGCSUHMMHVEMJF-UONOGXRCSA-N 1 0 325.884 2.777 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)cc1C ZINC000970228766 713568918 /nfs/dbraw/zinc/56/89/18/713568918.db2.gz ADPDJJVJOOYJLX-FGTMMUONSA-N 1 0 328.456 2.740 20 10 EFCDRO C[NH2+]CCc1ccccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000325624656 713824957 /nfs/dbraw/zinc/82/49/57/713824957.db2.gz UHRSVAMOEHFFRJ-UHFFFAOYSA-N 1 0 325.456 2.787 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3C3CC3)cc2F)CC1 ZINC000177202527 717940646 /nfs/dbraw/zinc/94/06/46/717940646.db2.gz MJIHIVTXNRSUBN-DLBZAZTESA-N 1 0 345.462 2.630 20 10 EFCDRO COC(=O)CC[N@H+](Cc1ccncc1)Cc1cc(OC)c(C)cc1O ZINC000160385421 714057129 /nfs/dbraw/zinc/05/71/29/714057129.db2.gz MGQTWVXNDYEBOQ-UHFFFAOYSA-N 1 0 344.411 2.670 20 10 EFCDRO COc1cc(C[NH+]2CCC(N3CCCCC3=O)CC2)c(O)cc1C ZINC000160427398 714089554 /nfs/dbraw/zinc/08/95/54/714089554.db2.gz JRWNUTBKNCJUAJ-UHFFFAOYSA-N 1 0 332.444 2.686 20 10 EFCDRO Cc1cc(F)ncc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245234 714131393 /nfs/dbraw/zinc/13/13/93/714131393.db2.gz ARYYPXIAUCOYDS-QGZVFWFLSA-N 1 0 344.434 2.628 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCCS2)[NH+](C)C)cc1 ZINC000891246710 714132570 /nfs/dbraw/zinc/13/25/70/714132570.db2.gz CFTNXFNJLSGVFH-IRXDYDNUSA-N 1 0 335.517 2.757 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2C2CCC2)[NH+](C)C)cc1 ZINC000891246837 714133098 /nfs/dbraw/zinc/13/30/98/714133098.db2.gz QDGSVQRZVOWANT-IPMKNSEASA-N 1 0 329.488 2.908 20 10 EFCDRO C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)(F)F ZINC000891246293 714133278 /nfs/dbraw/zinc/13/32/78/714133278.db2.gz BXJYHBKTOFAERV-DOMZBBRYSA-N 1 0 327.419 2.763 20 10 EFCDRO Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)ccc1O ZINC000891246392 714133628 /nfs/dbraw/zinc/13/36/28/714133628.db2.gz BZCVZDXPCQCADC-GOSISDBHSA-N 1 0 341.455 2.799 20 10 EFCDRO CO[C@@H]1CCC[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891247099 714134732 /nfs/dbraw/zinc/13/47/32/714134732.db2.gz HJYJGOBXDCJRLK-QXAKKESOSA-N 1 0 347.503 2.677 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)C2(C)CC(F)(F)C2)[NH+](C)C)cc1 ZINC000891248553 714136034 /nfs/dbraw/zinc/13/60/34/714136034.db2.gz YLVDMSBJOKOWLD-HNNXBMFYSA-N 1 0 339.430 2.907 20 10 EFCDRO CSC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCC1 ZINC000891248664 714136880 /nfs/dbraw/zinc/13/68/80/714136880.db2.gz MOBPXBJRDZUPLQ-MRXNPFEDSA-N 1 0 335.517 2.757 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)C2=CC(=O)CS2)[NH+](C)C)cc1 ZINC000891249861 714139203 /nfs/dbraw/zinc/13/92/03/714139203.db2.gz UEJHDYAJANHTCX-HNNXBMFYSA-N 1 0 333.457 2.552 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ocnc2C2CC2)[NH+](C)C)cc1 ZINC000891249934 714139332 /nfs/dbraw/zinc/13/93/32/714139332.db2.gz UOAITPBJYBSBQH-MRXNPFEDSA-N 1 0 342.443 2.651 20 10 EFCDRO Cc1coc(C)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249866 714139414 /nfs/dbraw/zinc/13/94/14/714139414.db2.gz UEMALSAYVUBUDW-QGZVFWFLSA-N 1 0 329.444 2.995 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCC(F)(F)C2)[NH+](C)C)cc1 ZINC000891249780 714139420 /nfs/dbraw/zinc/13/94/20/714139420.db2.gz WPVJFVJACLZZPO-ZBFHGGJFSA-N 1 0 339.430 2.907 20 10 EFCDRO CC[C@H](C)[C@@H](OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248804 714139702 /nfs/dbraw/zinc/13/97/02/714139702.db2.gz OETSXAMWXHYNEO-JCGIZDLHSA-N 1 0 335.492 2.533 20 10 EFCDRO COc1ccsc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252671 714145685 /nfs/dbraw/zinc/14/56/85/714145685.db2.gz MBJTWPURKBZIPQ-OAHLLOKOSA-N 1 0 347.484 2.855 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)cn2)[NH+](C)C)cc1 ZINC000891252365 714146839 /nfs/dbraw/zinc/14/68/39/714146839.db2.gz JYNSMLBWZKMHQT-QGZVFWFLSA-N 1 0 346.862 2.834 20 10 EFCDRO CCCCO[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254717 714148458 /nfs/dbraw/zinc/14/84/58/714148458.db2.gz IQIJAQPXHUXNRY-MAUKXSAKSA-N 1 0 335.492 2.677 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2cccnc2)[NH+](C)C)cc1 ZINC000891255921 714150236 /nfs/dbraw/zinc/15/02/36/714150236.db2.gz SRCJLATVESBJFE-LKQLOZHYSA-N 1 0 338.455 2.580 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccco2)[NH+](C)C)cc1 ZINC000891258113 714152324 /nfs/dbraw/zinc/15/23/24/714152324.db2.gz NREUJMIXAISXTF-IENJSVCTSA-N 1 0 327.428 2.778 20 10 EFCDRO Oc1cc2c(cc1C[NH+]1CCC(Cn3ccnn3)CC1)CCCC2 ZINC000160480030 714173297 /nfs/dbraw/zinc/17/32/97/714173297.db2.gz CZEXZEYGVNUYLD-UHFFFAOYSA-N 1 0 326.444 2.775 20 10 EFCDRO CC[C@H](C)C[NH+]1CC([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970954231 714177210 /nfs/dbraw/zinc/17/72/10/714177210.db2.gz LWXHJIMHEFSFDR-STQMWFEESA-N 1 0 345.447 2.945 20 10 EFCDRO CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001021740034 714403913 /nfs/dbraw/zinc/40/39/13/714403913.db2.gz QKEGQRRLOHPLEV-GOEBONIOSA-N 1 0 343.431 2.795 20 10 EFCDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000160784645 714477008 /nfs/dbraw/zinc/47/70/08/714477008.db2.gz LDSCGDJFQXYBJC-INIZCTEOSA-N 1 0 339.439 2.813 20 10 EFCDRO CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]2C1 ZINC000980251881 717980890 /nfs/dbraw/zinc/98/08/90/717980890.db2.gz HBLAPUNQLLBRFE-DZKIICNBSA-N 1 0 343.431 2.699 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)NCc2cccs2)[NH+](C)C)cc1 ZINC000022418339 714585370 /nfs/dbraw/zinc/58/53/70/714585370.db2.gz PIFQWMDHUVOSPA-QGZVFWFLSA-N 1 0 346.500 2.916 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cncc(F)c3)C2)cc1C ZINC001021954402 714611103 /nfs/dbraw/zinc/61/11/03/714611103.db2.gz DCGBDVPZRXBCAM-CALCHBBNSA-N 1 0 343.402 2.588 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C)n3cccc3)C2)cc1C ZINC001021974862 714623662 /nfs/dbraw/zinc/62/36/62/714623662.db2.gz JTWCGZKLMPJRBV-NXHRZFHOSA-N 1 0 341.455 2.803 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3csnc3C)C2)cc1C ZINC001021987164 714627753 /nfs/dbraw/zinc/62/77/53/714627753.db2.gz BLRJZOIAKTVEBQ-GASCZTMLSA-N 1 0 345.468 2.819 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)NCCC(C)(C)[NH3+])cc2)CC1 ZINC000891533461 714804330 /nfs/dbraw/zinc/80/43/30/714804330.db2.gz XXCDJIWBNHDKIV-UHFFFAOYSA-N 1 0 332.492 2.850 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000326417688 714898222 /nfs/dbraw/zinc/89/82/22/714898222.db2.gz ROZNRNRJCKUIFQ-HXUWFJFHSA-N 1 0 337.467 2.988 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC3(F)F)C2)cc1C ZINC001022261340 714932595 /nfs/dbraw/zinc/93/25/95/714932595.db2.gz QNKAKSZASAWWGY-QLFBSQMISA-N 1 0 338.398 2.786 20 10 EFCDRO COc1ccc(CN2CCC[C@H]2C[NH+]2CCCCC2)c(O)c1OC ZINC000891752757 714997664 /nfs/dbraw/zinc/99/76/64/714997664.db2.gz OIIUDKACYDGEIJ-INIZCTEOSA-N 1 0 334.460 2.860 20 10 EFCDRO COc1ccc(CN2CCC[C@@H]2C[NH+]2CCCCC2)c(O)c1OC ZINC000891752758 714997750 /nfs/dbraw/zinc/99/77/50/714997750.db2.gz OIIUDKACYDGEIJ-MRXNPFEDSA-N 1 0 334.460 2.860 20 10 EFCDRO C[C@H](NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(N(C)C)cc1 ZINC000891813294 715034310 /nfs/dbraw/zinc/03/43/10/715034310.db2.gz JXJZTYYNZLRIOA-DIECFANBSA-N 1 0 330.476 2.643 20 10 EFCDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000891999392 715215659 /nfs/dbraw/zinc/21/56/59/715215659.db2.gz CCBMQAXMRGTXTQ-MRXNPFEDSA-N 1 0 330.476 2.570 20 10 EFCDRO CN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000891999389 715215674 /nfs/dbraw/zinc/21/56/74/715215674.db2.gz CBTQZFWJUGDDOL-GOSISDBHSA-N 1 0 330.476 2.522 20 10 EFCDRO COc1ccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c(O)c1OC ZINC000892043739 715231905 /nfs/dbraw/zinc/23/19/05/715231905.db2.gz ZHVMXRPEUPTZDY-QGZVFWFLSA-N 1 0 343.423 2.891 20 10 EFCDRO COc1ccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c(O)c1OC ZINC000892141777 715272460 /nfs/dbraw/zinc/27/24/60/715272460.db2.gz VYJBXXSPSSADGC-HNNXBMFYSA-N 1 0 349.349 2.545 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](OC)C(C)C)C2)cc1C ZINC001027037016 715329972 /nfs/dbraw/zinc/32/99/72/715329972.db2.gz MGRKLGWVHPJTPC-MJGOQNOKSA-N 1 0 348.487 2.613 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CC(C)(F)F)C2)cc1C ZINC001027045375 715343113 /nfs/dbraw/zinc/34/31/13/715343113.db2.gz RPZVIRZPCKCKRB-HNNXBMFYSA-N 1 0 340.414 2.987 20 10 EFCDRO COc1cc(C(=O)N[C@H]2CC[N@H+](CCC(C)C)[C@H](C)C2)cc(OC)n1 ZINC000947497598 715422359 /nfs/dbraw/zinc/42/23/59/715422359.db2.gz JVCNBCKYDRIMMF-ZBFHGGJFSA-N 1 0 349.475 2.728 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC34CC4)C2)cc1C ZINC001027088270 715520102 /nfs/dbraw/zinc/52/01/02/715520102.db2.gz JFOUUPKLMWQNGV-SJORKVTESA-N 1 0 328.456 2.742 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC34CCC4)C2)cc1C ZINC001022781143 715651155 /nfs/dbraw/zinc/65/11/55/715651155.db2.gz OEVREXCHQGJKIJ-IXDOHACOSA-N 1 0 328.456 2.931 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3ccco3)C2)cc1C ZINC001027132080 715670572 /nfs/dbraw/zinc/67/05/72/715670572.db2.gz FPHAUFIWIXKIIU-KRWDZBQOSA-N 1 0 342.439 2.777 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@H]3CCCOC3)C2)cc1C ZINC001023100270 716148225 /nfs/dbraw/zinc/14/82/25/716148225.db2.gz FBOFBIAIZQMVTF-KURKYZTESA-N 1 0 346.471 2.557 20 10 EFCDRO CCC[N@@H+]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C(C)(C)C1 ZINC000977660508 716452671 /nfs/dbraw/zinc/45/26/71/716452671.db2.gz LXNFMPIQBWUYHZ-AWEZNQCLSA-N 1 0 331.420 2.699 20 10 EFCDRO C[N@H+](CC1CC1)[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001027699148 716562796 /nfs/dbraw/zinc/56/27/96/716562796.db2.gz ZCZWDDZAPXCCSH-INIZCTEOSA-N 1 0 343.431 2.795 20 10 EFCDRO Fc1cc(CN2CCOC3(CCCC3)C2)ccc1N1CCOCC1 ZINC000093589052 716678594 /nfs/dbraw/zinc/67/85/94/716678594.db2.gz KUIIMZNFYAELNW-UHFFFAOYSA-N 1 0 334.435 2.807 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)CC3CC3)CCO2)cc1C ZINC000979145193 716749558 /nfs/dbraw/zinc/74/95/58/716749558.db2.gz PDDQECICADIHOV-HNAYVOBHSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CN(C(=O)CC3CC3)CCO2)cc1C ZINC000979145189 716749562 /nfs/dbraw/zinc/74/95/62/716749562.db2.gz PDDQECICADIHOV-DNVCBOLYSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1cc(O)c(CN2CCN(c3ccccc3F)CC2)cc1OC ZINC000158823497 716778624 /nfs/dbraw/zinc/77/86/24/716778624.db2.gz CGWQGPISODQGMO-UHFFFAOYSA-N 1 0 346.402 2.871 20 10 EFCDRO COc1ccc(CN(CCC[NH3+])c2cccc(F)c2)c(O)c1OC ZINC000893532631 716780915 /nfs/dbraw/zinc/78/09/15/716780915.db2.gz VOSXDBAICJLBCG-UHFFFAOYSA-N 1 0 334.391 2.904 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)CC3CC3)CC2)cc1 ZINC000162824168 716785597 /nfs/dbraw/zinc/78/55/97/716785597.db2.gz WUXWQCSSTVLOIK-KRWDZBQOSA-N 1 0 331.504 2.986 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC001023769848 716990271 /nfs/dbraw/zinc/99/02/71/716990271.db2.gz IJATZGYXNHDFRH-AWEZNQCLSA-N 1 0 343.431 2.701 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)c3ccc[nH]3)C2)cc1C ZINC001023841652 717080351 /nfs/dbraw/zinc/08/03/51/717080351.db2.gz WZRRBVFAQDWHHF-KRWDZBQOSA-N 1 0 341.455 2.974 20 10 EFCDRO CC[C@@H](OC)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001023882785 717106035 /nfs/dbraw/zinc/10/60/35/717106035.db2.gz IBXXIXQFSJAKOJ-QZTJIDSGSA-N 1 0 348.487 2.757 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)c3cocn3)C2)cc1C ZINC001023891823 717107389 /nfs/dbraw/zinc/10/73/89/717107389.db2.gz UIFBHYRETCKWAU-INIZCTEOSA-N 1 0 343.427 2.634 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C\c3cccs3)cc2)CC1 ZINC000893608180 717375247 /nfs/dbraw/zinc/37/52/47/717375247.db2.gz RJKLHLBCNQWBBH-HJWRWDBZSA-N 1 0 341.480 2.830 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCS(=O)(=O)Cc1ccccc1 ZINC000840932031 717467387 /nfs/dbraw/zinc/46/73/87/717467387.db2.gz BTSGWRQJRZAIFC-UHFFFAOYSA-N 1 0 346.496 2.766 20 10 EFCDRO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(C)ccc1O ZINC000179573994 717793398 /nfs/dbraw/zinc/79/33/98/717793398.db2.gz NEDDARZPICQWDA-UHFFFAOYSA-N 1 0 330.403 2.978 20 10 EFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1O ZINC000177104596 717795980 /nfs/dbraw/zinc/79/59/80/717795980.db2.gz BEHQKLXOKFDMDN-LBPRGKRZSA-N 1 0 338.835 2.726 20 10 EFCDRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+][C@H]1CCc2cccc(O)c21 ZINC000310532424 717847486 /nfs/dbraw/zinc/84/74/86/717847486.db2.gz ZQRFLJRFAQMXCC-QDEZUTFSSA-N 1 0 330.428 2.834 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2F)[NH+](C)C)cc1 ZINC000005097716 718057805 /nfs/dbraw/zinc/05/78/05/718057805.db2.gz MTDFPGNLVGCXNL-GOSISDBHSA-N 1 0 329.419 2.924 20 10 EFCDRO COc1ccc(N2CCC[N@H+](CN3C(=O)C(C)(C)C3(C)C)CC2)cc1 ZINC000177682385 718159904 /nfs/dbraw/zinc/15/99/04/718159904.db2.gz YWUUBZZUUIIZGI-UHFFFAOYSA-N 1 0 345.487 2.812 20 10 EFCDRO Cc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c(O)c1O ZINC000177673993 718162038 /nfs/dbraw/zinc/16/20/38/718162038.db2.gz BUPXROGIWBWBSA-HNNXBMFYSA-N 1 0 332.375 2.578 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)CSC)cc1C ZINC001024856833 718192438 /nfs/dbraw/zinc/19/24/38/718192438.db2.gz LYQCAMQOVRDCLZ-MRXNPFEDSA-N 1 0 336.501 2.837 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)cn1 ZINC000892572132 718296764 /nfs/dbraw/zinc/29/67/64/718296764.db2.gz TWQCGGKXTOQNPB-UHFFFAOYSA-N 1 0 345.443 2.940 20 10 EFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)[C@H]1OC ZINC000892612634 718341461 /nfs/dbraw/zinc/34/14/61/718341461.db2.gz KBDGGTKYNWTMBC-KZNAEPCWSA-N 1 0 336.501 2.522 20 10 EFCDRO Oc1ccc(Cl)cc1C[NH2+]CCn1cc(Br)cn1 ZINC000310906347 718348094 /nfs/dbraw/zinc/34/80/94/718348094.db2.gz NWAXSVQINIXLEQ-UHFFFAOYSA-N 1 0 330.613 2.794 20 10 EFCDRO COc1ccc(OCCC[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000892677934 718546905 /nfs/dbraw/zinc/54/69/05/718546905.db2.gz SCCPHBONWGFKLU-UHFFFAOYSA-N 1 0 347.411 2.977 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000166229565 718605474 /nfs/dbraw/zinc/60/54/74/718605474.db2.gz DRKDEOIMPDPKST-AUUYWEPGSA-N 1 0 335.467 2.653 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccn(C)c3)[C@H]2C)cc1C ZINC000986156150 724542548 /nfs/dbraw/zinc/54/25/48/724542548.db2.gz CZILRILHPYLHQL-YJBOKZPZSA-N 1 0 341.455 2.735 20 10 EFCDRO CC[C@H]([NH2+]C[C@](C)(O)COC)c1cc(Br)ccc1O ZINC000382565539 718961524 /nfs/dbraw/zinc/96/15/24/718961524.db2.gz NXBUINDRRPKTLE-JSGCOSHPSA-N 1 0 332.238 2.593 20 10 EFCDRO CS[C@H]1CCCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000179112277 724552235 /nfs/dbraw/zinc/55/22/35/724552235.db2.gz SHOLWXPXNTVXFY-SFHVURJKSA-N 1 0 349.544 2.929 20 10 EFCDRO CS[C@@H]1CCCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000179112293 724552664 /nfs/dbraw/zinc/55/26/64/724552664.db2.gz SHOLWXPXNTVXFY-GOSISDBHSA-N 1 0 349.544 2.929 20 10 EFCDRO CC1(C)CC[N@H+](CCNC(=O)NCCCSc2nccs2)C1 ZINC000893644439 719037480 /nfs/dbraw/zinc/03/74/80/719037480.db2.gz FMUADDGZPLEKQH-UHFFFAOYSA-N 1 0 342.534 2.656 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(OC)cn3)CC2)cc1 ZINC000892812903 719208270 /nfs/dbraw/zinc/20/82/70/719208270.db2.gz NKNPPCGZLOYRJN-UHFFFAOYSA-N 1 0 327.428 2.857 20 10 EFCDRO COC(=O)CC[N@@H+](Cc1c(O)cccc1Cl)C[C@H]1CCCO1 ZINC000127299988 724570899 /nfs/dbraw/zinc/57/08/99/724570899.db2.gz WYMRYHIGODAHQI-GFCCVEGCSA-N 1 0 327.808 2.590 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2COc3c(cccc3OC)C2)c(O)c1OC ZINC000892874120 719250051 /nfs/dbraw/zinc/25/00/51/719250051.db2.gz IMBFPAJUKGCORF-AWEZNQCLSA-N 1 0 345.395 2.511 20 10 EFCDRO CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001025631454 719259443 /nfs/dbraw/zinc/25/94/43/719259443.db2.gz BJRKOEYTYSUCBM-OCCSQVGLSA-N 1 0 331.420 2.699 20 10 EFCDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000893052079 719541518 /nfs/dbraw/zinc/54/15/18/719541518.db2.gz ARKKHJBJVMDWBV-KRWDZBQOSA-N 1 0 346.519 2.934 20 10 EFCDRO COc1ccc(C[NH2+]Cc2nc3cc(C)ccc3[nH]2)c(O)c1OC ZINC000893089691 719603961 /nfs/dbraw/zinc/60/39/61/719603961.db2.gz IHTCVRPFAUZBMD-UHFFFAOYSA-N 1 0 327.384 2.884 20 10 EFCDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000893098134 719632361 /nfs/dbraw/zinc/63/23/61/719632361.db2.gz GTASLTWMYKDHRH-CSTKLKAISA-N 1 0 341.473 2.579 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c(O)c1OC ZINC000893133506 719720625 /nfs/dbraw/zinc/72/06/25/719720625.db2.gz FDYQGLSJBJCDKZ-SUMWQHHRSA-N 1 0 339.457 2.554 20 10 EFCDRO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000180591767 719952352 /nfs/dbraw/zinc/95/23/52/719952352.db2.gz OJCSDLVXKQRPST-PXUDHTSWSA-N 1 0 326.396 2.530 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccns3)[C@@H]2C)cc1C ZINC000986320210 724643567 /nfs/dbraw/zinc/64/35/67/724643567.db2.gz CRJHVWJVSIENBF-UKRRQHHQSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2cc(N)ccc2F)c1 ZINC000182356696 720119801 /nfs/dbraw/zinc/11/98/01/720119801.db2.gz HISMFUMLSLYXPM-NSHDSACASA-N 1 0 347.390 2.802 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCc2ccc(C)c(F)c2)c1 ZINC000182425710 720129109 /nfs/dbraw/zinc/12/91/09/720129109.db2.gz YPNDNXXKCZMRFX-ZDUSSCGKSA-N 1 0 346.402 2.815 20 10 EFCDRO COc1cc(C)cc(C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)c1O ZINC000894026330 720237856 /nfs/dbraw/zinc/23/78/56/720237856.db2.gz MCMGBNAVXAVEIA-INIZCTEOSA-N 1 0 341.455 2.983 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)c(O)c1OC ZINC000894053835 720252862 /nfs/dbraw/zinc/25/28/62/720252862.db2.gz POHXWLLBAHJFFS-HNNXBMFYSA-N 1 0 329.396 2.762 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)c(O)c1OC ZINC000894053836 720252896 /nfs/dbraw/zinc/25/28/96/720252896.db2.gz POHXWLLBAHJFFS-OAHLLOKOSA-N 1 0 329.396 2.762 20 10 EFCDRO COc1ccc([C@H](CCO)[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000893264106 720343068 /nfs/dbraw/zinc/34/30/68/720343068.db2.gz CBBMMHPOFSUFRK-INIZCTEOSA-N 1 0 347.411 2.631 20 10 EFCDRO COc1ccc([C@@H](CCO)[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000893264107 720343182 /nfs/dbraw/zinc/34/31/82/720343182.db2.gz CBBMMHPOFSUFRK-MRXNPFEDSA-N 1 0 347.411 2.631 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCC2CC2)cc1 ZINC001028339974 720394675 /nfs/dbraw/zinc/39/46/75/720394675.db2.gz GXMAQJXEEVGCHL-INIZCTEOSA-N 1 0 343.431 2.843 20 10 EFCDRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185791153 720432477 /nfs/dbraw/zinc/43/24/77/720432477.db2.gz BAGYTFPZWXXPAV-STQMWFEESA-N 1 0 325.474 2.745 20 10 EFCDRO C[C@@H](CC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000178710786 720569622 /nfs/dbraw/zinc/56/96/22/720569622.db2.gz NTJVIBVWKUATNF-FUHWJXTLSA-N 1 0 329.488 2.929 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c(O)c1OC ZINC000893318187 720591690 /nfs/dbraw/zinc/59/16/90/720591690.db2.gz RYMVMYXRXWRGFL-LJQANCHMSA-N 1 0 347.386 2.642 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](c2ccccc2)N(C)C)c(O)c1OC ZINC000893321124 720610784 /nfs/dbraw/zinc/61/07/84/720610784.db2.gz UMUVAHZMRZNTFQ-MRXNPFEDSA-N 1 0 330.428 2.802 20 10 EFCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)c3ccn[nH]3)CC2)cc1C ZINC001026456134 720626063 /nfs/dbraw/zinc/62/60/63/720626063.db2.gz FDXHWFUFYFEFEV-UHFFFAOYSA-N 1 0 342.443 2.558 20 10 EFCDRO [NH3+][C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000178715233 720629785 /nfs/dbraw/zinc/62/97/85/720629785.db2.gz SYUODKBRZKZWBU-GOSISDBHSA-N 1 0 341.480 2.556 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3cc(C)on3)C2)cc1C ZINC001026670098 720910356 /nfs/dbraw/zinc/91/03/56/720910356.db2.gz PURRFUFNZVELAY-MRXNPFEDSA-N 1 0 343.427 2.552 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C)SC)C2)cc1C ZINC001026701711 720940662 /nfs/dbraw/zinc/94/06/62/720940662.db2.gz YMWUWVVFVWPUNY-ZBFHGGJFSA-N 1 0 336.501 2.693 20 10 EFCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(N3CCCC3)nc2)c1O ZINC000894171595 721127966 /nfs/dbraw/zinc/12/79/66/721127966.db2.gz JTZZFWJYDOTWPE-UHFFFAOYSA-N 1 0 327.428 2.994 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3coc(C)n3)C2)cc1C ZINC001026801983 721134350 /nfs/dbraw/zinc/13/43/50/721134350.db2.gz KHGMOBHPGVPASQ-INIZCTEOSA-N 1 0 343.427 2.552 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1O ZINC000894201116 721196459 /nfs/dbraw/zinc/19/64/59/721196459.db2.gz WCTQZYNBNGMUFP-OAHLLOKOSA-N 1 0 333.403 2.789 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@H](O)COc2c(C)cccc2C)c1O ZINC000894204066 721198206 /nfs/dbraw/zinc/19/82/06/721198206.db2.gz HZQYZLFFXURKIC-KRWDZBQOSA-N 1 0 345.439 2.856 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCNC(=O)c2ccc(Cl)cc2)c1O ZINC000894207538 721208669 /nfs/dbraw/zinc/20/86/69/721208669.db2.gz RXQBBCKSFBUJJU-UHFFFAOYSA-N 1 0 348.830 2.882 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2COc3c(cccc3OC)C2)c1 ZINC000237089248 721227797 /nfs/dbraw/zinc/22/77/97/721227797.db2.gz LNSDQYJOHSAEIB-HNNXBMFYSA-N 1 0 329.396 2.893 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000894212147 721261658 /nfs/dbraw/zinc/26/16/58/721261658.db2.gz YTHUGWIJNWMNHO-QGZVFWFLSA-N 1 0 340.423 2.600 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(c3ccc(C)cc3)C2=O)c1O ZINC000894268709 721822687 /nfs/dbraw/zinc/82/26/87/721822687.db2.gz LZXWSDLVWRGSAP-KRWDZBQOSA-N 1 0 340.423 2.913 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3cccn3C)C2)cc1C ZINC000983191218 721889388 /nfs/dbraw/zinc/88/93/88/721889388.db2.gz QJDTYEOGBFTOFR-QAQDUYKDSA-N 1 0 341.455 2.640 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)C3=COCCC3)C2)cc1C ZINC000983311456 721998968 /nfs/dbraw/zinc/99/89/68/721998968.db2.gz OGAIMTSETIJIOA-SAABIXHNSA-N 1 0 344.455 2.682 20 10 EFCDRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000894325776 722096120 /nfs/dbraw/zinc/09/61/20/722096120.db2.gz YCEOXKCBNQJLCU-GTQRCTGISA-N 1 0 325.474 2.879 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1O ZINC000894331120 722105583 /nfs/dbraw/zinc/10/55/83/722105583.db2.gz BRVPAMODXQQUFB-ROUUACIJSA-N 1 0 348.487 2.567 20 10 EFCDRO COC(=O)Nc1cccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000894419133 722730714 /nfs/dbraw/zinc/73/07/14/722730714.db2.gz OAZACAWOKINXHX-UHFFFAOYSA-N 1 0 346.383 2.878 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000894502042 722762192 /nfs/dbraw/zinc/76/21/92/722762192.db2.gz JVGMFUOYAYVMBI-LLVKDONJSA-N 1 0 333.384 2.974 20 10 EFCDRO C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000894540751 722776248 /nfs/dbraw/zinc/77/62/48/722776248.db2.gz MWOSVTBNAPKKLF-QGZVFWFLSA-N 1 0 346.377 2.903 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c(O)c1OC ZINC000894571854 722785741 /nfs/dbraw/zinc/78/57/41/722785741.db2.gz AXJQGVFKYJPZRU-HXUWFJFHSA-N 1 0 343.423 2.545 20 10 EFCDRO COc1cc(C)cc(C[NH2+]Cc2ccnc(N3CCCC3)c2)c1O ZINC000894787595 722848383 /nfs/dbraw/zinc/84/83/83/722848383.db2.gz RNOMHTGXTIXXDW-UHFFFAOYSA-N 1 0 327.428 2.994 20 10 EFCDRO CCCNC(=O)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000917643004 728769389 /nfs/dbraw/zinc/76/93/89/728769389.db2.gz MDJOFPAFNGCURT-UHFFFAOYSA-N 1 0 348.447 2.591 20 10 EFCDRO COc1ccc(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c(O)c1OC ZINC000894867728 722922038 /nfs/dbraw/zinc/92/20/38/722922038.db2.gz XRBACKUHXFEPNI-GFCCVEGCSA-N 1 0 339.432 2.819 20 10 EFCDRO COc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c(O)c1OC ZINC000894899880 723018274 /nfs/dbraw/zinc/01/82/74/723018274.db2.gz BWEJAMCLDXRPFU-HZPDHXFCSA-N 1 0 329.396 2.717 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c1O ZINC000894994006 723044465 /nfs/dbraw/zinc/04/44/65/723044465.db2.gz OCWGSCZFPKTBHP-UHFFFAOYSA-N 1 0 331.456 2.986 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cn(C)nc3C3CC3)C2)cc1 ZINC000895005272 723046721 /nfs/dbraw/zinc/04/67/21/723046721.db2.gz CWCZAZDKTSJJER-OAHLLOKOSA-N 1 0 340.471 2.922 20 10 EFCDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000895000679 723048789 /nfs/dbraw/zinc/04/87/89/723048789.db2.gz KOMANODBRNEVMW-GOSISDBHSA-N 1 0 330.815 2.675 20 10 EFCDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000895000680 723048802 /nfs/dbraw/zinc/04/88/02/723048802.db2.gz KOMANODBRNEVMW-SFHVURJKSA-N 1 0 330.815 2.675 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c(C(F)(F)F)c1 ZINC000896380843 723286133 /nfs/dbraw/zinc/28/61/33/723286133.db2.gz LYVUEAVTIRZIEB-CYBMUJFWSA-N 1 0 344.377 2.966 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2C=CCC2)[NH+](C)C)cc1 ZINC000896418342 723294034 /nfs/dbraw/zinc/29/40/34/723294034.db2.gz MLJXBNFYNWWKAQ-QAPCUYQASA-N 1 0 330.476 2.621 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2C=CCC2)[NH+](C)C)cc1 ZINC000896418340 723294039 /nfs/dbraw/zinc/29/40/39/723294039.db2.gz MLJXBNFYNWWKAQ-CRAIPNDOSA-N 1 0 330.476 2.621 20 10 EFCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000154580222 728809863 /nfs/dbraw/zinc/80/98/63/728809863.db2.gz ZUVPPSKPNMXRSQ-CYBMUJFWSA-N 1 0 342.534 2.609 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCCCC[C@@H]2CO)c1O ZINC000895150728 723469443 /nfs/dbraw/zinc/46/94/43/723469443.db2.gz BYTKWSSSPMFBQO-CYBMUJFWSA-N 1 0 344.249 2.900 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000918215597 728855496 /nfs/dbraw/zinc/85/54/96/728855496.db2.gz GMTCDCAISQBPEY-OALUTQOASA-N 1 0 344.503 2.959 20 10 EFCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000896958021 723913994 /nfs/dbraw/zinc/91/39/94/723913994.db2.gz FXGDEPCEZFVYBG-LLVKDONJSA-N 1 0 328.206 2.540 20 10 EFCDRO COc1cc(Cl)cc(C[NH+]2CCC3(CCNC(=O)O3)CC2)c1O ZINC000897014623 723945451 /nfs/dbraw/zinc/94/54/51/723945451.db2.gz XNFBFDXLDZKOCK-UHFFFAOYSA-N 1 0 340.807 2.519 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cc1OC ZINC000895379306 724089989 /nfs/dbraw/zinc/08/99/89/724089989.db2.gz UBUWTLPRFOCYBR-GOEBONIOSA-N 1 0 336.476 2.962 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cc1OC ZINC000895379304 724090097 /nfs/dbraw/zinc/09/00/97/724090097.db2.gz UBUWTLPRFOCYBR-GDBMZVCRSA-N 1 0 336.476 2.962 20 10 EFCDRO COc1cc(Br)cc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)c1O ZINC000895436241 724133170 /nfs/dbraw/zinc/13/31/70/724133170.db2.gz AHDUKRJOZDTEPK-CHWSQXEVSA-N 1 0 344.249 2.899 20 10 EFCDRO Cc1cc(O)c(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)cc1Cl ZINC000897257778 724137341 /nfs/dbraw/zinc/13/73/41/724137341.db2.gz NJMHWTYOIQDQSZ-AWEZNQCLSA-N 1 0 325.836 2.860 20 10 EFCDRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3ccc(C)cc3O)C2)cc1 ZINC000895497386 724168754 /nfs/dbraw/zinc/16/87/54/724168754.db2.gz IDAMRJQFYLBSOW-QGZVFWFLSA-N 1 0 326.396 2.992 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)cc1F ZINC000895575800 724201104 /nfs/dbraw/zinc/20/11/04/724201104.db2.gz JRLPNNVTZWSOBP-CALCHBBNSA-N 1 0 333.451 2.582 20 10 EFCDRO CCO/C=C\[C@](O)(C[NH2+]Cc1cccc(OCC)c1O)C(F)(F)F ZINC000895705589 724265423 /nfs/dbraw/zinc/26/54/23/724265423.db2.gz BFDWETJUGZFPLS-CDNLZTBQSA-N 1 0 349.349 2.724 20 10 EFCDRO CCO/C=C\[C@](O)(C[NH2+]Cc1c(O)cccc1Cl)C(F)(F)F ZINC000895707703 724266982 /nfs/dbraw/zinc/26/69/82/724266982.db2.gz MLQDLOWEUNTADU-FWWRYZNZSA-N 1 0 339.741 2.979 20 10 EFCDRO CCO/C=C/[C@](O)(C[NH2+]Cc1ccc(N(C)C)cc1)C(F)(F)F ZINC000895710421 724269970 /nfs/dbraw/zinc/26/99/70/724269970.db2.gz VFGNZCANAVQCCW-FEAKQIBJSA-N 1 0 332.366 2.686 20 10 EFCDRO CCOc1cccc(C[N@H+](CCO)Cc2ccc(OC)cc2)c1O ZINC000895710075 724280145 /nfs/dbraw/zinc/28/01/45/724280145.db2.gz FVBFRADLSYBNPP-UHFFFAOYSA-N 1 0 331.412 2.794 20 10 EFCDRO Cc1cccc(OC[C@H](O)C[NH2+]Cc2ccc3c(c2)CCCN3C)c1 ZINC000727644449 724283118 /nfs/dbraw/zinc/28/31/18/724283118.db2.gz FJPHSHYVKNSZBR-LJQANCHMSA-N 1 0 340.467 2.907 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCC(C)(C)F)[NH+](C)C)cc1 ZINC000895774367 724307721 /nfs/dbraw/zinc/30/77/21/724307721.db2.gz FBEQNTWRONXBDN-MRXNPFEDSA-N 1 0 338.471 2.793 20 10 EFCDRO COc1ccc(F)cc1CC[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000895805894 724325737 /nfs/dbraw/zinc/32/57/37/724325737.db2.gz JHCYGLUDFDSRBB-UHFFFAOYSA-N 1 0 335.375 2.889 20 10 EFCDRO CCOC(=O)C1CCC([NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000895825795 724334926 /nfs/dbraw/zinc/33/49/26/724334926.db2.gz NGXARURQPZZPJC-UHFFFAOYSA-N 1 0 337.416 2.621 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1O ZINC000895838043 724335344 /nfs/dbraw/zinc/33/53/44/724335344.db2.gz ZQRIGWSEPVBFDE-CYBMUJFWSA-N 1 0 339.741 2.801 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)[NH+]2CCCCC2)c1 ZINC000729049452 724877055 /nfs/dbraw/zinc/87/70/55/724877055.db2.gz FOJAKWUUYFKYAY-UONOGXRCSA-N 1 0 335.448 2.635 20 10 EFCDRO Cc1cc(C(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)n1-c1ccccc1C ZINC000728913601 724883311 /nfs/dbraw/zinc/88/33/11/724883311.db2.gz NSOJJZVPDAYFNH-QZTJIDSGSA-N 1 0 337.467 2.736 20 10 EFCDRO C[N@H+](CC1CC1)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000985813491 724906886 /nfs/dbraw/zinc/90/68/86/724906886.db2.gz FBAIQNOHLDKBIV-UHFFFAOYSA-N 1 0 343.431 2.795 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cccnc3)[C@H]2C)cc1C ZINC000985894549 724955670 /nfs/dbraw/zinc/95/56/70/724955670.db2.gz DMGSMCCPDBCHSG-YJBOKZPZSA-N 1 0 339.439 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc(C)on3)[C@@H]2C)cc1C ZINC000985936624 724978589 /nfs/dbraw/zinc/97/85/89/724978589.db2.gz YVJKNRJGZNJXJV-GDBMZVCRSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc(C)on3)[C@@H]2C)cc1C ZINC000985936643 724978681 /nfs/dbraw/zinc/97/86/81/724978681.db2.gz YVJKNRJGZNJXJV-ZBFHGGJFSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cncs3)[C@H]2C)cc1C ZINC000986040503 725022698 /nfs/dbraw/zinc/02/26/98/725022698.db2.gz KPGQGDLPNIPFFE-ZFWWWQNUSA-N 1 0 345.468 2.853 20 10 EFCDRO C/C=C(/C=C/C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)CC ZINC000918857597 728933148 /nfs/dbraw/zinc/93/31/48/728933148.db2.gz QBKBVADUOGMHBO-AUAURUDGSA-N 1 0 327.472 2.967 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C(F)F)C2)cc1C ZINC000994597311 728949410 /nfs/dbraw/zinc/94/94/10/728949410.db2.gz NEHHMRQTERASIE-KBPBESRZSA-N 1 0 326.387 2.643 20 10 EFCDRO CCOc1cccc(C[NH2+]CC2(NC(=O)OC(C)(C)C)CC2)c1O ZINC000897422296 725515718 /nfs/dbraw/zinc/51/57/18/725515718.db2.gz HFLIXSADZRPJPY-UHFFFAOYSA-N 1 0 336.432 2.938 20 10 EFCDRO NC(=O)C1CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000054421916 725602354 /nfs/dbraw/zinc/60/23/54/725602354.db2.gz XDBIFOOGTYPVRU-UHFFFAOYSA-N 1 0 328.412 2.715 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3ccc[nH]3)[C@H]2C)cc1C ZINC000987551348 725748248 /nfs/dbraw/zinc/74/82/48/725748248.db2.gz NMMHUPNBTLRIKH-MAUKXSAKSA-N 1 0 341.455 2.653 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C3CCOCC3)C2)cc1C ZINC000987757122 725840606 /nfs/dbraw/zinc/84/06/06/725840606.db2.gz NUJFPUGSFJFZFW-CRAIPNDOSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3ccncc3)C2)cc1C ZINC000987804422 725857951 /nfs/dbraw/zinc/85/79/51/725857951.db2.gz VNSTUNMSOMXTEF-MAUKXSAKSA-N 1 0 339.439 2.791 20 10 EFCDRO O=C(NCCCSc1nccs1)NC1CC[NH+](C2CC2)CC1 ZINC000151922445 725868251 /nfs/dbraw/zinc/86/82/51/725868251.db2.gz LYOPKDWVIBDMFF-UHFFFAOYSA-N 1 0 340.518 2.551 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCF)CC3)cc1 ZINC000992547855 725956397 /nfs/dbraw/zinc/95/63/97/725956397.db2.gz LYEYWTXNIVUYQL-WMLDXEAASA-N 1 0 347.394 2.545 20 10 EFCDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000090462914 725985907 /nfs/dbraw/zinc/98/59/07/725985907.db2.gz KUJLHEKYPOGNMS-BBRMVZONSA-N 1 0 339.505 2.545 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3ccc[nH]3)C2)cc1C ZINC000988038195 726036526 /nfs/dbraw/zinc/03/65/26/726036526.db2.gz QNWAPHHCPYYIDH-HOCLYGCPSA-N 1 0 327.428 2.725 20 10 EFCDRO C[C@@H](CNC(=O)NCCCSc1nccs1)C[NH+]1CCCC1 ZINC000152548781 726157914 /nfs/dbraw/zinc/15/79/14/726157914.db2.gz GUDOCHKLYXVMJH-ZDUSSCGKSA-N 1 0 342.534 2.656 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C(=O)C(C)(C)C)C2)cc1C ZINC000988389982 726231342 /nfs/dbraw/zinc/23/13/42/726231342.db2.gz IJKPKEPPUAIWKU-HOCLYGCPSA-N 1 0 346.471 2.698 20 10 EFCDRO CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]21 ZINC000992928086 726343403 /nfs/dbraw/zinc/34/34/03/726343403.db2.gz WCTFMAVOVJILHM-CWRNSKLLSA-N 1 0 343.431 2.699 20 10 EFCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000152984608 726354170 /nfs/dbraw/zinc/35/41/70/726354170.db2.gz RTKOLEZFYLODSB-ZDUSSCGKSA-N 1 0 343.427 2.912 20 10 EFCDRO CN(C)c1ccc([C@H](CNc2cc(Cl)nc(=O)[nH]2)[NH+](C)C)cc1 ZINC000897521658 726397837 /nfs/dbraw/zinc/39/78/37/726397837.db2.gz HCAOCBYDQLYCQC-ZDUSSCGKSA-N 1 0 335.839 2.616 20 10 EFCDRO Cc1ccc(O)c(C[NH+]2CCC(C(=O)NCCCOC(C)C)CC2)c1 ZINC000153090604 726408125 /nfs/dbraw/zinc/40/81/25/726408125.db2.gz KRWYVYAEOTYNIT-UHFFFAOYSA-N 1 0 348.487 2.844 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000731120182 726807576 /nfs/dbraw/zinc/80/75/76/726807576.db2.gz PQVYSYNKCNLXPD-SFHVURJKSA-N 1 0 344.503 2.816 20 10 EFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)OC(C)(C)C)CC2)cc1 ZINC000731148432 726810884 /nfs/dbraw/zinc/81/08/84/726810884.db2.gz JSZZWOWZACGQEI-UHFFFAOYSA-N 1 0 349.475 2.732 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NCC[N@H+](C)C(C)C)cc1F ZINC000731363260 726847191 /nfs/dbraw/zinc/84/71/91/726847191.db2.gz ASFROTYVYUVQFX-UHFFFAOYSA-N 1 0 338.471 2.811 20 10 EFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCCSc1nccs1 ZINC000153464233 726861517 /nfs/dbraw/zinc/86/15/17/726861517.db2.gz RONOJFRROSKKSM-CYBMUJFWSA-N 1 0 342.534 2.799 20 10 EFCDRO COc1ccc(N2CCN(C(=O)C[N@H+](CC(C)C)C(C)C)CC2)cc1 ZINC000915218119 726903920 /nfs/dbraw/zinc/90/39/20/726903920.db2.gz IZFMGYMIUREYCD-UHFFFAOYSA-N 1 0 347.503 2.710 20 10 EFCDRO CC[NH+]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000915223792 726904639 /nfs/dbraw/zinc/90/46/39/726904639.db2.gz IZYFKKBOWZDORC-UHFFFAOYSA-N 1 0 332.448 2.723 20 10 EFCDRO O=C1CCCN1CCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000731844328 726941526 /nfs/dbraw/zinc/94/15/26/726941526.db2.gz QIRKDCHTFBVVDX-UHFFFAOYSA-N 1 0 328.412 3.000 20 10 EFCDRO COc1cccc(C[NH+]2CCC(NC(=O)C3=CC(=O)CS3)CC2)c1 ZINC000731870711 726945789 /nfs/dbraw/zinc/94/57/89/726945789.db2.gz NEAPYQKOKSFAHN-UHFFFAOYSA-N 1 0 346.452 2.857 20 10 EFCDRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000732186736 727002084 /nfs/dbraw/zinc/00/20/84/727002084.db2.gz ZABVCFZQJXACPF-OAHLLOKOSA-N 1 0 325.412 2.527 20 10 EFCDRO O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)NCc1cccnc1 ZINC000732204347 727004523 /nfs/dbraw/zinc/00/45/23/727004523.db2.gz JJTCYIIVULFRJC-UHFFFAOYSA-N 1 0 339.439 2.848 20 10 EFCDRO CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000732448986 727081397 /nfs/dbraw/zinc/08/13/97/727081397.db2.gz MWHHOOHQZHDQQE-SFHVURJKSA-N 1 0 344.503 2.959 20 10 EFCDRO CCCC[N@H+](C)CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000732885735 727269524 /nfs/dbraw/zinc/26/95/24/727269524.db2.gz DHFRCZNYUJSXOB-UHFFFAOYSA-N 1 0 332.492 2.600 20 10 EFCDRO C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H]1CCC[NH+](C)C1 ZINC000092253548 727326043 /nfs/dbraw/zinc/32/60/43/727326043.db2.gz CVODJMSTNCKHAY-NSHDSACASA-N 1 0 327.812 2.727 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000733328314 727546752 /nfs/dbraw/zinc/54/67/52/727546752.db2.gz OCKGAZMMHJIHJC-QGZVFWFLSA-N 1 0 333.363 2.623 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C12CCC(CC1)[NH2+]2 ZINC000911632849 727574756 /nfs/dbraw/zinc/57/47/56/727574756.db2.gz LCTQWALCFFMUPM-UHFFFAOYSA-N 1 0 327.472 2.920 20 10 EFCDRO CCn1cc(Cl)cc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911665935 727576544 /nfs/dbraw/zinc/57/65/44/727576544.db2.gz FZNUJVJUEXVBHP-HNNXBMFYSA-N 1 0 334.851 2.657 20 10 EFCDRO CC[NH+](CC)CCSCC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000153926867 727672099 /nfs/dbraw/zinc/67/20/99/727672099.db2.gz PTTFGTPIRMSILF-CYBMUJFWSA-N 1 0 340.489 2.653 20 10 EFCDRO C[C@H]1[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCC[N@@H+]1CC1CC1 ZINC000994497645 727772136 /nfs/dbraw/zinc/77/21/36/727772136.db2.gz QORRCBGRFVLTGX-BLLLJJGKSA-N 1 0 343.431 2.842 20 10 EFCDRO C[C@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCC[N@@H+]1CC1CC1 ZINC000994497649 727772195 /nfs/dbraw/zinc/77/21/95/727772195.db2.gz QORRCBGRFVLTGX-LRDDRELGSA-N 1 0 343.431 2.842 20 10 EFCDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCCSc2nccs2)C1 ZINC000154305562 727781879 /nfs/dbraw/zinc/78/18/79/727781879.db2.gz AUXNFLFPFQTQGB-QWHCGFSZSA-N 1 0 342.534 2.797 20 10 EFCDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCCSc2nccs2)C1 ZINC000154305896 727782090 /nfs/dbraw/zinc/78/20/90/727782090.db2.gz AUXNFLFPFQTQGB-OLZOCXBDSA-N 1 0 342.534 2.797 20 10 EFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C[C@@H]3CC=CCC3)cc2)C1 ZINC000917394277 727800209 /nfs/dbraw/zinc/80/02/09/727800209.db2.gz GUHFIBDDSAYQQF-SJLPKXTDSA-N 1 0 327.472 2.834 20 10 EFCDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000182909642 727865154 /nfs/dbraw/zinc/86/51/54/727865154.db2.gz PWPSXHUVLSMBQT-MRXNPFEDSA-N 1 0 338.517 2.836 20 10 EFCDRO CCc1cc(CN(C)[C@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000054866207 727886081 /nfs/dbraw/zinc/88/60/81/727886081.db2.gz IZZYJNVKLWMMQI-HNNXBMFYSA-N 1 0 339.501 2.871 20 10 EFCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164265091 727923906 /nfs/dbraw/zinc/92/39/06/727923906.db2.gz TXAPJXCXBVJZJP-HNNXBMFYSA-N 1 0 334.460 2.838 20 10 EFCDRO O=C(CN(Cc1ccco1)Cc1ccccc1O)NCc1ccco1 ZINC000070975122 727970841 /nfs/dbraw/zinc/97/08/41/727970841.db2.gz QCETUOIIPXJIJQ-UHFFFAOYSA-N 1 0 340.379 2.897 20 10 EFCDRO [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000841099545 727973544 /nfs/dbraw/zinc/97/35/44/727973544.db2.gz LLTQIJHQWHTFHN-WMLDXEAASA-N 1 0 342.842 2.903 20 10 EFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CCc3ccccc3)CC2)cc1 ZINC000182185463 727983329 /nfs/dbraw/zinc/98/33/29/727983329.db2.gz JKWAKFVKFPXKRY-FQEVSTJZSA-N 1 0 340.467 2.811 20 10 EFCDRO COc1cc(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000165130452 728016167 /nfs/dbraw/zinc/01/61/67/728016167.db2.gz MJOHERHMEBYKDN-HNNXBMFYSA-N 1 0 348.487 2.999 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCc2ccccc2F)c1 ZINC000182338765 728092207 /nfs/dbraw/zinc/09/22/07/728092207.db2.gz ZAXFQGREWAUQTG-LBPRGKRZSA-N 1 0 332.375 2.507 20 10 EFCDRO Cc1ccc(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)c(O)c1O ZINC000182426296 728148061 /nfs/dbraw/zinc/14/80/61/728148061.db2.gz PCCHOJUVZSXFAA-UHFFFAOYSA-N 1 0 344.411 2.989 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COCc2cccs2)c1 ZINC000182429048 728148532 /nfs/dbraw/zinc/14/85/32/728148532.db2.gz XCSDWNFLEJOYJX-CHWSQXEVSA-N 1 0 337.441 2.691 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)c1 ZINC000182415233 728152378 /nfs/dbraw/zinc/15/23/78/728152378.db2.gz VCJDGVXDJUFRLS-LBPRGKRZSA-N 1 0 325.368 2.562 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccccc1O ZINC000183612337 728199919 /nfs/dbraw/zinc/19/99/19/728199919.db2.gz LKDUTTSXBARAJD-JKSUJKDBSA-N 1 0 340.423 2.723 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H](C)CCn3cccn3)CC2)cc1 ZINC000157713150 728202628 /nfs/dbraw/zinc/20/26/28/728202628.db2.gz UYDLGNMXOWASMH-INIZCTEOSA-N 1 0 328.460 2.929 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157817121 728217554 /nfs/dbraw/zinc/21/75/54/728217554.db2.gz KOIMLMIWNSOXAW-MAUKXSAKSA-N 1 0 347.478 2.797 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1F ZINC000167740916 728228166 /nfs/dbraw/zinc/22/81/66/728228166.db2.gz ROZVEIMYGYWHPG-SFHVURJKSA-N 1 0 343.446 2.858 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCCCCn2ccnc2C)c1 ZINC000173436459 728626255 /nfs/dbraw/zinc/62/62/55/728626255.db2.gz LCWCCRMGJKOVCB-CYBMUJFWSA-N 1 0 346.431 2.746 20 10 EFCDRO CC[C@H](C)NC(=O)C[N@H+](CC)Cc1cc(Br)ccc1O ZINC000174423049 728664628 /nfs/dbraw/zinc/66/46/28/728664628.db2.gz GLQPLCARZUSBCU-NSHDSACASA-N 1 0 343.265 2.891 20 10 EFCDRO CNC(=O)CC1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000173907990 728641492 /nfs/dbraw/zinc/64/14/92/728641492.db2.gz AFOZXYUWUKXBNS-UHFFFAOYSA-N 1 0 334.460 2.743 20 10 EFCDRO COc1ccc(O)c(CNC(=O)NCCC[NH+](C(C)C)C(C)C)c1 ZINC000174262119 728657583 /nfs/dbraw/zinc/65/75/83/728657583.db2.gz KWKLEROSUXBXHG-UHFFFAOYSA-N 1 0 337.464 2.709 20 10 EFCDRO COc1cc(O)c(C[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1OC ZINC000181524096 729028480 /nfs/dbraw/zinc/02/84/80/729028480.db2.gz KFSYYFFPCIYXBV-OAHLLOKOSA-N 1 0 346.427 2.929 20 10 EFCDRO COCC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC000919770748 729084386 /nfs/dbraw/zinc/08/43/86/729084386.db2.gz SQFJUYGAGCMAKA-UHFFFAOYSA-N 1 0 347.503 2.602 20 10 EFCDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000919896628 729108017 /nfs/dbraw/zinc/10/80/17/729108017.db2.gz CYZFTINTQYVMMC-CVEARBPZSA-N 1 0 332.492 2.672 20 10 EFCDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000919899272 729108399 /nfs/dbraw/zinc/10/83/99/729108399.db2.gz XNOLRGQTTPSITO-ZACQAIPSSA-N 1 0 346.519 2.918 20 10 EFCDRO Cc1cc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000919966733 729119558 /nfs/dbraw/zinc/11/95/58/729119558.db2.gz AEVVRFIMZTUSAQ-OAHLLOKOSA-N 1 0 340.471 2.951 20 10 EFCDRO CCN(CC)c1ccc(CNC(=S)NC2CC[NH+](C)CC2)cc1 ZINC000920311060 729169850 /nfs/dbraw/zinc/16/98/50/729169850.db2.gz ZILCPBJROWMAKJ-UHFFFAOYSA-N 1 0 334.533 2.591 20 10 EFCDRO C[C@@H](NC(=O)CCCCCC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000237550724 729537754 /nfs/dbraw/zinc/53/77/54/729537754.db2.gz BBUXBPIAQNRGHF-MRXNPFEDSA-N 1 0 333.476 2.610 20 10 EFCDRO C[C@H](CC(=O)NCCCSc1nccs1)[C@H]1CCC[NH2+]C1 ZINC000237625401 729589325 /nfs/dbraw/zinc/58/93/25/729589325.db2.gz MBVBMFNKELUMNR-OLZOCXBDSA-N 1 0 327.519 2.767 20 10 EFCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000237898769 729658349 /nfs/dbraw/zinc/65/83/49/729658349.db2.gz VQMMWHIGZOQOOY-FQEVSTJZSA-N 1 0 326.440 2.655 20 10 EFCDRO C[NH+](C)CCOc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000180674809 729763701 /nfs/dbraw/zinc/76/37/01/729763701.db2.gz KOOFQJXFVYLDJG-ONNFQVAWSA-N 1 0 342.395 2.690 20 10 EFCDRO CCC[N@H+](CC(=O)NCc1ccccc1OC)Cc1ccccc1O ZINC000069009956 729770594 /nfs/dbraw/zinc/77/05/94/729770594.db2.gz JIJIDJNLGMEKBO-UHFFFAOYSA-N 1 0 342.439 2.929 20 10 EFCDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cccc(C)c2O)cc1OC ZINC000877830310 1126122875 /nfs/dbraw/zinc/12/28/75/1126122875.db2.gz GADSHCUCCKYEOD-FQEVSTJZSA-N 1 0 345.439 2.801 20 10 EFCDRO C[C@H](NC(=O)c1cc(C2CC[NH2+]CC2)no1)c1ccc(N(C)C)cc1 ZINC001576224886 1089026090 /nfs/dbraw/zinc/02/60/90/1089026090.db2.gz NLWFVUNVJLTXMN-ZDUSSCGKSA-N 1 0 342.443 2.699 20 10 EFCDRO C[C@H]1Cc2cc(C[NH2+]C[C@H](N)c3ccc(N(C)C)cc3)ccc2O1 ZINC001576861174 1089492180 /nfs/dbraw/zinc/49/21/80/1089492180.db2.gz BUSSBAQNZISFDO-LIRRHRJNSA-N 1 0 325.456 2.866 20 10 EFCDRO CCCCN(Cc1ccccc1O)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC001577457569 1089981970 /nfs/dbraw/zinc/98/19/70/1089981970.db2.gz AUHAOKJHILRTFL-CQSZACIVSA-N 1 0 326.387 2.766 20 10 EFCDRO CC[NH2+]CCCNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001577843139 1090198875 /nfs/dbraw/zinc/19/88/75/1090198875.db2.gz OTZYYVYGBYBCLT-UHFFFAOYSA-N 1 0 338.415 2.517 20 10 EFCDRO CC[NH2+]CCn1c(C2CCCC2)nnc1N(C)Cc1ccccc1O ZINC001577865683 1090201123 /nfs/dbraw/zinc/20/11/23/1090201123.db2.gz UGHKKVBGSQTMOL-UHFFFAOYSA-N 1 0 343.475 2.887 20 10 EFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 ZINC001578427270 1090369475 /nfs/dbraw/zinc/36/94/75/1090369475.db2.gz OLAHYVANESLHOF-SIXWZSSISA-N 1 0 343.471 2.646 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)/C=C/SCc2ccco2)cc1 ZINC001578424769 1090369806 /nfs/dbraw/zinc/36/98/06/1090369806.db2.gz VCJNNGFSDPPJDH-KAMXEHQASA-N 1 0 345.468 2.909 20 10 EFCDRO C[NH2+]C1CC(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)C1 ZINC001578593249 1090406223 /nfs/dbraw/zinc/40/62/23/1090406223.db2.gz FGRYUJMIQXNOGJ-UHFFFAOYSA-N 1 0 343.393 2.642 20 10 EFCDRO COC(C)(C)c1nsc(NC[C@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC001578898373 1090469230 /nfs/dbraw/zinc/46/92/30/1090469230.db2.gz XQFFLCQAXPMUIO-ZDUSSCGKSA-N 1 0 335.477 2.598 20 10 EFCDRO COc1cc(C)cc(CNc2ccc([C@H]3C[NH2+]CCO3)cc2)c1O ZINC001579145791 1090526145 /nfs/dbraw/zinc/52/61/45/1090526145.db2.gz XCMXUIFVPOQWDD-GOSISDBHSA-N 1 0 328.412 2.982 20 10 EFCDRO COc1cc([N+](=O)[O-])c(N2CCC3(CCC[C@@H]3C[NH3+])CC2)cc1OC ZINC001579159814 1090530724 /nfs/dbraw/zinc/53/07/24/1090530724.db2.gz FPVWBZFYQUFDRH-CYBMUJFWSA-N 1 0 349.431 2.957 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3C[NH2+]CC34CC4)c2C)cc1 ZINC001579185240 1090537439 /nfs/dbraw/zinc/53/74/39/1090537439.db2.gz HDCYGEBBIZBQBS-SFHVURJKSA-N 1 0 339.439 2.585 20 10 EFCDRO COc1cccc(C[C@H]([NH3+])C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC001579273463 1090573943 /nfs/dbraw/zinc/57/39/43/1090573943.db2.gz UPIHSCUAAWOGIE-KUHUBIRLSA-N 1 0 341.455 2.508 20 10 EFCDRO Cc1cc(C(=O)N(C)C[C@H](O)C[NH3+])c(C)n1-c1cccc(C(C)C)c1 ZINC001579556834 1090633060 /nfs/dbraw/zinc/63/30/60/1090633060.db2.gz OPRVSARMOGSRES-GOSISDBHSA-N 1 0 343.471 2.609 20 10 EFCDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C[C@H]2F)c(C)n1-c1ccc(F)cc1 ZINC001579563763 1090634564 /nfs/dbraw/zinc/63/45/64/1090634564.db2.gz RUCWXMSFWUXDJS-SJORKVTESA-N 1 0 333.382 2.663 20 10 EFCDRO Cc1cc(CCNC(=O)[C@H]2CC[NH2+][C@@H]2C)c(C)n1-c1ccccc1 ZINC001579592998 1090638496 /nfs/dbraw/zinc/63/84/96/1090638496.db2.gz PYDFGEAIAOZOAP-BEFAXECRSA-N 1 0 325.456 2.751 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001579589703 1090638534 /nfs/dbraw/zinc/63/85/34/1090638534.db2.gz NBEOSBXKTOGOPE-SUMWQHHRSA-N 1 0 339.439 2.777 20 10 EFCDRO Cc1cc(CCNC(=O)NCC(C)(C)[NH3+])c(C)n1-c1ccccc1 ZINC001579592786 1090638718 /nfs/dbraw/zinc/63/87/18/1090638718.db2.gz LPOPXZZRBXFJBZ-UHFFFAOYSA-N 1 0 328.460 2.673 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC001579617975 1090644954 /nfs/dbraw/zinc/64/49/54/1090644954.db2.gz XPAQTOWOESPNAX-SJLPKXTDSA-N 1 0 346.519 2.823 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N(C)CCC[NH3+])ccc1C ZINC001579660156 1090655715 /nfs/dbraw/zinc/65/57/15/1090655715.db2.gz FHDGFHWRFXVDCY-UHFFFAOYSA-N 1 0 327.428 2.636 20 10 EFCDRO [NH3+][C@@H](CCNC(=O)NCc1cccc(Cl)c1O)Cc1ccccc1 ZINC001580126503 1090782273 /nfs/dbraw/zinc/78/22/73/1090782273.db2.gz CXDPUGOYHWJFEC-HNNXBMFYSA-N 1 0 347.846 2.805 20 10 EFCDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C2)C1 ZINC001580201194 1090808080 /nfs/dbraw/zinc/80/80/80/1090808080.db2.gz XIMBYKUUDMBNEJ-XTQGRXLLSA-N 1 0 342.842 2.903 20 10 EFCDRO O=C(c1cccc2c1CC[NH2+]C2)N1CCOc2c(F)c(F)ccc21 ZINC001580825017 1091021790 /nfs/dbraw/zinc/02/17/90/1091021790.db2.gz QGBFOAGCQCUUSG-UHFFFAOYSA-N 1 0 330.334 2.650 20 10 EFCDRO O=[N+]([O-])c1cc(CN[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)ccc1N1CCCCC1 ZINC001580875007 1091031342 /nfs/dbraw/zinc/03/13/42/1091031342.db2.gz UACIQRACTCJQLT-OWCLPIDISA-N 1 0 330.432 2.568 20 10 EFCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)cc1Cl ZINC001581040424 1091063897 /nfs/dbraw/zinc/06/38/97/1091063897.db2.gz QGJSWCGPBPSOAA-UHFFFAOYSA-N 1 0 347.781 2.963 20 10 EFCDRO C/C=C\C[C@H](CO)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000588489558 1092479244 /nfs/dbraw/zinc/47/92/44/1092479244.db2.gz GLWSMOJKVOLTRY-VSQXVHSFSA-N 1 0 330.222 2.580 20 10 EFCDRO COCC(=O)N[C@H](C)c1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)cc1 ZINC001167625148 1093137774 /nfs/dbraw/zinc/13/77/74/1093137774.db2.gz OFZIYGDAIZYUIB-CQSZACIVSA-N 1 0 347.503 2.995 20 10 EFCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC001590679067 1093544835 /nfs/dbraw/zinc/54/48/35/1093544835.db2.gz QHHDICOQNXMLNW-ZDUSSCGKSA-N 1 0 337.431 2.569 20 10 EFCDRO CCc1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)c1O ZINC001590897272 1093623171 /nfs/dbraw/zinc/62/31/71/1093623171.db2.gz ZQJIRGDYHRTSGY-UHFFFAOYSA-N 1 0 327.363 2.564 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)Cc2csc(-c3nn[nH]n3)c2)cc1 ZINC001591139875 1093669523 /nfs/dbraw/zinc/66/95/23/1093669523.db2.gz GMYXEHQCSWIVOF-UHFFFAOYSA-N 1 0 328.445 2.626 20 10 EFCDRO COc1cc(C)c(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c(O)c1 ZINC001591519772 1093747491 /nfs/dbraw/zinc/74/74/91/1093747491.db2.gz YHOWLTUNBFHXOT-UHFFFAOYSA-N 1 0 339.399 2.521 20 10 EFCDRO C[C@@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1O ZINC001591729804 1093846101 /nfs/dbraw/zinc/84/61/01/1093846101.db2.gz KUEKMURZLMUJAT-CYBMUJFWSA-N 1 0 339.399 2.692 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c(O)c1 ZINC001592135492 1093992732 /nfs/dbraw/zinc/99/27/32/1093992732.db2.gz ILWYJVTUBJVYGE-NSHDSACASA-N 1 0 327.363 2.871 20 10 EFCDRO c1cc(-c2nn[nH]n2)cc(C2([NH2+]Cc3ccc4c(c3)CCCO4)CC2)c1 ZINC001593547580 1094357868 /nfs/dbraw/zinc/35/78/68/1094357868.db2.gz NJWQTKJUVIFVLE-UHFFFAOYSA-N 1 0 347.422 2.971 20 10 EFCDRO C[NH+](C)[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1cccc(F)c1 ZINC000588403343 1094403907 /nfs/dbraw/zinc/40/39/07/1094403907.db2.gz FCZAUJKDJWXANS-GQSKFBFOSA-N 1 0 344.386 2.669 20 10 EFCDRO Cc1cc(C)nc(N2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)n1 ZINC000782938107 1094495775 /nfs/dbraw/zinc/49/57/75/1094495775.db2.gz QQPOUVQSKVMQBE-UHFFFAOYSA-N 1 0 349.438 2.669 20 10 EFCDRO C[N@H+](Cc1ccccc1O)Cc1ccc(-c2nn[nH]n2)cc1Cl ZINC001604819145 1096965619 /nfs/dbraw/zinc/96/56/19/1096965619.db2.gz UWMUVOVQBLPYGC-UHFFFAOYSA-N 1 0 329.791 2.858 20 10 EFCDRO COc1cccc(C[NH2+]C(C)(C)c2cccc(-c3nn[nH]n3)c2)c1O ZINC001605318495 1097094527 /nfs/dbraw/zinc/09/45/27/1097094527.db2.gz XHVDGOPMTPAMAA-UHFFFAOYSA-N 1 0 339.399 2.606 20 10 EFCDRO Cc1cc(O)c(C[NH2+]CCc2ccc(-c3nn[nH]n3)cc2)c(Cl)c1 ZINC001605745046 1097212714 /nfs/dbraw/zinc/21/27/14/1097212714.db2.gz XCAUCRWKHAKROR-UHFFFAOYSA-N 1 0 343.818 2.866 20 10 EFCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCc3cc(-c4nn[nH]n4)ccc32)cc1C ZINC001605745014 1097212940 /nfs/dbraw/zinc/21/29/40/1097212940.db2.gz WIMHEPPHLQFHST-QGZVFWFLSA-N 1 0 335.411 2.966 20 10 EFCDRO Cc1cc(O)c(C[NH2+][C@H]2CCc3cc(-c4nn[nH]n4)ccc32)cc1C ZINC001605745013 1097213005 /nfs/dbraw/zinc/21/30/05/1097213005.db2.gz WIMHEPPHLQFHST-KRWDZBQOSA-N 1 0 335.411 2.966 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)c1 ZINC001605876026 1097262252 /nfs/dbraw/zinc/26/22/52/1097262252.db2.gz ZIZLSOYDRNUITA-BLLLJJGKSA-N 1 0 335.411 2.699 20 10 EFCDRO CN1CCCc2cc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)ccc21 ZINC001609285471 1098237597 /nfs/dbraw/zinc/23/75/97/1098237597.db2.gz XZVFTGRRUIQEGG-UHFFFAOYSA-N 1 0 334.427 2.539 20 10 EFCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(Cl)c2)c1 ZINC001609358146 1098266128 /nfs/dbraw/zinc/26/61/28/1098266128.db2.gz BYKMJPZTAVSWJG-UHFFFAOYSA-N 1 0 345.790 2.524 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001609404200 1098293011 /nfs/dbraw/zinc/29/30/11/1098293011.db2.gz IZOLECUZZNSOLB-UHFFFAOYSA-N 1 0 336.443 2.873 20 10 EFCDRO O=C(c1ccc(O)c(O)c1)N1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001270038176 1098622804 /nfs/dbraw/zinc/62/28/04/1098622804.db2.gz SVEFYSYXLMTTSK-HXUWFJFHSA-N 1 0 344.455 2.969 20 10 EFCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)c3cn[nH]c3)CC2)cc1C ZINC001026458081 1099903266 /nfs/dbraw/zinc/90/32/66/1099903266.db2.gz SYDPICHCGOGNBE-UHFFFAOYSA-N 1 0 342.443 2.558 20 10 EFCDRO COc1ccc2[nH+]c(C)cc(NCCc3cc(O)c(O)cc3O)c2c1 ZINC001168013558 1100384059 /nfs/dbraw/zinc/38/40/59/1100384059.db2.gz HDBXFDCWEYBRML-UHFFFAOYSA-N 1 0 340.379 2.745 20 10 EFCDRO C[N@@H+]1CC[C@H](c2ccc(NCCc3cc(O)c(O)cc3O)cc2)C1 ZINC001168016865 1100532632 /nfs/dbraw/zinc/53/26/32/1100532632.db2.gz PJCSNKKOUMKGNK-HNNXBMFYSA-N 1 0 328.412 2.877 20 10 EFCDRO COc1c[nH+]ccc1Nc1cc(I)ccc1O ZINC001211264139 1101610035 /nfs/dbraw/zinc/61/00/35/1101610035.db2.gz WTPNCOVTXUSZKP-UHFFFAOYSA-N 1 0 342.136 2.566 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(NC(N)=O)cc3)cc2)CC1 ZINC001167431212 1101612634 /nfs/dbraw/zinc/61/26/34/1101612634.db2.gz MPHRHAUIACXSPR-UHFFFAOYSA-N 1 0 339.443 2.541 20 10 EFCDRO COc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC001167431087 1101612867 /nfs/dbraw/zinc/61/28/67/1101612867.db2.gz GLINIAWGZFPTIC-UHFFFAOYSA-N 1 0 326.444 2.763 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ccc4ccncc4n3)cc2)CC1 ZINC001167434894 1101665184 /nfs/dbraw/zinc/66/51/84/1101665184.db2.gz YKRKTXRAOCZJAA-UHFFFAOYSA-N 1 0 333.439 2.994 20 10 EFCDRO COc1cc(O)c(CN2C[C@H](C[NH3+])CC[C@@H]2C)c(Br)c1 ZINC001206810778 1101679407 /nfs/dbraw/zinc/67/94/07/1101679407.db2.gz PLPYOZVFYMDNDH-QWRGUYRKSA-N 1 0 343.265 2.723 20 10 EFCDRO CC[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1cc(Br)ccc1O ZINC000840825812 1101754993 /nfs/dbraw/zinc/75/49/93/1101754993.db2.gz MUUROIBIVNHHEA-GWCFXTLKSA-N 1 0 341.249 2.722 20 10 EFCDRO COC(=O)N1CCC([NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840892935 1102384925 /nfs/dbraw/zinc/38/49/25/1102384925.db2.gz FFZSBUIOOZFISC-HNNXBMFYSA-N 1 0 333.476 2.812 20 10 EFCDRO O=C(CCc1ccc(O)c(O)c1)N1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001271834460 1102859632 /nfs/dbraw/zinc/85/96/32/1102859632.db2.gz NXGJTGSTDWHTRH-UHFFFAOYSA-N 1 0 344.455 2.507 20 10 EFCDRO CCc1cc(OC)ccc1N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001167371187 1102907902 /nfs/dbraw/zinc/90/79/02/1102907902.db2.gz SILAHOZTSCWJER-UHFFFAOYSA-N 1 0 326.440 2.992 20 10 EFCDRO CCC[N@@H+]1CCC[C@@H](C(=O)NCCCSc2nccs2)C1 ZINC000906671151 1104421854 /nfs/dbraw/zinc/42/18/54/1104421854.db2.gz NQGFQZWNHJWKAH-CYBMUJFWSA-N 1 0 327.519 2.864 20 10 EFCDRO COc1ccc(N2CCN(C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168370685 1104463662 /nfs/dbraw/zinc/46/36/62/1104463662.db2.gz DYTWNFWJHBTINH-UHFFFAOYSA-N 1 0 329.488 2.692 20 10 EFCDRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC001168228656 1104559679 /nfs/dbraw/zinc/55/96/79/1104559679.db2.gz HJQHUKVBMHQXFZ-IBGZPJMESA-N 1 0 338.451 2.789 20 10 EFCDRO COc1cccc(C[NH2+]CC2(N3CCOCC3)CCCCC2)c1O ZINC000237366988 1104981898 /nfs/dbraw/zinc/98/18/98/1104981898.db2.gz HFVADQXUHPEZGH-UHFFFAOYSA-N 1 0 334.460 2.526 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3coc(C)n3)C2)cc1C ZINC000988690658 1105021173 /nfs/dbraw/zinc/02/11/73/1105021173.db2.gz GELJCJCITKFCMG-CJNGLKHVSA-N 1 0 343.427 2.693 20 10 EFCDRO CCCC[C@H](C[NH3+])NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841959216 1106047046 /nfs/dbraw/zinc/04/70/46/1106047046.db2.gz WODAVSGZCTXSCK-MRXNPFEDSA-N 1 0 332.492 2.944 20 10 EFCDRO CC[NH2+][C@H](C)CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841984915 1106102449 /nfs/dbraw/zinc/10/24/49/1106102449.db2.gz MQQHGUNAHRPWOZ-CQSZACIVSA-N 1 0 331.416 2.695 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000841995431 1106138328 /nfs/dbraw/zinc/13/83/28/1106138328.db2.gz MQXGJBCOGBYGCG-WKILWMFISA-N 1 0 332.492 2.659 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000842007271 1106157188 /nfs/dbraw/zinc/15/71/88/1106157188.db2.gz XQTHJIDYYWRDTQ-QGZVFWFLSA-N 1 0 332.492 2.816 20 10 EFCDRO OC1CCN(c2ccc(CN3CCC([NH2+]C4CCC4)CC3)cc2)CC1 ZINC000897980916 1106183871 /nfs/dbraw/zinc/18/38/71/1106183871.db2.gz GEGGMOUXUQGNOQ-UHFFFAOYSA-N 1 0 343.515 2.754 20 10 EFCDRO OCCc1ccc(C[NH2+]Cc2ccc(Br)cc2O)cc1 ZINC000898169475 1106257970 /nfs/dbraw/zinc/25/79/70/1106257970.db2.gz DHUMLAOYIHOTMD-UHFFFAOYSA-N 1 0 336.229 2.979 20 10 EFCDRO Cc1nc2ccccn2c1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000898278042 1106301907 /nfs/dbraw/zinc/30/19/07/1106301907.db2.gz APQXDKZXYMUMJE-UHFFFAOYSA-N 1 0 336.439 2.769 20 10 EFCDRO Cc1ncccc1CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000898257412 1106307675 /nfs/dbraw/zinc/30/76/75/1106307675.db2.gz UTKUTCNSQJPYGS-UHFFFAOYSA-N 1 0 329.419 2.698 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3oncc3C)C2)cc1C ZINC000989635819 1106499072 /nfs/dbraw/zinc/49/90/72/1106499072.db2.gz QIUXEXUBFGEDLA-ZBFHGGJFSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)Cc3ccc[nH]3)C2)cc1C ZINC000989819652 1106681648 /nfs/dbraw/zinc/68/16/48/1106681648.db2.gz LNGVHVMMNJBQEB-YJBOKZPZSA-N 1 0 341.455 2.653 20 10 EFCDRO C[C@@H](CC(=O)NCc1ccc2c(c1)CCCN2C)C1CC[NH2+]CC1 ZINC000237490356 1106857176 /nfs/dbraw/zinc/85/71/76/1106857176.db2.gz NROOUFBXPYTVLC-HNNXBMFYSA-N 1 0 329.488 2.711 20 10 EFCDRO Oc1ccc2ccncc2c1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000784000731 1106889725 /nfs/dbraw/zinc/88/97/25/1106889725.db2.gz RCCCJXGBHWGWHS-OAHLLOKOSA-N 1 0 342.439 2.958 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NCCC2(C[NH2+]CCCF)CC2)cc1 ZINC001168418483 1106891298 /nfs/dbraw/zinc/89/12/98/1106891298.db2.gz AASKGCMPNGBHSL-UHFFFAOYSA-N 1 0 349.410 2.698 20 10 EFCDRO Cc1cc(Br)cc(CN(C)CC[NH+]2CCCC2)c1O ZINC000160965250 1106939503 /nfs/dbraw/zinc/93/95/03/1106939503.db2.gz BOUJGVHRFKFPAQ-UHFFFAOYSA-N 1 0 327.266 2.991 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NCCC2(C[NH2+]CC3CC3)CC2)cc1 ZINC001168419834 1106945719 /nfs/dbraw/zinc/94/57/19/1106945719.db2.gz WQUOUSWJPKARQR-UHFFFAOYSA-N 1 0 343.431 2.749 20 10 EFCDRO Fc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)ccc1N1CCOCC1 ZINC000093506124 1107185110 /nfs/dbraw/zinc/18/51/10/1107185110.db2.gz LFPNVVKWFDXLQF-APWZRJJASA-N 1 0 334.435 2.663 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@]23CCOC3)cc1Br ZINC001233142526 1107659335 /nfs/dbraw/zinc/65/93/35/1107659335.db2.gz TUZVKIKAODFFGV-OAHLLOKOSA-N 1 0 342.233 2.918 20 10 EFCDRO CC(C)=CCN1CCC2(CC[NH+](Cc3cc(O)ccc3O)CC2)C1=O ZINC001272386284 1108148776 /nfs/dbraw/zinc/14/87/76/1108148776.db2.gz LQXTXCBVVJDNFW-UHFFFAOYSA-N 1 0 344.455 2.879 20 10 EFCDRO CC(C)CN1CC[C@]2(CCC[N@H+](Cc3cc(O)ccc3O)CC2)C1=O ZINC001272385882 1108148925 /nfs/dbraw/zinc/14/89/25/1108148925.db2.gz GUNAZEGDYNXHLX-HXUWFJFHSA-N 1 0 346.471 2.958 20 10 EFCDRO CC(C)C[N@@H+]1CCC[C@]12CCN(Cc1ccc(N(C)C)cc1)C2=O ZINC001272414454 1108227921 /nfs/dbraw/zinc/22/79/21/1108227921.db2.gz HPNBQWGKTFUANU-HXUWFJFHSA-N 1 0 329.488 2.976 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)CC1(O)CCCCC1 ZINC000905035190 1108336460 /nfs/dbraw/zinc/33/64/60/1108336460.db2.gz NJICEZIRDZWRHQ-LJQANCHMSA-N 1 0 332.488 2.823 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)CC1(O)CCCCC1 ZINC000905035187 1108337727 /nfs/dbraw/zinc/33/77/27/1108337727.db2.gz NJICEZIRDZWRHQ-IBGZPJMESA-N 1 0 332.488 2.823 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)CCOCc2ccccc2)cc1F ZINC000905076500 1108399104 /nfs/dbraw/zinc/39/91/04/1108399104.db2.gz PAOBZGGOLXSYJE-SFHVURJKSA-N 1 0 346.446 2.949 20 10 EFCDRO CN(C)c1ccc([C@H](CNCc2cc(F)ncc2F)[NH+](C)C)cc1 ZINC000898449519 1108942970 /nfs/dbraw/zinc/94/29/70/1108942970.db2.gz GYIXKJDWFBVOPO-KRWDZBQOSA-N 1 0 334.414 2.818 20 10 EFCDRO CN(C)c1ccc([C@@H](CNCc2cc(F)ncc2F)[NH+](C)C)cc1 ZINC000898449522 1108943054 /nfs/dbraw/zinc/94/30/54/1108943054.db2.gz GYIXKJDWFBVOPO-QGZVFWFLSA-N 1 0 334.414 2.818 20 10 EFCDRO COc1cncc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000898448814 1108943316 /nfs/dbraw/zinc/94/33/16/1108943316.db2.gz XUPGWVXGFIYXHV-IBGZPJMESA-N 1 0 328.460 2.549 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC2CC[NH+](CC3CC3)CC2)[NH+](C)C)cc1 ZINC000898450877 1108943966 /nfs/dbraw/zinc/94/39/66/1108943966.db2.gz UQAUKWILNDYIMK-OAQYLSRUSA-N 1 0 344.547 2.819 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cnc(C3CC3)nc2)N(C)C)cc1 ZINC000898450894 1108944165 /nfs/dbraw/zinc/94/41/65/1108944165.db2.gz VAOYMMHDHVZWFA-LJQANCHMSA-N 1 0 339.487 2.813 20 10 EFCDRO Cc1nn(C)c(Cl)c1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898452239 1108950189 /nfs/dbraw/zinc/95/01/89/1108950189.db2.gz WIMQQGFUMRXWQB-QGZVFWFLSA-N 1 0 349.910 2.840 20 10 EFCDRO CCOCc1cc(C[NH2+][C@]23CC(=O)N[C@H]2CCCC3)ccc1OC ZINC000898466517 1108958344 /nfs/dbraw/zinc/95/83/44/1108958344.db2.gz AIQXZEPTXCTWBK-PKOBYXMFSA-N 1 0 332.444 2.523 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2C3CCC2CC3)[NH+](C)C)cc1 ZINC000899103034 1109202721 /nfs/dbraw/zinc/20/27/21/1109202721.db2.gz VGVXGSIGXSLKSD-DAWZGUTISA-N 1 0 330.476 2.692 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCC=C(F)C2)[NH+](C)C)cc1 ZINC000899103933 1109202963 /nfs/dbraw/zinc/20/29/63/1109202963.db2.gz PKVZODNWSAEHRD-QGZVFWFLSA-N 1 0 334.439 2.624 20 10 EFCDRO CC(C)C1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899105837 1109204551 /nfs/dbraw/zinc/20/45/51/1109204551.db2.gz ZSRJDDGOLQUETN-SFHVURJKSA-N 1 0 332.492 2.653 20 10 EFCDRO CC[C@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899100702 1109208008 /nfs/dbraw/zinc/20/80/08/1109208008.db2.gz BUZFNOAXXVZPFN-MAUKXSAKSA-N 1 0 332.492 2.797 20 10 EFCDRO C[C@H](C1CC1)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100837 1109208221 /nfs/dbraw/zinc/20/82/21/1109208221.db2.gz FDABQIXDZQHYSW-KDOFPFPSSA-N 1 0 332.492 2.795 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)NC(C)(C)C2CC2)[NH+](C)C)cc1 ZINC000899100573 1109208312 /nfs/dbraw/zinc/20/83/12/1109208312.db2.gz AOOKDCGIAKUMOF-KRWDZBQOSA-N 1 0 332.492 2.843 20 10 EFCDRO C[C@@H]1CC[C@H](C)N1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100578 1109208482 /nfs/dbraw/zinc/20/84/82/1109208482.db2.gz ASNNUWVVCHEURZ-DAYGRLMNSA-N 1 0 332.492 2.938 20 10 EFCDRO OCCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000924751251 1109229672 /nfs/dbraw/zinc/22/96/72/1109229672.db2.gz KAXWBHRNCYXYLL-AZUAARDMSA-N 1 0 332.488 2.944 20 10 EFCDRO CC[N@H+](CCNC(=O)NCCCSc1nccs1)C(C)C ZINC000153100843 1111115013 /nfs/dbraw/zinc/11/50/13/1111115013.db2.gz VHRDDTQJFQFPFV-UHFFFAOYSA-N 1 0 330.523 2.655 20 10 EFCDRO C[N@H+](CCNC(=O)NCCCSc1nccs1)C1CCCC1 ZINC000153296368 1111315539 /nfs/dbraw/zinc/31/55/39/1111315539.db2.gz JXFZYPDVMDMNAT-UHFFFAOYSA-N 1 0 342.534 2.799 20 10 EFCDRO Cn1cc(C[N@H+](C)Cc2cc(F)cc(Br)c2[O-])cn1 ZINC001235300417 1111732490 /nfs/dbraw/zinc/73/24/90/1111732490.db2.gz YKWPZXXIOFHJBC-UHFFFAOYSA-N 1 0 328.185 2.659 20 10 EFCDRO CC(C)(C)C(=O)CN1CC[C@]2(CCC[N@@H+]2Cc2ccccc2O)C1=O ZINC001272618351 1111752272 /nfs/dbraw/zinc/75/22/72/1111752272.db2.gz GDTVTKHIQGVOTI-HXUWFJFHSA-N 1 0 344.455 2.574 20 10 EFCDRO O=C1N(CCC(F)(F)F)CC[C@@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001272618213 1111752294 /nfs/dbraw/zinc/75/22/94/1111752294.db2.gz CPQQPIXRVMGCET-MRXNPFEDSA-N 1 0 342.361 2.769 20 10 EFCDRO CC(=O)[C@@H](C)N1CC2(CCC1=O)CC[NH+](Cc1ccccc1O)CC2 ZINC001272618437 1111753106 /nfs/dbraw/zinc/75/31/06/1111753106.db2.gz HTKZFAPRFHJPGQ-OAHLLOKOSA-N 1 0 344.455 2.574 20 10 EFCDRO O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@H+]2Cc1ccccc1O ZINC001272618441 1111753130 /nfs/dbraw/zinc/75/31/30/1111753130.db2.gz IATWWHMVJKKSBY-FQEVSTJZSA-N 1 0 337.423 2.554 20 10 EFCDRO CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@H+](Cc3ccccc3O)CC2)C1=O ZINC001272619743 1111755878 /nfs/dbraw/zinc/75/58/78/1111755878.db2.gz ZAZWOIRPLFRDGZ-QRWLVFNGSA-N 1 0 344.455 2.574 20 10 EFCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@]3(CC(=O)N(CC(C)C)C3=O)C2)c1 ZINC001272622453 1111759343 /nfs/dbraw/zinc/75/93/43/1111759343.db2.gz JZZBBFVVKBKSMR-HXUWFJFHSA-N 1 0 344.455 2.698 20 10 EFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCN(CC(F)(F)F)C3=O)C2)c1 ZINC001272622483 1111759525 /nfs/dbraw/zinc/75/95/25/1111759525.db2.gz LEXFBIXCYTVAIZ-MRXNPFEDSA-N 1 0 342.361 2.687 20 10 EFCDRO COC(C)(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(C)ccc2O)C1=O ZINC001272623303 1111760485 /nfs/dbraw/zinc/76/04/85/1111760485.db2.gz ZHZBLRLAIYGNSM-HXUWFJFHSA-N 1 0 346.471 2.693 20 10 EFCDRO COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C)ccc1O ZINC001272623127 1111761376 /nfs/dbraw/zinc/76/13/76/1111761376.db2.gz XLIGKWPDZJEVSO-IAGOWNOFSA-N 1 0 346.471 2.691 20 10 EFCDRO CC[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(OC)cc1O)CC2 ZINC001272625611 1111766022 /nfs/dbraw/zinc/76/60/22/1111766022.db2.gz MWCFSEWULKGQBD-YOEHRIQHSA-N 1 0 346.471 2.918 20 10 EFCDRO CCOCCC1(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001127384979 1111798127 /nfs/dbraw/zinc/79/81/27/1111798127.db2.gz DPWFXLZXEYHCHJ-UHFFFAOYSA-N 1 0 348.487 2.806 20 10 EFCDRO CC[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cc(OC)ccc1O)CC2 ZINC001272639338 1111799075 /nfs/dbraw/zinc/79/90/75/1111799075.db2.gz YYKXDNZHFVGMFZ-RHSMWYFYSA-N 1 0 346.471 2.918 20 10 EFCDRO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(O)c(C)c1O ZINC001272657570 1111931961 /nfs/dbraw/zinc/93/19/61/1111931961.db2.gz HQULBFNWQOLXFX-APHBMKBZSA-N 1 0 332.444 2.770 20 10 EFCDRO CC(C)=CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(O)c(C)c2O)C1=O ZINC001272657554 1111931966 /nfs/dbraw/zinc/93/19/66/1111931966.db2.gz GYPIZZLLQPAGLQ-FQEVSTJZSA-N 1 0 344.455 2.939 20 10 EFCDRO CC(C)=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(O)c(C)c1O ZINC001272657888 1111933937 /nfs/dbraw/zinc/93/39/37/1111933937.db2.gz PHLGKKKCWFOJTM-IAGOWNOFSA-N 1 0 344.455 2.938 20 10 EFCDRO CCCCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(O)c(C)c2O)C1=O ZINC001272659939 1111945972 /nfs/dbraw/zinc/94/59/72/1111945972.db2.gz HVOMVPSFQQGRPL-LJQANCHMSA-N 1 0 332.444 2.773 20 10 EFCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@]3(CCN(C4CCCC4)C3=O)C2)c1O ZINC001272660595 1111955354 /nfs/dbraw/zinc/95/53/54/1111955354.db2.gz UAJHFYJTDVMGKL-HXUWFJFHSA-N 1 0 344.455 2.773 20 10 EFCDRO COc1cccc(OCCN2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC000179581888 1112613944 /nfs/dbraw/zinc/61/39/44/1112613944.db2.gz MBSSFURTAYVDCV-UHFFFAOYSA-N 1 0 342.439 2.597 20 10 EFCDRO COc1cc(C[N@H+](C)[C@@H]2CCCOC2)c(O)cc1Br ZINC001236751628 1117903546 /nfs/dbraw/zinc/90/35/46/1117903546.db2.gz UWFOFKUFGZMCAI-LLVKDONJSA-N 1 0 330.222 2.774 20 10 EFCDRO C[C@H]1C[C@@H]1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1ccc(N(C)C)cc1 ZINC001272699298 1118278678 /nfs/dbraw/zinc/27/86/78/1118278678.db2.gz GBFANGJASQSWBZ-JQERWDHBSA-N 1 0 341.499 2.974 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NC)CC2)c(O)c1 ZINC001272705464 1118711813 /nfs/dbraw/zinc/71/18/13/1118711813.db2.gz AABZGRIPZYRLFT-KRWDZBQOSA-N 1 0 345.487 2.587 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3c(Cl)cnn3C)CC2)cc1 ZINC000131082493 1119143471 /nfs/dbraw/zinc/14/34/71/1119143471.db2.gz AGKMRSDHJSVNCU-UHFFFAOYSA-N 1 0 334.851 2.841 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(-c3cnn(C)c3C)no2)c1 ZINC000184723901 1119408061 /nfs/dbraw/zinc/40/80/61/1119408061.db2.gz RNJSZIFYFFSHFB-NSHDSACASA-N 1 0 342.399 2.949 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NCC2(C[NH+](C)C)CCCC2)cc1 ZINC000185388978 1120122974 /nfs/dbraw/zinc/12/29/74/1120122974.db2.gz OCULZBBSYDPYLA-UHFFFAOYSA-N 1 0 332.492 2.674 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC000945227314 1120685362 /nfs/dbraw/zinc/68/53/62/1120685362.db2.gz XYHGHZFZFXMQQO-CJNGLKHVSA-N 1 0 345.447 2.945 20 10 EFCDRO COCC(=O)Nc1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921501149 1120685932 /nfs/dbraw/zinc/68/59/32/1120685932.db2.gz JDICINFFVPGWSM-UHFFFAOYSA-N 1 0 340.423 2.886 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1F ZINC000176037198 529781909 /nfs/dbraw/zinc/78/19/09/529781909.db2.gz VUMNWMOZNPKNPQ-CABCVRRESA-N 1 0 336.455 2.564 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1F ZINC000176037213 529781911 /nfs/dbraw/zinc/78/19/11/529781911.db2.gz VUMNWMOZNPKNPQ-GJZGRUSLSA-N 1 0 336.455 2.564 20 10 EFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CC1(C[NH3+])CCCCC1 ZINC000184243943 529785922 /nfs/dbraw/zinc/78/59/22/529785922.db2.gz FYRXREDFZSUPKI-UHFFFAOYSA-N 1 0 331.460 2.777 20 10 EFCDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000172135995 529948308 /nfs/dbraw/zinc/94/83/08/529948308.db2.gz PHRAMLVWUZCKCX-GOSISDBHSA-N 1 0 344.503 2.770 20 10 EFCDRO CN1CCCc2cc(CNC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)ccc21 ZINC000166476912 530065726 /nfs/dbraw/zinc/06/57/26/530065726.db2.gz NJFYODTXKHBNJA-ZNXRZULTSA-N 1 0 327.472 2.606 20 10 EFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C(=O)NCCF)c1O ZINC000281931246 301070616 /nfs/dbraw/zinc/07/06/16/301070616.db2.gz BACHLFLLRBCFKM-NXEZZACHSA-N 1 0 347.228 2.588 20 10 EFCDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185672961 239609946 /nfs/dbraw/zinc/60/99/46/239609946.db2.gz CVYSVSYSTVMFTB-NTZNESFSSA-N 1 0 344.249 2.999 20 10 EFCDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000190435379 239917263 /nfs/dbraw/zinc/91/72/63/239917263.db2.gz NLBHAXRIPCVTDB-RDJZCZTQSA-N 1 0 331.416 2.627 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1 ZINC000191678505 240000644 /nfs/dbraw/zinc/00/06/44/240000644.db2.gz QODBOEQOPUDVFI-UHFFFAOYSA-N 1 0 332.375 2.978 20 10 EFCDRO C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192842771 240067310 /nfs/dbraw/zinc/06/73/10/240067310.db2.gz NMTLXAGDTDNWKK-VXGBXAGGSA-N 1 0 346.302 2.986 20 10 EFCDRO CC1CC[NH+](C2CCC(NC(=O)c3cccc(O)c3O)CC2)CC1 ZINC000193146670 240088074 /nfs/dbraw/zinc/08/80/74/240088074.db2.gz XQWPTJPXIFNDKK-UHFFFAOYSA-N 1 0 332.444 2.871 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)CC[C@H](C)[NH3+] ZINC000193284933 240093288 /nfs/dbraw/zinc/09/32/88/240093288.db2.gz QIHVVECRGJCDIW-JTQLQIEISA-N 1 0 329.238 2.631 20 10 EFCDRO C[C@@H]([NH3+])CCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000193321002 240095110 /nfs/dbraw/zinc/09/51/10/240095110.db2.gz GUKKSBGBYUDQIM-OLZOCXBDSA-N 1 0 341.402 2.500 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCNC(=O)c2ccc(C)cc2)c1 ZINC000193911896 240130630 /nfs/dbraw/zinc/13/06/30/240130630.db2.gz OFQRCIHMWHKNMG-AWEZNQCLSA-N 1 0 328.412 2.790 20 10 EFCDRO Cc1cc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c(C)n1-c1ccccn1 ZINC000237442104 240244524 /nfs/dbraw/zinc/24/45/24/240244524.db2.gz HQYDAFSXEHZBOZ-YOEHRIQHSA-N 1 0 326.444 2.831 20 10 EFCDRO Nc1ccc(CC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000237904418 240248583 /nfs/dbraw/zinc/24/85/83/240248583.db2.gz AANFNOGGOFRYRO-HXUWFJFHSA-N 1 0 337.467 2.982 20 10 EFCDRO CC[NH+](CC)Cc1ccccc1CNC(=O)Cc1ccc(N)cc1 ZINC000236907194 240237001 /nfs/dbraw/zinc/23/70/01/240237001.db2.gz DISVBZHAXRJCRH-UHFFFAOYSA-N 1 0 325.456 2.970 20 10 EFCDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000246358521 240268023 /nfs/dbraw/zinc/26/80/23/240268023.db2.gz PULXXVFDERQMIE-QFBILLFUSA-N 1 0 342.487 2.544 20 10 EFCDRO Oc1ccccc1C[N@H+](C[C@H](O)Cc1ccccc1)C[C@H]1CCCO1 ZINC000247591349 240282502 /nfs/dbraw/zinc/28/25/02/240282502.db2.gz NIHWEDKGRSLJJJ-WOJBJXKFSA-N 1 0 341.451 2.977 20 10 EFCDRO CC[NH+](CC)CCSCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000266121949 240473614 /nfs/dbraw/zinc/47/36/14/240473614.db2.gz IIGNIXMEYIJQML-UHFFFAOYSA-N 1 0 349.544 2.978 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c1 ZINC000273594139 240708518 /nfs/dbraw/zinc/70/85/18/240708518.db2.gz QASZGOHLSWNXTF-OAHLLOKOSA-N 1 0 334.460 2.696 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276644249 240770467 /nfs/dbraw/zinc/77/04/67/240770467.db2.gz PAOIQYGOPXUPLC-UHFFFAOYSA-N 1 0 349.478 2.905 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c1 ZINC000277202038 240775418 /nfs/dbraw/zinc/77/54/18/240775418.db2.gz VTSVTOQNWCBENZ-ZDUSSCGKSA-N 1 0 328.416 2.510 20 10 EFCDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)c(OC[C@@H]2CCOC2)cn1 ZINC000288468888 241014431 /nfs/dbraw/zinc/01/44/31/241014431.db2.gz ORKNQMQGPXZGPH-MRXNPFEDSA-N 1 0 340.423 2.722 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1OC ZINC000290913861 241024696 /nfs/dbraw/zinc/02/46/96/241024696.db2.gz NHKBCNCTLBJNOL-QAPCUYQASA-N 1 0 333.428 2.943 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000294119599 241034420 /nfs/dbraw/zinc/03/44/20/241034420.db2.gz DYLJTVWXJNXELW-UHFFFAOYSA-N 1 0 345.447 2.594 20 10 EFCDRO CS(=O)(=O)Nc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000295944952 241069818 /nfs/dbraw/zinc/06/98/18/241069818.db2.gz LDOLVNRMOTUUKD-OAHLLOKOSA-N 1 0 332.425 2.541 20 10 EFCDRO CC[C@H]([NH2+]CC1(OCCOC)CCOCC1)c1ccc(C)cc1O ZINC000296546234 241089925 /nfs/dbraw/zinc/08/99/25/241089925.db2.gz REVSSAZAUIVYBT-KRWDZBQOSA-N 1 0 337.460 2.954 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1 ZINC000296631348 241092343 /nfs/dbraw/zinc/09/23/43/241092343.db2.gz BJEYDVFSDFGYBA-NFOMZHRRSA-N 1 0 325.474 2.955 20 10 EFCDRO C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[N@@H+](C2CC2)C1 ZINC000297353249 241121041 /nfs/dbraw/zinc/12/10/41/241121041.db2.gz UUUUFSFUVPJDAW-AWEZNQCLSA-N 1 0 348.466 2.517 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000296957089 241106697 /nfs/dbraw/zinc/10/66/97/241106697.db2.gz HSKOGJRGHNFZJX-JLYLLQBASA-N 1 0 344.503 2.957 20 10 EFCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@]1(O)CCOC1 ZINC000294695877 241050171 /nfs/dbraw/zinc/05/01/71/241050171.db2.gz ITSNWSHKMHDNAW-UYAOXDASSA-N 1 0 327.424 2.807 20 10 EFCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@]1(O)CCOC1 ZINC000294695857 241050474 /nfs/dbraw/zinc/05/04/74/241050474.db2.gz ITSNWSHKMHDNAW-ICSRJNTNSA-N 1 0 327.424 2.807 20 10 EFCDRO O=S(=O)(CC[NH2+][C@H]1CCc2cccc(O)c21)Cc1ccccc1 ZINC000295853479 241064541 /nfs/dbraw/zinc/06/45/41/241064541.db2.gz GEDLCPFZIUYTBR-INIZCTEOSA-N 1 0 331.437 2.584 20 10 EFCDRO CN(C)c1ccc(C[N@H+](CC(=O)NCc2ccco2)C2CC2)cc1 ZINC000298700416 241156472 /nfs/dbraw/zinc/15/64/72/241156472.db2.gz HLIATHXAPNFYMI-UHFFFAOYSA-N 1 0 327.428 2.626 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000299352976 241175205 /nfs/dbraw/zinc/17/52/05/241175205.db2.gz CUFFJBRWJZAJOI-SFHVURJKSA-N 1 0 330.476 2.522 20 10 EFCDRO O=C(NCc1ccccc1O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000299471380 241179780 /nfs/dbraw/zinc/17/97/80/241179780.db2.gz GOGQODHUGOHZOB-UHFFFAOYSA-N 1 0 339.439 2.856 20 10 EFCDRO C[N@H+](CCCNC(=O)NCc1ccccc1O)Cc1ccccc1 ZINC000299558834 241180979 /nfs/dbraw/zinc/18/09/79/241180979.db2.gz ZGKUXPHZCOGCPP-UHFFFAOYSA-N 1 0 327.428 2.714 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNc3cc(C)nc(C)n3)cc2F)CC1 ZINC000301200764 241185545 /nfs/dbraw/zinc/18/55/45/241185545.db2.gz QBRYVFUMBRULBO-UHFFFAOYSA-N 1 0 343.450 2.987 20 10 EFCDRO COc1ccc(O)c([C@H](C)Nc2nc(C(C)C)nc(N(C)C)n2)c1 ZINC000302012793 241192898 /nfs/dbraw/zinc/19/28/98/241192898.db2.gz XAIKSNXMKNSJRB-NSHDSACASA-N 1 0 331.420 2.948 20 10 EFCDRO Oc1cccc2c1[C@H]([NH2+]CCCc1nnc3n1CCCCC3)CC2 ZINC000297710033 241131406 /nfs/dbraw/zinc/13/14/06/241131406.db2.gz MROSZAOXXUWKRL-OAHLLOKOSA-N 1 0 326.444 2.920 20 10 EFCDRO Cc1cccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)c1O ZINC000362042070 242240384 /nfs/dbraw/zinc/24/03/84/242240384.db2.gz SYZGMLOCHJASPA-QRVBRYPASA-N 1 0 336.435 2.947 20 10 EFCDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)CF)C1 ZINC000360607868 242203486 /nfs/dbraw/zinc/20/34/86/242203486.db2.gz PSNKPOPBIGRTQL-AWEZNQCLSA-N 1 0 331.435 2.882 20 10 EFCDRO CC(C)OCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000363713146 242280193 /nfs/dbraw/zinc/28/01/93/242280193.db2.gz DMYVREZMABTQMK-HNNXBMFYSA-N 1 0 340.851 2.551 20 10 EFCDRO COC[C@]1(C[NH2+]Cc2cc(F)ccc2O)OCCc2ccccc21 ZINC000365659418 242330623 /nfs/dbraw/zinc/33/06/23/242330623.db2.gz MSKUGIWDTKSSIS-IBGZPJMESA-N 1 0 331.387 2.736 20 10 EFCDRO OCCOCCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000367254022 242376224 /nfs/dbraw/zinc/37/62/24/242376224.db2.gz VGYPCRYPRDWUIU-UHFFFAOYSA-N 1 0 340.467 2.738 20 10 EFCDRO COC[C@H](CCO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000367225647 242377076 /nfs/dbraw/zinc/37/70/76/242377076.db2.gz UPQHXLSHYXWJFP-FQEVSTJZSA-N 1 0 340.467 2.736 20 10 EFCDRO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1[C@H]1CCCO1 ZINC000367940015 242397230 /nfs/dbraw/zinc/39/72/30/242397230.db2.gz BJOPYJWCIVZKDK-MOPGFXCFSA-N 1 0 330.472 2.913 20 10 EFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(CF)C2)C1 ZINC000412520801 243349151 /nfs/dbraw/zinc/34/91/51/243349151.db2.gz QINAUNLDNOHLFN-UHFFFAOYSA-N 1 0 343.446 2.836 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425738503 247178615 /nfs/dbraw/zinc/17/86/15/247178615.db2.gz FMMTZMNFNWHFEE-HNAYVOBHSA-N 1 0 340.471 2.722 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)COc2ccccc2)[NH+](C)C)cc1 ZINC000005097671 210390413 /nfs/dbraw/zinc/39/04/13/210390413.db2.gz SLGGTDDRUQEIQR-LJQANCHMSA-N 1 0 341.455 2.551 20 10 EFCDRO COCCC[N@H+](Cc1ccncc1)Cc1cc(OC)c(OC)cc1O ZINC000160159404 533285029 /nfs/dbraw/zinc/28/50/29/533285029.db2.gz HMSRRKJGSDHLPE-UHFFFAOYSA-N 1 0 346.427 2.843 20 10 EFCDRO C[C@@H]([NH2+]CCCc1cnn(C)c1)c1ccc(N2CCOCC2)cc1 ZINC000158204725 533390655 /nfs/dbraw/zinc/39/06/55/533390655.db2.gz UXAACYKAUWVAEM-MRXNPFEDSA-N 1 0 328.460 2.540 20 10 EFCDRO COc1cccc(CNC(=O)NCCC[N@H+](C)C2CCCCC2)c1O ZINC000173850580 533497082 /nfs/dbraw/zinc/49/70/82/533497082.db2.gz JLYKJPGCTXHOQY-UHFFFAOYSA-N 1 0 349.475 2.855 20 10 EFCDRO COc1cc([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1OC ZINC000286457489 286248652 /nfs/dbraw/zinc/24/86/52/286248652.db2.gz UQVQZILQUJCSSJ-STQMWFEESA-N 1 0 335.404 2.675 20 10 EFCDRO Cc1ccc(NC(=O)NC(=O)C[N@@H+](C)Cc2ccccc2O)c(C)c1 ZINC000109770984 544566952 /nfs/dbraw/zinc/56/69/52/544566952.db2.gz ARNOIHCEMZNOEI-UHFFFAOYSA-N 1 0 341.411 2.789 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000179559886 274114818 /nfs/dbraw/zinc/11/48/18/274114818.db2.gz UIMMMTQHNAWNAA-UHFFFAOYSA-N 1 0 343.383 2.631 20 10 EFCDRO O=C(c1ccoc1)N1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000296004250 275014750 /nfs/dbraw/zinc/01/47/50/275014750.db2.gz OOARYBSIUMELAV-MRXNPFEDSA-N 1 0 326.396 2.867 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)cc1 ZINC000370085346 276120827 /nfs/dbraw/zinc/12/08/27/276120827.db2.gz UZNSDCLFPGYUNK-UHFFFAOYSA-N 1 0 329.488 2.977 20 10 EFCDRO C[C@H](CN1CCCC1=O)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185110356 298555511 /nfs/dbraw/zinc/55/55/11/298555511.db2.gz NLOHBYCVKOUSDY-GHMZBOCLSA-N 1 0 341.249 2.816 20 10 EFCDRO C[C@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])N1CC[NH+](C)CC1 ZINC000192832417 298778803 /nfs/dbraw/zinc/77/88/03/298778803.db2.gz GSBKAHDGTPWICJ-NEPJUHHUSA-N 1 0 346.302 2.986 20 10 EFCDRO Cc1cc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)ccc1N(C)C ZINC000295677255 301276660 /nfs/dbraw/zinc/27/66/60/301276660.db2.gz RQIYZRSWAZYMGT-ZWKOTPCHSA-N 1 0 337.467 2.842 20 10 EFCDRO COc1cccc(C[NH2+]Cc2csc(-c3cnn(C)c3)n2)c1O ZINC000529568640 316918780 /nfs/dbraw/zinc/91/87/80/316918780.db2.gz UYAKMVUYIYQEKT-UHFFFAOYSA-N 1 0 330.413 2.548 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@H](C)C(=O)NCc2ccco2)c(O)c1 ZINC000111399473 473210553 /nfs/dbraw/zinc/21/05/53/473210553.db2.gz CENSXWDVIJBYPT-CYBMUJFWSA-N 1 0 332.400 2.569 20 10 EFCDRO CCOc1cccc(C[NH2+]CC2(N3CCCCC3)CCOCC2)c1O ZINC000111403731 473211036 /nfs/dbraw/zinc/21/10/36/473211036.db2.gz NDFJHVKUTZTQBX-UHFFFAOYSA-N 1 0 348.487 2.916 20 10 EFCDRO CC(C)[NH2+]C1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000111845243 473231176 /nfs/dbraw/zinc/23/11/76/473231176.db2.gz ALGMRZMMRABHEN-UHFFFAOYSA-N 1 0 336.455 2.564 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000139438699 473231903 /nfs/dbraw/zinc/23/19/03/473231903.db2.gz XXRKYQKSEJYPJV-LJQANCHMSA-N 1 0 344.503 2.913 20 10 EFCDRO Cc1cc(O)c(C[N@H+](C)CCN2C(=O)c3ccccc3C2=O)cc1C ZINC000095973669 473236209 /nfs/dbraw/zinc/23/62/09/473236209.db2.gz KYFHLMDJKDDCLA-UHFFFAOYSA-N 1 0 338.407 2.737 20 10 EFCDRO COCC[NH+](CCOC)Cc1cc(Br)cc(C)c1O ZINC000124508586 473253825 /nfs/dbraw/zinc/25/38/25/473253825.db2.gz GMXNWEZZKBMBQJ-UHFFFAOYSA-N 1 0 332.238 2.558 20 10 EFCDRO C[C@H]([NH2+]CCCN1CCC(O)CC1)c1cc2c(cc1O)CCCC2 ZINC000185116284 473333289 /nfs/dbraw/zinc/33/32/89/473333289.db2.gz NXLDKQILWABFAN-HNNXBMFYSA-N 1 0 332.488 2.768 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1 ZINC000185140600 473340115 /nfs/dbraw/zinc/34/01/15/473340115.db2.gz HIADCLPWKMNVJM-QAPCUYQASA-N 1 0 336.501 2.559 20 10 EFCDRO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1cc(Br)ccc1O ZINC000185193720 473357563 /nfs/dbraw/zinc/35/75/63/473357563.db2.gz VZVQCAWOUCYXKQ-SNVBAGLBSA-N 1 0 329.238 2.674 20 10 EFCDRO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccc(Br)cc1O ZINC000185194487 473357646 /nfs/dbraw/zinc/35/76/46/473357646.db2.gz JODLMPBXVRQXAB-SNVBAGLBSA-N 1 0 329.238 2.674 20 10 EFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000185194887 473358785 /nfs/dbraw/zinc/35/87/85/473358785.db2.gz HMOGHLXUEYVDAK-OAHLLOKOSA-N 1 0 348.468 2.638 20 10 EFCDRO COc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000185201533 473361158 /nfs/dbraw/zinc/36/11/58/473361158.db2.gz QMKAFEMCHWEVNJ-CQSZACIVSA-N 1 0 328.412 2.790 20 10 EFCDRO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000185201154 473361649 /nfs/dbraw/zinc/36/16/49/473361649.db2.gz CYAPOGZSSUDVQP-AWEZNQCLSA-N 1 0 328.412 2.790 20 10 EFCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000113337832 473385918 /nfs/dbraw/zinc/38/59/18/473385918.db2.gz ZBEMNLSDBGYKLV-SNVBAGLBSA-N 1 0 343.757 2.853 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)c(O)c1 ZINC000185303835 473389478 /nfs/dbraw/zinc/38/94/78/473389478.db2.gz LQOASKOOYDNTIT-CQSZACIVSA-N 1 0 328.412 2.877 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+]C3CCSCC3)CC2)cc1 ZINC000006651329 471557188 /nfs/dbraw/zinc/55/71/88/471557188.db2.gz OCBRKDRLKFWCQN-UHFFFAOYSA-N 1 0 349.544 2.693 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000054764127 472114233 /nfs/dbraw/zinc/11/42/33/472114233.db2.gz MXAMXCYUDZXHBV-UHFFFAOYSA-N 1 0 327.428 2.666 20 10 EFCDRO CCCNC(=O)C[N@H+](CC)Cc1cc(Br)ccc1O ZINC000076118600 472277381 /nfs/dbraw/zinc/27/73/81/472277381.db2.gz GRUSCENFROTGDR-UHFFFAOYSA-N 1 0 329.238 2.503 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)C(C)C)cc2F)CC1 ZINC000086395008 472283135 /nfs/dbraw/zinc/28/31/35/472283135.db2.gz CQLCLPINCLWVQI-UHFFFAOYSA-N 1 0 336.455 2.517 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000031730616 472391111 /nfs/dbraw/zinc/39/11/11/472391111.db2.gz YBQUGCPZKCQSHS-KRWDZBQOSA-N 1 0 346.500 2.916 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000045410505 472405742 /nfs/dbraw/zinc/40/57/42/472405742.db2.gz ONANWRBMETXFRS-UHFFFAOYSA-N 1 0 330.476 2.521 20 10 EFCDRO CC(C)[N@@H+]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000069821699 472443640 /nfs/dbraw/zinc/44/36/40/472443640.db2.gz ZDRFLEHTAIEOBZ-UHFFFAOYSA-N 1 0 344.503 2.695 20 10 EFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000089619907 472470508 /nfs/dbraw/zinc/47/05/08/472470508.db2.gz XYPITAUUWSUIQB-IUODEOHRSA-N 1 0 343.393 2.957 20 10 EFCDRO CCOc1cccc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)c1O ZINC000154938980 472489070 /nfs/dbraw/zinc/48/90/70/472489070.db2.gz ULFXWHKHUFTTCV-MRXNPFEDSA-N 1 0 349.452 2.666 20 10 EFCDRO Cc1cc(O)c(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)cc1C ZINC000154982879 472493419 /nfs/dbraw/zinc/49/34/19/472493419.db2.gz YIPVDHITCZKFSM-KRWDZBQOSA-N 1 0 333.453 2.885 20 10 EFCDRO COC(=O)c1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000070976715 472530422 /nfs/dbraw/zinc/53/04/22/472530422.db2.gz QDQLXPIXWNROFW-HNNXBMFYSA-N 1 0 345.395 2.953 20 10 EFCDRO Cc1cccc(S(=O)(=O)CCCN(C)Cc2ccccc2O)c1 ZINC000155553712 472567118 /nfs/dbraw/zinc/56/71/18/472567118.db2.gz XNALMRBXUMXNHN-UHFFFAOYSA-N 1 0 333.453 2.996 20 10 EFCDRO C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000119663628 472574393 /nfs/dbraw/zinc/57/43/93/472574393.db2.gz CRDNTJMRBNVPAP-OAHLLOKOSA-N 1 0 347.478 2.940 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000077781563 472611554 /nfs/dbraw/zinc/61/15/54/472611554.db2.gz PQBXDIHXMVIZDJ-LJQANCHMSA-N 1 0 344.503 2.913 20 10 EFCDRO CCN(C)C(=O)CC[N@H+](CC)Cc1cc(Br)ccc1O ZINC000130570473 472615176 /nfs/dbraw/zinc/61/51/76/472615176.db2.gz CPOJUKGLEXIUOD-UHFFFAOYSA-N 1 0 343.265 2.845 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000130716853 472624208 /nfs/dbraw/zinc/62/42/08/472624208.db2.gz HHBTYRNMNCCZNF-HOCLYGCPSA-N 1 0 331.460 2.939 20 10 EFCDRO Cc1cc(Br)cc(C[N@@H+](C)[C@H](C)C[S@](C)=O)c1O ZINC000130907402 472634660 /nfs/dbraw/zinc/63/46/60/472634660.db2.gz XEQZCMOFEFGVLG-MLCYQJTMSA-N 1 0 334.279 2.662 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000090591772 472640091 /nfs/dbraw/zinc/64/00/91/472640091.db2.gz SUCLGHOFWAJXOE-SWLSCSKDSA-N 1 0 343.393 2.957 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000131969825 472706735 /nfs/dbraw/zinc/70/67/35/472706735.db2.gz XLIHVVIOIFUIBA-UTKZUKDTSA-N 1 0 340.467 2.777 20 10 EFCDRO CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000156559702 472723983 /nfs/dbraw/zinc/72/39/83/472723983.db2.gz GPVFUDSWQMZUIR-DOTOQJQBSA-N 1 0 335.467 2.797 20 10 EFCDRO CCOC(=O)CCCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000132402106 472732970 /nfs/dbraw/zinc/73/29/70/472732970.db2.gz DFDBKMUQEWKCAS-UHFFFAOYSA-N 1 0 334.460 2.688 20 10 EFCDRO CCOc1cccc(C[N@H+](CCO)Cc2ccccc2OC)c1O ZINC000091790408 472808440 /nfs/dbraw/zinc/80/84/40/472808440.db2.gz RGSIJPTVODONJW-UHFFFAOYSA-N 1 0 331.412 2.794 20 10 EFCDRO Cc1noc([C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000091832625 472813652 /nfs/dbraw/zinc/81/36/52/472813652.db2.gz XXLDYASKMYPRQV-KRWDZBQOSA-N 1 0 342.443 2.594 20 10 EFCDRO CCC[C@@H](C(=O)OCC)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000133695055 472831179 /nfs/dbraw/zinc/83/11/79/472831179.db2.gz ODQDZHUIBPOIHS-SFHVURJKSA-N 1 0 334.460 2.687 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000079267257 472840346 /nfs/dbraw/zinc/84/03/46/472840346.db2.gz WEJOIMGNWQYSMP-HNNXBMFYSA-N 1 0 333.457 2.898 20 10 EFCDRO O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000073717251 472859623 /nfs/dbraw/zinc/85/96/23/472859623.db2.gz SEMPKNKGZORCNY-CQSZACIVSA-N 1 0 343.471 2.555 20 10 EFCDRO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092188367 472871192 /nfs/dbraw/zinc/87/11/92/472871192.db2.gz PEQAAMNPDYDJJF-LJQANCHMSA-N 1 0 342.487 2.667 20 10 EFCDRO c1cc(N2CCOCC2)ccc1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000092218874 472878488 /nfs/dbraw/zinc/87/84/88/472878488.db2.gz OXLBPCKPXVHNBX-NRFANRHFSA-N 1 0 343.515 2.974 20 10 EFCDRO CCO[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158038713 472886354 /nfs/dbraw/zinc/88/63/54/472886354.db2.gz JLLISBMWBXKGOZ-SWLSCSKDSA-N 1 0 340.851 2.551 20 10 EFCDRO COCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134263559 472889829 /nfs/dbraw/zinc/88/98/29/472889829.db2.gz DKOSFPMYZXFYPI-OAHLLOKOSA-N 1 0 340.851 2.553 20 10 EFCDRO CS[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158084062 472890886 /nfs/dbraw/zinc/89/08/86/472890886.db2.gz GPYIDBBEVIEBAJ-SMDDNHRTSA-N 1 0 342.892 2.878 20 10 EFCDRO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)n1-c1ccccn1 ZINC000073987333 472917677 /nfs/dbraw/zinc/91/76/77/472917677.db2.gz YENSCEHMIDQINK-SJORKVTESA-N 1 0 338.455 2.798 20 10 EFCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@H](O)COCc2ccccc2)c1 ZINC000092472570 472919758 /nfs/dbraw/zinc/91/97/58/472919758.db2.gz ISBCPXIHTHVDIR-SFHVURJKSA-N 1 0 345.439 2.800 20 10 EFCDRO C[NH+]1CCC(CCNC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000074086432 472937609 /nfs/dbraw/zinc/93/76/09/472937609.db2.gz VVAQPNUMCZGODH-UHFFFAOYSA-N 1 0 345.487 2.802 20 10 EFCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1C ZINC000092585517 472940978 /nfs/dbraw/zinc/94/09/78/472940978.db2.gz KWZOMPJAONKMPM-AWEZNQCLSA-N 1 0 348.468 2.849 20 10 EFCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000066125326 473047783 /nfs/dbraw/zinc/04/77/83/473047783.db2.gz JIXRTXACRBPMGA-CQSZACIVSA-N 1 0 328.460 2.949 20 10 EFCDRO C[C@@H]1CN(c2ccc(CNC(=[NH2+])NC3CCCC3)cc2F)C[C@H](C)O1 ZINC000066243631 473063098 /nfs/dbraw/zinc/06/30/98/473063098.db2.gz JIJMJQRWRQSEES-OKILXGFUSA-N 1 0 348.466 2.996 20 10 EFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)c1ccc(F)cc1 ZINC000066350629 473079641 /nfs/dbraw/zinc/07/96/41/473079641.db2.gz OYLUYOTUFNQXBP-FQEVSTJZSA-N 1 0 344.430 2.828 20 10 EFCDRO COc1cc(O)c(CN2CCC[C@H]2C[NH+]2CCCCC2)cc1OC ZINC000160233996 473099624 /nfs/dbraw/zinc/09/96/24/473099624.db2.gz SKEKCJQROODZOC-INIZCTEOSA-N 1 0 334.460 2.860 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H]3C[C@H](C)N(C4CC4)C3)CC2)cc1 ZINC000123154762 473104177 /nfs/dbraw/zinc/10/41/77/473104177.db2.gz NTMDEVQECPYJCV-RDJZCZTQSA-N 1 0 329.488 2.879 20 10 EFCDRO CCOc1cccc(C[N@H+](C)[C@@H](CO)c2ccc(OC)cc2)c1O ZINC000093415492 473104452 /nfs/dbraw/zinc/10/44/52/473104452.db2.gz HWPHOEZUNVPAIZ-KRWDZBQOSA-N 1 0 331.412 2.965 20 10 EFCDRO COc1cccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1O ZINC000160432565 473124212 /nfs/dbraw/zinc/12/42/12/473124212.db2.gz ZRJHDFAWIDLSFZ-UHFFFAOYSA-N 1 0 343.383 2.631 20 10 EFCDRO CCCOc1ccc(C[NH+]2CCC3(CC2)[C@H](O)C[C@H]3OCC)c(O)c1 ZINC000093614095 473125762 /nfs/dbraw/zinc/12/57/62/473125762.db2.gz GWFMTDQIGWKVBV-RTBURBONSA-N 1 0 349.471 2.933 20 10 EFCDRO COCCOC[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000093754000 473138104 /nfs/dbraw/zinc/13/81/04/473138104.db2.gz OIEZFABBDPHOIB-LBPRGKRZSA-N 1 0 344.249 2.640 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC(N3CCCCC3=O)CC2)c1O ZINC000093741588 473138589 /nfs/dbraw/zinc/13/85/89/473138589.db2.gz PIQOLMGEJQQPST-UHFFFAOYSA-N 1 0 332.444 2.768 20 10 EFCDRO COc1ncccc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000151134850 473413590 /nfs/dbraw/zinc/41/35/90/473413590.db2.gz HLDYWWCHCNCQJY-HNNXBMFYSA-N 1 0 327.428 2.778 20 10 EFCDRO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151207620 473426284 /nfs/dbraw/zinc/42/62/84/473426284.db2.gz KQTVVQDNZYRCHK-ZDUSSCGKSA-N 1 0 346.450 2.863 20 10 EFCDRO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151207684 473426298 /nfs/dbraw/zinc/42/62/98/473426298.db2.gz KQTVVQDNZYRCHK-CYBMUJFWSA-N 1 0 346.450 2.863 20 10 EFCDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000185487647 473440139 /nfs/dbraw/zinc/44/01/39/473440139.db2.gz ANKPXDAFYUNUKQ-ADLMAVQZSA-N 1 0 335.375 2.933 20 10 EFCDRO COCCCN(C)CC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185554138 473455336 /nfs/dbraw/zinc/45/53/36/473455336.db2.gz ZIGRFVPPOUDPDN-GFCCVEGCSA-N 1 0 345.281 2.774 20 10 EFCDRO CCOCc1cc(C[NH2+][C@@H]2CCN(C(=O)OCC)C2)ccc1OC ZINC000185771077 473509513 /nfs/dbraw/zinc/50/95/13/473509513.db2.gz IBLYMZYLRQNADA-MRXNPFEDSA-N 1 0 336.432 2.552 20 10 EFCDRO CCOCc1cc(C[NH2+][C@H]2CCN(C(=O)OCC)C2)ccc1OC ZINC000185771100 473509541 /nfs/dbraw/zinc/50/95/41/473509541.db2.gz IBLYMZYLRQNADA-INIZCTEOSA-N 1 0 336.432 2.552 20 10 EFCDRO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(N(C)C)cc1 ZINC000126584132 473528632 /nfs/dbraw/zinc/52/86/32/473528632.db2.gz DMOISKWSRJEHKZ-HNNXBMFYSA-N 1 0 327.476 2.964 20 10 EFCDRO COc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000185953296 473557416 /nfs/dbraw/zinc/55/74/16/473557416.db2.gz HKNBVLCPXOHOPN-CQSZACIVSA-N 1 0 328.412 2.790 20 10 EFCDRO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000185970907 473561694 /nfs/dbraw/zinc/56/16/94/473561694.db2.gz OGFDVXGRABUDFR-CYBMUJFWSA-N 1 0 336.457 2.524 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]C2(CC(=O)OC)CCOCC2)cc1 ZINC000152533970 473573640 /nfs/dbraw/zinc/57/36/40/473573640.db2.gz YANHOGWPOPXFQA-UHFFFAOYSA-N 1 0 334.460 2.735 20 10 EFCDRO CC(C)N1CC[C@@H]([NH2+][C@H](C)c2cc(Br)ccc2O)C1=O ZINC000186047645 473577925 /nfs/dbraw/zinc/57/79/25/473577925.db2.gz VIOOWEILJQOGKE-ZWNOBZJWSA-N 1 0 341.249 2.815 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cc(Br)ccc1O ZINC000186088054 473588566 /nfs/dbraw/zinc/58/85/66/473588566.db2.gz OJKZNLCFNYBYLP-KOLCDFICSA-N 1 0 339.233 2.569 20 10 EFCDRO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1=O ZINC000186102342 473591404 /nfs/dbraw/zinc/59/14/04/473591404.db2.gz VDUCJHXEGKRMFF-DOMZBBRYSA-N 1 0 344.386 2.996 20 10 EFCDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000179003205 473609273 /nfs/dbraw/zinc/60/92/73/473609273.db2.gz IMAPAABSMOPJRU-HNNXBMFYSA-N 1 0 329.419 2.915 20 10 EFCDRO C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000153207173 473614137 /nfs/dbraw/zinc/61/41/37/473614137.db2.gz INHXXAWACOFSHD-INIZCTEOSA-N 1 0 345.487 2.610 20 10 EFCDRO O=C1C[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)CN1Cc1ccccc1 ZINC000179054452 473619882 /nfs/dbraw/zinc/61/98/82/473619882.db2.gz YKXSEPGWQYMNQR-GOSISDBHSA-N 1 0 336.435 2.760 20 10 EFCDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000179151299 473639918 /nfs/dbraw/zinc/63/99/18/473639918.db2.gz UNDWBNWIXQGZAT-CYBMUJFWSA-N 1 0 325.792 2.776 20 10 EFCDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000186353744 473657858 /nfs/dbraw/zinc/65/78/58/473657858.db2.gz PWOQCVXTCCIAAN-JTQLQIEISA-N 1 0 343.265 2.968 20 10 EFCDRO C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc2c(cc1O)CCCC2 ZINC000186375533 473663240 /nfs/dbraw/zinc/66/32/40/473663240.db2.gz UBZZCGYUKZJZNG-WMLDXEAASA-N 1 0 347.455 2.844 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc2c(cc1O)CCCC2 ZINC000186375549 473663471 /nfs/dbraw/zinc/66/34/71/473663471.db2.gz UBZZCGYUKZJZNG-RHSMWYFYSA-N 1 0 347.455 2.844 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000179642445 473702603 /nfs/dbraw/zinc/70/26/03/473702603.db2.gz OCRBPDBUTGBSRE-UHFFFAOYSA-N 1 0 340.423 2.795 20 10 EFCDRO Cc1cc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c(C)n1-c1ccccn1 ZINC000269174386 473718742 /nfs/dbraw/zinc/71/87/42/473718742.db2.gz GOJILUFPQZAVPU-GDBMZVCRSA-N 1 0 326.444 2.607 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c1 ZINC000179782197 473726696 /nfs/dbraw/zinc/72/66/96/473726696.db2.gz WHXUTHUIVFVDJF-UHFFFAOYSA-N 1 0 332.444 2.625 20 10 EFCDRO C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000287685186 473734100 /nfs/dbraw/zinc/73/41/00/473734100.db2.gz WKDDUOUOIMEOCR-VYDXJSESSA-N 1 0 336.451 2.986 20 10 EFCDRO Cc1cccc(C[NH+]2CCN(CCCOCC(F)(F)F)CC2)c1O ZINC000179858114 473743978 /nfs/dbraw/zinc/74/39/78/473743978.db2.gz SOQUHQUAWIRXMN-UHFFFAOYSA-N 1 0 346.393 2.787 20 10 EFCDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cccc(O)c1O ZINC000186764400 473752170 /nfs/dbraw/zinc/75/21/70/473752170.db2.gz RUIPAZZHZPWNSH-ZDUSSCGKSA-N 1 0 332.425 2.726 20 10 EFCDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000179938442 473757920 /nfs/dbraw/zinc/75/79/20/473757920.db2.gz VZXZEBNGMYUZLW-GJZGRUSLSA-N 1 0 334.460 2.918 20 10 EFCDRO CC[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(N(C)C)cc1 ZINC000179991045 473770746 /nfs/dbraw/zinc/77/07/46/473770746.db2.gz YBOJRLSKGMCYID-MSOLQXFVSA-N 1 0 334.460 2.715 20 10 EFCDRO CC[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(N(C)C)cc1 ZINC000179991060 473771386 /nfs/dbraw/zinc/77/13/86/473771386.db2.gz YBOJRLSKGMCYID-QZTJIDSGSA-N 1 0 334.460 2.715 20 10 EFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)cc1 ZINC000179996621 473771951 /nfs/dbraw/zinc/77/19/51/473771951.db2.gz VOUSNGGAHBKDIQ-MAUKXSAKSA-N 1 0 334.460 2.715 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000173254763 473782778 /nfs/dbraw/zinc/78/27/78/473782778.db2.gz NYIJCINOPRJGJM-SFHVURJKSA-N 1 0 332.492 2.768 20 10 EFCDRO CCCNC(=O)C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000186934793 473784936 /nfs/dbraw/zinc/78/49/36/473784936.db2.gz MBCSWSWKVOJMEU-SNVBAGLBSA-N 1 0 329.238 2.640 20 10 EFCDRO Cc1ccc([C@H](CNC(=O)c2cccc(O)c2O)[NH+]2CCCC2)o1 ZINC000187060169 473810069 /nfs/dbraw/zinc/81/00/69/473810069.db2.gz JMYUAVVOYPOWSJ-AWEZNQCLSA-N 1 0 330.384 2.566 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCc3ccccc3[C@H]2CO)cc1OC ZINC000180281875 473846051 /nfs/dbraw/zinc/84/60/51/473846051.db2.gz VVGSGBKEXVHKJQ-MRXNPFEDSA-N 1 0 329.396 2.501 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(O)CCSC2)c1O ZINC000187276086 473851508 /nfs/dbraw/zinc/85/15/08/473851508.db2.gz ZZEFTLVTCBILMN-IINYFYTJSA-N 1 0 346.290 2.982 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(CN3CCCCC3=O)CC2)c1 ZINC000180337804 473855782 /nfs/dbraw/zinc/85/57/82/473855782.db2.gz NRSYKMORYABZLF-UHFFFAOYSA-N 1 0 332.444 2.625 20 10 EFCDRO O=C(CCC[NH2+]Cc1cc(F)ccc1O)N1CCc2ccccc21 ZINC000180627908 473924361 /nfs/dbraw/zinc/92/43/61/473924361.db2.gz LDOJOHDNBGMDHZ-UHFFFAOYSA-N 1 0 328.387 2.990 20 10 EFCDRO CC[C@H]([NH2+]CCc1nc(C)n[nH]1)c1cc(Br)ccc1O ZINC000274817009 473971766 /nfs/dbraw/zinc/97/17/66/473971766.db2.gz ZNSQTERIYAHQPD-LBPRGKRZSA-N 1 0 339.237 2.865 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)NCCCCC[NH+]1CCCCC1 ZINC000181068493 474003111 /nfs/dbraw/zinc/00/31/11/474003111.db2.gz PUMNFZYUHDGZLD-CSKARUKUSA-N 1 0 332.444 2.883 20 10 EFCDRO COc1ccnc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000264471036 474003596 /nfs/dbraw/zinc/00/35/96/474003596.db2.gz XWUXPUVHHKLOHS-UHFFFAOYSA-N 1 0 327.428 2.559 20 10 EFCDRO C[N@@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C2(CCCCC2)C1 ZINC000181144435 474009501 /nfs/dbraw/zinc/00/95/01/474009501.db2.gz PYHMSMBQHWJXIT-SOFGYWHQSA-N 1 0 330.428 2.588 20 10 EFCDRO COc1cccc2c1CC[N@H+](Cc1cc(OC)c(OC)cc1O)C2 ZINC000181451604 474037768 /nfs/dbraw/zinc/03/77/68/474037768.db2.gz VSKOCRQDHGASRW-UHFFFAOYSA-N 1 0 329.396 2.976 20 10 EFCDRO CN(C)C(=O)N1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000181648643 474055498 /nfs/dbraw/zinc/05/54/98/474055498.db2.gz UJTWOESDNWJVLZ-UHFFFAOYSA-N 1 0 330.476 2.522 20 10 EFCDRO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000282448572 474070827 /nfs/dbraw/zinc/07/08/27/474070827.db2.gz ZRNJFJMMDCSJPU-WMZOPIPTSA-N 1 0 336.451 2.957 20 10 EFCDRO C[C@H](O)CN1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000275152309 474086591 /nfs/dbraw/zinc/08/65/91/474086591.db2.gz TUPVORPRAGXVPY-INIZCTEOSA-N 1 0 326.440 2.558 20 10 EFCDRO CCCC[N@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1O ZINC000282512803 474093249 /nfs/dbraw/zinc/09/32/49/474093249.db2.gz SEHGXCNDZHUUMD-UHFFFAOYSA-N 1 0 347.459 2.715 20 10 EFCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)COC1CCOCC1 ZINC000282550603 474107270 /nfs/dbraw/zinc/10/72/70/474107270.db2.gz XCUJJXYRWOTRRR-QGZVFWFLSA-N 1 0 337.460 2.551 20 10 EFCDRO C[C@@](O)(C[NH2+]Cc1cc(Br)ccc1O)C(F)(F)F ZINC000270487531 474137433 /nfs/dbraw/zinc/13/74/33/474137433.db2.gz KPDYVNVTXMMVNR-SNVBAGLBSA-N 1 0 328.128 2.558 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)c1 ZINC000182337477 474151844 /nfs/dbraw/zinc/15/18/44/474151844.db2.gz VYDNQFMRUYLEJG-CYBMUJFWSA-N 1 0 335.425 2.525 20 10 EFCDRO Cc1n[nH]c(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2O)n1 ZINC000275365259 474159564 /nfs/dbraw/zinc/15/95/64/474159564.db2.gz UMKWROJTCUNAKV-SECBINFHSA-N 1 0 339.237 2.783 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(CO)c1 ZINC000270541413 474163752 /nfs/dbraw/zinc/16/37/52/474163752.db2.gz XPIUBGQBECNVKJ-INIZCTEOSA-N 1 0 326.440 2.866 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1F ZINC000182524402 474195674 /nfs/dbraw/zinc/19/56/74/474195674.db2.gz STWBJCOOGUNONK-WBVHZDCISA-N 1 0 348.466 2.517 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)cc1 ZINC000275541886 474228022 /nfs/dbraw/zinc/22/80/22/474228022.db2.gz MTQCMIXZAPUWDR-ROUUACIJSA-N 1 0 328.460 2.886 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)C(=O)NCCF ZINC000282890797 474233206 /nfs/dbraw/zinc/23/32/06/474233206.db2.gz ZGVXSVNSRWDEMO-CQSZACIVSA-N 1 0 346.402 2.535 20 10 EFCDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)C(=O)NC(C)(C)C ZINC000227441655 474245513 /nfs/dbraw/zinc/24/55/13/474245513.db2.gz OOXXMGJTQKBGIR-SECBINFHSA-N 1 0 329.238 2.548 20 10 EFCDRO CC[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1cc(Br)ccc1O ZINC000228058067 474247540 /nfs/dbraw/zinc/24/75/40/474247540.db2.gz ZKXLHSYHPGNDFY-RIEGTJTDSA-N 1 0 344.249 2.735 20 10 EFCDRO C[NH+](C)CCN(Cc1cccs1)Cc1cc2c(cc1O)OCO2 ZINC000289434987 474268912 /nfs/dbraw/zinc/26/89/12/474268912.db2.gz LHALYUXAIBGAKQ-UHFFFAOYSA-N 1 0 334.441 2.746 20 10 EFCDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cc(C)c(C)cc2O)cc1O ZINC000289449849 474276810 /nfs/dbraw/zinc/27/68/10/474276810.db2.gz NAJWPAWJYWURFF-MRXNPFEDSA-N 1 0 345.439 2.664 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CCN2CCCOCC2)c(C(F)(F)F)c1 ZINC000289449953 474276988 /nfs/dbraw/zinc/27/69/88/474276988.db2.gz NBIOULZKNXYTHS-UHFFFAOYSA-N 1 0 345.409 2.583 20 10 EFCDRO CCN(CCC[NH+](CC)CC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000289517216 474304336 /nfs/dbraw/zinc/30/43/36/474304336.db2.gz VDEVZWSCOPZIQD-UHFFFAOYSA-N 1 0 339.436 2.863 20 10 EFCDRO Cc1cc(N2CCC([NH2+]Cc3ccc(N(C)C)c(F)c3)CC2)n[nH]1 ZINC000275789979 474319420 /nfs/dbraw/zinc/31/94/20/474319420.db2.gz CFYIBBMETLVQHB-UHFFFAOYSA-N 1 0 331.439 2.682 20 10 EFCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000265780833 474334338 /nfs/dbraw/zinc/33/43/38/474334338.db2.gz OHEFUVQFNRLJCE-AZUAARDMSA-N 1 0 340.467 2.673 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1 ZINC000289596988 474338564 /nfs/dbraw/zinc/33/85/64/474338564.db2.gz XNDJZYMYVVDRDT-CQSZACIVSA-N 1 0 343.393 2.643 20 10 EFCDRO COCC[C@](C)(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000183156166 474341053 /nfs/dbraw/zinc/34/10/53/474341053.db2.gz YPNJVBUCNFHYRK-FQEVSTJZSA-N 1 0 345.439 2.848 20 10 EFCDRO COCCOCc1ccc(C[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000289625723 474351634 /nfs/dbraw/zinc/35/16/34/474351634.db2.gz FYSLLSKDCKWVLE-UHFFFAOYSA-N 1 0 331.412 2.854 20 10 EFCDRO CC[C@H]([NH2+]Cc1cc(Br)ccc1O)[C@H](O)C(F)(F)F ZINC000270998350 474359596 /nfs/dbraw/zinc/35/95/96/474359596.db2.gz PPFOIBRGDHVGTC-ONGXEEELSA-N 1 0 342.155 2.946 20 10 EFCDRO CC[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccccc1O ZINC000183342151 474373911 /nfs/dbraw/zinc/37/39/11/474373911.db2.gz JXMITYHHLFOCKU-STQMWFEESA-N 1 0 330.350 2.986 20 10 EFCDRO CC[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccccc1O ZINC000183342123 474374041 /nfs/dbraw/zinc/37/40/41/474374041.db2.gz JXMITYHHLFOCKU-QWHCGFSZSA-N 1 0 330.350 2.986 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccccc1O ZINC000183421653 474377677 /nfs/dbraw/zinc/37/76/77/474377677.db2.gz FSZZZVNDMXACII-GJZGRUSLSA-N 1 0 327.428 2.863 20 10 EFCDRO CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC000183439794 474379982 /nfs/dbraw/zinc/37/99/82/474379982.db2.gz WPPPVUZIXABFPQ-IFXJQAMLSA-N 1 0 342.439 2.838 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000183486322 474386182 /nfs/dbraw/zinc/38/61/82/474386182.db2.gz MUPPLMHUEYLYNI-UHFFFAOYSA-N 1 0 343.383 2.631 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccccc1O ZINC000183523545 474388309 /nfs/dbraw/zinc/38/83/09/474388309.db2.gz PWJZESALXKBREP-YVWKXTFCSA-N 1 0 340.467 2.926 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(N3CCCCC3=O)CC2)cc1F ZINC000271169467 474417526 /nfs/dbraw/zinc/41/75/26/474417526.db2.gz DEEKDUJQYFPFSA-UHFFFAOYSA-N 1 0 333.451 2.869 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3occc3C)CC2)cc1 ZINC000266211348 474424343 /nfs/dbraw/zinc/42/43/43/474424343.db2.gz OEOUPRUCFMPENF-UHFFFAOYSA-N 1 0 329.444 2.508 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1F ZINC000289821480 474443379 /nfs/dbraw/zinc/44/33/79/474443379.db2.gz TYBCTVFKURGZKW-QWHCGFSZSA-N 1 0 334.357 2.884 20 10 EFCDRO COc1cc(O)c(CN(CC[NH+](C)C)Cc2ccccc2)cc1OC ZINC000289845577 474452443 /nfs/dbraw/zinc/45/24/43/474452443.db2.gz PRGYHNMZCOMJOY-UHFFFAOYSA-N 1 0 344.455 2.973 20 10 EFCDRO COc1cccc(CNC(=O)NCCCCCCC[NH+](C)C)c1O ZINC000266700335 474452894 /nfs/dbraw/zinc/45/28/94/474452894.db2.gz GPGOLYWAZYHNQP-UHFFFAOYSA-N 1 0 337.464 2.712 20 10 EFCDRO C[C@@H](O)CN1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000276293034 474485446 /nfs/dbraw/zinc/48/54/46/474485446.db2.gz TUPVORPRAGXVPY-MRXNPFEDSA-N 1 0 326.440 2.558 20 10 EFCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)c(O)c1 ZINC000271340575 474499353 /nfs/dbraw/zinc/49/93/53/474499353.db2.gz OGOYSOFOXFTUPZ-HNNXBMFYSA-N 1 0 330.432 2.987 20 10 EFCDRO CCC[NH+](CCC)CCCNC(=O)NCc1cccc(OC)c1O ZINC000266849123 474502534 /nfs/dbraw/zinc/50/25/34/474502534.db2.gz QCNCBMNRGNYPGO-UHFFFAOYSA-N 1 0 337.464 2.712 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1F ZINC000289959326 474504174 /nfs/dbraw/zinc/50/41/74/474504174.db2.gz CIAAEAOEDOBQQY-OAHLLOKOSA-N 1 0 342.480 2.586 20 10 EFCDRO COc1cc(Cl)cc(C[NH+]2CCC(Cn3cncn3)CC2)c1O ZINC000189973999 474524610 /nfs/dbraw/zinc/52/46/10/474524610.db2.gz LOABJXGEQJEKSE-UHFFFAOYSA-N 1 0 336.823 2.558 20 10 EFCDRO COc1cncc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000290067660 474546412 /nfs/dbraw/zinc/54/64/12/474546412.db2.gz VWQVLCPZOFSHBJ-KRWDZBQOSA-N 1 0 328.412 2.977 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000290071572 474547280 /nfs/dbraw/zinc/54/72/80/474547280.db2.gz UFVUBOMKTKPPNK-FQEVSTJZSA-N 1 0 331.504 2.564 20 10 EFCDRO CC[C@H]([NH2+][C@H]1COC[C@@H]1OC)c1cc(Br)ccc1O ZINC000290121093 474558303 /nfs/dbraw/zinc/55/83/03/474558303.db2.gz JJOKFVUEQQMUDZ-OBJOEFQTSA-N 1 0 330.222 2.609 20 10 EFCDRO Oc1ccc(F)cc1C[NH2+]CCCn1cc(Br)cn1 ZINC000290235589 474563468 /nfs/dbraw/zinc/56/34/68/474563468.db2.gz UDKOIARXHRSNQJ-UHFFFAOYSA-N 1 0 328.185 2.670 20 10 EFCDRO Cc1ccc([C@@H](CNC(=O)c2c(F)ccc(O)c2O)[NH+](C)C)cc1 ZINC000276664313 474568727 /nfs/dbraw/zinc/56/87/27/474568727.db2.gz YLEUZBDISLAGGS-CQSZACIVSA-N 1 0 332.375 2.578 20 10 EFCDRO CS(=O)(=O)CC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000267046911 474573834 /nfs/dbraw/zinc/57/38/34/474573834.db2.gz DQJOWEOPAZGUPO-UHFFFAOYSA-N 1 0 345.464 2.974 20 10 EFCDRO C[N@H+](Cc1cc(F)ccc1O)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000190321945 474579293 /nfs/dbraw/zinc/57/92/93/474579293.db2.gz IXKGTZMOIMCTEM-FQEVSTJZSA-N 1 0 344.430 2.600 20 10 EFCDRO COc1cc(Cl)cc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c1O ZINC000184677199 474580331 /nfs/dbraw/zinc/58/03/31/474580331.db2.gz GHMVCGXFYIBTEV-UHFFFAOYSA-N 1 0 338.835 2.545 20 10 EFCDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000290637545 474580870 /nfs/dbraw/zinc/58/08/70/474580870.db2.gz DKYXHRMWSVBSJC-MRXNPFEDSA-N 1 0 330.476 2.591 20 10 EFCDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1c(F)ccc(O)c1O ZINC000277312451 474581813 /nfs/dbraw/zinc/58/18/13/474581813.db2.gz FFBSKELHPBDXRH-UHFFFAOYSA-N 1 0 344.386 2.763 20 10 EFCDRO COc1ccc(O)c(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1 ZINC000271694007 474586283 /nfs/dbraw/zinc/58/62/83/474586283.db2.gz AKAVGKHUJYXVAI-UHFFFAOYSA-N 1 0 326.396 2.664 20 10 EFCDRO CCCOc1ccc(C[NH2+]C2CCN(c3cccnn3)CC2)c(O)c1 ZINC000277788007 474594861 /nfs/dbraw/zinc/59/48/61/474594861.db2.gz ZTQKVFZJXRUPDO-UHFFFAOYSA-N 1 0 342.443 2.730 20 10 EFCDRO CCOc1cccc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)c1O ZINC000291166945 474595783 /nfs/dbraw/zinc/59/57/83/474595783.db2.gz DDZVUNGWCTZZBY-CQSZACIVSA-N 1 0 344.386 2.825 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@H]3Cc4ccccc4[C@@H]3O)CC2)cc1F ZINC000271881801 474598278 /nfs/dbraw/zinc/59/82/78/474598278.db2.gz CEJCZSDIQCTTMZ-ICSRJNTNSA-N 1 0 342.414 2.615 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)c(O)c1 ZINC000278112462 474601166 /nfs/dbraw/zinc/60/11/66/474601166.db2.gz BOTFRORGMMPWBV-INIZCTEOSA-N 1 0 344.459 2.673 20 10 EFCDRO COc1c([O-])c(C[N@@H+]2CCS[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278219070 474603891 /nfs/dbraw/zinc/60/38/91/474603891.db2.gz LIMWWOANMPKVDT-CYBMUJFWSA-N 1 0 326.418 2.882 20 10 EFCDRO COc1c(O)c(C[N@H+](C)Cc2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000278207385 474604284 /nfs/dbraw/zinc/60/42/84/474604284.db2.gz JSEGFXUHPODVFI-UHFFFAOYSA-N 1 0 346.339 2.670 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+]C[C@@H]3CCSC3)CC2)cc1 ZINC000278301586 474606932 /nfs/dbraw/zinc/60/69/32/474606932.db2.gz CRWCQQQYSAACAL-KRWDZBQOSA-N 1 0 349.544 2.550 20 10 EFCDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)[C@H]2C1 ZINC000272473882 474612901 /nfs/dbraw/zinc/61/29/01/474612901.db2.gz QOAICCMRXPWCBN-HKUYNNGSSA-N 1 0 342.487 2.522 20 10 EFCDRO C[C@H]([NH2+]CCCN1CCOCC1)c1cc(Br)ccc1O ZINC000184837669 474617859 /nfs/dbraw/zinc/61/78/59/474617859.db2.gz DUBIQYYMTGRCBX-LBPRGKRZSA-N 1 0 343.265 2.528 20 10 EFCDRO C[C@@H](NC(=O)NCc1ccccc1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272721618 474624508 /nfs/dbraw/zinc/62/45/08/474624508.db2.gz JDDDUHVZKXEDST-GDBMZVCRSA-N 1 0 331.460 2.844 20 10 EFCDRO Cc1cc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c(C)n1-c1ccccn1 ZINC000272751532 474624780 /nfs/dbraw/zinc/62/47/80/474624780.db2.gz OHTKAYAOLUHAHG-OAHLLOKOSA-N 1 0 338.455 2.869 20 10 EFCDRO CCCc1nc(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)o1 ZINC000292823108 474660864 /nfs/dbraw/zinc/66/08/64/474660864.db2.gz QFHPYYISNRZITQ-UHFFFAOYSA-N 1 0 335.360 2.848 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3(C)CCC3)cc2F)CC1 ZINC000267387677 474665190 /nfs/dbraw/zinc/66/51/90/474665190.db2.gz LUSPNBLCBLONFR-UHFFFAOYSA-N 1 0 333.451 2.774 20 10 EFCDRO COc1c(O)c(C[N@H+](CCO)Cc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000278525644 474680094 /nfs/dbraw/zinc/68/00/94/474680094.db2.gz TVBXYDIJBVDIKD-UHFFFAOYSA-N 1 0 346.383 2.612 20 10 EFCDRO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278534994 474687794 /nfs/dbraw/zinc/68/77/94/474687794.db2.gz VYVRPTGRAVPBIO-ZDUSSCGKSA-N 1 0 339.436 2.909 20 10 EFCDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(N(C)C)c(C)c1)CC2 ZINC000293026990 474773023 /nfs/dbraw/zinc/77/30/23/474773023.db2.gz IRLFWMORFQRUMR-RBUKOAKNSA-N 1 0 332.488 2.813 20 10 EFCDRO COC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)[C@H]1CCCO1 ZINC000278701138 474781910 /nfs/dbraw/zinc/78/19/10/474781910.db2.gz HLTLPAXNWPOSQF-VZJVUDMVSA-N 1 0 344.249 2.999 20 10 EFCDRO Cc1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)ccc1N(C)C ZINC000293133522 474832304 /nfs/dbraw/zinc/83/23/04/474832304.db2.gz PWXFWMDBVYMUQZ-KRWDZBQOSA-N 1 0 339.487 2.978 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1cc(F)ccc1O ZINC000273362405 474859981 /nfs/dbraw/zinc/85/99/81/474859981.db2.gz DDQXLVDAZBKBKC-LLVKDONJSA-N 1 0 338.404 2.754 20 10 EFCDRO COc1c(O)c(CNCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000278833487 474860863 /nfs/dbraw/zinc/86/08/63/474860863.db2.gz IXASACIREJCZIO-UHFFFAOYSA-N 1 0 325.409 2.517 20 10 EFCDRO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273384139 474871560 /nfs/dbraw/zinc/87/15/60/474871560.db2.gz JAYZHRSGKOALCJ-CQSZACIVSA-N 1 0 348.468 2.768 20 10 EFCDRO COCCOc1ncccc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000273430272 474893534 /nfs/dbraw/zinc/89/35/34/474893534.db2.gz VJNYFRDACXRPQA-CYBMUJFWSA-N 1 0 332.400 2.672 20 10 EFCDRO COCCOc1ncccc1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000273430277 474893885 /nfs/dbraw/zinc/89/38/85/474893885.db2.gz VJNYFRDACXRPQA-ZDUSSCGKSA-N 1 0 332.400 2.672 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cc(Br)ccc1O ZINC000273443942 474899766 /nfs/dbraw/zinc/89/97/66/474899766.db2.gz DSVRCCMBRSHHQV-ZUZCIYMTSA-N 1 0 344.249 2.593 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@H]2C)c1O ZINC000278910557 474908832 /nfs/dbraw/zinc/90/88/32/474908832.db2.gz VRWLJMQTKNGSNR-PGUXBMHVSA-N 1 0 344.249 2.654 20 10 EFCDRO COc1c([O-])c(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000278926313 474919818 /nfs/dbraw/zinc/91/98/18/474919818.db2.gz VOMYBBNXOAMGRM-CYBMUJFWSA-N 1 0 337.420 2.521 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)c1 ZINC000273480506 474922586 /nfs/dbraw/zinc/92/25/86/474922586.db2.gz UKNCUMJANNIFRR-YJBOKZPZSA-N 1 0 339.439 2.937 20 10 EFCDRO CCCOc1ccc(CN(C)Cc2ncnn2CC(F)F)c(O)c1 ZINC000279011533 474955962 /nfs/dbraw/zinc/95/59/62/474955962.db2.gz LQURBRZHLZIAKP-UHFFFAOYSA-N 1 0 340.374 2.670 20 10 EFCDRO CN1CC[C@@H]([N@H+](C)Cc2ccc(OCc3ccccc3)cc2O)C1=O ZINC000273547583 474957532 /nfs/dbraw/zinc/95/75/32/474957532.db2.gz URIMCIHRJADJAD-GOSISDBHSA-N 1 0 340.423 2.634 20 10 EFCDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000279161994 474962190 /nfs/dbraw/zinc/96/21/90/474962190.db2.gz AWGIWYQONJGJMD-YWZLYKJASA-N 1 0 343.423 2.601 20 10 EFCDRO C[C@@H]([NH2+]CCN1CCSCC1)c1ccc(Br)cc1O ZINC000273561334 474962874 /nfs/dbraw/zinc/96/28/74/474962874.db2.gz IDSZJZCMGJKGCA-LLVKDONJSA-N 1 0 345.306 2.854 20 10 EFCDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000273562997 474964790 /nfs/dbraw/zinc/96/47/90/474964790.db2.gz IRCWITSKEFKLCT-WCQYABFASA-N 1 0 343.265 2.526 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(CC(N)=O)CC2)c(C(F)(F)F)c1 ZINC000279530418 474978711 /nfs/dbraw/zinc/97/87/11/474978711.db2.gz BWZZGJMOLCHARR-UHFFFAOYSA-N 1 0 343.393 2.859 20 10 EFCDRO C[C@H](NC(=O)c1cccc(O)c1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000279789554 474991503 /nfs/dbraw/zinc/99/15/03/474991503.db2.gz IMCVXJLWYRDKKJ-HOCLYGCPSA-N 1 0 340.423 2.738 20 10 EFCDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279792075 474991825 /nfs/dbraw/zinc/99/18/25/474991825.db2.gz CWHIGAXUBJNELA-LBPRGKRZSA-N 1 0 343.393 2.872 20 10 EFCDRO CCCCOC[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000279982554 475001914 /nfs/dbraw/zinc/00/19/14/475001914.db2.gz JVBUBPOYGXHWGX-ROUUACIJSA-N 1 0 337.460 2.551 20 10 EFCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3C)cc2F)C[C@H](C)O1 ZINC000279959062 475002761 /nfs/dbraw/zinc/00/27/61/475002761.db2.gz PAVRIGODEKAJAV-OIPACUDHSA-N 1 0 336.451 2.954 20 10 EFCDRO CC[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(C)cc1O ZINC000280225025 475014101 /nfs/dbraw/zinc/01/41/01/475014101.db2.gz VAHNQTTZKLFQTR-CHWSQXEVSA-N 1 0 330.350 2.905 20 10 EFCDRO COc1cc(Cl)cc(C[NH+]2CCC(CCC(N)=O)CC2)c1O ZINC000273700841 475017951 /nfs/dbraw/zinc/01/79/51/475017951.db2.gz DDHROMSLCMQKJO-UHFFFAOYSA-N 1 0 326.824 2.532 20 10 EFCDRO C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000280429986 475025616 /nfs/dbraw/zinc/02/56/16/475025616.db2.gz BWGRKJZIKQXZBT-YTQUADARSA-N 1 0 332.488 2.973 20 10 EFCDRO Cc1cnn(C)c1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000285461372 475025855 /nfs/dbraw/zinc/02/58/55/475025855.db2.gz MZANCUWXLFWWMX-HUUCEWRRSA-N 1 0 346.450 2.771 20 10 EFCDRO Cc1ccoc1CN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000292435585 475026515 /nfs/dbraw/zinc/02/65/15/475026515.db2.gz WMIBHHWBDHBAGH-UHFFFAOYSA-N 1 0 329.444 2.744 20 10 EFCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(F)ccc2O)s1 ZINC000280509886 475028979 /nfs/dbraw/zinc/02/89/79/475028979.db2.gz GTVPTFSFWCJMIT-UHFFFAOYSA-N 1 0 329.418 2.676 20 10 EFCDRO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccccc1O ZINC000285533807 475029613 /nfs/dbraw/zinc/02/96/13/475029613.db2.gz CTVDNBXBVWCVCS-YCXXCVGLSA-N 1 0 345.487 2.517 20 10 EFCDRO C[NH2+]CCC(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000285698350 475037650 /nfs/dbraw/zinc/03/76/50/475037650.db2.gz BPPYRVIIFMHXPL-UHFFFAOYSA-N 1 0 341.455 2.904 20 10 EFCDRO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000285673164 475037721 /nfs/dbraw/zinc/03/77/21/475037721.db2.gz ZWNYJUPWTRSNAX-CYBMUJFWSA-N 1 0 337.851 2.815 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000268749671 475039604 /nfs/dbraw/zinc/03/96/04/475039604.db2.gz IXXPBQSOSCMSCT-CVEARBPZSA-N 1 0 336.501 2.762 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(N2CCOCC2)cc1 ZINC000268800303 475041382 /nfs/dbraw/zinc/04/13/82/475041382.db2.gz HJTUGUUYSQBWAF-HNAYVOBHSA-N 1 0 340.471 2.985 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(N2CCOCC2)cc1 ZINC000268800298 475042398 /nfs/dbraw/zinc/04/23/98/475042398.db2.gz HJTUGUUYSQBWAF-BEFAXECRSA-N 1 0 340.471 2.985 20 10 EFCDRO CC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccc(F)cc1[O-] ZINC000285850886 475044196 /nfs/dbraw/zinc/04/41/96/475044196.db2.gz XWLDYNYQQXYWCU-SFHVURJKSA-N 1 0 337.483 2.990 20 10 EFCDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@@H](O)C(F)(F)F ZINC000273761846 475045913 /nfs/dbraw/zinc/04/59/13/475045913.db2.gz PFZWXDHIUZVKBF-BXKDBHETSA-N 1 0 327.730 2.846 20 10 EFCDRO Cc1nccn1CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268833396 475047020 /nfs/dbraw/zinc/04/70/20/475047020.db2.gz FZZCLIBURKZVGH-OAHLLOKOSA-N 1 0 346.450 2.908 20 10 EFCDRO C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000280879937 475054559 /nfs/dbraw/zinc/05/45/59/475054559.db2.gz DJRCFVFCXIHSEX-PBHICJAKSA-N 1 0 336.451 2.864 20 10 EFCDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000286506670 475068283 /nfs/dbraw/zinc/06/82/83/475068283.db2.gz MPBSSQVOGXUXIP-OAHLLOKOSA-N 1 0 330.350 2.680 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)[NH2+]C1CC1 ZINC000294686798 475079987 /nfs/dbraw/zinc/07/99/87/475079987.db2.gz ACXHEFUZKHJOHT-SNVBAGLBSA-N 1 0 341.249 2.644 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CSC[C@@H]3C)CC2)cc1 ZINC000294777524 475083345 /nfs/dbraw/zinc/08/33/45/475083345.db2.gz NKZFCTJOCCPCPA-LPHOPBHVSA-N 1 0 349.544 2.548 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)C[NH+](C)C)ccc21 ZINC000286942469 475085920 /nfs/dbraw/zinc/08/59/20/475085920.db2.gz KBGVORBPHMBINZ-ZDUSSCGKSA-N 1 0 331.460 2.584 20 10 EFCDRO Oc1cc2c(cc1C[NH2+]Cc1cccc(C(F)(F)F)n1)OCO2 ZINC000294930286 475092264 /nfs/dbraw/zinc/09/22/64/475092264.db2.gz ZLBHZRDGCQVMAX-UHFFFAOYSA-N 1 0 326.274 2.825 20 10 EFCDRO C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268961081 475097014 /nfs/dbraw/zinc/09/70/14/475097014.db2.gz XISOEQYIGBDJJJ-FUHWJXTLSA-N 1 0 348.510 2.712 20 10 EFCDRO CCOC(=O)c1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)[nH]c1C ZINC000294995475 475097114 /nfs/dbraw/zinc/09/71/14/475097114.db2.gz HXXKQOUSFRGLJI-UHFFFAOYSA-N 1 0 333.407 2.995 20 10 EFCDRO Cc1ccc([C@H](C[NH2+][C@H]2CCc3cccc(O)c32)N2CCOCC2)o1 ZINC000295914908 475134427 /nfs/dbraw/zinc/13/44/27/475134427.db2.gz JKSCPJCYXVLLLZ-IRXDYDNUSA-N 1 0 342.439 2.944 20 10 EFCDRO COC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3CCO)cc2)CC1 ZINC000295906946 475134602 /nfs/dbraw/zinc/13/46/02/475134602.db2.gz FLYYETYPMYNBEZ-FXAWDEMLSA-N 1 0 332.488 2.943 20 10 EFCDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cc2c(cc1O)CCCC2 ZINC000281287861 475155002 /nfs/dbraw/zinc/15/50/02/475155002.db2.gz XXJPVUABJLIDBI-CYBMUJFWSA-N 1 0 337.485 2.889 20 10 EFCDRO COc1c([O-])c(C[N@@H+]2CCC[C@@H](CSC)C2)ccc1[N+](=O)[O-] ZINC000292773347 475191907 /nfs/dbraw/zinc/19/19/07/475191907.db2.gz KRCMOHDTHVKYSJ-LLVKDONJSA-N 1 0 326.418 2.884 20 10 EFCDRO FC(F)(F)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000287557974 475194770 /nfs/dbraw/zinc/19/47/70/475194770.db2.gz GASALQMJYBOEPZ-GOEBONIOSA-N 1 0 344.377 2.723 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)C[NH+](C)C)ccc21 ZINC000346157216 475566384 /nfs/dbraw/zinc/56/63/84/475566384.db2.gz KBGVORBPHMBINZ-CYBMUJFWSA-N 1 0 331.460 2.584 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1F ZINC000297398024 475740439 /nfs/dbraw/zinc/74/04/39/475740439.db2.gz XIMXRSDBWQWZHX-IBGZPJMESA-N 1 0 348.466 2.519 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)c(O)c1 ZINC000297405719 475744253 /nfs/dbraw/zinc/74/42/53/475744253.db2.gz SUNHCEJMBGSQPB-NFOMZHRRSA-N 1 0 325.474 2.955 20 10 EFCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)CC2 ZINC000297606314 475827709 /nfs/dbraw/zinc/82/77/09/475827709.db2.gz IICRLJJVIGBNMU-BLLLJJGKSA-N 1 0 335.350 2.687 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCC[NH+]1CCCC1 ZINC000349144723 475910284 /nfs/dbraw/zinc/91/02/84/475910284.db2.gz SLTMJOQGRPJONV-UHFFFAOYSA-N 1 0 328.460 2.772 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC[NH+]1CCCCC1 ZINC000349142390 475910422 /nfs/dbraw/zinc/91/04/22/475910422.db2.gz NSHBFHJSZUQWJL-UHFFFAOYSA-N 1 0 328.460 2.772 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000349215893 475924023 /nfs/dbraw/zinc/92/40/23/475924023.db2.gz JLOFLUWLHQBISC-UHFFFAOYSA-N 1 0 340.471 2.913 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000349895452 476016830 /nfs/dbraw/zinc/01/68/30/476016830.db2.gz PMGUBHHCAZNHAR-ZBFHGGJFSA-N 1 0 328.460 2.769 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000350034493 476035307 /nfs/dbraw/zinc/03/53/07/476035307.db2.gz QGGMBWOIYVRSNF-INIZCTEOSA-N 1 0 340.471 2.865 20 10 EFCDRO C[C@@H](c1ccccc1)[N@H+](CCC(=O)NC(N)=O)Cc1ccccc1O ZINC000299582488 476143224 /nfs/dbraw/zinc/14/32/24/476143224.db2.gz HTTHZHMOSPVAIQ-AWEZNQCLSA-N 1 0 341.411 2.540 20 10 EFCDRO COc1ccc(N2CC[NH+](CCCNc3ncccc3F)CC2)cc1 ZINC000301598066 476171590 /nfs/dbraw/zinc/17/15/90/476171590.db2.gz XIOABJLTKPVKND-UHFFFAOYSA-N 1 0 344.434 2.854 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)c(O)c1C ZINC000359878975 476270307 /nfs/dbraw/zinc/27/03/07/476270307.db2.gz YPKDOACRGXVHRC-ZBFHGGJFSA-N 1 0 342.443 2.589 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCC(=O)OC(C)(C)C)CC2)cc1 ZINC000360093620 476291361 /nfs/dbraw/zinc/29/13/61/476291361.db2.gz SYMAFZRIJXQBEG-UHFFFAOYSA-N 1 0 334.460 2.985 20 10 EFCDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCO[C@@H]1C1CC1 ZINC000368769443 476368736 /nfs/dbraw/zinc/36/87/36/476368736.db2.gz ZQPCBMWISVEWIB-UXHICEINSA-N 1 0 330.472 2.818 20 10 EFCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)c1O ZINC000373116840 476378229 /nfs/dbraw/zinc/37/82/29/476378229.db2.gz ZPLDKVIZSLYZDU-CYBMUJFWSA-N 1 0 331.391 2.847 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c(O)c1 ZINC000373255282 476388910 /nfs/dbraw/zinc/38/89/10/476388910.db2.gz JLMNOHFRZNYDRC-GJZGRUSLSA-N 1 0 339.439 2.729 20 10 EFCDRO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c(O)c1 ZINC000373692692 476420668 /nfs/dbraw/zinc/42/06/68/476420668.db2.gz CZNOSZQLWYMQJV-GOSISDBHSA-N 1 0 340.423 2.682 20 10 EFCDRO O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000374081921 476452637 /nfs/dbraw/zinc/45/26/37/476452637.db2.gz WEFRIJHYTUOCGT-HOTGVXAUSA-N 1 0 343.471 2.697 20 10 EFCDRO NC(=O)[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000377615051 476473758 /nfs/dbraw/zinc/47/37/58/476473758.db2.gz KQYYZWIHFUAUTL-LJQANCHMSA-N 1 0 335.451 2.557 20 10 EFCDRO CC[C@@]1(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC[NH2+]C1 ZINC000374412380 476479670 /nfs/dbraw/zinc/47/96/70/476479670.db2.gz RZRZPQKNJVEBKF-HXUWFJFHSA-N 1 0 329.488 2.929 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)C[C@H]1c1ccccc1 ZINC000369705541 476486346 /nfs/dbraw/zinc/48/63/46/476486346.db2.gz YZOGSUJAHYRFKQ-ZWKOTPCHSA-N 1 0 341.407 2.789 20 10 EFCDRO O=C(NCc1cc(Cl)cc(Cl)c1[O-])C12CCC[NH+]1CCC2 ZINC000365611593 476646329 /nfs/dbraw/zinc/64/63/29/476646329.db2.gz WFGHOHKAPJUYFX-UHFFFAOYSA-N 1 0 329.227 2.944 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(c3c[nH]nc3C)CC2)cc1OC ZINC000375272217 476750939 /nfs/dbraw/zinc/75/09/39/476750939.db2.gz LOWOOJLRJBPQFW-UHFFFAOYSA-N 1 0 331.416 2.821 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1 ZINC000371372860 477272559 /nfs/dbraw/zinc/27/25/59/477272559.db2.gz IIXXTROTLCFOJJ-MRXNPFEDSA-N 1 0 332.444 2.768 20 10 EFCDRO CCCN(C(=O)NCc1c(C)c2ccccc2n1C)[C@@H]1CC[NH2+]C1 ZINC000418099451 477465783 /nfs/dbraw/zinc/46/57/83/477465783.db2.gz NJTJZKCOVMHSFI-OAHLLOKOSA-N 1 0 328.460 2.770 20 10 EFCDRO COc1ccc2c(c1)OCCN(Cc1cc3c(cc1O)OCO3)C2 ZINC000376763227 477493170 /nfs/dbraw/zinc/49/31/70/477493170.db2.gz DFOKLVYCNAOLSF-UHFFFAOYSA-N 1 0 329.352 2.524 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c1 ZINC000371834258 477517752 /nfs/dbraw/zinc/51/77/52/477517752.db2.gz IJQBEXLMWOCDKV-WBAXXEDZSA-N 1 0 334.460 2.695 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000377246300 477708163 /nfs/dbraw/zinc/70/81/63/477708163.db2.gz SJSPDNQTCVQLKB-IBGZPJMESA-N 1 0 330.472 2.772 20 10 EFCDRO C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[NH+]1[C@H](C)CC[C@H]1C ZINC000413536649 477719450 /nfs/dbraw/zinc/71/94/50/477719450.db2.gz VXWOPQNKSSCNJS-RBSFLKMASA-N 1 0 331.460 2.739 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1F ZINC000368085778 477784125 /nfs/dbraw/zinc/78/41/25/477784125.db2.gz VKONGRBMZZUDST-DLBZAZTESA-N 1 0 347.478 2.924 20 10 EFCDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000372433243 477796609 /nfs/dbraw/zinc/79/66/09/477796609.db2.gz DDPLABICJBSOQY-SFHVURJKSA-N 1 0 340.471 2.636 20 10 EFCDRO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1cc2c(cc1O)CCCC2 ZINC000368324740 477798521 /nfs/dbraw/zinc/79/85/21/477798521.db2.gz UDSGKOIAHRKDNX-BMGDILEWSA-N 1 0 330.472 2.785 20 10 EFCDRO C[NH2+]CCc1ccccc1C(=O)N(C)c1ccc(OC)c(OC)c1 ZINC000515634230 477847296 /nfs/dbraw/zinc/84/72/96/477847296.db2.gz SNVRLZGWMFMYHV-UHFFFAOYSA-N 1 0 328.412 2.742 20 10 EFCDRO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000471716796 478009887 /nfs/dbraw/zinc/00/98/87/478009887.db2.gz OJRJRAXESXMFKQ-OAHLLOKOSA-N 1 0 328.460 2.770 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000471972035 478012097 /nfs/dbraw/zinc/01/20/97/478012097.db2.gz DNYNESHATNYWJF-DZGCQCFKSA-N 1 0 328.460 2.769 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000472221151 478013366 /nfs/dbraw/zinc/01/33/66/478013366.db2.gz MLIYUAMEMZNOCG-KXBFYZLASA-N 1 0 340.471 2.722 20 10 EFCDRO Cc1c(/C=C\C(=O)N(CC[NH+]2CCCC2)c2ccccc2)cnn1C ZINC000492262472 478899138 /nfs/dbraw/zinc/89/91/38/478899138.db2.gz ILCBOCAHJOQBHP-KHPPLWFESA-N 1 0 338.455 2.871 20 10 EFCDRO Cc1cc(C)c2c(c1)N(C(=O)c1cnn3c1[C@@H](C[NH3+])CCC3)CCC2 ZINC000592522957 478930247 /nfs/dbraw/zinc/93/02/47/478930247.db2.gz UJGLCSHWPMRWSA-OAHLLOKOSA-N 1 0 338.455 2.929 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)ccc21 ZINC000583760168 478935847 /nfs/dbraw/zinc/93/58/47/478935847.db2.gz BYKAOPMOSMDNSQ-FZKQIMNGSA-N 1 0 343.471 2.714 20 10 EFCDRO CC(C)Oc1ccc(N(C)C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)cc1 ZINC000592567880 478942894 /nfs/dbraw/zinc/94/28/94/478942894.db2.gz YLCSUCZFMJUHJQ-CQSZACIVSA-N 1 0 342.443 2.783 20 10 EFCDRO COc1ccc(C[NH2+]Cc2csc(-c3cnn(C)c3)n2)c(O)c1 ZINC000529554494 479204606 /nfs/dbraw/zinc/20/46/06/479204606.db2.gz BWQOYIPCWLWYSG-UHFFFAOYSA-N 1 0 330.413 2.548 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)ccc21 ZINC000574049609 479205990 /nfs/dbraw/zinc/20/59/90/479205990.db2.gz JVOLYWKUOWMYSQ-CXAGYDPISA-N 1 0 343.471 2.775 20 10 EFCDRO COCCc1noc(CC2CC[NH+](Cc3cc(C)ccc3O)CC2)n1 ZINC000529639814 479232816 /nfs/dbraw/zinc/23/28/16/479232816.db2.gz LKKCUUUTUWODOD-UHFFFAOYSA-N 1 0 345.443 2.727 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+][C@@]2(CO)COc3ccccc3C2)c1O ZINC000529640945 479233346 /nfs/dbraw/zinc/23/33/46/479233346.db2.gz ADNIVLNWLOSUNP-SFHVURJKSA-N 1 0 349.814 2.510 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000574492963 479295683 /nfs/dbraw/zinc/29/56/83/479295683.db2.gz CTRFNDDCBQEPAR-ZDUSSCGKSA-N 1 0 337.427 2.567 20 10 EFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000574880744 479364387 /nfs/dbraw/zinc/36/43/87/479364387.db2.gz QGZJSWNWARQIRT-INIZCTEOSA-N 1 0 331.460 2.776 20 10 EFCDRO CC1(C)CN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c2cc(F)ccc21 ZINC000593915902 479507570 /nfs/dbraw/zinc/50/75/70/479507570.db2.gz ZZOLOGZCCIIXFW-LBPRGKRZSA-N 1 0 342.418 2.796 20 10 EFCDRO CC1(C)CN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c2cc(F)ccc21 ZINC000593915901 479507879 /nfs/dbraw/zinc/50/78/79/479507879.db2.gz ZZOLOGZCCIIXFW-GFCCVEGCSA-N 1 0 342.418 2.796 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578489937 479606847 /nfs/dbraw/zinc/60/68/47/479606847.db2.gz ZWXNMNJMLWVFIX-HXUWFJFHSA-N 1 0 340.471 2.772 20 10 EFCDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000578878218 479624940 /nfs/dbraw/zinc/62/49/40/479624940.db2.gz VIBLVNNOWLUHID-QGZVFWFLSA-N 1 0 343.471 2.729 20 10 EFCDRO C[NH2+]C1(CNC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CCC1 ZINC000630000364 480503828 /nfs/dbraw/zinc/50/38/28/480503828.db2.gz ISALYSQAZXSNLJ-UHFFFAOYSA-N 1 0 343.471 2.776 20 10 EFCDRO CC[NH2+]CCCNC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC000653045348 481044796 /nfs/dbraw/zinc/04/47/96/481044796.db2.gz FRPZCNJGLVMIGW-UHFFFAOYSA-N 1 0 343.471 2.645 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](C)[C@@H]([NH3+])C3)ccc21 ZINC000658972681 481135698 /nfs/dbraw/zinc/13/56/98/481135698.db2.gz ZGQZRTWFXJSMAA-ACJLOTCBSA-N 1 0 343.471 2.714 20 10 EFCDRO C[C@@H]1CN(C(=O)c2cccc3c2CC[NH2+]C3)c2ccccc2N(C)C1=O ZINC000662630355 481906296 /nfs/dbraw/zinc/90/62/96/481906296.db2.gz CUPLKRBCWQRKEB-CQSZACIVSA-N 1 0 349.434 2.592 20 10 EFCDRO O=C(c1cccc2c1CC[NH2+]C2)N1CCN(C2CC2)c2ccccc21 ZINC000662794685 481972335 /nfs/dbraw/zinc/97/23/35/481972335.db2.gz PYDMWQMAQXUKOX-UHFFFAOYSA-N 1 0 333.435 2.962 20 10 EFCDRO COC(=O)c1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c[nH]1 ZINC000160196246 533784309 /nfs/dbraw/zinc/78/43/09/533784309.db2.gz QHRBAHIDEZIBAC-MRXNPFEDSA-N 1 0 344.411 2.688 20 10 EFCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000172114576 534199352 /nfs/dbraw/zinc/19/93/52/534199352.db2.gz YUPFBPWACVUZOA-CQSZACIVSA-N 1 0 348.468 2.802 20 10 EFCDRO FC(F)(F)CN1CCC(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000189469841 534387591 /nfs/dbraw/zinc/38/75/91/534387591.db2.gz PMIIDJLFGIMYBM-UHFFFAOYSA-N 1 0 328.378 2.985 20 10 EFCDRO OCC1CCN(c2ccc(C[NH2+]C3CCN(C4CC4)CC3)cc2)CC1 ZINC000298394937 527528093 /nfs/dbraw/zinc/52/80/93/527528093.db2.gz LOWYUPDKVLBJKQ-UHFFFAOYSA-N 1 0 343.515 2.612 20 10 EFCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000177881283 527828590 /nfs/dbraw/zinc/82/85/90/527828590.db2.gz NDZBUXDBSDHOQE-GOSISDBHSA-N 1 0 342.487 2.546 20 10 EFCDRO CCC[N@H+](Cc1ccccc1O)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000174371621 528149009 /nfs/dbraw/zinc/14/90/09/528149009.db2.gz BQVJDCONJHWXTB-INIZCTEOSA-N 1 0 342.443 2.533 20 10 EFCDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000174442576 528285748 /nfs/dbraw/zinc/28/57/48/528285748.db2.gz DWEXFUYXLVNHPX-HNNXBMFYSA-N 1 0 336.455 2.517 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)cc1 ZINC000174639058 528307694 /nfs/dbraw/zinc/30/76/94/528307694.db2.gz AGBAHEFJNLBJBV-UHFFFAOYSA-N 1 0 326.506 2.836 20 10 EFCDRO CCCC[N@H+](Cc1cc(OCC)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000160786502 528441732 /nfs/dbraw/zinc/44/17/32/528441732.db2.gz VLQBKUKXLHMVED-HNNXBMFYSA-N 1 0 341.473 2.580 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000162524359 528764544 /nfs/dbraw/zinc/76/45/44/528764544.db2.gz GNHXPEMIGWIAMR-CYBMUJFWSA-N 1 0 343.265 2.877 20 10 EFCDRO CCN(C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)C1CC1 ZINC000171751337 529002513 /nfs/dbraw/zinc/00/25/13/529002513.db2.gz MAUGWOJYKKVEDO-UHFFFAOYSA-N 1 0 348.466 2.662 20 10 EFCDRO CC[C@@H]([NH2+]CC(=O)NCC1CC1)c1cc(Br)ccc1O ZINC000157896264 529154703 /nfs/dbraw/zinc/15/47/03/529154703.db2.gz ZEBMJQQFHREXEU-CYBMUJFWSA-N 1 0 341.249 2.722 20 10 EFCDRO CCC[NH+]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000298723668 534926447 /nfs/dbraw/zinc/92/64/47/534926447.db2.gz MRDRSDZMDQQBHA-UHFFFAOYSA-N 1 0 326.444 2.657 20 10 EFCDRO CCC[C@H]([NH3+])C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000236792848 535675318 /nfs/dbraw/zinc/67/53/18/535675318.db2.gz CSVGUGVBDIMPNR-LBPRGKRZSA-N 1 0 329.238 2.631 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CCC[NH2+]CC3)c2C)cc1 ZINC000237504844 536550996 /nfs/dbraw/zinc/55/09/96/536550996.db2.gz ADWXQXSFEVBJQB-UHFFFAOYSA-N 1 0 327.428 2.538 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H](C[NH3+])C3)c2C)cc1 ZINC000237505400 536551254 /nfs/dbraw/zinc/55/12/54/536551254.db2.gz IODQTHSZIFHSNL-MRXNPFEDSA-N 1 0 341.455 2.914 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)c2C)cc1 ZINC000262716940 536551702 /nfs/dbraw/zinc/55/17/02/536551702.db2.gz DTBAQMHAYDMDSM-DJJJIMSYSA-N 1 0 341.455 2.831 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCC[NH2+]C3)c2C)cc1 ZINC000237507092 536552349 /nfs/dbraw/zinc/55/23/49/536552349.db2.gz JWOWSYAAQJGKNG-OAHLLOKOSA-N 1 0 327.428 2.585 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCC[NH2+]C3)c2C)cc1 ZINC000237507503 536552604 /nfs/dbraw/zinc/55/26/04/536552604.db2.gz JWOWSYAAQJGKNG-HNNXBMFYSA-N 1 0 327.428 2.585 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@H]([NH3+])C3CC3)c2C)cc1 ZINC000237506790 536552858 /nfs/dbraw/zinc/55/28/58/536552858.db2.gz AEYFHKQYUHJIFN-SFHVURJKSA-N 1 0 327.428 2.570 20 10 EFCDRO COC[C@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@@H](C)O1 ZINC000296035641 536587418 /nfs/dbraw/zinc/58/74/18/536587418.db2.gz PKXVTMATCQLTLJ-OXQOHEQNSA-N 1 0 348.487 2.538 20 10 EFCDRO COc1ccc(N2CCCN(C(=O)CCCCCC[NH3+])CC2)cc1 ZINC000237279566 536673020 /nfs/dbraw/zinc/67/30/20/536673020.db2.gz UYJHEQDWWHEFFN-UHFFFAOYSA-N 1 0 333.476 2.643 20 10 EFCDRO COC1CCN(c2ccc(C[N@H+](C)CCn3cccn3)cc2)CC1 ZINC000297598570 536755412 /nfs/dbraw/zinc/75/54/12/536755412.db2.gz URLXJRPXSOFXQA-UHFFFAOYSA-N 1 0 328.460 2.630 20 10 EFCDRO COC1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H]3CCO)cc2)CC1 ZINC000295906952 536757930 /nfs/dbraw/zinc/75/79/30/536757930.db2.gz FLYYETYPMYNBEZ-PXNSSMCTSA-N 1 0 332.488 2.943 20 10 EFCDRO COc1ccncc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000294486092 537119163 /nfs/dbraw/zinc/11/91/63/537119163.db2.gz XMWFMPCICJBVPT-CQSZACIVSA-N 1 0 345.418 2.917 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)CC2(O)CCOCC2)c(C(F)(F)F)c1 ZINC000280655306 545656353 /nfs/dbraw/zinc/65/63/53/545656353.db2.gz SMSZIRFBGPCSRI-UHFFFAOYSA-N 1 0 346.393 2.745 20 10 EFCDRO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000339285679 545926967 /nfs/dbraw/zinc/92/69/67/545926967.db2.gz SDYZOEQKKFUHFO-HNNXBMFYSA-N 1 0 331.460 2.743 20 10 EFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccccc1C[NH+](C)C ZINC000683378433 549890452 /nfs/dbraw/zinc/89/04/52/549890452.db2.gz LTGOYJMDZOOORT-UHFFFAOYSA-N 1 0 339.439 2.853 20 10 EFCDRO C[C@@](CO)([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000754048342 575380035 /nfs/dbraw/zinc/38/00/35/575380035.db2.gz PZPVZGAPNBEHNG-SFHVURJKSA-N 1 0 333.432 2.836 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000754375999 575427154 /nfs/dbraw/zinc/42/71/54/575427154.db2.gz QCNJUTGUNMOCKG-QAPCUYQASA-N 1 0 332.492 2.543 20 10 EFCDRO C[C@H]1C[C@H]([NH2+]CCc2nnc3ccccn32)c2c1c(F)ccc2O ZINC000756365137 575723772 /nfs/dbraw/zinc/72/37/72/575723772.db2.gz XHQJYCOFBVUGNV-AAEUAGOBSA-N 1 0 326.375 2.955 20 10 EFCDRO CCC[C@@H](C)C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000756387804 575728341 /nfs/dbraw/zinc/72/83/41/575728341.db2.gz MISLJKKWUCKPMS-APWZRJJASA-N 1 0 347.503 2.808 20 10 EFCDRO CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756407590 575732519 /nfs/dbraw/zinc/73/25/19/575732519.db2.gz BKXKUHSGKIEQNT-AWEZNQCLSA-N 1 0 341.446 2.739 20 10 EFCDRO CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756407591 575732557 /nfs/dbraw/zinc/73/25/57/575732557.db2.gz BKXKUHSGKIEQNT-CQSZACIVSA-N 1 0 341.446 2.739 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1cc(Cl)ccc1O ZINC000756429780 575737814 /nfs/dbraw/zinc/73/78/14/575737814.db2.gz FBPCMNMXAACYAS-NSHDSACASA-N 1 0 329.791 2.872 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000756435128 575738894 /nfs/dbraw/zinc/73/88/94/575738894.db2.gz WJQIHTPIRYQYBF-GJZGRUSLSA-N 1 0 334.460 2.951 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COc2cccc(F)c2)c1 ZINC000756462100 575742857 /nfs/dbraw/zinc/74/28/57/575742857.db2.gz YXMLHFDQKSEODT-GXTWGEPZSA-N 1 0 335.375 2.630 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COc2cccc(F)c2)c1 ZINC000756462106 575743058 /nfs/dbraw/zinc/74/30/58/575743058.db2.gz YXMLHFDQKSEODT-TZMCWYRMSA-N 1 0 335.375 2.630 20 10 EFCDRO C[C@H]1C[C@H]([NH2+]CC(=O)NCc2ccccc2)c2c1c(F)ccc2O ZINC000756477454 575745793 /nfs/dbraw/zinc/74/57/93/575745793.db2.gz ZHTNFEJBLMEQLT-WFASDCNBSA-N 1 0 328.387 2.986 20 10 EFCDRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000756516865 575753069 /nfs/dbraw/zinc/75/30/69/575753069.db2.gz UAMNTKOASGXPGF-AWEZNQCLSA-N 1 0 331.437 2.574 20 10 EFCDRO C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc(Br)ccc1O ZINC000756533045 575756280 /nfs/dbraw/zinc/75/62/80/575756280.db2.gz HNYJTIQITCEFIR-NWDGAFQWSA-N 1 0 343.265 2.526 20 10 EFCDRO C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1cc(Br)ccc1O ZINC000756561318 575762507 /nfs/dbraw/zinc/76/25/07/575762507.db2.gz ARINEWBTOQSZDU-VXGBXAGGSA-N 1 0 344.249 2.858 20 10 EFCDRO C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(Br)ccc1O ZINC000756561317 575762587 /nfs/dbraw/zinc/76/25/87/575762587.db2.gz ARINEWBTOQSZDU-RYUDHWBXSA-N 1 0 344.249 2.858 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000756572653 575764400 /nfs/dbraw/zinc/76/44/00/575764400.db2.gz HHUNFOKVOBCANN-WMLDXEAASA-N 1 0 334.460 2.695 20 10 EFCDRO C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756587045 575765608 /nfs/dbraw/zinc/76/56/08/575765608.db2.gz YJCLEEFSTYCNJA-QWHCGFSZSA-N 1 0 340.414 2.822 20 10 EFCDRO C[C@H]([NH2+]CC(=O)NC1CCCC1)c1ccc(Br)cc1O ZINC000756704051 575779107 /nfs/dbraw/zinc/77/91/07/575779107.db2.gz DWYRJHKJIGMHRP-JTQLQIEISA-N 1 0 341.249 2.864 20 10 EFCDRO COCCOC[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756731438 575781914 /nfs/dbraw/zinc/78/19/14/575781914.db2.gz AKRMQSPXKMSZBL-QWRGUYRKSA-N 1 0 332.238 2.857 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c1 ZINC000756741501 575783121 /nfs/dbraw/zinc/78/31/21/575783121.db2.gz FXZPGONBKQFUDV-CYBMUJFWSA-N 1 0 331.437 2.881 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000756770057 575785421 /nfs/dbraw/zinc/78/54/21/575785421.db2.gz ISZYXRJULOMXMZ-ZBQZNYHESA-N 1 0 331.412 2.536 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000756770055 575785521 /nfs/dbraw/zinc/78/55/21/575785521.db2.gz ISZYXRJULOMXMZ-OHNRDTAOSA-N 1 0 331.412 2.536 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NCC3)c1 ZINC000757661006 575848333 /nfs/dbraw/zinc/84/83/33/575848333.db2.gz LZPZLFKRGVWAEH-LBPRGKRZSA-N 1 0 326.396 2.538 20 10 EFCDRO Cc1cc(O)c(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)cc1C ZINC000757693624 575850123 /nfs/dbraw/zinc/85/01/23/575850123.db2.gz LSXVTEBNPWNOAL-UHFFFAOYSA-N 1 0 331.437 2.629 20 10 EFCDRO C[C@H]([NH2+]C1COC(C)(C)OC1)c1cc(Br)ccc1O ZINC000757698820 575850439 /nfs/dbraw/zinc/85/04/39/575850439.db2.gz SVBAIMPURCVQQT-VIFPVBQESA-N 1 0 330.222 2.957 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]CCC[C@@H](C)CO)c1O ZINC000758577375 575873257 /nfs/dbraw/zinc/87/32/57/575873257.db2.gz DXRPSRWWRMTWCO-SNVBAGLBSA-N 1 0 332.238 2.662 20 10 EFCDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000758591468 575873547 /nfs/dbraw/zinc/87/35/47/575873547.db2.gz BPMPBNDMLMTSLZ-ZDUSSCGKSA-N 1 0 342.534 2.655 20 10 EFCDRO O=C(NCCCSc1nccs1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000759554103 575899805 /nfs/dbraw/zinc/89/98/05/575899805.db2.gz JFPOWLHFYUFIMS-QWHCGFSZSA-N 1 0 340.518 2.551 20 10 EFCDRO O=C(NCCCSc1nccs1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000759561163 575901033 /nfs/dbraw/zinc/90/10/33/575901033.db2.gz CSIRFYNGGAOBSO-QWHCGFSZSA-N 1 0 340.518 2.551 20 10 EFCDRO COC(=O)C1=C(C)O[C@H](C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000759846007 575945011 /nfs/dbraw/zinc/94/50/11/575945011.db2.gz SAVRBJMRZGGIQG-SFHVURJKSA-N 1 0 344.455 2.953 20 10 EFCDRO C[NH+]1CCC(CNC(=S)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000760477352 576030362 /nfs/dbraw/zinc/03/03/62/576030362.db2.gz YVIOFBWXIFCZBQ-UHFFFAOYSA-N 1 0 346.544 2.593 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1C(C)C ZINC000760549045 576043530 /nfs/dbraw/zinc/04/35/30/576043530.db2.gz HFUMXHHJKQEGLZ-MRXNPFEDSA-N 1 0 331.460 2.860 20 10 EFCDRO C[NH+](C)C[C@@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2ccccc2O1 ZINC000760823398 576077940 /nfs/dbraw/zinc/07/79/40/576077940.db2.gz UVFYPKJRISRAFY-XITLMJRVSA-N 1 0 341.386 2.590 20 10 EFCDRO O=S1(=O)CC[C@H](CC[N@@H+](Cc2ccccc2O)C2CCCC2)C1 ZINC000760839283 576079827 /nfs/dbraw/zinc/07/98/27/576079827.db2.gz CBCWQBYAQPZUSP-HNNXBMFYSA-N 1 0 337.485 2.962 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1F ZINC000761230407 576133598 /nfs/dbraw/zinc/13/35/98/576133598.db2.gz XHYHTGCXTUJOLU-INIZCTEOSA-N 1 0 348.466 2.708 20 10 EFCDRO Cc1cnc(C2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)s1 ZINC000762167983 576268590 /nfs/dbraw/zinc/26/85/90/576268590.db2.gz FKGSSMQUPQGDDC-INIZCTEOSA-N 1 0 346.452 2.963 20 10 EFCDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000763606750 576382620 /nfs/dbraw/zinc/38/26/20/576382620.db2.gz PCPUJRQKZVESHX-QGZVFWFLSA-N 1 0 335.467 2.578 20 10 EFCDRO C[C@@H]1[C@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC[N@@H+]1C ZINC000763987106 576418804 /nfs/dbraw/zinc/41/88/04/576418804.db2.gz NQKFJUQIAYUCGK-VQIMIIECSA-N 1 0 329.488 2.976 20 10 EFCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(-n3cncn3)nc2)cc1 ZINC000764958169 576528869 /nfs/dbraw/zinc/52/88/69/576528869.db2.gz SLTXLATWQREKSQ-HNNXBMFYSA-N 1 0 336.443 2.969 20 10 EFCDRO COC[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 ZINC000765128956 577009958 /nfs/dbraw/zinc/00/99/58/577009958.db2.gz YXCXSVXDRSHJDW-IYOUNJFTSA-N 1 0 336.451 2.954 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccoc1 ZINC000765252892 577023330 /nfs/dbraw/zinc/02/33/30/577023330.db2.gz JWBPNUJHADBPSR-GOEBONIOSA-N 1 0 327.428 2.832 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccco1 ZINC000765254560 577023507 /nfs/dbraw/zinc/02/35/07/577023507.db2.gz NMVRLGAOIZCDTK-GOEBONIOSA-N 1 0 327.428 2.832 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccco1 ZINC000765254563 577023640 /nfs/dbraw/zinc/02/36/40/577023640.db2.gz NMVRLGAOIZCDTK-ZBFHGGJFSA-N 1 0 327.428 2.832 20 10 EFCDRO C[C@H]([NH2+]Cc1cnn(C)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000765289626 577027990 /nfs/dbraw/zinc/02/79/90/577027990.db2.gz CCXGKQRXKUSJFI-ZDUSSCGKSA-N 1 0 334.851 2.761 20 10 EFCDRO CC[C@@H]1CCC[C@H]1[NH2+]CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000765403095 577038572 /nfs/dbraw/zinc/03/85/72/577038572.db2.gz QYHABHFPEKCZPW-YLJYHZDGSA-N 1 0 331.504 2.986 20 10 EFCDRO CC[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000765406934 577038912 /nfs/dbraw/zinc/03/89/12/577038912.db2.gz BGKLSRDKGCLIHS-MRXNPFEDSA-N 1 0 341.521 2.511 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NC1CCCC1 ZINC000765422602 577040757 /nfs/dbraw/zinc/04/07/57/577040757.db2.gz AJYJHMFGLCTADD-JKSUJKDBSA-N 1 0 345.487 2.621 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H](C)Cc3cnccn3)CC2)cc1 ZINC000765444200 577042927 /nfs/dbraw/zinc/04/29/27/577042927.db2.gz XGHFAGQBRXTCEJ-HNNXBMFYSA-N 1 0 326.444 2.675 20 10 EFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H]1C ZINC000765717942 577070393 /nfs/dbraw/zinc/07/03/93/577070393.db2.gz MEXQDRPIGLSYKR-IRXDYDNUSA-N 1 0 342.487 2.687 20 10 EFCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)N(C)C ZINC000765774312 577075255 /nfs/dbraw/zinc/07/52/55/577075255.db2.gz IMPOMZAKLSLWRH-KBPBESRZSA-N 1 0 325.884 2.777 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H](CO)Cc3ccccc3)CC2)cc1 ZINC000766030298 577100016 /nfs/dbraw/zinc/10/00/16/577100016.db2.gz DTQVUXUYOJZZSR-IBGZPJMESA-N 1 0 340.467 2.857 20 10 EFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@H]1C ZINC000766250914 577127126 /nfs/dbraw/zinc/12/71/26/577127126.db2.gz LUWPDQXVVGKYEA-CVEARBPZSA-N 1 0 344.503 2.693 20 10 EFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000766252645 577127660 /nfs/dbraw/zinc/12/76/60/577127660.db2.gz RLZAFHBNCXKEBG-KGLIPLIRSA-N 1 0 336.455 2.516 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(C)(CC)CC1)cc2=O ZINC000725803261 577229710 /nfs/dbraw/zinc/22/97/10/577229710.db2.gz BFYOWOKRNXPTLN-UHFFFAOYSA-N 1 0 346.431 2.624 20 10 EFCDRO CCOc1ccc(C[NH2+]CC2(N3CCOCC3)CCCCC2)c(O)c1 ZINC000725841553 577243762 /nfs/dbraw/zinc/24/37/62/577243762.db2.gz NFYBQZLAQJYPGC-UHFFFAOYSA-N 1 0 348.487 2.916 20 10 EFCDRO CCOc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c(O)c1 ZINC000725846277 577247046 /nfs/dbraw/zinc/24/70/46/577247046.db2.gz BKRKLQJYIXCYOZ-OAHLLOKOSA-N 1 0 333.403 2.871 20 10 EFCDRO COc1cccc(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)c1O ZINC000725848340 577248411 /nfs/dbraw/zinc/24/84/11/577248411.db2.gz QGHPAMGBGLIUDO-UHFFFAOYSA-N 1 0 340.423 2.927 20 10 EFCDRO Oc1cc2c(cc1C[NH2+]CCN1CCCc3ccccc31)OCO2 ZINC000725849493 577249730 /nfs/dbraw/zinc/24/97/30/577249730.db2.gz OTIKZJISKJXSGC-UHFFFAOYSA-N 1 0 326.396 2.663 20 10 EFCDRO COc1cc(Br)cc(C[NH+]2CCC(OC)CC2)c1O ZINC000768215827 577261302 /nfs/dbraw/zinc/26/13/02/577261302.db2.gz MWMIPINAINMFEJ-UHFFFAOYSA-N 1 0 330.222 2.774 20 10 EFCDRO COc1cc(Br)cc(C[NH+]2CCC(CCO)CC2)c1O ZINC000768238522 577262390 /nfs/dbraw/zinc/26/23/90/577262390.db2.gz ZZSBAFWVJJYAQH-UHFFFAOYSA-N 1 0 344.249 2.758 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c(O)c1 ZINC000768249680 577262901 /nfs/dbraw/zinc/26/29/01/577262901.db2.gz ZOOOJOIVTLXRDJ-QGZVFWFLSA-N 1 0 344.411 2.665 20 10 EFCDRO COc1cccc(O)c1CN1CC[NH+](CCc2cccs2)CC1 ZINC000768357558 577268179 /nfs/dbraw/zinc/26/81/79/577268179.db2.gz NPNFQOSODKMTOF-UHFFFAOYSA-N 1 0 332.469 2.823 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000768392573 577270947 /nfs/dbraw/zinc/27/09/47/577270947.db2.gz SDSZSYJQCQYSPN-UHFFFAOYSA-N 1 0 330.476 2.522 20 10 EFCDRO COc1ccccc1C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1CC1 ZINC000768440129 577273743 /nfs/dbraw/zinc/27/37/43/577273743.db2.gz OIYDFGOBGBSOSY-GOSISDBHSA-N 1 0 341.407 2.991 20 10 EFCDRO COc1ccc([C@H]2CC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)cc1 ZINC000768444724 577274121 /nfs/dbraw/zinc/27/41/21/577274121.db2.gz NVCZIHITRSMBDF-LIRRHRJNSA-N 1 0 341.407 2.816 20 10 EFCDRO Oc1cc2c(cc1C[NH+]1CCC(OC3CCCC3)CC1)[C@@H](O)CO2 ZINC000768445168 577274446 /nfs/dbraw/zinc/27/44/46/577274446.db2.gz QIJJDNKQHGAGRT-SFHVURJKSA-N 1 0 333.428 2.742 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](c3ccc(F)cc3)C1)[C@H](O)CO2 ZINC000768463406 577276043 /nfs/dbraw/zinc/27/60/43/577276043.db2.gz IEYYJCNZIHRDNK-SCLBCKFNSA-N 1 0 329.371 2.947 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000768523137 577280297 /nfs/dbraw/zinc/28/02/97/577280297.db2.gz CAAVEHGOAOUSTQ-UHFFFAOYSA-N 1 0 340.423 2.749 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)cc1 ZINC000768781192 577301591 /nfs/dbraw/zinc/30/15/91/577301591.db2.gz OTMXYWOHSGMTIY-UHFFFAOYSA-N 1 0 343.393 2.643 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000768916151 577316094 /nfs/dbraw/zinc/31/60/94/577316094.db2.gz SZLBVSKDZOMISM-UHFFFAOYSA-N 1 0 346.471 2.871 20 10 EFCDRO Fc1cc(CN2CCC[C@@H]2C[NH+]2CCCC2)ccc1N1CCOCC1 ZINC000769143529 577338726 /nfs/dbraw/zinc/33/87/26/577338726.db2.gz CEAVJHGKJMOELI-GOSISDBHSA-N 1 0 347.478 2.723 20 10 EFCDRO c1cn([C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)cn1 ZINC000769310670 577351196 /nfs/dbraw/zinc/35/11/96/577351196.db2.gz IYNSLQJAINJBOZ-LJQANCHMSA-N 1 0 326.444 2.557 20 10 EFCDRO CC(C)(CO)N1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000769445297 577362851 /nfs/dbraw/zinc/36/28/51/577362851.db2.gz GHDJHYANBFVGPW-UHFFFAOYSA-N 1 0 340.467 2.948 20 10 EFCDRO CCC1(O)CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000769485747 577366389 /nfs/dbraw/zinc/36/63/89/577366389.db2.gz OUJMEFRRUFPBHD-UHFFFAOYSA-N 1 0 344.249 2.900 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC(N(C)CC(F)F)CC2)c1O ZINC000769508074 577368494 /nfs/dbraw/zinc/36/84/94/577368494.db2.gz CZUOFNKGWIKTCG-UHFFFAOYSA-N 1 0 328.403 2.952 20 10 EFCDRO Fc1cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)ccc1N1CCOCC1 ZINC000769519316 577369761 /nfs/dbraw/zinc/36/97/61/577369761.db2.gz QLMSYYQLUMXIEL-GOSISDBHSA-N 1 0 348.462 2.911 20 10 EFCDRO CCc1nsc(N2CCC[N@H+](Cc3c(O)cccc3OC)CC2)n1 ZINC000769549414 577371972 /nfs/dbraw/zinc/37/19/72/577371972.db2.gz RCEVBEJFVQDBIW-UHFFFAOYSA-N 1 0 348.472 2.527 20 10 EFCDRO COc1ccc(N2CCC(NC(=O)c3cc(C4CC4)n[nH]3)CC2)cc1 ZINC000726563305 577374014 /nfs/dbraw/zinc/37/40/14/577374014.db2.gz FWKMSHRCKKVHDK-UHFFFAOYSA-N 1 0 340.427 2.695 20 10 EFCDRO COc1ccc(N2CCC(NC(=O)CCc3nccs3)CC2)cc1 ZINC000726562699 577374040 /nfs/dbraw/zinc/37/40/40/577374040.db2.gz OMFGBYDWPHLLLH-UHFFFAOYSA-N 1 0 345.468 2.870 20 10 EFCDRO COc1ccc(N2CCC(NC(=O)CC[C@@H]3CCCO3)CC2)cc1 ZINC000726564047 577374134 /nfs/dbraw/zinc/37/41/34/577374134.db2.gz YYYVCQYVLOWIFM-SFHVURJKSA-N 1 0 332.444 2.739 20 10 EFCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000770381843 577414082 /nfs/dbraw/zinc/41/40/82/577414082.db2.gz QECQYWMHKPDKIM-YJBOKZPZSA-N 1 0 333.432 2.788 20 10 EFCDRO Cc1ccc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c(O)c1O ZINC000770469964 577420227 /nfs/dbraw/zinc/42/02/27/577420227.db2.gz ZCLKRHJEQGLAEY-KRWDZBQOSA-N 1 0 340.423 2.973 20 10 EFCDRO C[C@@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000770621894 581117534 /nfs/dbraw/zinc/11/75/34/581117534.db2.gz MUEVAKVKUNCOGH-OAHLLOKOSA-N 1 0 344.503 2.987 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000770621041 581117536 /nfs/dbraw/zinc/11/75/36/581117536.db2.gz ANPZIDJYIFYBTO-UHFFFAOYSA-N 1 0 344.503 2.735 20 10 EFCDRO Oc1cc2c(cc1C[NH+]1CCC(Cc3cccnc3)CC1)[C@H](O)CO2 ZINC000770663774 581122682 /nfs/dbraw/zinc/12/26/82/581122682.db2.gz DXDMNAHCXTUYQI-LJQANCHMSA-N 1 0 340.423 2.668 20 10 EFCDRO C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000771512106 581219809 /nfs/dbraw/zinc/21/98/09/581219809.db2.gz XUWGCDJRCBWJIA-HDMKGLSNSA-N 1 0 340.423 2.919 20 10 EFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773293835 581415116 /nfs/dbraw/zinc/41/51/16/581415116.db2.gz AFAIBQCAXZTEGO-MAUKXSAKSA-N 1 0 332.492 2.987 20 10 EFCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773369233 581423740 /nfs/dbraw/zinc/42/37/40/581423740.db2.gz CKZAHQUDDRKURG-CVEARBPZSA-N 1 0 332.492 2.845 20 10 EFCDRO C[C@H](NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773394548 581426367 /nfs/dbraw/zinc/42/63/67/581426367.db2.gz ZXHMKSDOVIOZTA-DEYYWGMASA-N 1 0 330.476 2.596 20 10 EFCDRO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773610657 581450366 /nfs/dbraw/zinc/45/03/66/581450366.db2.gz FLWFQNRJVYBYEN-CVEARBPZSA-N 1 0 332.492 2.845 20 10 EFCDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)cc1 ZINC000773748922 581460980 /nfs/dbraw/zinc/46/09/80/581460980.db2.gz GEEDEPBFDDHNEM-WMZOPIPTSA-N 1 0 347.503 2.506 20 10 EFCDRO CCN(C)c1ccc(C[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000773757881 581462065 /nfs/dbraw/zinc/46/20/65/581462065.db2.gz QZAFLKQWFHZJLR-OAHLLOKOSA-N 1 0 343.393 2.738 20 10 EFCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1 ZINC000773825011 581466315 /nfs/dbraw/zinc/46/63/15/581466315.db2.gz WBMCDUXJDWYGBC-VQTJNVASSA-N 1 0 342.487 2.964 20 10 EFCDRO CCN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC000773887145 581472155 /nfs/dbraw/zinc/47/21/55/581472155.db2.gz BNJCANAHGYUEMZ-WOJBJXKFSA-N 1 0 331.504 2.876 20 10 EFCDRO C[C@H](NC(=S)NCC1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000774251584 581488068 /nfs/dbraw/zinc/48/80/68/581488068.db2.gz AMLDSHUNXVVCNI-AWEZNQCLSA-N 1 0 334.533 2.620 20 10 EFCDRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000774487325 581492589 /nfs/dbraw/zinc/49/25/89/581492589.db2.gz ZDFOCOFONAJFOO-TZMCWYRMSA-N 1 0 343.475 2.781 20 10 EFCDRO C[C@H]([NH2+][C@H](Cc1ccc(F)cc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774483797 581492601 /nfs/dbraw/zinc/49/26/01/581492601.db2.gz LZNZSFMPELZSDY-SCLBCKFNSA-N 1 0 329.419 2.639 20 10 EFCDRO COc1c(O)c(C[NH2+]Cc2cccnc2OC(C)C)ccc1[N+](=O)[O-] ZINC000774943220 581504827 /nfs/dbraw/zinc/50/48/27/581504827.db2.gz YEOWQTMVDUBGAC-UHFFFAOYSA-N 1 0 347.371 2.781 20 10 EFCDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c(O)c1 ZINC000736643090 598274958 /nfs/dbraw/zinc/27/49/58/598274958.db2.gz CXFJSNFTTQRUPJ-GFCCVEGCSA-N 1 0 339.399 2.822 20 10 EFCDRO COc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1-c1nn[nH]n1 ZINC000826202825 607567941 /nfs/dbraw/zinc/56/79/41/607567941.db2.gz OSJXSJQFVMUZBZ-UHFFFAOYSA-N 1 0 345.790 2.524 20 10 EFCDRO CCOc1ccc(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c(O)c1 ZINC000825639644 608521079 /nfs/dbraw/zinc/52/10/79/608521079.db2.gz ZVPYVCWWSQAUFF-UHFFFAOYSA-N 1 0 339.399 2.603 20 10 EFCDRO CC[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1ccccc1O ZINC000825139392 608522565 /nfs/dbraw/zinc/52/25/65/608522565.db2.gz FTSUTTWLGWNYMO-OAHLLOKOSA-N 1 0 327.363 2.952 20 10 EFCDRO CCOc1cccc(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)c1O ZINC000825649450 608525788 /nfs/dbraw/zinc/52/57/88/608525788.db2.gz QAZDOKSHFSVWSY-UHFFFAOYSA-N 1 0 339.399 2.603 20 10 EFCDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1c(O)ccc3ccncc31)CC2 ZINC000733791545 1265420262 /nfs/dbraw/zinc/42/02/62/1265420262.db2.gz PEHCQWWDTHNLCH-INIZCTEOSA-N 1 0 326.396 2.716 20 10 EFCDRO COc1cc(C[NH2+]CCN2CCOC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850120697 1250291907 /nfs/dbraw/zinc/29/19/07/1250291907.db2.gz ZHEIAOPDERZPCA-CQSZACIVSA-N 1 0 336.476 2.509 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3cnc4n3CCC4)CC2)cc1 ZINC000850116246 1250293061 /nfs/dbraw/zinc/29/30/61/1250293061.db2.gz MSVGQUKOLPIZRO-UHFFFAOYSA-N 1 0 326.444 2.597 20 10 EFCDRO Cc1ncc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1C ZINC000850137157 1250309342 /nfs/dbraw/zinc/30/93/42/1250309342.db2.gz KTTHVTDFYIDJHS-MRXNPFEDSA-N 1 0 348.878 2.842 20 10 EFCDRO COc1cc(C[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000850149996 1250315731 /nfs/dbraw/zinc/31/57/31/1250315731.db2.gz BPQQDGWNNPAFKP-CQSZACIVSA-N 1 0 334.460 2.797 20 10 EFCDRO CC[C@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3cc(F)ccc3O)C2)C1=O ZINC001273283915 1265475389 /nfs/dbraw/zinc/47/53/89/1265475389.db2.gz CBXSCKKUKJZJKH-DJJJIMSYSA-N 1 0 348.418 2.671 20 10 EFCDRO O=C1N(CC(F)F)CCC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001273284070 1265475812 /nfs/dbraw/zinc/47/58/12/1265475812.db2.gz DRXHCYCYYKNJOO-UHFFFAOYSA-N 1 0 342.361 2.611 20 10 EFCDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850246148 1250373566 /nfs/dbraw/zinc/37/35/66/1250373566.db2.gz GFLLUBQZGUYOLB-IRXDYDNUSA-N 1 0 337.460 2.982 20 10 EFCDRO COc1cc(C[NH2+]CC(C)(C)OCCO)c(O)c(C(C)(C)C)c1 ZINC000850301688 1250411054 /nfs/dbraw/zinc/41/10/54/1250411054.db2.gz HYOGUIHAXBMMAF-UHFFFAOYSA-N 1 0 325.449 2.575 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccnn3CC3CC3)C2)cc1 ZINC000850329928 1250433590 /nfs/dbraw/zinc/43/35/90/1250433590.db2.gz GJQLAENKCQPESG-QGZVFWFLSA-N 1 0 340.471 2.918 20 10 EFCDRO CCN1C[C@H](C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CC1=O ZINC000850339413 1250439087 /nfs/dbraw/zinc/43/90/87/1250439087.db2.gz RQHILHTVQNXFBB-ZDUSSCGKSA-N 1 0 334.460 2.656 20 10 EFCDRO C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850386971 1250457369 /nfs/dbraw/zinc/45/73/69/1250457369.db2.gz NPGRTABEBNBGIH-SFHVURJKSA-N 1 0 331.504 2.733 20 10 EFCDRO CCCN1CC[C@@H]([NH2+]Cc2cc(Br)cc(OC)c2O)C1 ZINC000850395831 1250464921 /nfs/dbraw/zinc/46/49/21/1250464921.db2.gz ZRBGFQSOCUPQNY-CYBMUJFWSA-N 1 0 343.265 2.737 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc4[nH]cnc4c3)cc2)CC1 ZINC000850406016 1250468254 /nfs/dbraw/zinc/46/82/54/1250468254.db2.gz OIYBEHLCHXNKFY-UHFFFAOYSA-N 1 0 336.439 2.814 20 10 EFCDRO CC(C)(C)n1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000850405931 1250468482 /nfs/dbraw/zinc/46/84/82/1250468482.db2.gz KUQKXGOBATXAPQ-UHFFFAOYSA-N 1 0 342.487 2.889 20 10 EFCDRO CC(C)n1cncc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406871 1250470123 /nfs/dbraw/zinc/47/01/23/1250470123.db2.gz XGVLBAGCDOYXKD-UHFFFAOYSA-N 1 0 328.460 2.715 20 10 EFCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(N3CCCNC3=O)cc2)c1 ZINC000850413065 1250471043 /nfs/dbraw/zinc/47/10/43/1250471043.db2.gz GEWZXZKHFZVOOQ-UHFFFAOYSA-N 1 0 325.412 2.910 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCCn4nccc43)C2)cc1 ZINC000850474700 1250497071 /nfs/dbraw/zinc/49/70/71/1250497071.db2.gz RDCJDMYTTZLYPJ-YJBOKZPZSA-N 1 0 326.444 2.843 20 10 EFCDRO Fc1cc(C[NH2+][C@@H]2CCCn3nccc32)cc(F)c1N1CCOCC1 ZINC000850473111 1250497333 /nfs/dbraw/zinc/49/73/33/1250497333.db2.gz CCELARZRYKLNPF-MRXNPFEDSA-N 1 0 348.397 2.623 20 10 EFCDRO COc1ccc(N2C[C@H]([NH2+][C@@H](C)c3ccccc3O)CC2=O)cc1 ZINC000850516036 1250519893 /nfs/dbraw/zinc/51/98/93/1250519893.db2.gz QWGHYBLOCDCPTH-UONOGXRCSA-N 1 0 326.396 2.857 20 10 EFCDRO COC(=O)N(C)CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000850547385 1250529354 /nfs/dbraw/zinc/52/93/54/1250529354.db2.gz FKBVLIRNFDCINY-SECBINFHSA-N 1 0 331.210 2.504 20 10 EFCDRO CCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000850556055 1250534892 /nfs/dbraw/zinc/53/48/92/1250534892.db2.gz QJFJHZHCJFISHZ-NVXWUHKLSA-N 1 0 335.467 2.797 20 10 EFCDRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565734 1250539051 /nfs/dbraw/zinc/53/90/51/1250539051.db2.gz HSZCPBLHZWNBMD-IBGZPJMESA-N 1 0 340.471 2.548 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cc2)CC1 ZINC000850566460 1250539181 /nfs/dbraw/zinc/53/91/81/1250539181.db2.gz NUJJJEYNZCUFJR-AQNXPRMDSA-N 1 0 342.483 2.695 20 10 EFCDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C12CCC2 ZINC000850567747 1250540618 /nfs/dbraw/zinc/54/06/18/1250540618.db2.gz IGZMMOIOPCQEFF-RTBURBONSA-N 1 0 330.472 2.695 20 10 EFCDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n(C)n1 ZINC000850567978 1250541142 /nfs/dbraw/zinc/54/11/42/1250541142.db2.gz NCEHQXILEMPLDL-HNNXBMFYSA-N 1 0 328.460 2.540 20 10 EFCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000850568001 1250541503 /nfs/dbraw/zinc/54/15/03/1250541503.db2.gz NUEZYVKRLRDTOV-MDASCCDHSA-N 1 0 332.488 2.797 20 10 EFCDRO [NH3+]C1(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)CCCC1 ZINC000851671148 1251195416 /nfs/dbraw/zinc/19/54/16/1251195416.db2.gz HFDQAKAJWMTDDH-UHFFFAOYSA-N 1 0 343.427 2.969 20 10 EFCDRO C[NH2+]C[C@@H](C)NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000851681538 1251207673 /nfs/dbraw/zinc/20/76/73/1251207673.db2.gz OVWPGZOFKVPFSA-OAHLLOKOSA-N 1 0 344.459 2.665 20 10 EFCDRO COc1ccc(N2CCC[N@H+](Cc3cc(C)nc(C)n3)CC2)cc1 ZINC000851733359 1251232623 /nfs/dbraw/zinc/23/26/23/1251232623.db2.gz SLGLQKKDIMRSBR-UHFFFAOYSA-N 1 0 326.444 2.814 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H]3C[C@H]3C)CC2(C)C)cc1C ZINC000996129745 1255032611 /nfs/dbraw/zinc/03/26/11/1255032611.db2.gz DDMJCOJRPNUJIY-QBIMZIAESA-N 1 0 330.472 2.986 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3cc(F)c[nH]3)CC2)cc1C ZINC000996810886 1256146015 /nfs/dbraw/zinc/14/60/15/1256146015.db2.gz AEYSRNAPLJNUNR-UHFFFAOYSA-N 1 0 345.418 2.865 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cccc(F)c2C)cc1C ZINC001127828037 1256429701 /nfs/dbraw/zinc/42/97/01/1256429701.db2.gz ACUWYVWCPOJEFM-UHFFFAOYSA-N 1 0 330.403 2.971 20 10 EFCDRO c1ncn(Cc2ccc(C[NH2+]Cc3ccc4c(c3)CCCO4)cc2)n1 ZINC000921518597 1256888580 /nfs/dbraw/zinc/88/85/80/1256888580.db2.gz IEZCAJSQADUJGZ-UHFFFAOYSA-N 1 0 334.423 2.941 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCO[C@@H]3C)CC2)cc1C ZINC000997122806 1256984741 /nfs/dbraw/zinc/98/47/41/1256984741.db2.gz DTTMDQPSNQZGTL-CRAIPNDOSA-N 1 0 346.471 2.509 20 10 EFCDRO FC(F)(F)CN1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921547776 1257214035 /nfs/dbraw/zinc/21/40/35/1257214035.db2.gz NMFJOVSJBDJCPR-AWEZNQCLSA-N 1 0 328.378 2.985 20 10 EFCDRO Fc1cc(C[NH2+]Cc2cnn(C3CCC3)c2)ccc1N1CCOCC1 ZINC000921552015 1257252145 /nfs/dbraw/zinc/25/21/45/1257252145.db2.gz JDKQLUAAGWFEGS-UHFFFAOYSA-N 1 0 344.434 2.874 20 10 EFCDRO CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc(C)cc3O)C2)C1=O ZINC001272764981 1257678207 /nfs/dbraw/zinc/67/82/07/1257678207.db2.gz FKBNZWAPNFBGIN-MGPUTAFESA-N 1 0 344.455 2.840 20 10 EFCDRO CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3ccc(C)cc3O)C2)C1=O ZINC001272764982 1257678575 /nfs/dbraw/zinc/67/85/75/1257678575.db2.gz FKBNZWAPNFBGIN-QRWLVFNGSA-N 1 0 344.455 2.840 20 10 EFCDRO COc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)cc1C ZINC000997504410 1257799568 /nfs/dbraw/zinc/79/95/68/1257799568.db2.gz VRYAXFNVOWWCFN-KSSFIOAISA-N 1 0 330.472 2.988 20 10 EFCDRO COc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)cc1C ZINC000997504403 1257799576 /nfs/dbraw/zinc/79/95/76/1257799576.db2.gz VRYAXFNVOWWCFN-KBXCAEBGSA-N 1 0 330.472 2.988 20 10 EFCDRO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cc2c(cc1O)CCCC2 ZINC000186185410 1258080997 /nfs/dbraw/zinc/08/09/97/1258080997.db2.gz BEOOOCXAVNIRPF-CYBMUJFWSA-N 1 0 337.485 2.746 20 10 EFCDRO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC001203558489 1259248036 /nfs/dbraw/zinc/24/80/36/1259248036.db2.gz KGEUWTAMMQKPFN-UHFFFAOYSA-N 1 0 326.396 2.501 20 10 EFCDRO CCOc1cccc(C[NH2+][C@H](C)C2CCN(C(=O)OC)CC2)c1O ZINC000186367196 1259295376 /nfs/dbraw/zinc/29/53/76/1259295376.db2.gz UWKPJXOWMZPKGO-CYBMUJFWSA-N 1 0 336.432 2.747 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3ccncc3)C2)cc1C ZINC000998379682 1259478307 /nfs/dbraw/zinc/47/83/07/1259478307.db2.gz YPICVQLQPONIPQ-SFHVURJKSA-N 1 0 339.439 2.793 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3cccnc3)C2)cc1C ZINC000998403137 1259493805 /nfs/dbraw/zinc/49/38/05/1259493805.db2.gz MHXJDBHZSFAHJV-SFHVURJKSA-N 1 0 339.439 2.793 20 10 EFCDRO COCCCOCC[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000091026163 1259525368 /nfs/dbraw/zinc/52/53/68/1259525368.db2.gz GBASSSVDRZCBQK-UHFFFAOYSA-N 1 0 325.449 2.880 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3cc(C)no3)C2)cc1C ZINC000998443805 1259539924 /nfs/dbraw/zinc/53/99/24/1259539924.db2.gz UDNNEPKRENHSSD-UHFFFAOYSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3cc(C)on3)C2)cc1C ZINC000998474194 1259565834 /nfs/dbraw/zinc/56/58/34/1259565834.db2.gz JDTZWOPUAQDMFQ-MRXNPFEDSA-N 1 0 343.427 2.694 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3cc(C)no3)C2)cc1C ZINC000998534555 1259648620 /nfs/dbraw/zinc/64/86/20/1259648620.db2.gz JLOJRUJMHKQEGG-MRXNPFEDSA-N 1 0 343.427 2.694 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3coc(C)n3)C2)cc1C ZINC000998677579 1259818903 /nfs/dbraw/zinc/81/89/03/1259818903.db2.gz UHRKVODMACXUDI-UHFFFAOYSA-N 1 0 343.427 2.693 20 10 EFCDRO CC[C@@H](OC)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000998703515 1259844866 /nfs/dbraw/zinc/84/48/66/1259844866.db2.gz DBRCXMWYDXPLJN-DLBZAZTESA-N 1 0 334.460 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCOC3)C2)cc1C ZINC000998721023 1259864337 /nfs/dbraw/zinc/86/43/37/1259864337.db2.gz KOAWLIINIUTDOL-QZTJIDSGSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCCO3)C2)cc1C ZINC000998931234 1260093091 /nfs/dbraw/zinc/09/30/91/1260093091.db2.gz WMMQUPDQMGCYAK-PKOBYXMFSA-N 1 0 346.471 2.653 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCCO3)C2)cc1C ZINC000998931231 1260093194 /nfs/dbraw/zinc/09/31/94/1260093194.db2.gz WMMQUPDQMGCYAK-IEBWSBKVSA-N 1 0 346.471 2.653 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](OC)C3CC3)C2)cc1C ZINC000999045728 1260177423 /nfs/dbraw/zinc/17/74/23/1260177423.db2.gz KOSJUHJMLVIYGG-HKUYNNGSSA-N 1 0 346.471 2.509 20 10 EFCDRO [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC12CCOCC2 ZINC000843125205 1260614798 /nfs/dbraw/zinc/61/47/98/1260614798.db2.gz NZKLIBJAJWBBSP-LBPRGKRZSA-N 1 0 345.270 2.886 20 10 EFCDRO CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001272903348 1261296353 /nfs/dbraw/zinc/29/63/53/1261296353.db2.gz RCBHTNXTKZWAAX-IBGZPJMESA-N 1 0 332.444 2.855 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C3CCC3)CCCO2)cc1C ZINC001078312224 1261641514 /nfs/dbraw/zinc/64/15/14/1261641514.db2.gz WKXRTNBADNZPIX-SFHVURJKSA-N 1 0 346.471 2.511 20 10 EFCDRO CC(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001032810213 1261963111 /nfs/dbraw/zinc/96/31/11/1261963111.db2.gz WTMNTNPXNQSKCI-HOTGVXAUSA-N 1 0 343.431 2.794 20 10 EFCDRO CC(C)[NH2+][C@@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C12CCC2 ZINC001078823681 1262411835 /nfs/dbraw/zinc/41/18/35/1262411835.db2.gz RZNZYRQOCPQIHT-CABCVRRESA-N 1 0 343.431 2.888 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CC3)C[C@H]2C)cc1C ZINC001082797286 1263344297 /nfs/dbraw/zinc/34/42/97/1263344297.db2.gz NWMKICYAVGLNSB-ZWQIFLOQSA-N 1 0 342.483 2.986 20 10 EFCDRO O=C1[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCCN1CC(F)(F)F ZINC000921915632 1263371154 /nfs/dbraw/zinc/37/11/54/1263371154.db2.gz WBSVMFBLENWCSK-AWEZNQCLSA-N 1 0 342.361 2.655 20 10 EFCDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922015440 1264127108 /nfs/dbraw/zinc/12/71/08/1264127108.db2.gz SJWYSKMFLLHRGJ-AWEZNQCLSA-N 1 0 332.444 2.968 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc(C)nc(C)c2)cc1C ZINC001128297451 1264166607 /nfs/dbraw/zinc/16/66/07/1264166607.db2.gz DOQBEUFTMVITNG-UHFFFAOYSA-N 1 0 327.428 2.535 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@H](C)CCCCO)c1O ZINC000824654779 1278218061 /nfs/dbraw/zinc/21/80/61/1278218061.db2.gz QKNDDRAIGSQUKM-SNVBAGLBSA-N 1 0 332.238 2.804 20 10 EFCDRO C[C@H](NC(=O)NCc1cc(N(C)C)cc[nH+]1)c1ccc(N(C)C)cc1 ZINC000922053028 1264215232 /nfs/dbraw/zinc/21/52/32/1264215232.db2.gz APXTWENEJHVXKF-AWEZNQCLSA-N 1 0 341.459 2.774 20 10 EFCDRO Cc1cc(O)c(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)cc1Cl ZINC000824618760 1278225153 /nfs/dbraw/zinc/22/51/53/1278225153.db2.gz ZUEQXVWFRZZHQQ-OAHLLOKOSA-N 1 0 345.867 2.588 20 10 EFCDRO CS(=O)(=O)CC1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922151892 1264552207 /nfs/dbraw/zinc/55/22/07/1264552207.db2.gz VZPSJIYNEXBBSF-UHFFFAOYSA-N 1 0 337.485 2.705 20 10 EFCDRO O=C1N(CC2CCCC2)CC[C@]12CCC[N@H+]2Cc1ccc(O)cc1O ZINC001272988185 1264742747 /nfs/dbraw/zinc/74/27/47/1264742747.db2.gz NXANZYSVKSAHRZ-HXUWFJFHSA-N 1 0 344.455 2.855 20 10 EFCDRO Cn1ccnc1[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C(C)(C)CO ZINC000824673414 1278240043 /nfs/dbraw/zinc/24/00/43/1278240043.db2.gz SPBRBARJNOPOON-AWEZNQCLSA-N 1 0 341.814 2.768 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CCCO[C@H]1CCCCO1 ZINC000922228030 1265028563 /nfs/dbraw/zinc/02/85/63/1265028563.db2.gz BHQGHULTTLEHDK-IBGZPJMESA-N 1 0 334.460 2.546 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CC(=O)N2CCCc3ccccc32)cc1F ZINC000733325723 1265169767 /nfs/dbraw/zinc/16/97/67/1265169767.db2.gz QZAYXQDYOQYVJC-UHFFFAOYSA-N 1 0 341.430 2.961 20 10 EFCDRO Cc1cc(C[NH2+][C@H](C)CS(C)(=O)=O)c(C)n1-c1cccc(C)c1 ZINC000733328791 1265170977 /nfs/dbraw/zinc/17/09/77/1265170977.db2.gz CMRWIZXYGZXJQB-CQSZACIVSA-N 1 0 334.485 2.925 20 10 EFCDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000824701827 1278255405 /nfs/dbraw/zinc/25/54/05/1278255405.db2.gz CQYQRGJANCJHAD-MSOLQXFVSA-N 1 0 332.444 2.595 20 10 EFCDRO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]Cc1cc(C)ccc1O ZINC000922284492 1265283319 /nfs/dbraw/zinc/28/33/19/1265283319.db2.gz QBMXXOXSWSQDBX-AWEZNQCLSA-N 1 0 329.396 2.931 20 10 EFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000734532546 1267005931 /nfs/dbraw/zinc/00/59/31/1267005931.db2.gz OLXGCORXTQPMQR-GOSISDBHSA-N 1 0 332.492 2.735 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000734660205 1267058119 /nfs/dbraw/zinc/05/81/19/1267058119.db2.gz MNVHZYXROCKWQZ-INIZCTEOSA-N 1 0 346.519 2.982 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000734664080 1267067877 /nfs/dbraw/zinc/06/78/77/1267067877.db2.gz CXTRQOOWCBSXOT-QGZVFWFLSA-N 1 0 346.519 2.981 20 10 EFCDRO CC[NH+]1CCC(CNC(=O)NCc2ccc(N(C)C)cc2C)CC1 ZINC000734667024 1267069726 /nfs/dbraw/zinc/06/97/26/1267069726.db2.gz RPBYMVOGNPATNH-UHFFFAOYSA-N 1 0 332.492 2.592 20 10 EFCDRO CN1CC[C@@]2(CCC[N@H+](Cc3ccc4c(c3)CCCN4C)CC2)C1=O ZINC001273321384 1267227683 /nfs/dbraw/zinc/22/76/83/1267227683.db2.gz YFKUVFFHYYBEIM-OAQYLSRUSA-N 1 0 341.499 2.903 20 10 EFCDRO Oc1cc(Br)ccc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000824913435 1278341962 /nfs/dbraw/zinc/34/19/62/1278341962.db2.gz SLJKIFQEWLEVDA-OCCSQVGLSA-N 1 0 344.274 2.861 20 10 EFCDRO CCN1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CC1=O ZINC000824887309 1278347106 /nfs/dbraw/zinc/34/71/06/1278347106.db2.gz UKCQSYUSNWGDMR-QGZVFWFLSA-N 1 0 340.423 2.682 20 10 EFCDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccc(O)c1O ZINC000186799079 1267722600 /nfs/dbraw/zinc/72/26/00/1267722600.db2.gz BSIIZRSKFTVPBB-UHFFFAOYSA-N 1 0 328.412 2.870 20 10 EFCDRO C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H](C)[N@H+]1CCO ZINC000824925878 1278356145 /nfs/dbraw/zinc/35/61/45/1278356145.db2.gz HKLVDYBPAWXKGU-HDICACEKSA-N 1 0 331.504 2.564 20 10 EFCDRO Cc1cc(O)c(C[NH2+][C@@H](C)C(=O)NCCc2ccccc2)cc1C ZINC000825035937 1278391059 /nfs/dbraw/zinc/39/10/59/1278391059.db2.gz WWVWVNGWDOWXMW-INIZCTEOSA-N 1 0 326.440 2.846 20 10 EFCDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cccc(O)c1O ZINC000186932471 1268238965 /nfs/dbraw/zinc/23/89/65/1268238965.db2.gz SOPBEAQFYNVGIF-UHFFFAOYSA-N 1 0 328.412 2.868 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)cc1F ZINC000825045767 1278395540 /nfs/dbraw/zinc/39/55/40/1278395540.db2.gz KSZXBIJWYCMUPO-RDTXWAMCSA-N 1 0 332.423 2.635 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000825063435 1278402372 /nfs/dbraw/zinc/40/23/72/1278402372.db2.gz DSMHDLQIIJUVHV-QMMLZNLJSA-N 1 0 343.515 2.986 20 10 EFCDRO CC[C@@H]([NH2+]CCN1CCC(O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000825110135 1278414863 /nfs/dbraw/zinc/41/48/63/1278414863.db2.gz CHNGSLSRJOUBRP-OAHLLOKOSA-N 1 0 346.393 2.908 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](c2nnc[nH]2)c2ccccc2)cc1F ZINC000825124421 1278421180 /nfs/dbraw/zinc/42/11/80/1278421180.db2.gz PROMVQJSKPIZMK-MRXNPFEDSA-N 1 0 339.418 2.932 20 10 EFCDRO OCC[N@H+](Cc1cc(Br)ccc1O)C1CCSCC1 ZINC000825129979 1278422367 /nfs/dbraw/zinc/42/23/67/1278422367.db2.gz JCQOJMXIROITKG-UHFFFAOYSA-N 1 0 346.290 2.845 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]CCN2CCOC(C)(C)C2)cc1F ZINC000740003926 1268787435 /nfs/dbraw/zinc/78/74/35/1268787435.db2.gz CMIFJPLRKSFNLI-UHFFFAOYSA-N 1 0 337.483 2.872 20 10 EFCDRO Oc1ccccc1C[N@H+](CCOC[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000741248778 1269430230 /nfs/dbraw/zinc/43/02/30/1269430230.db2.gz CLKRDKCUQZIMGW-QZTJIDSGSA-N 1 0 335.444 2.569 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994767 1269450171 /nfs/dbraw/zinc/45/01/71/1269450171.db2.gz UMAXCLXAJDFWAC-OAHLLOKOSA-N 1 0 331.420 2.651 20 10 EFCDRO CN(C[C@@H]1CC[N@@H+]1CC1CCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994838 1269450478 /nfs/dbraw/zinc/45/04/78/1269450478.db2.gz WHDJNLYDHVSUGN-INIZCTEOSA-N 1 0 343.431 2.795 20 10 EFCDRO CCOc1cccc(C[N@H+](CCO)Cc2c(O)cccc2OC)c1 ZINC000825300115 1278496467 /nfs/dbraw/zinc/49/64/67/1278496467.db2.gz WBILRHAUGWLACN-UHFFFAOYSA-N 1 0 331.412 2.794 20 10 EFCDRO CCOc1cccc(C[N@H+](CCO)Cc2cccc(OC)c2O)c1 ZINC000825299790 1278496497 /nfs/dbraw/zinc/49/64/97/1278496497.db2.gz OJHNTOXWHQKOIP-UHFFFAOYSA-N 1 0 331.412 2.794 20 10 EFCDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(Br)cc2O)o1 ZINC000825303883 1278498520 /nfs/dbraw/zinc/49/85/20/1278498520.db2.gz NHIIIGHHZVCQPW-CYBMUJFWSA-N 1 0 326.190 2.879 20 10 EFCDRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1c(O)ccc2c1CCCC2 ZINC000741874039 1269745060 /nfs/dbraw/zinc/74/50/60/1269745060.db2.gz HQRWLUQJHDYURG-HNNXBMFYSA-N 1 0 347.528 2.719 20 10 EFCDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000825332415 1278509114 /nfs/dbraw/zinc/50/91/14/1278509114.db2.gz WMBPFOLLYVCQMV-QGZVFWFLSA-N 1 0 335.467 2.577 20 10 EFCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)CN1C1CC1 ZINC000825353677 1278518931 /nfs/dbraw/zinc/51/89/31/1278518931.db2.gz OUUOKAIHMOFFDA-GWCFXTLKSA-N 1 0 325.250 2.870 20 10 EFCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000742370693 1270025401 /nfs/dbraw/zinc/02/54/01/1270025401.db2.gz JHPPWKLULHPCNK-NVXWUHKLSA-N 1 0 336.501 2.590 20 10 EFCDRO COc1cc(C[N@H+](C)[C@@H](C)C[S@](C)=O)c(O)c(C(C)(C)C)c1 ZINC000825504890 1278573797 /nfs/dbraw/zinc/57/37/97/1278573797.db2.gz LMNYSLYEEOLLDP-YTEVENLXSA-N 1 0 327.490 2.897 20 10 EFCDRO COc1cc(C[N@H+](C)[C@H](C)C[S@](C)=O)c(O)c(C(C)(C)C)c1 ZINC000825504888 1278574040 /nfs/dbraw/zinc/57/40/40/1278574040.db2.gz LMNYSLYEEOLLDP-IPQOISQHSA-N 1 0 327.490 2.897 20 10 EFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)[C@@H]1OC ZINC000825513113 1278578996 /nfs/dbraw/zinc/57/89/96/1278578996.db2.gz BSWJPMFKJVHCOU-JZXOWHBKSA-N 1 0 337.460 2.980 20 10 EFCDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000825521945 1278582626 /nfs/dbraw/zinc/58/26/26/1278582626.db2.gz HFCXBYOCJRELRE-GXTWGEPZSA-N 1 0 344.386 2.802 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3ccc[nH]3)C2)cc1C ZINC001086307745 1270927854 /nfs/dbraw/zinc/92/78/54/1270927854.db2.gz QZJXYPJATMADCG-WKILWMFISA-N 1 0 327.428 2.630 20 10 EFCDRO CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001034052839 1270933108 /nfs/dbraw/zinc/93/31/08/1270933108.db2.gz MNWOGEFAUOYFDD-OAHLLOKOSA-N 1 0 349.410 2.745 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]CCN2CC[C@H](C)C2)c1O ZINC000744449959 1271051517 /nfs/dbraw/zinc/05/15/17/1271051517.db2.gz QYSQJGUVJYZDJE-NSHDSACASA-N 1 0 343.265 2.595 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)CCCC2CCOCC2)cc1C ZINC001128859647 1271220993 /nfs/dbraw/zinc/22/09/93/1271220993.db2.gz GYZITNGAUZHHPZ-UHFFFAOYSA-N 1 0 348.487 2.806 20 10 EFCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@]1(O)CCN(Cc3ccccc3)C1)CC2 ZINC000702544356 1271476607 /nfs/dbraw/zinc/47/66/07/1271476607.db2.gz KEVXHIRRIRWRCY-RXVVDRJESA-N 1 0 338.451 2.606 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000702554798 1271479779 /nfs/dbraw/zinc/47/97/79/1271479779.db2.gz XOEUWAPKJRTLFE-UWJYYQICSA-N 1 0 340.467 2.988 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)c(O)c1 ZINC000702553187 1271479810 /nfs/dbraw/zinc/47/98/10/1271479810.db2.gz IWCGFMZWIFALLO-UWJYYQICSA-N 1 0 340.467 2.988 20 10 EFCDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000745499975 1271494274 /nfs/dbraw/zinc/49/42/74/1271494274.db2.gz BCLLAVHLZOMTOP-OAHLLOKOSA-N 1 0 345.487 2.945 20 10 EFCDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC000745578843 1271521603 /nfs/dbraw/zinc/52/16/03/1271521603.db2.gz XFFSPBHTJNNBTK-WBVHZDCISA-N 1 0 330.476 2.569 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000745655334 1271552404 /nfs/dbraw/zinc/55/24/04/1271552404.db2.gz IGBNHGFRSUDTJF-WBVHZDCISA-N 1 0 332.492 2.815 20 10 EFCDRO CC[C@@H](C)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001034287810 1271565159 /nfs/dbraw/zinc/56/51/59/1271565159.db2.gz ANXXQOAGNBPLIZ-ZBFHGGJFSA-N 1 0 349.475 2.729 20 10 EFCDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000745827279 1271649976 /nfs/dbraw/zinc/64/99/76/1271649976.db2.gz DZCMFBRHLVMACM-QGZVFWFLSA-N 1 0 346.519 2.934 20 10 EFCDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000746133573 1271807096 /nfs/dbraw/zinc/80/70/96/1271807096.db2.gz VTOGODCOXXCNGU-HZPDHXFCSA-N 1 0 347.528 2.729 20 10 EFCDRO [O-]c1cccc(F)c1C[N@H+]1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001137834270 1272461173 /nfs/dbraw/zinc/46/11/73/1272461173.db2.gz AKIIULMNFVNHKU-BETUJISGSA-N 1 0 333.432 2.552 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)c3cnco3)CC2)cc1C ZINC001034701481 1272661539 /nfs/dbraw/zinc/66/15/39/1272661539.db2.gz CWNBVRKXHHCNLR-WKILWMFISA-N 1 0 343.427 2.822 20 10 EFCDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC001169449177 1272924313 /nfs/dbraw/zinc/92/43/13/1272924313.db2.gz PFMKSATWLYURJN-NSHDSACASA-N 1 0 343.265 2.891 20 10 EFCDRO COc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CCOC2)cc1C ZINC001169610689 1273051722 /nfs/dbraw/zinc/05/17/22/1273051722.db2.gz XPIPMNVBKMQDGG-WMZOPIPTSA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2ccccn2)cc1C ZINC001034841764 1273100841 /nfs/dbraw/zinc/10/08/41/1273100841.db2.gz ILAWAIQAGHFRBO-QGZVFWFLSA-N 1 0 339.439 2.793 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2ccc[nH]2)cc1C ZINC001034855740 1273107816 /nfs/dbraw/zinc/10/78/16/1273107816.db2.gz ONIFANQSCIKTPL-MRXNPFEDSA-N 1 0 327.428 2.726 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2ccco2)cc1C ZINC001034842040 1273123808 /nfs/dbraw/zinc/12/38/08/1273123808.db2.gz KYIDYZWXKNXMCM-MRXNPFEDSA-N 1 0 328.412 2.991 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCOC2)cc1C ZINC001034882061 1273144811 /nfs/dbraw/zinc/14/48/11/1273144811.db2.gz RAQIKBPYQNPDIL-QZTJIDSGSA-N 1 0 346.471 2.511 20 10 EFCDRO CS(=O)(=O)C1CCC([NH2+]Cc2cc3ccccc3cc2O)CC1 ZINC001169864593 1273214283 /nfs/dbraw/zinc/21/42/83/1273214283.db2.gz UTYZQBDNSOXPSM-UHFFFAOYSA-N 1 0 333.453 2.991 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC2(F)F)cc1C ZINC001034932940 1273214682 /nfs/dbraw/zinc/21/46/82/1273214682.db2.gz IVUAGKFPPZGZKT-CABCVRRESA-N 1 0 338.398 2.739 20 10 EFCDRO CCOc1ccc(N2CC[NH+]([C@@H]3CCCC4(C3)OCCO4)CC2)cc1 ZINC001169960953 1273282168 /nfs/dbraw/zinc/28/21/68/1273282168.db2.gz DTNGPFIQFYMJFR-GOSISDBHSA-N 1 0 346.471 2.893 20 10 EFCDRO CC[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1cc(Br)ccc1O ZINC000704304788 1273300151 /nfs/dbraw/zinc/30/01/51/1273300151.db2.gz LUETYFYVSIGWAV-STQMWFEESA-N 1 0 341.249 2.816 20 10 EFCDRO C[NH2+]CCc1ccccc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000844177300 1278781300 /nfs/dbraw/zinc/78/13/00/1278781300.db2.gz HLCYJZRSSXHUTR-UHFFFAOYSA-N 1 0 337.467 2.761 20 10 EFCDRO CC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc(N=NC(N)=O)cc1)CC2 ZINC001035260505 1273955874 /nfs/dbraw/zinc/95/58/74/1273955874.db2.gz XIHMWDLHFREBOZ-UHFFFAOYSA-N 1 0 343.431 2.797 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(F)F)C[C@@H]2C)cc1C ZINC001035867573 1274630143 /nfs/dbraw/zinc/63/01/43/1274630143.db2.gz FOGLQZBSJLTEGZ-GXTWGEPZSA-N 1 0 326.387 2.595 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CSC)C[C@H]2C)cc1C ZINC001035905122 1274649779 /nfs/dbraw/zinc/64/97/79/1274649779.db2.gz DNDVSYGEAHJZBP-ZBFHGGJFSA-N 1 0 336.501 2.693 20 10 EFCDRO COCCOCCCC[NH2+]Cc1c(O)cccc1Br ZINC000706829298 1275039655 /nfs/dbraw/zinc/03/96/55/1275039655.db2.gz UVIDMBQHSGNFCE-UHFFFAOYSA-N 1 0 332.238 2.688 20 10 EFCDRO CC(C)(C)OC(=O)NCC[NH2+]Cc1c(O)cccc1Br ZINC000706852238 1275051843 /nfs/dbraw/zinc/05/18/43/1275051843.db2.gz XXGCGWWSFSMLRY-UHFFFAOYSA-N 1 0 345.237 2.769 20 10 EFCDRO CC1CCN(CC[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000706871496 1275065395 /nfs/dbraw/zinc/06/53/95/1275065395.db2.gz ARTAXMOMCNTMQC-UHFFFAOYSA-N 1 0 327.266 2.976 20 10 EFCDRO CC[C@H]1C[C@@H]([NH+]2CCN(c3ccc(OC)cc3OC)CC2)CCO1 ZINC001170237843 1278923173 /nfs/dbraw/zinc/92/31/73/1278923173.db2.gz JQODZTFDEGALFM-HOTGVXAUSA-N 1 0 334.460 2.783 20 10 EFCDRO CC[C@@H]1C[C@H]([NH+]2CCN(c3ccc(OCCOC)cc3)CC2)CCO1 ZINC001170237840 1278923228 /nfs/dbraw/zinc/92/32/28/1278923228.db2.gz JPJPPWNOFLJWIB-RTBURBONSA-N 1 0 348.487 2.791 20 10 EFCDRO CC[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(OCCOC)cc3)CC2)CCO1 ZINC001170237839 1278923280 /nfs/dbraw/zinc/92/32/80/1278923280.db2.gz JPJPPWNOFLJWIB-RBUKOAKNSA-N 1 0 348.487 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cnco3)C[C@H]2C)cc1C ZINC001036127086 1275133596 /nfs/dbraw/zinc/13/35/96/1275133596.db2.gz RVPKPBOWTOHRBX-GDBMZVCRSA-N 1 0 343.427 2.632 20 10 EFCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H]1CO ZINC000785984224 1275266091 /nfs/dbraw/zinc/26/60/91/1275266091.db2.gz JYQMQZWEHCYZJT-KBXCAEBGSA-N 1 0 333.432 2.788 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+]C(C)(C)C2CCOCC2)cc1 ZINC000786173087 1275332483 /nfs/dbraw/zinc/33/24/83/1275332483.db2.gz WXRXWIMRVXUDMT-UHFFFAOYSA-N 1 0 347.503 2.506 20 10 EFCDRO CNC(=O)c1ccc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)cc1 ZINC000844399863 1278947634 /nfs/dbraw/zinc/94/76/34/1278947634.db2.gz QPIGUMYFCWMAMQ-UHFFFAOYSA-N 1 0 341.455 2.623 20 10 EFCDRO CC(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001036309993 1275396613 /nfs/dbraw/zinc/39/66/13/1275396613.db2.gz VMRCXWVJBLYZDM-CJNGLKHVSA-N 1 0 345.447 2.945 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)CC2CCC3(CC2)OCCO3)cc1 ZINC000844400759 1278948082 /nfs/dbraw/zinc/94/80/82/1278948082.db2.gz DXKCLWONLHJXBL-UHFFFAOYSA-N 1 0 348.487 2.997 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)c2cccc(F)c2)cc1 ZINC000844399619 1278949632 /nfs/dbraw/zinc/94/96/32/1278949632.db2.gz LWDNFOZGXMONSR-IBGZPJMESA-N 1 0 332.419 2.936 20 10 EFCDRO CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001036307675 1275429642 /nfs/dbraw/zinc/42/96/42/1275429642.db2.gz OZAMUGNBBRZZOP-IUODEOHRSA-N 1 0 331.420 2.699 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cc(=O)[nH]c(C3CC3)n2)cc1 ZINC000844401375 1278951595 /nfs/dbraw/zinc/95/15/95/1278951595.db2.gz KGYIYVFPAKYPEO-UHFFFAOYSA-N 1 0 342.443 2.636 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)c1 ZINC000786862144 1275558137 /nfs/dbraw/zinc/55/81/37/1275558137.db2.gz VTUYCGHNRYBUHZ-CYBMUJFWSA-N 1 0 341.411 2.781 20 10 EFCDRO CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001036470389 1275715280 /nfs/dbraw/zinc/71/52/80/1275715280.db2.gz DMMBSYODWRFRGE-OCCSQVGLSA-N 1 0 331.420 2.699 20 10 EFCDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3c(O)cccc3Cl)CC2)n1 ZINC000787289748 1275735479 /nfs/dbraw/zinc/73/54/79/1275735479.db2.gz VZQPCRGXZKBTDD-UHFFFAOYSA-N 1 0 336.779 2.987 20 10 EFCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)[C@@H]1C ZINC000787422085 1275770573 /nfs/dbraw/zinc/77/05/73/1275770573.db2.gz ZBSDKDUAFXMBQV-SKDRFNHKSA-N 1 0 328.206 2.538 20 10 EFCDRO COC(=O)[C@@](C)(C[NH2+]Cc1c(O)cccc1OC)c1ccccc1 ZINC000787423431 1275771419 /nfs/dbraw/zinc/77/14/19/1275771419.db2.gz MUEQLLZKSQQGJG-IBGZPJMESA-N 1 0 329.396 2.621 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1F ZINC000787425314 1275772189 /nfs/dbraw/zinc/77/21/89/1275772189.db2.gz VDFLCEKKHBSILN-HDMKZQKVSA-N 1 0 333.451 2.758 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1F ZINC000787425309 1275772496 /nfs/dbraw/zinc/77/24/96/1275772496.db2.gz VDFLCEKKHBSILN-DAYGRLMNSA-N 1 0 333.451 2.758 20 10 EFCDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1ccc2c(c1)CCCN2C ZINC000746688808 1275802210 /nfs/dbraw/zinc/80/22/10/1275802210.db2.gz FSWJFNDPOWMTIC-QGZVFWFLSA-N 1 0 346.544 2.517 20 10 EFCDRO C[NH+](C)CCCOC(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000787578455 1275814335 /nfs/dbraw/zinc/81/43/35/1275814335.db2.gz IRGNYGUCOFDWHF-UHFFFAOYSA-N 1 0 337.375 2.571 20 10 EFCDRO CC(C)[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H](O)c1ccccc1 ZINC000788541376 1276212757 /nfs/dbraw/zinc/21/27/57/1276212757.db2.gz WKGDHFZXQXQZEX-OALUTQOASA-N 1 0 329.396 2.969 20 10 EFCDRO O=C(CNc1cc(C[NH+]2CCCCC2)ccn1)c1ccc(O)c(O)c1 ZINC001170316765 1279011614 /nfs/dbraw/zinc/01/16/14/1279011614.db2.gz NJMPDLAMTYRFKT-UHFFFAOYSA-N 1 0 341.411 2.774 20 10 EFCDRO Cc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c(C)n1-c1ccccn1 ZINC000817677352 1276270071 /nfs/dbraw/zinc/27/00/71/1276270071.db2.gz RSNYCMZSOOQNAP-MRXNPFEDSA-N 1 0 326.444 2.655 20 10 EFCDRO Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c(C)n1-c1ccccn1 ZINC000817677351 1276270315 /nfs/dbraw/zinc/27/03/15/1276270315.db2.gz RSNYCMZSOOQNAP-INIZCTEOSA-N 1 0 326.444 2.655 20 10 EFCDRO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000788785197 1276331680 /nfs/dbraw/zinc/33/16/80/1276331680.db2.gz WXAHNITULSHRPY-ZDUSSCGKSA-N 1 0 344.386 2.971 20 10 EFCDRO C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(Br)cc(F)c1[O-] ZINC000817967419 1276410682 /nfs/dbraw/zinc/41/06/82/1276410682.db2.gz HXHZIXBEIXWYCC-VIFPVBQESA-N 1 0 329.213 2.864 20 10 EFCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1nc2ccccc2n1C ZINC000817939899 1276385401 /nfs/dbraw/zinc/38/54/01/1276385401.db2.gz DAXNNHGXXWCPOZ-RHSMWYFYSA-N 1 0 337.471 2.990 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Br)c(F)cc1[O-] ZINC000817945993 1276390584 /nfs/dbraw/zinc/39/05/84/1276390584.db2.gz PMUHYXYVBJGXMC-NXEZZACHSA-N 1 0 331.229 2.944 20 10 EFCDRO C[C@H](NC[C@H]1CCCC[NH2+]1)c1ccc(N2CCOCC2)cc1Cl ZINC000817949123 1276396172 /nfs/dbraw/zinc/39/61/72/1276396172.db2.gz HYNMRVIAYRPYRJ-LSDHHAIUSA-N 1 0 337.895 2.969 20 10 EFCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000817955843 1276397360 /nfs/dbraw/zinc/39/73/60/1276397360.db2.gz JDBJCICQFUGWTJ-CYBMUJFWSA-N 1 0 333.457 2.534 20 10 EFCDRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817956680 1276397848 /nfs/dbraw/zinc/39/78/48/1276397848.db2.gz ANQHXLOFCUEKPC-CQSZACIVSA-N 1 0 328.412 2.714 20 10 EFCDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCc2ccc(N)cc2)cc1 ZINC000817957491 1276398530 /nfs/dbraw/zinc/39/85/30/1276398530.db2.gz MJNVRTHYGCMKPM-HNNXBMFYSA-N 1 0 332.469 2.572 20 10 EFCDRO CC[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1cc(Br)ccc1O ZINC000817976717 1276416890 /nfs/dbraw/zinc/41/68/90/1276416890.db2.gz SCOVDSTWQIXNBK-GVXVVHGQSA-N 1 0 331.229 2.895 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CC[C@H](O)C2)ccc1N1CCCCC1 ZINC000788971604 1276420470 /nfs/dbraw/zinc/42/04/70/1276420470.db2.gz PFIDCFSTXBYZME-ZBFHGGJFSA-N 1 0 333.432 2.836 20 10 EFCDRO C[C@@H](NC[C@@H]1C[NH2+]CCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817981375 1276420830 /nfs/dbraw/zinc/42/08/30/1276420830.db2.gz RSWYAOYUTKABON-WBVHZDCISA-N 1 0 335.467 2.845 20 10 EFCDRO COc1ccc(C[C@H](C)[NH2+]CCc2ccc(O)c(O)c2)c([N+](=O)[O-])c1 ZINC001170309947 1279031468 /nfs/dbraw/zinc/03/14/68/1279031468.db2.gz UIFFMLQZRAYGMY-LBPRGKRZSA-N 1 0 346.383 2.778 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCN(C(C)(C)C)C3=O)CC2)cc1 ZINC000818111711 1276465292 /nfs/dbraw/zinc/46/52/92/1276465292.db2.gz BNOQYNAYQNVMHI-GOSISDBHSA-N 1 0 345.487 2.653 20 10 EFCDRO CCC(=O)N1CCC([NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000818219781 1276492904 /nfs/dbraw/zinc/49/29/04/1276492904.db2.gz DHCMWHQFXCLHPQ-INIZCTEOSA-N 1 0 345.487 2.512 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnccc3N(C)C)C2)cc1 ZINC000818221405 1276493070 /nfs/dbraw/zinc/49/30/70/1276493070.db2.gz LZIJXHFIMVNOME-MRXNPFEDSA-N 1 0 340.471 2.772 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnc(N(C)C)s3)C2)cc1 ZINC000818220903 1276493085 /nfs/dbraw/zinc/49/30/85/1276493085.db2.gz OEEPNPOYCQGIIB-CQSZACIVSA-N 1 0 346.500 2.834 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnccc3N(C)C)C2)cc1 ZINC000818221404 1276493735 /nfs/dbraw/zinc/49/37/35/1276493735.db2.gz LZIJXHFIMVNOME-INIZCTEOSA-N 1 0 340.471 2.772 20 10 EFCDRO COC(=O)CC1CC([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000818330476 1276507591 /nfs/dbraw/zinc/50/75/91/1276507591.db2.gz QRPRPKHESFEDRM-UQPPLGOBSA-N 1 0 332.444 2.516 20 10 EFCDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccn(C)n1 ZINC000818342113 1276510087 /nfs/dbraw/zinc/51/00/87/1276510087.db2.gz LSODHOGOPYJDRM-YJBOKZPZSA-N 1 0 328.460 2.996 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)CCn3cccn3)C2)cc1 ZINC000818342125 1276510258 /nfs/dbraw/zinc/51/02/58/1276510258.db2.gz LXJBOGZMOIKXCM-SJORKVTESA-N 1 0 328.460 2.786 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CCC4(CC3)OCCO4)C2)cc1 ZINC000818342832 1276511607 /nfs/dbraw/zinc/51/16/07/1276511607.db2.gz VVDAFMZOXFDYFU-MRXNPFEDSA-N 1 0 346.471 2.797 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC1([NH+](C)C)CC1 ZINC000923013814 1276524982 /nfs/dbraw/zinc/52/49/82/1276524982.db2.gz PHVKNHYFRLNNRL-UHFFFAOYSA-N 1 0 344.503 2.913 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1F ZINC000818649249 1276542610 /nfs/dbraw/zinc/54/26/10/1276542610.db2.gz OVULNCVFOOJHLR-HZPDHXFCSA-N 1 0 336.455 2.741 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCCC[C@H]3[NH3+])cc2)CC1 ZINC000818648982 1276542999 /nfs/dbraw/zinc/54/29/99/1276542999.db2.gz KJVWPALSIKDJSZ-RTBURBONSA-N 1 0 344.503 2.992 20 10 EFCDRO CC(C)OCC[C@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818964496 1276552061 /nfs/dbraw/zinc/55/20/61/1276552061.db2.gz XUJVAAGUMZVAPX-SFHVURJKSA-N 1 0 338.517 2.505 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000818941670 1276553575 /nfs/dbraw/zinc/55/35/75/1276553575.db2.gz NLURFNOPAIVNLF-UHFFFAOYSA-N 1 0 340.471 2.937 20 10 EFCDRO CN1CCCc2cc(C[NH2+]C[C@H](O)COc3ccccc3F)ccc21 ZINC000818985043 1276563306 /nfs/dbraw/zinc/56/33/06/1276563306.db2.gz MDFHNKHTIQSERL-KRWDZBQOSA-N 1 0 344.430 2.738 20 10 EFCDRO O=C(CC[NH2+]Cc1ccc2c(c1)CCO2)Nc1ccccc1[N+](=O)[O-] ZINC000818997375 1276567285 /nfs/dbraw/zinc/56/72/85/1276567285.db2.gz YZBKOEFWEGQGMT-UHFFFAOYSA-N 1 0 341.367 2.648 20 10 EFCDRO CN(C)c1ccc(NC(=O)CC[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000818996993 1276567348 /nfs/dbraw/zinc/56/73/48/1276567348.db2.gz OWDWTYNQIHFWSM-UHFFFAOYSA-N 1 0 339.439 2.806 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)CC(F)(F)F)CC2)cc1 ZINC000819003111 1276568817 /nfs/dbraw/zinc/56/88/17/1276568817.db2.gz SFJWSTLESYZWKF-CQSZACIVSA-N 1 0 332.366 2.567 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)COCc1cccs1 ZINC000819094171 1276604664 /nfs/dbraw/zinc/60/46/64/1276604664.db2.gz ARETYVPAFOJFMR-SFHVURJKSA-N 1 0 344.480 2.792 20 10 EFCDRO O[C@H](C[NH2+]CCCSc1nccs1)COc1ccccc1F ZINC000819063630 1276612100 /nfs/dbraw/zinc/61/21/00/1276612100.db2.gz OLFPLJQHSQUZRL-GFCCVEGCSA-N 1 0 342.461 2.794 20 10 EFCDRO O[C@@H](C[NH2+]CCCSc1nccs1)Cc1ccc(F)cc1 ZINC000819062064 1276613241 /nfs/dbraw/zinc/61/32/41/1276613241.db2.gz AOAKJZPGLLKECW-CQSZACIVSA-N 1 0 326.462 2.958 20 10 EFCDRO O[C@@H](C[NH2+]CCCSc1nccs1)COc1ccc(F)cc1 ZINC000819064201 1276613947 /nfs/dbraw/zinc/61/39/47/1276613947.db2.gz UAVVCFQMXGLZGM-ZDUSSCGKSA-N 1 0 342.461 2.794 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000819120437 1276639253 /nfs/dbraw/zinc/63/92/53/1276639253.db2.gz BJRZVTLGFIJACU-FQEVSTJZSA-N 1 0 344.430 2.610 20 10 EFCDRO CCC[NH+](CCC)CCCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819165115 1276649141 /nfs/dbraw/zinc/64/91/41/1276649141.db2.gz OXFLIHNKVDZTSD-UHFFFAOYSA-N 1 0 347.459 2.669 20 10 EFCDRO O[C@@H](C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000819358615 1276742085 /nfs/dbraw/zinc/74/20/85/1276742085.db2.gz MJQCCJXHIWUGEX-SFHVURJKSA-N 1 0 348.393 2.625 20 10 EFCDRO Cc1cc(NC(=O)CC[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)no1 ZINC000819374527 1276762111 /nfs/dbraw/zinc/76/21/11/1276762111.db2.gz FSJFZGOYRJYAHN-AWEZNQCLSA-N 1 0 344.459 2.907 20 10 EFCDRO Cc1cc(NC(=O)CC[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)no1 ZINC000819374529 1276762328 /nfs/dbraw/zinc/76/23/28/1276762328.db2.gz FSJFZGOYRJYAHN-CQSZACIVSA-N 1 0 344.459 2.907 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)c3ccccc3)C2)cc1 ZINC000819379372 1276763144 /nfs/dbraw/zinc/76/31/44/1276763144.db2.gz GLYAQVZSBVVZPJ-OXQOHEQNSA-N 1 0 326.440 2.845 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)Cc3ccccc3)C2)cc1 ZINC000819379992 1276764313 /nfs/dbraw/zinc/76/43/13/1276764313.db2.gz LXNJGPSQFQWLGB-UYAOXDASSA-N 1 0 340.467 2.715 20 10 EFCDRO Cc1cc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)ccc1N(C)C ZINC000815009097 1287244281 /nfs/dbraw/zinc/24/42/81/1287244281.db2.gz ZYOBMBFLIVQXOR-UHFFFAOYSA-N 1 0 329.488 2.895 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN3CCOc4cc(F)ccc43)cc2)CC1 ZINC000789566973 1276818736 /nfs/dbraw/zinc/81/87/36/1276818736.db2.gz QDIZWARNGVSMRV-UHFFFAOYSA-N 1 0 341.430 2.977 20 10 EFCDRO COc1ccc(N2CC[C@H](CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)cc1 ZINC000819583838 1276827004 /nfs/dbraw/zinc/82/70/04/1276827004.db2.gz AEHXWFAVNVZVGM-BRWVUGGUSA-N 1 0 345.487 2.511 20 10 EFCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819587174 1276828748 /nfs/dbraw/zinc/82/87/48/1276828748.db2.gz XGARODUYFWZNGU-JKSUJKDBSA-N 1 0 347.503 2.804 20 10 EFCDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1c(F)ccc(O)c1O ZINC000789956850 1277121995 /nfs/dbraw/zinc/12/19/95/1277121995.db2.gz IJZXEOCDCYQLEZ-CQSZACIVSA-N 1 0 344.386 2.631 20 10 EFCDRO CN(C)c1ccc(CN2CC[C@@]3(CC[N@H+](CCC4CC4)C3)C2=O)cc1 ZINC001273163850 1277154966 /nfs/dbraw/zinc/15/49/66/1277154966.db2.gz DMTRFONJDSKCSF-OAQYLSRUSA-N 1 0 341.499 2.977 20 10 EFCDRO CN(C)c1ccc(CN2CC[C@]3(CC[N@H+](CCC4CC4)C3)C2=O)cc1 ZINC001273163847 1277155650 /nfs/dbraw/zinc/15/56/50/1277155650.db2.gz DMTRFONJDSKCSF-NRFANRHFSA-N 1 0 341.499 2.977 20 10 EFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(Cl)cc2O)N1CC(F)F ZINC001273164174 1277176934 /nfs/dbraw/zinc/17/69/34/1277176934.db2.gz RQSTZUFJIJPRTH-CHWSQXEVSA-N 1 0 344.789 2.876 20 10 EFCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820680240 1277275417 /nfs/dbraw/zinc/27/54/17/1277275417.db2.gz FYYQLEHIPBQNAZ-CABCVRRESA-N 1 0 329.404 2.548 20 10 EFCDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000821070884 1277426022 /nfs/dbraw/zinc/42/60/22/1277426022.db2.gz PQPBKIGIKOZYJH-SFHVURJKSA-N 1 0 328.456 2.904 20 10 EFCDRO COCC1([NH2+]Cc2cc(Br)cc(OC)c2O)CCC1 ZINC000790653056 1277722343 /nfs/dbraw/zinc/72/23/43/1277722343.db2.gz XNELDWJZHRTYOZ-UHFFFAOYSA-N 1 0 330.222 2.822 20 10 EFCDRO Cc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)ccc1N(C)C ZINC000815071023 1287295921 /nfs/dbraw/zinc/29/59/21/1287295921.db2.gz CMSQRAGMBSYBOL-ZWKOTPCHSA-N 1 0 338.517 2.849 20 10 EFCDRO CCOCCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000790761200 1277746544 /nfs/dbraw/zinc/74/65/44/1277746544.db2.gz SCXPXIRKDBOWQD-HOCLYGCPSA-N 1 0 333.428 2.610 20 10 EFCDRO COCCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000815081766 1287305576 /nfs/dbraw/zinc/30/55/76/1287305576.db2.gz NWUDIOQGHBBVJL-DOTOQJQBSA-N 1 0 345.439 2.672 20 10 EFCDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000746983081 1277963246 /nfs/dbraw/zinc/96/32/46/1277963246.db2.gz RIVSRSJBMMLSQR-INIZCTEOSA-N 1 0 344.503 2.743 20 10 EFCDRO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)ccc1N(C)C ZINC000815100412 1287325016 /nfs/dbraw/zinc/32/50/16/1287325016.db2.gz NZEYJHPLOXACTR-ICSRJNTNSA-N 1 0 331.504 2.794 20 10 EFCDRO COc1cc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(C)C)cc(OC)n1 ZINC001134870880 1287326325 /nfs/dbraw/zinc/32/63/25/1287326325.db2.gz BHSLFSRKMUKZQC-ZIAGYGMSSA-N 1 0 337.464 2.631 20 10 EFCDRO COc1ccc(CNC(=O)NCC2([NH+](C)C)CCCCCC2)c(O)c1 ZINC000792787659 1279152468 /nfs/dbraw/zinc/15/24/68/1279152468.db2.gz GOOSMDWHQWNKON-UHFFFAOYSA-N 1 0 349.475 2.855 20 10 EFCDRO CCN(C)c1ccc(C[NH2+][C@]2(CO)CCOc3ccccc32)cc1 ZINC000815108235 1287329356 /nfs/dbraw/zinc/32/93/56/1287329356.db2.gz SYMDYGZZFFWFPO-FQEVSTJZSA-N 1 0 326.440 2.903 20 10 EFCDRO COc1ccc(CNC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(O)c1 ZINC000792827987 1279187929 /nfs/dbraw/zinc/18/79/29/1279187929.db2.gz FSOCSWCHYLOKDQ-HUUCEWRRSA-N 1 0 349.475 2.568 20 10 EFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCCS(=O)(=O)C1 ZINC000792861287 1279198053 /nfs/dbraw/zinc/19/80/53/1279198053.db2.gz AJLARNYJHXXZEN-QGZVFWFLSA-N 1 0 338.517 2.788 20 10 EFCDRO NC(=O)C[C@@H]([NH2+]Cc1cc(Br)ccc1O)c1ccccc1 ZINC000815155170 1287333241 /nfs/dbraw/zinc/33/32/41/1287333241.db2.gz XYSCRAISRMNLPP-CQSZACIVSA-N 1 0 349.228 2.861 20 10 EFCDRO C[C@H](CN1CCOCC1)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792918686 1279275662 /nfs/dbraw/zinc/27/56/62/1279275662.db2.gz WRGVUOXFDCGIHR-CYBMUJFWSA-N 1 0 345.409 2.582 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H]3CC3(F)F)C2)cc1C ZINC001091019231 1279301829 /nfs/dbraw/zinc/30/18/29/1279301829.db2.gz OEWQBCJKLIGSOB-NRXISQOPSA-N 1 0 338.398 2.643 20 10 EFCDRO COCCOC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792994500 1279318523 /nfs/dbraw/zinc/31/85/23/1279318523.db2.gz FVBHFDOIKNKMKT-LBPRGKRZSA-N 1 0 334.382 2.913 20 10 EFCDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)C1 ZINC000844902511 1279323356 /nfs/dbraw/zinc/32/33/56/1279323356.db2.gz OIPDXHLPNHBUAF-HSMVNMDESA-N 1 0 342.842 2.903 20 10 EFCDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)C1 ZINC000844902514 1279323857 /nfs/dbraw/zinc/32/38/57/1279323857.db2.gz OIPDXHLPNHBUAF-XHBSWPGZSA-N 1 0 342.842 2.903 20 10 EFCDRO C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]1CC[NH3+] ZINC000844902609 1279325265 /nfs/dbraw/zinc/32/52/65/1279325265.db2.gz SYGCDSXRFLBGAP-ZWNOBZJWSA-N 1 0 327.812 2.903 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@@H]1CN(C)CCO1 ZINC000793015105 1279327664 /nfs/dbraw/zinc/32/76/64/1279327664.db2.gz CYCCHTGCZFITCS-WBMJQRKESA-N 1 0 345.409 2.580 20 10 EFCDRO C[C@H](CNC(=O)NCc1cc(Cl)ccc1O)[NH+]1CCC(C)CC1 ZINC000844931883 1279348759 /nfs/dbraw/zinc/34/87/59/1279348759.db2.gz MUQJCXMWTAEJAH-CYBMUJFWSA-N 1 0 339.867 2.965 20 10 EFCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793029577 1279350273 /nfs/dbraw/zinc/35/02/73/1279350273.db2.gz XBYIRQXCDWCROO-HIFRSBDPSA-N 1 0 343.393 2.776 20 10 EFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000844969246 1279367218 /nfs/dbraw/zinc/36/72/18/1279367218.db2.gz NOPIFXGBRJUTAO-AWEZNQCLSA-N 1 0 325.840 2.719 20 10 EFCDRO CC[NH+]1CCC(CNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000844945586 1279371441 /nfs/dbraw/zinc/37/14/41/1279371441.db2.gz MNQAAVYKFAOPBD-UHFFFAOYSA-N 1 0 325.840 2.577 20 10 EFCDRO CCc1noc(C)c1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000815146011 1287345854 /nfs/dbraw/zinc/34/58/54/1287345854.db2.gz KMWGDAPJKJVCHD-UHFFFAOYSA-N 1 0 333.407 2.811 20 10 EFCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)NC(=O)OC(C)(C)C ZINC000793223192 1279450439 /nfs/dbraw/zinc/45/04/39/1279450439.db2.gz IJHZQZUQIZQLGP-LBPRGKRZSA-N 1 0 325.428 2.895 20 10 EFCDRO Cc1cccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c1O ZINC000793266561 1279487017 /nfs/dbraw/zinc/48/70/17/1279487017.db2.gz ORFVUDZPWWDYES-AWEZNQCLSA-N 1 0 349.228 2.779 20 10 EFCDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000845201152 1279491266 /nfs/dbraw/zinc/49/12/66/1279491266.db2.gz CEPHRSAXTORLNR-GFCCVEGCSA-N 1 0 327.856 2.965 20 10 EFCDRO C[N@H+](CCCCNC(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC000845250668 1279502266 /nfs/dbraw/zinc/50/22/66/1279502266.db2.gz DOBJMLKLMKFMDD-UHFFFAOYSA-N 1 0 325.840 2.719 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+]CCN2CC=CCC2)ccc1N1CCCCC1 ZINC000793323895 1279547820 /nfs/dbraw/zinc/54/78/20/1279547820.db2.gz UPHNSRLBYKUPBI-UHFFFAOYSA-N 1 0 344.459 2.937 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@H](CO)CC2CCC2)c1O ZINC000793324465 1279548550 /nfs/dbraw/zinc/54/85/50/1279548550.db2.gz ZWIXEELYLQQIFN-ZDUSSCGKSA-N 1 0 344.249 2.804 20 10 EFCDRO COC(=O)[C@H](C)Oc1ccc(C[NH2+]Cc2ccc(OC)cc2O)cc1 ZINC000793389079 1279614852 /nfs/dbraw/zinc/61/48/52/1279614852.db2.gz UZBOKCSRASGULM-ZDUSSCGKSA-N 1 0 345.395 2.631 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)c(O)c1 ZINC000793388596 1279616660 /nfs/dbraw/zinc/61/66/60/1279616660.db2.gz GTCSPRPCYJVLBA-UHFFFAOYSA-N 1 0 332.366 2.907 20 10 EFCDRO CC[C@@H]1C[C@H](C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)CCO1 ZINC001170432372 1279668218 /nfs/dbraw/zinc/66/82/18/1279668218.db2.gz SHELWVGHJLBTEJ-QZTJIDSGSA-N 1 0 348.487 2.805 20 10 EFCDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)n(C)n1 ZINC000793524842 1279715990 /nfs/dbraw/zinc/71/59/90/1279715990.db2.gz USYRUAWEIIONJZ-CQSZACIVSA-N 1 0 332.423 2.555 20 10 EFCDRO CCOC(=O)CC[N@H+](Cc1ccccc1)Cc1c(O)cc(O)cc1O ZINC001144503829 1279747707 /nfs/dbraw/zinc/74/77/07/1279747707.db2.gz DZYCBIAYKAMDNN-UHFFFAOYSA-N 1 0 345.395 2.759 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3cc(F)c[nH]3)C2)cc1C ZINC001091150336 1279748768 /nfs/dbraw/zinc/74/87/68/1279748768.db2.gz YNYVITKLVKVLIO-UHFFFAOYSA-N 1 0 345.418 2.769 20 10 EFCDRO Oc1cc(O)c(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)c(O)c1 ZINC001144508108 1279753055 /nfs/dbraw/zinc/75/30/55/1279753055.db2.gz IICFKBGRKGGFOW-WTANOLMUSA-N 1 0 333.428 2.831 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)c(O)c1 ZINC001144519894 1279762626 /nfs/dbraw/zinc/76/26/26/1279762626.db2.gz CKCQMLIJHGZJBY-RYUDHWBXSA-N 1 0 346.814 2.920 20 10 EFCDRO COc1ccccc1O[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509189 1279769666 /nfs/dbraw/zinc/76/96/66/1279769666.db2.gz OLSROJTWKPUSML-AWEZNQCLSA-N 1 0 345.395 2.855 20 10 EFCDRO COc1cc(O)c(C[NH2+]CCc2ccc3c[nH]nc3c2)cc1OC ZINC000793610286 1279773345 /nfs/dbraw/zinc/77/33/45/1279773345.db2.gz SEOHSLRSQHVFNX-UHFFFAOYSA-N 1 0 327.384 2.618 20 10 EFCDRO COC[C@H](C)[N@H+](Cc1cccc(OC)c1)Cc1c(O)cc(O)cc1O ZINC001144514734 1279774483 /nfs/dbraw/zinc/77/44/83/1279774483.db2.gz QCKPBQBAMBIRDY-ZDUSSCGKSA-N 1 0 347.411 2.849 20 10 EFCDRO COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)Cc1c(O)cc(O)cc1O ZINC001144515614 1279777542 /nfs/dbraw/zinc/77/75/42/1279777542.db2.gz SQHUVDUMIOKVMC-ZDUSSCGKSA-N 1 0 345.395 2.757 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCN(C3(c4ccccc4)CC3)CC2)c(O)c1 ZINC001144516058 1279777697 /nfs/dbraw/zinc/77/76/97/1279777697.db2.gz NXZAGZUWILTFKA-UHFFFAOYSA-N 1 0 340.423 2.610 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)c1 ZINC000845970612 1279946310 /nfs/dbraw/zinc/94/63/10/1279946310.db2.gz AINVZRHKTQXZFQ-LLVKDONJSA-N 1 0 333.384 2.974 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc3c(cc2OC)OCO3)c1 ZINC000845971550 1279947778 /nfs/dbraw/zinc/94/77/78/1279947778.db2.gz LHHCLVBZEZRRLK-NSHDSACASA-N 1 0 331.368 2.989 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(Br)nn2C)c1 ZINC000845970946 1279948816 /nfs/dbraw/zinc/94/88/16/1279948816.db2.gz GCDFUWXVIMJEDN-SECBINFHSA-N 1 0 340.221 2.748 20 10 EFCDRO Cc1cccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)c1O ZINC000845998995 1279968721 /nfs/dbraw/zinc/96/87/21/1279968721.db2.gz GYNHGHHGCXEVMN-LJQANCHMSA-N 1 0 336.435 2.906 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cnc(N(C)C)s2)cc1 ZINC000846052476 1280004034 /nfs/dbraw/zinc/00/40/34/1280004034.db2.gz ONFSOZKAMMWYER-UHFFFAOYSA-N 1 0 334.489 2.786 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(O)cccc2OC)C[C@H]1c1ccccc1 ZINC000846070773 1280005631 /nfs/dbraw/zinc/00/56/31/1280005631.db2.gz VQGXUDUVOVWEED-JKSUJKDBSA-N 1 0 341.407 2.789 20 10 EFCDRO O=C1C[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)CN1C1CC1 ZINC000846076845 1280006432 /nfs/dbraw/zinc/00/64/32/1280006432.db2.gz YQDPYKMVSDLJRK-KRWDZBQOSA-N 1 0 327.472 2.777 20 10 EFCDRO O=C1CCCN1CC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000846082322 1280009117 /nfs/dbraw/zinc/00/91/17/1280009117.db2.gz OFXJLBATHGMSIZ-UHFFFAOYSA-N 1 0 340.423 2.683 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCN(C)C[C@@H]2Cc2ccccc2)c1 ZINC000846066900 1280016813 /nfs/dbraw/zinc/01/68/13/1280016813.db2.gz IODRPYTWOOUZPG-SFHVURJKSA-N 1 0 326.440 2.760 20 10 EFCDRO O=c1cc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)nc2ccccn12 ZINC000846107112 1280020503 /nfs/dbraw/zinc/02/05/03/1280020503.db2.gz FLHQVWAJUYVEHR-UHFFFAOYSA-N 1 0 348.450 2.975 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)c1O ZINC000846152313 1280039914 /nfs/dbraw/zinc/03/99/14/1280039914.db2.gz ABHBGBSVSPMHHE-XJKSGUPXSA-N 1 0 332.444 2.985 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c1O ZINC000846156997 1280040963 /nfs/dbraw/zinc/04/09/63/1280040963.db2.gz RCVIWBZQDBTMGY-JQWIXIFHSA-N 1 0 346.349 2.605 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CCCNC(=O)c2occc2C)c1O ZINC000846156902 1280041200 /nfs/dbraw/zinc/04/12/00/1280041200.db2.gz ZHBQSQHNXJUVKB-ZDUSSCGKSA-N 1 0 332.400 2.773 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NCC3)c1O ZINC000846166681 1280044179 /nfs/dbraw/zinc/04/41/79/1280044179.db2.gz ZOCHMBPJAWQOBG-LBPRGKRZSA-N 1 0 326.396 2.538 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)c1O ZINC000846167640 1280045619 /nfs/dbraw/zinc/04/56/19/1280045619.db2.gz AAHVSEDMIUFBBU-OGHNNQOOSA-N 1 0 331.416 2.705 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccoc3)CC2)c1O ZINC000846139768 1280049988 /nfs/dbraw/zinc/04/99/88/1280049988.db2.gz ZQTUUDUVFNAJEN-ZDUSSCGKSA-N 1 0 344.411 2.949 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC(CC[NH3+])CC2)cc1 ZINC000846138114 1280050201 /nfs/dbraw/zinc/05/02/01/1280050201.db2.gz SVIDXQDIGJGJKC-UHFFFAOYSA-N 1 0 332.492 2.803 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]CCC(=O)NCc2ccccc2)c1O ZINC000846142566 1280050789 /nfs/dbraw/zinc/05/07/89/1280050789.db2.gz VLSIBXSMFBGYJX-CQSZACIVSA-N 1 0 328.412 2.758 20 10 EFCDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846144765 1280051629 /nfs/dbraw/zinc/05/16/29/1280051629.db2.gz LXXURYXVAGIDLO-SJCJKPOMSA-N 1 0 347.411 2.802 20 10 EFCDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846144769 1280051728 /nfs/dbraw/zinc/05/17/28/1280051728.db2.gz LXXURYXVAGIDLO-SJKOYZFVSA-N 1 0 347.411 2.802 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c1O ZINC000846144249 1280052213 /nfs/dbraw/zinc/05/22/13/1280052213.db2.gz IMIPPAPLLQKKAE-HNNXBMFYSA-N 1 0 334.460 2.696 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000846145388 1280052484 /nfs/dbraw/zinc/05/24/84/1280052484.db2.gz ALDPAFLIVJUUNX-YOEHRIQHSA-N 1 0 340.423 2.853 20 10 EFCDRO C[C@@H]([NH2+][C@@H](CO)CCF)c1ccc(N2CCOCC2)cc1Cl ZINC000846207695 1280055808 /nfs/dbraw/zinc/05/58/08/1280055808.db2.gz BUDZTDYKKNPOBD-CHWSQXEVSA-N 1 0 330.831 2.548 20 10 EFCDRO C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1cc(Br)ccc1O ZINC000846214922 1280071303 /nfs/dbraw/zinc/07/13/03/1280071303.db2.gz OKTMOISRNVLJOD-IAQYHMDHSA-N 1 0 344.249 2.737 20 10 EFCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846442424 1280182306 /nfs/dbraw/zinc/18/23/06/1280182306.db2.gz QKWQYEWJDBIEDQ-OAHLLOKOSA-N 1 0 335.492 2.757 20 10 EFCDRO CC[C@H](C(=O)NCc1cc(Cl)ccc1O)N1CCO[C@H](CC)C1 ZINC000846475725 1280191634 /nfs/dbraw/zinc/19/16/34/1280191634.db2.gz GSJXCKULTSVDAO-HUUCEWRRSA-N 1 0 340.851 2.551 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cncc(Cl)c2C)cc1C ZINC001129929468 1280377284 /nfs/dbraw/zinc/37/72/84/1280377284.db2.gz QQKWDBAUQUHKDR-UHFFFAOYSA-N 1 0 347.846 2.880 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCc3ccccc3C2)cc1 ZINC000846663666 1280380714 /nfs/dbraw/zinc/38/07/14/1280380714.db2.gz LGSLJKIIOTYBHA-ICSRJNTNSA-N 1 0 337.467 2.674 20 10 EFCDRO COc1ccc(N(C)CCN(C)C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000846697649 1280426688 /nfs/dbraw/zinc/42/66/88/1280426688.db2.gz TZIWCPZCRJLDQH-DLBZAZTESA-N 1 0 347.503 2.616 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CN(c3ccccc3)CCO2)c1 ZINC000846845164 1280571496 /nfs/dbraw/zinc/57/14/96/1280571496.db2.gz UHFCXLOZKOXDAL-YJBOKZPZSA-N 1 0 342.439 2.957 20 10 EFCDRO COCc1sccc1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001130255085 1280621552 /nfs/dbraw/zinc/62/15/52/1280621552.db2.gz GJJORXSXDNXWGI-UHFFFAOYSA-N 1 0 348.468 2.731 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)CC2CC(F)(F)C2)cc1C ZINC001130431900 1280871856 /nfs/dbraw/zinc/87/18/56/1280871856.db2.gz CRNYHWGKIVXWGS-UHFFFAOYSA-N 1 0 326.387 2.645 20 10 EFCDRO C[C@H](C[C@@H](C)[NH2+]CCCF)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146664798 1280967149 /nfs/dbraw/zinc/96/71/49/1280967149.db2.gz UHWXNMOBOJLLCK-VXGBXAGGSA-N 1 0 337.399 2.695 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCO[C@@H](C(C)C)C2)cc1C ZINC001146776005 1281030256 /nfs/dbraw/zinc/03/02/56/1281030256.db2.gz BGDUIYKQBGXLBZ-PKOBYXMFSA-N 1 0 348.487 2.661 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2[nH]cnc2C)cc1C ZINC001146830315 1281055193 /nfs/dbraw/zinc/05/51/93/1281055193.db2.gz LMUOZVNFFOBXKN-KBPBESRZSA-N 1 0 344.459 2.722 20 10 EFCDRO CC[C@@H]1C[C@@H](CC(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)CCO1 ZINC001146959748 1281074291 /nfs/dbraw/zinc/07/42/91/1281074291.db2.gz OZDXXBORCGBYES-FUHWJXTLSA-N 1 0 348.487 2.805 20 10 EFCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000806635471 1281119603 /nfs/dbraw/zinc/11/96/03/1281119603.db2.gz SGWLQTGIKDHDGR-SFHVURJKSA-N 1 0 344.503 2.743 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000806821026 1281158871 /nfs/dbraw/zinc/15/88/71/1281158871.db2.gz JDEOTZIYSYQWLV-LPHOPBHVSA-N 1 0 344.503 2.829 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000806821027 1281159481 /nfs/dbraw/zinc/15/94/81/1281159481.db2.gz JDEOTZIYSYQWLV-QFBILLFUSA-N 1 0 344.503 2.829 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3cn(C(C)C)nn3)CC2)cc1 ZINC000808385425 1281697305 /nfs/dbraw/zinc/69/73/05/1281697305.db2.gz NGLDLGMPGRKKED-UHFFFAOYSA-N 1 0 329.448 2.626 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]C[C@@H](CO)C(C)C)c1O ZINC000808421936 1281709944 /nfs/dbraw/zinc/70/99/44/1281709944.db2.gz UMCOKIYMNQDAKK-NSHDSACASA-N 1 0 332.238 2.517 20 10 EFCDRO CC(C)[C@H](CO)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000808422079 1281710005 /nfs/dbraw/zinc/71/00/05/1281710005.db2.gz WFVIRGJUDHOGKV-INIZCTEOSA-N 1 0 335.448 2.939 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN[C@H](C3CC3)C(F)(F)F)cc2)CC1 ZINC000808438737 1281711887 /nfs/dbraw/zinc/71/18/87/1281711887.db2.gz MCWDAVVJSVESFW-MRXNPFEDSA-N 1 0 327.394 2.869 20 10 EFCDRO OC[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1 ZINC000808431182 1281725889 /nfs/dbraw/zinc/72/58/89/1281725889.db2.gz OZKGHKUIUPITRT-ZDUSSCGKSA-N 1 0 335.787 2.640 20 10 EFCDRO CCN(CCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O)S(C)(=O)=O ZINC000808678039 1281862688 /nfs/dbraw/zinc/86/26/88/1281862688.db2.gz IXRJBBNHJJBBNL-GFCCVEGCSA-N 1 0 348.896 2.676 20 10 EFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)c1O ZINC000808707769 1281867389 /nfs/dbraw/zinc/86/73/89/1281867389.db2.gz YFJINIYFENMXRX-IAQYHMDHSA-N 1 0 348.834 2.544 20 10 EFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c1O ZINC000808713081 1281869903 /nfs/dbraw/zinc/86/99/03/1281869903.db2.gz LBLBJSYDLUNERG-TZMCWYRMSA-N 1 0 341.835 2.927 20 10 EFCDRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808718664 1281871821 /nfs/dbraw/zinc/87/18/21/1281871821.db2.gz PZZUVPJMWDEFMH-GWCFXTLKSA-N 1 0 330.881 2.872 20 10 EFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(OCCO)CCOCC2)c1O ZINC000808718467 1281871844 /nfs/dbraw/zinc/87/18/44/1281871844.db2.gz UPSUNPJINXCPJM-CYBMUJFWSA-N 1 0 343.851 2.563 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)c1 ZINC000808722556 1281872790 /nfs/dbraw/zinc/87/27/90/1281872790.db2.gz FTXGCBPJQCMZNH-BAGBSZHRSA-N 1 0 332.444 2.698 20 10 EFCDRO COc1cncc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000808743505 1281892932 /nfs/dbraw/zinc/89/29/32/1281892932.db2.gz GSVWRGBGDQSCAK-HNNXBMFYSA-N 1 0 327.428 2.778 20 10 EFCDRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809538281 1282272028 /nfs/dbraw/zinc/27/20/28/1282272028.db2.gz CYHJYQFWYZKVEE-FQEVSTJZSA-N 1 0 349.478 2.947 20 10 EFCDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(OCC)cc1O ZINC000809691702 1282377728 /nfs/dbraw/zinc/37/77/28/1282377728.db2.gz QAWKCRXFLKVOOG-OAHLLOKOSA-N 1 0 336.432 2.892 20 10 EFCDRO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000809726726 1282408772 /nfs/dbraw/zinc/40/87/72/1282408772.db2.gz URRXYCNQSDUCNZ-OAHLLOKOSA-N 1 0 336.432 2.892 20 10 EFCDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809704044 1282415718 /nfs/dbraw/zinc/41/57/18/1282415718.db2.gz UFUBKOLRXDHADP-WMZOPIPTSA-N 1 0 347.478 2.721 20 10 EFCDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809704038 1282415910 /nfs/dbraw/zinc/41/59/10/1282415910.db2.gz UFUBKOLRXDHADP-AEFFLSMTSA-N 1 0 347.478 2.721 20 10 EFCDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809724536 1282427044 /nfs/dbraw/zinc/42/70/44/1282427044.db2.gz OMJRSPNQVQPYLR-QFBILLFUSA-N 1 0 347.478 2.721 20 10 EFCDRO O[C@H](CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000809747513 1282446818 /nfs/dbraw/zinc/44/68/18/1282446818.db2.gz BNZRTBORMWJBFE-HXUWFJFHSA-N 1 0 344.430 2.876 20 10 EFCDRO COc1cccc(CN(CC[NH+](C)C)Cc2c(O)cccc2OC)c1 ZINC000809752627 1282454432 /nfs/dbraw/zinc/45/44/32/1282454432.db2.gz UFKSCVDWWSHREI-UHFFFAOYSA-N 1 0 344.455 2.973 20 10 EFCDRO CC(C)[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@]2(C)C1 ZINC001092311206 1282561029 /nfs/dbraw/zinc/56/10/29/1282561029.db2.gz KXHGDSDUIGIPKM-KDOFPFPSSA-N 1 0 343.431 2.651 20 10 EFCDRO CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000815561436 1287596787 /nfs/dbraw/zinc/59/67/87/1287596787.db2.gz HJBUIXXFURJFBY-HNNXBMFYSA-N 1 0 342.439 2.985 20 10 EFCDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000828419487 1287597500 /nfs/dbraw/zinc/59/75/00/1287597500.db2.gz DKIKYCCZCOBCIP-ZDUSSCGKSA-N 1 0 346.500 2.776 20 10 EFCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)c(O)c1 ZINC000815564604 1287598563 /nfs/dbraw/zinc/59/85/63/1287598563.db2.gz NMTJEAYOAXAATA-HOCLYGCPSA-N 1 0 329.444 2.926 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@]1(C)CCCO1 ZINC000815564933 1287598777 /nfs/dbraw/zinc/59/87/77/1287598777.db2.gz XSXICCDWKQONDV-LIRRHRJNSA-N 1 0 336.451 2.834 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815576826 1287608664 /nfs/dbraw/zinc/60/86/64/1287608664.db2.gz ZFYXPPBRBPMGHO-QWHCGFSZSA-N 1 0 345.409 2.698 20 10 EFCDRO CN(C)C[C@@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815577159 1287609235 /nfs/dbraw/zinc/60/92/35/1287609235.db2.gz IBBBPWTYYMGWTK-PKOBYXMFSA-N 1 0 328.456 2.578 20 10 EFCDRO CC[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1ccc(C(F)(F)F)cc1O ZINC000810238654 1283090899 /nfs/dbraw/zinc/09/08/99/1283090899.db2.gz RRKOSTKXFQLCJY-XEGUGMAKSA-N 1 0 333.350 2.992 20 10 EFCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(CC(N)=O)cc2)c2c1c(F)ccc2O ZINC000810242039 1283094758 /nfs/dbraw/zinc/09/47/58/1283094758.db2.gz JEVXWGKPNXZKHS-NHYWBVRUSA-N 1 0 328.387 2.897 20 10 EFCDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815592729 1287619207 /nfs/dbraw/zinc/61/92/07/1287619207.db2.gz QMNXWHDVBIJSPN-VHSXEESVSA-N 1 0 339.379 2.885 20 10 EFCDRO COc1c(NCc2cc3ccccc3cc2O)ncnc1C1C[NH2+]C1 ZINC001171402471 1283489104 /nfs/dbraw/zinc/48/91/04/1283489104.db2.gz MZRWWACWUCWYLI-UHFFFAOYSA-N 1 0 336.395 2.643 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2c[nH]nc2C)cc1C ZINC001135144332 1287662184 /nfs/dbraw/zinc/66/21/84/1287662184.db2.gz XTLCRMMYBAXKEJ-KGLIPLIRSA-N 1 0 344.459 2.722 20 10 EFCDRO COc1ccc(C[NH2+]C2CCC3(CC2)CN(C(C)=O)CCO3)cc1C ZINC001093385240 1283862119 /nfs/dbraw/zinc/86/21/19/1283862119.db2.gz NTQONQVUVZVKQO-UHFFFAOYSA-N 1 0 346.471 2.653 20 10 EFCDRO CCOCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001132613454 1284008665 /nfs/dbraw/zinc/00/86/65/1284008665.db2.gz HBWPMLSKFYMOMV-QAPCUYQASA-N 1 0 348.487 2.614 20 10 EFCDRO CC[C@H](OC)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001093669285 1284360534 /nfs/dbraw/zinc/36/05/34/1284360534.db2.gz VOYVEGIMZKSWPF-NXHRZFHOSA-N 1 0 348.487 2.613 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](C)CC2(C)OCCO2)c1O ZINC000716013117 1284448272 /nfs/dbraw/zinc/44/82/72/1284448272.db2.gz DTLAVSXIFOIQHZ-LLVKDONJSA-N 1 0 329.824 2.933 20 10 EFCDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000811930067 1284754844 /nfs/dbraw/zinc/75/48/44/1284754844.db2.gz REMAHZMGHXNQJD-MRXNPFEDSA-N 1 0 346.519 2.989 20 10 EFCDRO Oc1ccc([C@@H](O)C[NH2+][C@H]2CCc3cc(F)cc(F)c3C2)cc1O ZINC001170654884 1284780889 /nfs/dbraw/zinc/78/08/89/1284780889.db2.gz MWPFGUBKCUWIRZ-UGSOOPFHSA-N 1 0 335.350 2.557 20 10 EFCDRO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000811977253 1284791012 /nfs/dbraw/zinc/79/10/12/1284791012.db2.gz CSIRKQIQPPQOJX-KBPBESRZSA-N 1 0 337.464 2.881 20 10 EFCDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000811974617 1284791352 /nfs/dbraw/zinc/79/13/52/1284791352.db2.gz UCVXLZKJASVWDV-CQSZACIVSA-N 1 0 338.471 2.811 20 10 EFCDRO COc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)c2ncc[nH]2)cc1C ZINC001170658816 1284820356 /nfs/dbraw/zinc/82/03/56/1284820356.db2.gz XPZHCACYJDJWNE-HNNXBMFYSA-N 1 0 344.459 2.805 20 10 EFCDRO COC1CCN(c2ccc(C[N@@H+]3CCN(C)CC3(C)C)cc2)CC1 ZINC000828577277 1285135494 /nfs/dbraw/zinc/13/54/94/1285135494.db2.gz YEJFZIHZYFIALX-UHFFFAOYSA-N 1 0 331.504 2.828 20 10 EFCDRO Oc1ccc([C@H](O)C[NH2+][C@H]2CCc3cc(F)c(F)cc3C2)cc1O ZINC001171447292 1285215895 /nfs/dbraw/zinc/21/58/95/1285215895.db2.gz ZUNHESTUXMNZND-SCLBCKFNSA-N 1 0 335.350 2.557 20 10 EFCDRO CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)CC[C@H]21 ZINC001036905344 1285401688 /nfs/dbraw/zinc/40/16/88/1285401688.db2.gz IEUYGCIKZYITIB-GOEBONIOSA-N 1 0 343.431 2.795 20 10 EFCDRO CCOc1cccc(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1O ZINC000812779227 1285411909 /nfs/dbraw/zinc/41/19/09/1285411909.db2.gz YZEUKKJQFWIUPL-GOSISDBHSA-N 1 0 342.439 2.970 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CN1Cc1ccccc1 ZINC001171731651 1285748291 /nfs/dbraw/zinc/74/82/91/1285748291.db2.gz CTWHEAIDJKSDHU-RHSMWYFYSA-N 1 0 340.423 2.533 20 10 EFCDRO C[C@H]([NH2+][C@H]1CC(=O)N(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC001171691644 1285753284 /nfs/dbraw/zinc/75/32/84/1285753284.db2.gz UFJCYXQJBPPRDM-ZFWWWQNUSA-N 1 0 347.459 2.939 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2C[C@@H]([NH3+])CC(F)(F)C2)c1 ZINC001206145924 1285799118 /nfs/dbraw/zinc/79/91/18/1285799118.db2.gz LNXDEACHQGGBOQ-JTQLQIEISA-N 1 0 335.192 2.631 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(C3OCCO3)s2)c1 ZINC000813330763 1285813913 /nfs/dbraw/zinc/81/39/13/1285813913.db2.gz GVUXKJCZVBDMHD-SNVBAGLBSA-N 1 0 336.413 2.754 20 10 EFCDRO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]Cc2ccc(O)cc2O)CC1 ZINC001171871175 1285832358 /nfs/dbraw/zinc/83/23/58/1285832358.db2.gz JCBKFTKDPTXRQO-QGZVFWFLSA-N 1 0 340.423 2.882 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)COCC2CC2)cc1C ZINC001133779000 1285917627 /nfs/dbraw/zinc/91/76/27/1285917627.db2.gz JNWJDHYMSNKBDW-CVEARBPZSA-N 1 0 348.487 2.803 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172190832 1286037056 /nfs/dbraw/zinc/03/70/56/1286037056.db2.gz SHHDEKSWICCHTL-RBUKOAKNSA-N 1 0 327.472 2.872 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2cc(C)n[nH]2)cc1C ZINC001133876055 1286061750 /nfs/dbraw/zinc/06/17/50/1286061750.db2.gz QZGSBFRLMHZFFV-ZIAGYGMSSA-N 1 0 344.459 2.722 20 10 EFCDRO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c(O)c1O ZINC000813828390 1286130947 /nfs/dbraw/zinc/13/09/47/1286130947.db2.gz RXUFBBGACBDZFN-WMLDXEAASA-N 1 0 340.423 2.799 20 10 EFCDRO O=C1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCN1Cc1ccccc1 ZINC001172662515 1286223405 /nfs/dbraw/zinc/22/34/05/1286223405.db2.gz AKLKOCNIFKRYLX-IBGZPJMESA-N 1 0 336.435 2.902 20 10 EFCDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000814171362 1286353672 /nfs/dbraw/zinc/35/36/72/1286353672.db2.gz LXJRTQVJYSJSIL-FQEVSTJZSA-N 1 0 341.407 2.718 20 10 EFCDRO C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001172956227 1286370709 /nfs/dbraw/zinc/37/07/09/1286370709.db2.gz YCVUWCZVAKQWIT-ZDUSSCGKSA-N 1 0 338.448 2.875 20 10 EFCDRO CC[N@@H+]1CC[C@H](N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001173370425 1286554462 /nfs/dbraw/zinc/55/44/62/1286554462.db2.gz ZIJCZXKWIYTWQI-HNNXBMFYSA-N 1 0 343.393 2.801 20 10 EFCDRO Cc1cc(CN2CC[C@H]([NH3+])[C@@H](F)CC2)c(O)cc1Br ZINC001206209984 1286738415 /nfs/dbraw/zinc/73/84/15/1286738415.db2.gz JEGXLWWLNNIJKV-STQMWFEESA-N 1 0 331.229 2.724 20 10 EFCDRO COC(=O)c1cc(Br)cc(Nc2cc[nH+]cc2C)c1O ZINC001174540038 1287040115 /nfs/dbraw/zinc/04/01/15/1287040115.db2.gz SKECIZYMZYTQGM-UHFFFAOYSA-N 1 0 337.173 2.810 20 10 EFCDRO COCCC1(C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001174651278 1287117870 /nfs/dbraw/zinc/11/78/70/1287117870.db2.gz QUOWMMWMJYYILM-UHFFFAOYSA-N 1 0 348.487 2.806 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2conc2C)cc1C ZINC001135367398 1287976577 /nfs/dbraw/zinc/97/65/77/1287976577.db2.gz NCUYYWVGGXQMOR-KGLIPLIRSA-N 1 0 345.443 2.987 20 10 EFCDRO Oc1c(C[NH+]2CCN(C[C@@H]3CCCO3)CC2)ccc2ccccc21 ZINC000816482028 1288154094 /nfs/dbraw/zinc/15/40/94/1288154094.db2.gz RSBSUUPFASNNNZ-SFHVURJKSA-N 1 0 326.440 2.842 20 10 EFCDRO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816493437 1288161928 /nfs/dbraw/zinc/16/19/28/1288161928.db2.gz BOPBBFQNZIMHGD-MRXNPFEDSA-N 1 0 325.412 2.535 20 10 EFCDRO Oc1c(C[N@@H+]2CCC[C@H]2CN2CCOCC2)ccc2ccccc21 ZINC000816494367 1288162048 /nfs/dbraw/zinc/16/20/48/1288162048.db2.gz IULGTTHKRFLMIN-SFHVURJKSA-N 1 0 326.440 2.842 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000816549472 1288198432 /nfs/dbraw/zinc/19/84/32/1288198432.db2.gz OZLPIBIUQFQTEF-UHFFFAOYSA-N 1 0 325.412 2.796 20 10 EFCDRO O=S1(=O)C[C@H](NCc2cc(Cl)c(F)cc2[O-])c2ccccc21 ZINC000816558322 1288210989 /nfs/dbraw/zinc/21/09/89/1288210989.db2.gz UPNTXGXJWAFJRY-ZDUSSCGKSA-N 1 0 341.791 2.803 20 10 EFCDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816609053 1288222912 /nfs/dbraw/zinc/22/29/12/1288222912.db2.gz QQPQDGYDKVFUON-CRAIPNDOSA-N 1 0 326.440 2.840 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)cc1C ZINC000816641456 1288227611 /nfs/dbraw/zinc/22/76/11/1288227611.db2.gz SOYYJQNSSURGJS-IBGZPJMESA-N 1 0 338.451 2.942 20 10 EFCDRO CC[C@H]1C[N@H+](C)CCN1Cc1cc(C)cc(Br)c1O ZINC000816660947 1288233363 /nfs/dbraw/zinc/23/33/63/1288233363.db2.gz VVKCNRLJBXJTEH-ZDUSSCGKSA-N 1 0 327.266 2.989 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000816666709 1288237335 /nfs/dbraw/zinc/23/73/35/1288237335.db2.gz UXQNPFGARRJJOL-UXHICEINSA-N 1 0 328.456 2.667 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCCC[C@H]2OC)cc1C ZINC001177255459 1288353237 /nfs/dbraw/zinc/35/32/37/1288353237.db2.gz MIIZJXUOJBQPNM-IEBWSBKVSA-N 1 0 348.487 2.805 20 10 EFCDRO C[NH+](C)CCn1c(=O)oc2ccc(NCc3cc(F)ccc3O)cc21 ZINC000817410647 1288590532 /nfs/dbraw/zinc/59/05/32/1288590532.db2.gz SAIURTFCRRFILW-UHFFFAOYSA-N 1 0 345.374 2.613 20 10 EFCDRO CCO[C@H](CC)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001178252428 1288708817 /nfs/dbraw/zinc/70/88/17/1288708817.db2.gz UTOJITXEMPBXLV-RYQLBKOJSA-N 1 0 348.487 2.898 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[C@H](C)OC)[C@H]2C)cc1C ZINC001178302060 1288731551 /nfs/dbraw/zinc/73/15/51/1288731551.db2.gz FUOZPRQGWJKYTO-ZOBUZTSGSA-N 1 0 334.460 2.508 20 10 EFCDRO CCCCOCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001178410180 1288779180 /nfs/dbraw/zinc/77/91/80/1288779180.db2.gz MCNGQBYPSYVDFO-WMZOPIPTSA-N 1 0 348.487 2.899 20 10 EFCDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)n1 ZINC001232334919 1312679090 /nfs/dbraw/zinc/67/90/90/1312679090.db2.gz ONAIJQCWJPOQMW-UHFFFAOYSA-N 1 0 341.455 2.867 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cnc(N(C)C)n2C)cc1 ZINC000822442932 1288988518 /nfs/dbraw/zinc/98/85/18/1288988518.db2.gz KMWOWFCUKVJXIN-UHFFFAOYSA-N 1 0 329.492 2.964 20 10 EFCDRO C[NH+]1CCC(N(C(=O)/C=C/c2ccc(O)c(O)c2)C2CCCC2)CC1 ZINC001179687257 1289219806 /nfs/dbraw/zinc/21/98/06/1289219806.db2.gz RGXWQPNSKKHFKZ-VQHVLOKHSA-N 1 0 344.455 2.976 20 10 EFCDRO CN(CC[N@H+](C)Cc1ccccc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179687470 1289220115 /nfs/dbraw/zinc/22/01/15/1289220115.db2.gz WNIWUPYOMDZEEU-PKNBQFBNSA-N 1 0 340.423 2.701 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c2ccccc2n1C ZINC001232401653 1312693885 /nfs/dbraw/zinc/69/38/85/1312693885.db2.gz ANCRZVBVTHGREV-KSSFIOAISA-N 1 0 342.439 2.966 20 10 EFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)cc1 ZINC000823201787 1289241312 /nfs/dbraw/zinc/24/13/12/1289241312.db2.gz JPRJGFTWDCPPRL-VQIMIIECSA-N 1 0 345.487 2.511 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2CCCc3c2cnn3C)N(C)C)cc1 ZINC000903448182 1312693953 /nfs/dbraw/zinc/69/39/53/1312693953.db2.gz LRNMFFLDSRXJKI-UYAOXDASSA-N 1 0 341.503 2.756 20 10 EFCDRO Cc1cc([C@@H](C)[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)n(C)n1 ZINC000903447936 1312694008 /nfs/dbraw/zinc/69/40/08/1312694008.db2.gz GJFCNNZETRZUDQ-DNVCBOLYSA-N 1 0 329.492 2.748 20 10 EFCDRO C[C@@H]1C[C@H](NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c2nccn21 ZINC000903447866 1312694286 /nfs/dbraw/zinc/69/42/86/1312694286.db2.gz DPFRXDUYPJYSRS-JLSDUUJJSA-N 1 0 327.476 2.847 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c2ccccc2n1C ZINC001232401892 1312694314 /nfs/dbraw/zinc/69/43/14/1312694314.db2.gz FWNIYBXDGVOKPM-CXAGYDPISA-N 1 0 330.428 2.558 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC(C)(C)C[C@@]2(C)CO)c2ccccc2n1C ZINC001232401866 1312694424 /nfs/dbraw/zinc/69/44/24/1312694424.db2.gz DVYBNLGGZJBWQX-FQEVSTJZSA-N 1 0 344.455 2.948 20 10 EFCDRO COCC1CC[NH+](Cc2c3ccccc3n(C)c2C(=O)OC)CC1 ZINC001232401523 1312694506 /nfs/dbraw/zinc/69/45/06/1312694506.db2.gz MNILZSKBGWBQLA-UHFFFAOYSA-N 1 0 330.428 2.823 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)CC2)c2ccccc2n1C ZINC001232402958 1312694653 /nfs/dbraw/zinc/69/46/53/1312694653.db2.gz SPPVMSIFWOITTJ-VLIAUNLRSA-N 1 0 344.455 2.948 20 10 EFCDRO CCC1(O)CC[NH+](Cc2c3ccccc3n(C)c2C(=O)OC)CC1 ZINC001232405196 1312694695 /nfs/dbraw/zinc/69/46/95/1312694695.db2.gz HZUPYFWQCLFITG-UHFFFAOYSA-N 1 0 330.428 2.702 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@@](C)(O)CC2)c2ccccc2n1C ZINC001232403109 1312694883 /nfs/dbraw/zinc/69/48/83/1312694883.db2.gz UNARKCPPMLEOKK-LJQANCHMSA-N 1 0 330.428 2.702 20 10 EFCDRO CCN(CCC[NH+](C)C)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232403727 1312695020 /nfs/dbraw/zinc/69/50/20/1312695020.db2.gz BSRJUSOHCUXCMQ-UHFFFAOYSA-N 1 0 331.460 2.739 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@](F)(CO)CC2)c2ccccc2n1C ZINC001232403147 1312695158 /nfs/dbraw/zinc/69/51/58/1312695158.db2.gz VFWDICTZIBWXAB-LJQANCHMSA-N 1 0 348.418 2.651 20 10 EFCDRO CC[NH+]1CCC(N(C)Cc2c3ccccc3n(C)c2C(=O)OC)CC1 ZINC001232405217 1312695200 /nfs/dbraw/zinc/69/52/00/1312695200.db2.gz HLQTYDSYUDZLQJ-UHFFFAOYSA-N 1 0 343.471 2.881 20 10 EFCDRO CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903449025 1312695473 /nfs/dbraw/zinc/69/54/73/1312695473.db2.gz VLRDFLKBXNWCJG-VQTJNVASSA-N 1 0 343.519 2.866 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c2ccccc2n1C ZINC001232405573 1312695624 /nfs/dbraw/zinc/69/56/24/1312695624.db2.gz MXJBQNLLKQVVOF-GUYCJALGSA-N 1 0 328.412 2.576 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@H](CCO)C2)c2ccccc2n1C ZINC001232405758 1312695711 /nfs/dbraw/zinc/69/57/11/1312695711.db2.gz PRTANRXUQHDJCL-CQSZACIVSA-N 1 0 330.428 2.559 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c2ccccc2n1C ZINC001232406090 1312695994 /nfs/dbraw/zinc/69/59/94/1312695994.db2.gz UFGADSCTYSHSLO-HXUWFJFHSA-N 1 0 342.439 2.967 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCCc3nn(C)cc32)N(C)C)cc1 ZINC000903448980 1312696047 /nfs/dbraw/zinc/69/60/47/1312696047.db2.gz UYGJEVCAKISKLU-ICSRJNTNSA-N 1 0 341.503 2.756 20 10 EFCDRO CCn1ccnc1[C@@H](C)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000903449138 1312696069 /nfs/dbraw/zinc/69/60/69/1312696069.db2.gz VPEGTKJWJNRFFD-CRAIPNDOSA-N 1 0 329.492 2.923 20 10 EFCDRO CC[N@@H+]1CCN(Cc2c3ccccc3n(C)c2C(=O)OC)C(C)(C)C1 ZINC001232410377 1312696862 /nfs/dbraw/zinc/69/68/62/1312696862.db2.gz LMZNZJRPSCOVOR-UHFFFAOYSA-N 1 0 343.471 2.881 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c2ccccc2n1C ZINC001232410822 1312697368 /nfs/dbraw/zinc/69/73/68/1312697368.db2.gz TYCMQHLKZXGLTL-UKRRQHHQSA-N 1 0 340.423 2.766 20 10 EFCDRO COC[C@@H](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001179828969 1289290476 /nfs/dbraw/zinc/29/04/76/1289290476.db2.gz SGOVACMSEKZWDU-ZVZYQTTQSA-N 1 0 348.487 2.755 20 10 EFCDRO COc1ccc2ccc(O)c(C[NH+]3CCC4(CCNC4=O)CC3)c2c1 ZINC000872788213 1289383728 /nfs/dbraw/zinc/38/37/28/1289383728.db2.gz LSFZHCPSVLRYPP-UHFFFAOYSA-N 1 0 340.423 2.656 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](C)Cn2ccnc2)cc1Cn1cccn1 ZINC000873024861 1289526651 /nfs/dbraw/zinc/52/66/51/1289526651.db2.gz CPLWTDKOJFWCCX-INIZCTEOSA-N 1 0 339.443 2.562 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)C(=O)N(C)C ZINC000824098731 1289529697 /nfs/dbraw/zinc/52/96/97/1289529697.db2.gz MUZMOEMMSJDANW-CQSZACIVSA-N 1 0 331.485 2.951 20 10 EFCDRO COc1ccc(C[NH2+]CC[S@@](=O)C(C)(C)C)cc1Cn1cccn1 ZINC000873053344 1289541530 /nfs/dbraw/zinc/54/15/30/1289541530.db2.gz IVDQYVOYNREHHK-XMMPIXPASA-N 1 0 349.500 2.577 20 10 EFCDRO COc1ccc(C[NH2+]CC(C)(C)C[C@@H](C)O)cc1Cn1cccn1 ZINC000873059849 1289545261 /nfs/dbraw/zinc/54/52/61/1289545261.db2.gz ACJMWLWTXRROMD-OAHLLOKOSA-N 1 0 331.460 2.827 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](O)c2ccc(C)o2)cc1Cn1cccn1 ZINC000873060422 1289545350 /nfs/dbraw/zinc/54/53/50/1289545350.db2.gz IASAELAOXYFJLV-KRWDZBQOSA-N 1 0 341.411 2.665 20 10 EFCDRO COc1ccc(C[NH2+]CCN2CCC[C@H]2C)cc1Cn1cccn1 ZINC000873066169 1289549249 /nfs/dbraw/zinc/54/92/49/1289549249.db2.gz ZOHYBHYLHUXUJX-MRXNPFEDSA-N 1 0 328.460 2.514 20 10 EFCDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873072636 1289552164 /nfs/dbraw/zinc/55/21/64/1289552164.db2.gz ZFRQKWWCGNNILL-IBGZPJMESA-N 1 0 345.443 2.761 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@H](CC)C(=O)N2CCOCC2)cc1C ZINC000873074247 1289553770 /nfs/dbraw/zinc/55/37/70/1289553770.db2.gz KDSDDKOFPASZIX-KRWDZBQOSA-N 1 0 334.460 2.511 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)cc1Cn1cccn1 ZINC000873075663 1289555209 /nfs/dbraw/zinc/55/52/09/1289555209.db2.gz ZNXNTFACEKSXMG-CRAIPNDOSA-N 1 0 340.471 2.655 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](CO)CC2)cc1Cn1cccn1 ZINC000873076193 1289555243 /nfs/dbraw/zinc/55/52/43/1289555243.db2.gz AMTAJZKUKQLHRV-RHNCMZPLSA-N 1 0 329.444 2.581 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)cc1Cn1cccn1 ZINC000873075666 1289555691 /nfs/dbraw/zinc/55/56/91/1289555691.db2.gz ZNXNTFACEKSXMG-YJBOKZPZSA-N 1 0 340.471 2.655 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)cc1Cn1cccn1 ZINC000873075664 1289555705 /nfs/dbraw/zinc/55/57/05/1289555705.db2.gz ZNXNTFACEKSXMG-MAUKXSAKSA-N 1 0 340.471 2.655 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H]2CCOC2)cc1Cn1cccn1 ZINC000873078088 1289556650 /nfs/dbraw/zinc/55/66/50/1289556650.db2.gz DGFMXHRHSMDZQA-NVXWUHKLSA-N 1 0 329.444 2.845 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cc1Cn1cccn1 ZINC000873078187 1289556957 /nfs/dbraw/zinc/55/69/57/1289556957.db2.gz JLAWBEBKVVOOGM-NLWGTHIKSA-N 1 0 341.455 2.987 20 10 EFCDRO C[C@@H](C(=O)NCc1cc(Cl)c2cccnc2c1O)[NH+]1CCCC1 ZINC001180581889 1289565562 /nfs/dbraw/zinc/56/55/62/1289565562.db2.gz FYLXXNBDHAAIKI-NSHDSACASA-N 1 0 333.819 2.694 20 10 EFCDRO CCCOc1ccc(C[NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)cc1C ZINC000873100806 1289568967 /nfs/dbraw/zinc/56/89/67/1289568967.db2.gz FIBMECNTBRGWLF-SJLPKXTDSA-N 1 0 334.460 2.509 20 10 EFCDRO COc1ccc(C[NH2+]CC[C@@H]2CCCCO2)cc1Cn1cccn1 ZINC000873102013 1289569180 /nfs/dbraw/zinc/56/91/80/1289569180.db2.gz KHUYXTUBEOWGET-SFHVURJKSA-N 1 0 329.444 2.989 20 10 EFCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)cc1C ZINC000873100807 1289569200 /nfs/dbraw/zinc/56/92/00/1289569200.db2.gz FIBMECNTBRGWLF-WMZOPIPTSA-N 1 0 334.460 2.509 20 10 EFCDRO COc1ccc(C[NH2+]C2C[C@H](C)O[C@@H](C)C2)cc1Cn1cccn1 ZINC000873099462 1289569466 /nfs/dbraw/zinc/56/94/66/1289569466.db2.gz JWKVYWFNFPTJGS-GJZGRUSLSA-N 1 0 329.444 2.986 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2Cc3cccc(O)c3C2)cc1Cn1cccn1 ZINC000873114515 1289574950 /nfs/dbraw/zinc/57/49/50/1289574950.db2.gz JDOYWPLLLHHOCV-SFHVURJKSA-N 1 0 349.434 2.903 20 10 EFCDRO CCC[C@@]1([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CCOC1 ZINC000873126203 1289581880 /nfs/dbraw/zinc/58/18/80/1289581880.db2.gz PJEIKWFLXYGQBP-LJQANCHMSA-N 1 0 329.444 2.989 20 10 EFCDRO COc1ccc(C[NH2+]C[C@]2(O)CCC[C@H]2C)cc1Cn1cccn1 ZINC000873128235 1289583701 /nfs/dbraw/zinc/58/37/01/1289583701.db2.gz HZZCWGDOVBEZAO-DNVCBOLYSA-N 1 0 329.444 2.581 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)cc1Cn1cccn1 ZINC000873128234 1289583901 /nfs/dbraw/zinc/58/39/01/1289583901.db2.gz HZZCWGDOVBEZAO-BEFAXECRSA-N 1 0 329.444 2.581 20 10 EFCDRO COc1ccc(C[NH2+]CC2(OC)CCCC2)cc1Cn1cccn1 ZINC000873128606 1289584136 /nfs/dbraw/zinc/58/41/36/1289584136.db2.gz XGBSCRXPMBPQOO-UHFFFAOYSA-N 1 0 329.444 2.989 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](OC)C23CCC3)cc1Cn1cccn1 ZINC000873130982 1289585808 /nfs/dbraw/zinc/58/58/08/1289585808.db2.gz NFUGSPYZWKLGTG-MOPGFXCFSA-N 1 0 341.455 2.987 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(CO)cc2)cc1Cn1cccn1 ZINC000873135079 1289590749 /nfs/dbraw/zinc/59/07/49/1289590749.db2.gz WLKSOPGYIGFDMC-UHFFFAOYSA-N 1 0 337.423 2.722 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)C(=O)NCCF ZINC000824339286 1289613154 /nfs/dbraw/zinc/61/31/54/1289613154.db2.gz RHYTZNAGDWGENQ-CQSZACIVSA-N 1 0 349.475 2.948 20 10 EFCDRO COc1cc(C[N@H+](C)Cc2ccc(O)cc2O)cc(OC)c1OC ZINC001204279054 1289614150 /nfs/dbraw/zinc/61/41/50/1289614150.db2.gz OUVRXGPEMCJZME-UHFFFAOYSA-N 1 0 333.384 2.756 20 10 EFCDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824474346 1289659739 /nfs/dbraw/zinc/65/97/39/1289659739.db2.gz NJVITNJTGUJJDM-GFCCVEGCSA-N 1 0 341.249 2.503 20 10 EFCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824474995 1289661521 /nfs/dbraw/zinc/66/15/21/1289661521.db2.gz XEOOMTVEARAEAM-GFCCVEGCSA-N 1 0 342.233 2.930 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 ZINC000824608733 1289725315 /nfs/dbraw/zinc/72/53/15/1289725315.db2.gz OGORELDHKVYXAN-AWEZNQCLSA-N 1 0 334.460 2.905 20 10 EFCDRO CC(=O)N(C)C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824632922 1289732154 /nfs/dbraw/zinc/73/21/54/1289732154.db2.gz ULMHDPUJCLXAPG-UHFFFAOYSA-N 1 0 341.249 2.597 20 10 EFCDRO COc1ccc(N2CC[NH+](Cc3c[nH]c4nccnc34)CC2)c(C)c1 ZINC001232549028 1312729317 /nfs/dbraw/zinc/72/93/17/1312729317.db2.gz QHGQMXXPLAZHSI-UHFFFAOYSA-N 1 0 337.427 2.549 20 10 EFCDRO CCOc1ccnc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC001232582317 1312738325 /nfs/dbraw/zinc/73/83/25/1312738325.db2.gz DBVJFLVPXCFPGS-UHFFFAOYSA-N 1 0 341.455 2.949 20 10 EFCDRO Cc1cc(Br)cc(CN2CCC[C@H]([NH+](C)C)C2)c1O ZINC000124585580 1289946354 /nfs/dbraw/zinc/94/63/54/1289946354.db2.gz BCELPRKXUGVPOA-AWEZNQCLSA-N 1 0 327.266 2.989 20 10 EFCDRO O=C(NCc1cc(Cl)c2cccnc2c1O)[C@H]1C[NH+]2CCC1CC2 ZINC001182017421 1290061462 /nfs/dbraw/zinc/06/14/62/1290061462.db2.gz KZWUKDQVXQGIEO-AWEZNQCLSA-N 1 0 345.830 2.552 20 10 EFCDRO COc1ccc(N2CC[NH+](Cc3c[nH]c4ncncc34)CC2)c(C)c1 ZINC001232657914 1312754547 /nfs/dbraw/zinc/75/45/47/1312754547.db2.gz GONKLNUYYSBJBQ-UHFFFAOYSA-N 1 0 337.427 2.549 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](O)C[C@H]2C)c1O ZINC001204339282 1290184551 /nfs/dbraw/zinc/18/45/51/1290184551.db2.gz FDQBBGDRSIJBHU-SKDRFNHKSA-N 1 0 330.222 2.509 20 10 EFCDRO CCO[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)C(C)C ZINC001182489150 1290215969 /nfs/dbraw/zinc/21/59/69/1290215969.db2.gz GWPXYJYNXRMZOL-IEBWSBKVSA-N 1 0 348.487 2.755 20 10 EFCDRO COc1ccc(N2CC[NH+](Cc3ccc(CCO)cc3)CC2)c(C)c1 ZINC001232780787 1312777771 /nfs/dbraw/zinc/77/77/71/1312777771.db2.gz NBYZOYZKTMSLLJ-UHFFFAOYSA-N 1 0 340.467 2.861 20 10 EFCDRO COC(=O)C[C@H]1CC[N@H+](Cc2cc(C)c(Br)cc2O)C1 ZINC001250135657 1290402868 /nfs/dbraw/zinc/40/28/68/1290402868.db2.gz HJJPFZVRGSUZJN-LLVKDONJSA-N 1 0 342.233 2.848 20 10 EFCDRO C[C@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)C[NH+]1CCCC1 ZINC000125407567 1290523596 /nfs/dbraw/zinc/52/35/96/1290523596.db2.gz OTTZVYQPIFYVHM-MRXNPFEDSA-N 1 0 344.503 2.600 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](C)c2ccco2)cc1C ZINC001166535992 1312790301 /nfs/dbraw/zinc/79/03/01/1312790301.db2.gz XFHAPNZCADZUPE-HNNXBMFYSA-N 1 0 330.428 2.996 20 10 EFCDRO COc1ccc(N2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)cc1 ZINC001232835073 1312790919 /nfs/dbraw/zinc/79/09/19/1312790919.db2.gz UTNPGDWVXMQNNW-UHFFFAOYSA-N 1 0 341.455 2.789 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(Oc3ccncc3)CC2)c(O)c1 ZINC001232837015 1312791782 /nfs/dbraw/zinc/79/17/82/1312791782.db2.gz ZEDWNXLAIWZVGQ-UHFFFAOYSA-N 1 0 327.428 2.897 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCN(c3cc(Cl)ccn3)CC2)c(O)c1 ZINC001232839375 1312792393 /nfs/dbraw/zinc/79/23/93/1312792393.db2.gz IDWNRBCRWGGUTE-UHFFFAOYSA-N 1 0 346.862 2.829 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)c(O)c1 ZINC001232839696 1312792419 /nfs/dbraw/zinc/79/24/19/1312792419.db2.gz UAVSSMXSDRRKBS-LJQANCHMSA-N 1 0 325.456 2.947 20 10 EFCDRO CC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232837876 1312792428 /nfs/dbraw/zinc/79/24/28/1312792428.db2.gz OAEVXBKWHCKZDO-FQEVSTJZSA-N 1 0 345.487 2.825 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCN(CCc3cccs3)CC2)c(O)c1 ZINC001232838228 1312792480 /nfs/dbraw/zinc/79/24/80/1312792480.db2.gz BTRHQLUSWSYXAZ-UHFFFAOYSA-N 1 0 345.512 2.880 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCN(Cc3ccccc3F)CC2)c(O)c1 ZINC001232838608 1312792543 /nfs/dbraw/zinc/79/25/43/1312792543.db2.gz HLDRGKPROGOREK-UHFFFAOYSA-N 1 0 343.446 2.915 20 10 EFCDRO CC(C)N1CC2(CC1=O)CC[NH+](Cc1ccc(N(C)C)cc1O)CC2 ZINC001232841596 1312792804 /nfs/dbraw/zinc/79/28/04/1312792804.db2.gz LCAIFZPGCUYOSK-UHFFFAOYSA-N 1 0 345.487 2.681 20 10 EFCDRO Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3O)C2)n1 ZINC001232841540 1312793227 /nfs/dbraw/zinc/79/32/27/1312793227.db2.gz IWFCSCDKDAJZFP-QGZVFWFLSA-N 1 0 342.443 2.600 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1 ZINC001232840825 1312793239 /nfs/dbraw/zinc/79/32/39/1312793239.db2.gz LBMDWGPLHCFJRE-GOEBONIOSA-N 1 0 347.459 2.509 20 10 EFCDRO CCOc1cccc(N2CC[NH+](Cc3cccc(OC)c3O)CC2)n1 ZINC000092034065 1290628175 /nfs/dbraw/zinc/62/81/75/1290628175.db2.gz JUGOZTFPVDMEMG-UHFFFAOYSA-N 1 0 343.427 2.517 20 10 EFCDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092100418 1290644888 /nfs/dbraw/zinc/64/48/88/1290644888.db2.gz CEMZCJAWYSCPHO-LJQANCHMSA-N 1 0 329.488 2.977 20 10 EFCDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1O ZINC000903519295 1312803080 /nfs/dbraw/zinc/80/30/80/1312803080.db2.gz VTQJXDBKZIJBSW-VXGBXAGGSA-N 1 0 336.741 2.570 20 10 EFCDRO CCC[NH2+]C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001185771905 1290759220 /nfs/dbraw/zinc/75/92/20/1290759220.db2.gz PCDWXMTYECRKHZ-DZGCQCFKSA-N 1 0 345.447 2.947 20 10 EFCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000092710284 1290876918 /nfs/dbraw/zinc/87/69/18/1290876918.db2.gz PNYRYLQVZJEJCR-INIZCTEOSA-N 1 0 334.460 2.919 20 10 EFCDRO COc1cc(Br)cc(CN2CCC[C@H]([NH+](C)C)C2)c1O ZINC000092938329 1290943151 /nfs/dbraw/zinc/94/31/51/1290943151.db2.gz XZULQMILPFCODH-ZDUSSCGKSA-N 1 0 343.265 2.689 20 10 EFCDRO CSCC[N@H+](C)Cc1ccc(I)cc1O ZINC001232978065 1312823965 /nfs/dbraw/zinc/82/39/65/1312823965.db2.gz WASADSNUOPSGQW-UHFFFAOYSA-N 1 0 337.226 2.792 20 10 EFCDRO COc1cccc([C@@H]([NH3+])C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000876728201 1290992076 /nfs/dbraw/zinc/99/20/76/1290992076.db2.gz IDJYICSAIDGBDX-LJQANCHMSA-N 1 0 339.439 2.612 20 10 EFCDRO CC(C)CC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000876731175 1290993189 /nfs/dbraw/zinc/99/31/89/1290993189.db2.gz PGPHSZXXLLMSHV-QGZVFWFLSA-N 1 0 335.517 2.620 20 10 EFCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000876781825 1291023377 /nfs/dbraw/zinc/02/33/77/1291023377.db2.gz NVURLCFATBNENM-ZWKOTPCHSA-N 1 0 330.472 2.506 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC3CCCCC3)cc2)CC1 ZINC001186886820 1291033979 /nfs/dbraw/zinc/03/39/79/1291033979.db2.gz JVOSFVBWFMBPAJ-UHFFFAOYSA-N 1 0 344.503 2.818 20 10 EFCDRO Cc1cc(O)c(CN(CC[NH+](C)C)C[C@H]2CCCO2)cc1Cl ZINC000825910653 1291034839 /nfs/dbraw/zinc/03/48/39/1291034839.db2.gz ILCXBUAKSPZBJU-OAHLLOKOSA-N 1 0 326.868 2.897 20 10 EFCDRO COCCC[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001186902995 1291047187 /nfs/dbraw/zinc/04/71/87/1291047187.db2.gz TZXZVJWXWWDVAL-CRAIPNDOSA-N 1 0 348.487 2.757 20 10 EFCDRO CC(C)CC[C@@H]([NH3+])C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000876872796 1291053923 /nfs/dbraw/zinc/05/39/23/1291053923.db2.gz NFAPGCXLOLPYRL-IAGOWNOFSA-N 1 0 334.460 2.663 20 10 EFCDRO CC(C)CC[C@H]([NH3+])C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000876872798 1291054244 /nfs/dbraw/zinc/05/42/44/1291054244.db2.gz NFAPGCXLOLPYRL-SJORKVTESA-N 1 0 334.460 2.663 20 10 EFCDRO Cc1cccc(O)c1C[NH2+][C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000876874442 1291055399 /nfs/dbraw/zinc/05/53/99/1291055399.db2.gz FOVIAVUAEALUKX-HXUWFJFHSA-N 1 0 339.483 2.779 20 10 EFCDRO CN(C)[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccco1 ZINC000876890999 1291059916 /nfs/dbraw/zinc/05/99/16/1291059916.db2.gz NNXQZWXQWVSCLG-LJQANCHMSA-N 1 0 343.471 2.633 20 10 EFCDRO Cc1ccc([C@@H](C[NH2+]Cc2c(C)cccc2O)N2CCOCC2)o1 ZINC000876903394 1291066192 /nfs/dbraw/zinc/06/61/92/1291066192.db2.gz NBSGOAONFYRHPI-QGZVFWFLSA-N 1 0 330.428 2.765 20 10 EFCDRO O=C(NCCC(F)(F)F)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001187039303 1291081084 /nfs/dbraw/zinc/08/10/84/1291081084.db2.gz COWWQNSKZVXJDO-UHFFFAOYSA-N 1 0 345.365 2.608 20 10 EFCDRO C[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)N1CCCCC1 ZINC000876957494 1291086984 /nfs/dbraw/zinc/08/69/84/1291086984.db2.gz XPRKEPAPHGNTGO-QGZVFWFLSA-N 1 0 331.504 2.612 20 10 EFCDRO Nc1c(F)cccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000876965980 1291090380 /nfs/dbraw/zinc/09/03/80/1291090380.db2.gz ODVAZRHALGUSTD-UHFFFAOYSA-N 1 0 347.409 2.798 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]CCC3CCOCC3)cc2F)CC1 ZINC000876966704 1291090632 /nfs/dbraw/zinc/09/06/32/1291090632.db2.gz YPDDVEJKFDFTAK-UHFFFAOYSA-N 1 0 336.451 2.693 20 10 EFCDRO Oc1cc(CN2CCC[N@H+](Cc3ccccc3)CC2)cc(O)c1O ZINC001233013220 1312832015 /nfs/dbraw/zinc/83/20/15/1312832015.db2.gz PRVUMWJKESSNLI-UHFFFAOYSA-N 1 0 328.412 2.511 20 10 EFCDRO Oc1cc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)cc(O)c1O ZINC001233011265 1312832043 /nfs/dbraw/zinc/83/20/43/1312832043.db2.gz BOPKPICMMSSTLM-VKJFTORMSA-N 1 0 333.428 2.831 20 10 EFCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccsc1 ZINC000877050541 1291117461 /nfs/dbraw/zinc/11/74/61/1291117461.db2.gz BZWLFQJGLDOAIG-IBGZPJMESA-N 1 0 346.496 2.707 20 10 EFCDRO CCN(Cc1cc(O)c(O)c(O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233016776 1312833084 /nfs/dbraw/zinc/83/30/84/1312833084.db2.gz NZPWAISJNVZDER-QGZVFWFLSA-N 1 0 342.439 2.900 20 10 EFCDRO Oc1cc(C[NH+]2CCC3(CC2)OCCc2ccccc23)cc(O)c1O ZINC001233017099 1312833244 /nfs/dbraw/zinc/83/32/44/1312833244.db2.gz RNKDYWAVTSKFIM-UHFFFAOYSA-N 1 0 341.407 2.867 20 10 EFCDRO CCC(CC)(CCO)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877067543 1291124295 /nfs/dbraw/zinc/12/42/95/1291124295.db2.gz FNYUKVXFBDRJTR-UHFFFAOYSA-N 1 0 334.504 2.926 20 10 EFCDRO COC1(c2ccccc2)CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233017672 1312833558 /nfs/dbraw/zinc/83/35/58/1312833558.db2.gz ZAKCIUSPKFGHQH-UHFFFAOYSA-N 1 0 329.396 2.941 20 10 EFCDRO COc1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(C)cc2O)C1=O ZINC000877085328 1291130261 /nfs/dbraw/zinc/13/02/61/1291130261.db2.gz SITPGYSFRWEJSR-OAHLLOKOSA-N 1 0 326.396 2.604 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]4OCC[C@H]43)cc2)CC1 ZINC000877087511 1291131232 /nfs/dbraw/zinc/13/12/32/1291131232.db2.gz ZIKTXGWIFBQFTM-ZCNNSNEGSA-N 1 0 330.472 2.695 20 10 EFCDRO OCC[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCCc2ccccc21 ZINC000093388678 1291131522 /nfs/dbraw/zinc/13/15/22/1291131522.db2.gz XASYSFYTTSDQDF-QGZVFWFLSA-N 1 0 341.407 2.993 20 10 EFCDRO COCC[N@H+](CCC(=O)OC)Cc1ccc(N2CCCCC2)cc1 ZINC000093415910 1291133511 /nfs/dbraw/zinc/13/35/11/1291133511.db2.gz CPQSBPYJLWQJJY-UHFFFAOYSA-N 1 0 334.460 2.688 20 10 EFCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000877132636 1291140192 /nfs/dbraw/zinc/14/01/92/1291140192.db2.gz JKOQWVLVZZKFQA-GFCCVEGCSA-N 1 0 332.350 2.874 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534200 1291165901 /nfs/dbraw/zinc/16/59/01/1291165901.db2.gz SBXQWSFEHFJRFL-OAHLLOKOSA-N 1 0 341.415 2.742 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[NH2+]C[C@@H]3C)c2C)cc1 ZINC000126462888 1291191142 /nfs/dbraw/zinc/19/11/42/1291191142.db2.gz NTFKGEGJCWGGHT-AWEZNQCLSA-N 1 0 327.428 2.537 20 10 EFCDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000795690626 1291204625 /nfs/dbraw/zinc/20/46/25/1291204625.db2.gz VXBGXVFEMJJWCO-OAHLLOKOSA-N 1 0 347.333 2.637 20 10 EFCDRO COC(=O)CCC(C)(C)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000877358670 1291210739 /nfs/dbraw/zinc/21/07/39/1291210739.db2.gz QFQJVSUODTVNGV-UHFFFAOYSA-N 1 0 345.443 2.761 20 10 EFCDRO c1cc(N2CCOCC2)ccc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000126490006 1291218090 /nfs/dbraw/zinc/21/80/90/1291218090.db2.gz QKPPDOHOWXIJNL-UHFFFAOYSA-N 1 0 343.515 2.974 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1F ZINC000093817600 1291218807 /nfs/dbraw/zinc/21/88/07/1291218807.db2.gz YEWYZDDDCHTUDV-GOSISDBHSA-N 1 0 349.494 2.826 20 10 EFCDRO Cc1ccc(C[N@@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c(O)c1 ZINC000877442010 1291235127 /nfs/dbraw/zinc/23/51/27/1291235127.db2.gz RVNFKUBJTQGJMA-NRFANRHFSA-N 1 0 340.467 2.769 20 10 EFCDRO Cc1cccc(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000877487169 1291247858 /nfs/dbraw/zinc/24/78/58/1291247858.db2.gz QLQKVSUQHXOQSK-UHFFFAOYSA-N 1 0 325.456 2.683 20 10 EFCDRO C[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)CC[N@@H+](C2CC2)C1 ZINC000877555488 1291273853 /nfs/dbraw/zinc/27/38/53/1291273853.db2.gz ZRCNULWSBUKYCH-QGZVFWFLSA-N 1 0 343.515 2.564 20 10 EFCDRO Cc1ccc(C[N@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)c(O)c1 ZINC000877563945 1291277106 /nfs/dbraw/zinc/27/71/06/1291277106.db2.gz ROELKIKQDPTAFW-GOSISDBHSA-N 1 0 341.455 2.830 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@H]1c1ccc(O)cc1 ZINC000877655093 1291313404 /nfs/dbraw/zinc/31/34/04/1291313404.db2.gz OCEBIKFHZNYTNF-ZWKOTPCHSA-N 1 0 341.407 2.795 20 10 EFCDRO COc1ccc2c(c1)c1c(n2C)CCN(c2ncc(C)cc2C[NH3+])C1 ZINC001166817223 1312847340 /nfs/dbraw/zinc/84/73/40/1312847340.db2.gz ARPZJOVLAIIOAG-UHFFFAOYSA-N 1 0 336.439 2.912 20 10 EFCDRO Cc1cc(Br)cc(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)c1O ZINC000877693867 1291333034 /nfs/dbraw/zinc/33/30/34/1291333034.db2.gz SVPMRYHUYSETSG-HQJQHLMTSA-N 1 0 342.155 2.864 20 10 EFCDRO CCOC1CC(C[NH+]2CCN(c3ccc(OC)cc3OC)CC2)C1 ZINC000877708286 1291338330 /nfs/dbraw/zinc/33/83/30/1291338330.db2.gz HNLXGOABDVZEBE-UHFFFAOYSA-N 1 0 334.460 2.641 20 10 EFCDRO CCCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001188266141 1291358296 /nfs/dbraw/zinc/35/82/96/1291358296.db2.gz VDPMZYDKAOIMFN-OAHLLOKOSA-N 1 0 331.420 2.843 20 10 EFCDRO CONC(=O)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000877786892 1291380883 /nfs/dbraw/zinc/38/08/83/1291380883.db2.gz BPHLHHHPSPUHKX-UHFFFAOYSA-N 1 0 331.460 2.567 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CCc2ccc(NC(C)=O)cc2C1 ZINC000877817555 1291390001 /nfs/dbraw/zinc/39/00/01/1291390001.db2.gz ZAJITMMTJNWJST-UHFFFAOYSA-N 1 0 326.396 2.918 20 10 EFCDRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]Cc2ccc(C)cc2O)c1 ZINC000877832889 1291400304 /nfs/dbraw/zinc/40/03/04/1291400304.db2.gz SOMAHUZSLMJGGC-ORAYPTAESA-N 1 0 331.412 2.930 20 10 EFCDRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]Cc2cccc(C)c2O)c1 ZINC000877832915 1291400419 /nfs/dbraw/zinc/40/04/19/1291400419.db2.gz TVEAYKQOFIQQJU-ORAYPTAESA-N 1 0 331.412 2.930 20 10 EFCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c1O ZINC001233105971 1312855758 /nfs/dbraw/zinc/85/57/58/1312855758.db2.gz FSCBKJAZWWQZTH-STQMWFEESA-N 1 0 332.213 2.758 20 10 EFCDRO Cc1cc(Br)cc(CN2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c1O ZINC001233111179 1312856532 /nfs/dbraw/zinc/85/65/32/1312856532.db2.gz KAECIKZNLYEINJ-SWLSCSKDSA-N 1 0 339.277 2.989 20 10 EFCDRO CCCN(C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H]1CC[N@H+](C)C1 ZINC000826020415 1291483064 /nfs/dbraw/zinc/48/30/64/1291483064.db2.gz UKPHVGUABRXJLI-OAHLLOKOSA-N 1 0 336.455 2.517 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)cc1Br ZINC001233134862 1312862872 /nfs/dbraw/zinc/86/28/72/1312862872.db2.gz GJOCPHQJZSJIMQ-BONVTDFDSA-N 1 0 344.249 2.756 20 10 EFCDRO COC[C@H]1CCC[N@@H+]1Cc1cc(Br)c(OC)cc1O ZINC001233134707 1312863157 /nfs/dbraw/zinc/86/31/57/1312863157.db2.gz CDZYFNYGXNYCTJ-LLVKDONJSA-N 1 0 330.222 2.774 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCOC[C@@H](C)C2)cc1Br ZINC001233135234 1312863283 /nfs/dbraw/zinc/86/32/83/1312863283.db2.gz PEEOHWKBMHYSPN-JTQLQIEISA-N 1 0 330.222 2.632 20 10 EFCDRO COc1cc(O)c(C[N@H+]2CCC[C@@H](OC)C2)cc1Br ZINC001233134668 1312863831 /nfs/dbraw/zinc/86/38/31/1312863831.db2.gz AXUOUCAFUKBWIT-LLVKDONJSA-N 1 0 330.222 2.774 20 10 EFCDRO CC[N@@H+]1CCN(Cc2cc(Br)c(OC)cc2O)[C@H](C)C1 ZINC001233142459 1312865237 /nfs/dbraw/zinc/86/52/37/1312865237.db2.gz PDCDYUVBBPMVOJ-LLVKDONJSA-N 1 0 343.265 2.689 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@H](OC)C2)c2ccccc2n1C ZINC001233270712 1312889770 /nfs/dbraw/zinc/88/97/70/1312889770.db2.gz XQAQNIDINDXYET-AWEZNQCLSA-N 1 0 330.428 2.966 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)c2ccccc2n1C ZINC001233270642 1312890064 /nfs/dbraw/zinc/89/00/64/1312890064.db2.gz VBDZILANTRWSEF-RDTXWAMCSA-N 1 0 344.455 2.948 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)c2ccccc2n1C ZINC001233270351 1312890270 /nfs/dbraw/zinc/89/02/70/1312890270.db2.gz KONSERQHPCDQFF-VLIAUNLRSA-N 1 0 344.455 2.948 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCOC[C@@H](C)C2)c2ccccc2n1C ZINC001233270458 1312890367 /nfs/dbraw/zinc/89/03/67/1312890367.db2.gz OSKABIMKROEVEB-AWEZNQCLSA-N 1 0 330.428 2.823 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@H](CO)CC2)c2ccccc2n1C ZINC001233270716 1312890409 /nfs/dbraw/zinc/89/04/09/1312890409.db2.gz XQHMSSNLRAYLQG-HNNXBMFYSA-N 1 0 344.455 2.949 20 10 EFCDRO CCOC(=O)c1c(C[NH+]2CCC(CO)CC2)c2ccccc2n1C ZINC001233271031 1312890451 /nfs/dbraw/zinc/89/04/51/1312890451.db2.gz KBTOBTQKVGNCAQ-UHFFFAOYSA-N 1 0 330.428 2.559 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2C[C@H](CO)CC[C@@H]2C)c2ccccc2n1C ZINC001233270406 1312890491 /nfs/dbraw/zinc/89/04/91/1312890491.db2.gz MOUZPESULBVATD-LSDHHAIUSA-N 1 0 344.455 2.948 20 10 EFCDRO CCOC(=O)c1c(CN2CCCC23COC3)c2ccccc2n1C ZINC001233272713 1312890915 /nfs/dbraw/zinc/89/09/15/1312890915.db2.gz XKCNTKSEVADBBQ-UHFFFAOYSA-N 1 0 328.412 2.720 20 10 EFCDRO CCOC(=O)CC[N@H+](C)Cc1c2ccccc2n(C)c1C(=O)OCC ZINC001233272560 1312891020 /nfs/dbraw/zinc/89/10/20/1312891020.db2.gz PPZZNBMUKZAVHM-UHFFFAOYSA-N 1 0 346.427 2.740 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@@](C)(O)C2)c2ccccc2n1C ZINC001233272434 1312891176 /nfs/dbraw/zinc/89/11/76/1312891176.db2.gz LERUSHCAAVFYAS-LJQANCHMSA-N 1 0 330.428 2.702 20 10 EFCDRO CCOC(=O)c1c(CN2CC[N@H+](C)C(C)(C)C2)c2ccccc2n1C ZINC001233273061 1312891255 /nfs/dbraw/zinc/89/12/55/1312891255.db2.gz MKDYNVAEIAGPQB-UHFFFAOYSA-N 1 0 343.471 2.881 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c2ccccc2n1C ZINC001233272862 1312891266 /nfs/dbraw/zinc/89/12/66/1312891266.db2.gz FGNBJVRBJPVWHD-KDOFPFPSSA-N 1 0 342.439 2.966 20 10 EFCDRO CCOC(=O)c1c(C[N@H+](C)[C@@H]2CCCOC2)c2ccccc2n1C ZINC001233273720 1312891410 /nfs/dbraw/zinc/89/14/10/1312891410.db2.gz PBDJSMITAJFVTJ-CQSZACIVSA-N 1 0 330.428 2.966 20 10 EFCDRO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(C(C)(C)C)ccc2O)O1 ZINC001233285257 1312894974 /nfs/dbraw/zinc/89/49/74/1312894974.db2.gz ZDSHYQGRHMIOIV-NXHRZFHOSA-N 1 0 346.471 2.510 20 10 EFCDRO CCOC(=O)[C@H]1CN(Cc2cc(C(C)(C)C)ccc2O)CCC1=O ZINC001233284386 1312895166 /nfs/dbraw/zinc/89/51/66/1312895166.db2.gz SKVYRKFZHLALDB-HNNXBMFYSA-N 1 0 333.428 2.644 20 10 EFCDRO CCO[C@@H]1C[C@H]2CN(Cc3cc(C(C)(C)C)ccc3O)CC[N@@H+]2C1 ZINC001233285503 1312895433 /nfs/dbraw/zinc/89/54/33/1312895433.db2.gz IJFKLYZAQMTJQY-ZWKOTPCHSA-N 1 0 332.488 2.985 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](Oc3nccc(C)n3)C2)c1O ZINC001233291024 1312896122 /nfs/dbraw/zinc/89/61/22/1312896122.db2.gz HVCKCLYPEXYTPD-CQSZACIVSA-N 1 0 349.818 2.806 20 10 EFCDRO COc1cc(Cl)cc(CN2CC([NH+]3CCC(F)CC3)C2)c1O ZINC001233290127 1312896862 /nfs/dbraw/zinc/89/68/62/1312896862.db2.gz KYSJGZDCNRSIQQ-UHFFFAOYSA-N 1 0 328.815 2.672 20 10 EFCDRO C[C@H](NCc1cn(Cc2cccnc2)nn1)c1ccc(N(C)C)cc1 ZINC000775364384 1292020992 /nfs/dbraw/zinc/02/09/92/1292020992.db2.gz PUUVJAGLNOTQPM-HNNXBMFYSA-N 1 0 336.443 2.638 20 10 EFCDRO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)s1)c1ccc(N(C)C)cc1 ZINC000775363166 1292036097 /nfs/dbraw/zinc/03/60/97/1292036097.db2.gz KWJVLKGGHHHGGD-AWEZNQCLSA-N 1 0 346.500 2.897 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCCCc2ccccc2)c1 ZINC000775370802 1292082021 /nfs/dbraw/zinc/08/20/21/1292082021.db2.gz RWTPRBJUEGGJOI-OAHLLOKOSA-N 1 0 342.439 2.800 20 10 EFCDRO COc1ccc(N2CC[NH+](CCc3cccc(C)n3)CC2)c(OC)c1 ZINC000879463045 1292145874 /nfs/dbraw/zinc/14/58/74/1292145874.db2.gz ONLRKFBPRIPANB-UHFFFAOYSA-N 1 0 341.455 2.772 20 10 EFCDRO COc1ccc(N2CC[NH+](CC3CCC(=O)CC3)CC2)c(OC)c1 ZINC000879463492 1292145999 /nfs/dbraw/zinc/14/59/99/1292145999.db2.gz YJUHZAMMMSQJSM-UHFFFAOYSA-N 1 0 332.444 2.585 20 10 EFCDRO COc1ccc(N2CC[NH+](CCc3ccncc3C)CC2)c(OC)c1 ZINC000879463460 1292146038 /nfs/dbraw/zinc/14/60/38/1292146038.db2.gz XIAYRBZUBRFTGU-UHFFFAOYSA-N 1 0 341.455 2.772 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)NCCO[C@H]1CCCC[C@@H]1C)c1ccccc1O ZINC000879648221 1292217574 /nfs/dbraw/zinc/21/75/74/1292217574.db2.gz FKRQIHGIXHAVRN-DAYGRLMNSA-N 1 0 334.460 2.754 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1C)c1ccccc1O ZINC000879648169 1292217633 /nfs/dbraw/zinc/21/76/33/1292217633.db2.gz BAOPTEMCHBVTME-GFCCVEGCSA-N 1 0 330.432 2.713 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1ccccc1O ZINC000879648246 1292218053 /nfs/dbraw/zinc/21/80/53/1292218053.db2.gz GKUSITWIEJIRQX-CYBMUJFWSA-N 1 0 328.416 2.993 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CCCCC1)c1ccccc1O ZINC000879648421 1292218198 /nfs/dbraw/zinc/21/81/98/1292218198.db2.gz OFCFLQXDRAPDDW-OLZOCXBDSA-N 1 0 333.432 2.590 20 10 EFCDRO CCOCc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648612 1292218668 /nfs/dbraw/zinc/21/86/68/1292218668.db2.gz WHJIMECZSMPSBZ-OAHLLOKOSA-N 1 0 342.439 2.896 20 10 EFCDRO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879648331 1292218987 /nfs/dbraw/zinc/21/89/87/1292218987.db2.gz KEHGQUCUSJPEEA-CYBMUJFWSA-N 1 0 342.395 2.777 20 10 EFCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000826123861 1292267838 /nfs/dbraw/zinc/26/78/38/1292267838.db2.gz WETCTHHNZFVGSW-OAHLLOKOSA-N 1 0 342.233 2.930 20 10 EFCDRO CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1O ZINC000775415797 1292337990 /nfs/dbraw/zinc/33/79/90/1292337990.db2.gz QIKMCTFKUCLPJC-QGZVFWFLSA-N 1 0 348.468 2.883 20 10 EFCDRO C[C@@H]([NH2+]CCc1cnccn1)c1ccc(N2CCOCC2)cc1Cl ZINC000775419020 1292353500 /nfs/dbraw/zinc/35/35/00/1292353500.db2.gz TWRVIGPCTNPBRN-CQSZACIVSA-N 1 0 346.862 2.860 20 10 EFCDRO CN(C)C(=O)[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233453957 1312935036 /nfs/dbraw/zinc/93/50/36/1312935036.db2.gz AIUANWHJAOKJMI-LBPRGKRZSA-N 1 0 330.350 2.711 20 10 EFCDRO Oc1cc(C(F)(F)F)ccc1C[NH+]1CCN(c2cnccn2)CC1 ZINC001233452126 1312935090 /nfs/dbraw/zinc/93/50/90/1312935090.db2.gz LMQCIIZUYMYQDD-UHFFFAOYSA-N 1 0 338.333 2.523 20 10 EFCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3O)CC[C@H]21 ZINC001233455288 1312935916 /nfs/dbraw/zinc/93/59/16/1312935916.db2.gz DSDFDACICOIJON-SMDDNHRTSA-N 1 0 342.361 2.854 20 10 EFCDRO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455365 1312935966 /nfs/dbraw/zinc/93/59/66/1312935966.db2.gz HVEGAKQYYOXCOB-CQSZACIVSA-N 1 0 330.350 2.854 20 10 EFCDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455300 1312936181 /nfs/dbraw/zinc/93/61/81/1312936181.db2.gz FGIJJIZEQSQUBI-CYBMUJFWSA-N 1 0 330.350 2.902 20 10 EFCDRO Oc1cc(O)c(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1O ZINC001233487192 1312940137 /nfs/dbraw/zinc/94/01/37/1312940137.db2.gz UEDABFAPYJOJRH-NVXWUHKLSA-N 1 0 340.423 2.510 20 10 EFCDRO C[N@H+](CCCCNC(=O)OC(C)(C)C)Cc1cc(O)c(O)cc1O ZINC001233486661 1312940251 /nfs/dbraw/zinc/94/02/51/1312940251.db2.gz WYBUWXIQQCVFBM-UHFFFAOYSA-N 1 0 340.420 2.540 20 10 EFCDRO COC[C@H](C)[N@H+](Cc1cccc(OC)c1)Cc1cc(O)c(O)cc1O ZINC001233486404 1312940448 /nfs/dbraw/zinc/94/04/48/1312940448.db2.gz LXKAXHZIIWDMHX-ZDUSSCGKSA-N 1 0 347.411 2.849 20 10 EFCDRO CC(C)(C)OC(=O)CC1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233486333 1312940647 /nfs/dbraw/zinc/94/06/47/1312940647.db2.gz JCIMZMUTLKMAIW-UHFFFAOYSA-N 1 0 337.416 2.747 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)cc1O ZINC001233486184 1312940664 /nfs/dbraw/zinc/94/06/64/1312940664.db2.gz BTKRZEIARNDULB-TXEJJXNPSA-N 1 0 349.390 2.833 20 10 EFCDRO Cc1cccc(O[C@H]2CCC[N@H+](Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233487623 1312941405 /nfs/dbraw/zinc/94/14/05/1312941405.db2.gz LQZNVOLLFNMATK-AWEZNQCLSA-N 1 0 330.384 2.550 20 10 EFCDRO Cc1cccc(O[C@@H]2CCC[N@H+](Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233487624 1312941770 /nfs/dbraw/zinc/94/17/70/1312941770.db2.gz LQZNVOLLFNMATK-CQSZACIVSA-N 1 0 330.384 2.550 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCCn2cnc(COCC3CC3)c2C1 ZINC001203552951 1312955233 /nfs/dbraw/zinc/95/52/33/1312955233.db2.gz WSZIRKUESCOBPL-UHFFFAOYSA-N 1 0 327.428 2.921 20 10 EFCDRO Cc1cc(C(=O)Cn2cc([C@H](C)[NH3+])nn2)c(C)n1-c1ccccc1C ZINC000881228030 1292792469 /nfs/dbraw/zinc/79/24/69/1292792469.db2.gz MSSRGXVFNWGAOK-AWEZNQCLSA-N 1 0 337.427 2.897 20 10 EFCDRO Cn1ccc(CN2CCCC23CC[NH+](Cc2ccccc2O)CC3)n1 ZINC001203552216 1312953904 /nfs/dbraw/zinc/95/39/04/1312953904.db2.gz FGYQDNDIIYEQGT-UHFFFAOYSA-N 1 0 340.471 2.756 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001203552242 1312954204 /nfs/dbraw/zinc/95/42/04/1312954204.db2.gz GADMBYIATGWHEB-HOCLYGCPSA-N 1 0 329.469 2.945 20 10 EFCDRO O=C1[C@@H]2C[N@H+](Cc3ccccc3O)C[C@H]2CN1Cc1cccc(F)c1 ZINC001203551817 1312954282 /nfs/dbraw/zinc/95/42/82/1312954282.db2.gz PBPWWKJDVRYMIS-FUHWJXTLSA-N 1 0 340.398 2.622 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001203552595 1312954296 /nfs/dbraw/zinc/95/42/96/1312954296.db2.gz OOUWLCOPJGGPTI-SZVBFZGTSA-N 1 0 340.423 2.846 20 10 EFCDRO CC[C@@H]1[N@H+](Cc2ccccc2O)CCC[C@]12CCC(=O)N2CCOC ZINC001203551915 1312954557 /nfs/dbraw/zinc/95/45/57/1312954557.db2.gz SKMUIPLSAQPNAP-ICSRJNTNSA-N 1 0 346.471 2.774 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001203552484 1312954595 /nfs/dbraw/zinc/95/45/95/1312954595.db2.gz MQQPHNRGZNCXBA-UHFFFAOYSA-N 1 0 332.407 2.845 20 10 EFCDRO CC(C)C(=O)N[C@H]1COCCC12CC[NH+](Cc1ccccc1O)CC2 ZINC001203552351 1312954606 /nfs/dbraw/zinc/95/46/06/1312954606.db2.gz KVUWTKZJGFUBPB-SFHVURJKSA-N 1 0 346.471 2.536 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001203552330 1312954649 /nfs/dbraw/zinc/95/46/49/1312954649.db2.gz JZYCVGFWMGUBRV-DFQSSKMNSA-N 1 0 340.423 2.736 20 10 EFCDRO Cc1nc(CN2CCC3(C[NH+](Cc4ccccc4O)C3)C2)cs1 ZINC001203553003 1312954924 /nfs/dbraw/zinc/95/49/24/1312954924.db2.gz XVZOFGTYDJOKJF-UHFFFAOYSA-N 1 0 329.469 2.865 20 10 EFCDRO CO[C@H](CN1CC[NH+](Cc2ccccc2O)CC1)c1ccccc1 ZINC001203558641 1312956050 /nfs/dbraw/zinc/95/60/50/1312956050.db2.gz RSOJHLZTBZQXCJ-HXUWFJFHSA-N 1 0 326.440 2.898 20 10 EFCDRO C[S@@](=O)CC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796312158 1292861285 /nfs/dbraw/zinc/86/12/85/1292861285.db2.gz TZMLVQYAFNQESK-HSZRJFAPSA-N 1 0 328.481 2.717 20 10 EFCDRO C[S@](=O)CC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796312160 1292861456 /nfs/dbraw/zinc/86/14/56/1292861456.db2.gz TZMLVQYAFNQESK-QHCPKHFHSA-N 1 0 328.481 2.717 20 10 EFCDRO Cc1cc(Cn2cc(CCCC[NH3+])nn2)ccc1N1CCCCC1 ZINC000881379660 1292865489 /nfs/dbraw/zinc/86/54/89/1292865489.db2.gz WDUFQWSKZRJVBP-UHFFFAOYSA-N 1 0 327.476 2.907 20 10 EFCDRO CC[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cc(Cl)ccc1O ZINC000775523197 1292872868 /nfs/dbraw/zinc/87/28/68/1292872868.db2.gz DYKMTVOGAMJPPU-TZMCWYRMSA-N 1 0 346.880 2.510 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2cccc(OC)c2O)Cc2c1cnn2CC ZINC001203591558 1312965131 /nfs/dbraw/zinc/96/51/31/1312965131.db2.gz IXSBUVRIRQEHGW-HNNXBMFYSA-N 1 0 345.443 2.753 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c1O ZINC001203593367 1312965184 /nfs/dbraw/zinc/96/51/84/1312965184.db2.gz LSGNGDVQSSMQBR-APWZRJJASA-N 1 0 333.428 2.561 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)c1O ZINC001203591548 1312965237 /nfs/dbraw/zinc/96/52/37/1312965237.db2.gz IOBGFCDDHUXRMU-KZNAEPCWSA-N 1 0 347.455 2.949 20 10 EFCDRO COc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001203589980 1312965504 /nfs/dbraw/zinc/96/55/04/1312965504.db2.gz PNVUYPCEYCOPFL-DZGCQCFKSA-N 1 0 348.443 2.842 20 10 EFCDRO COc1cccc(C[NH+]2CC(CCNC(=O)OC(C)(C)C)C2)c1O ZINC001203596897 1312966736 /nfs/dbraw/zinc/96/67/36/1312966736.db2.gz SPNMTQRZZXHROH-UHFFFAOYSA-N 1 0 336.432 2.747 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC3(CCC(=O)N3CC)CC2)c1O ZINC001203602923 1312967867 /nfs/dbraw/zinc/96/78/67/1312967867.db2.gz BWGQTWRWXFRSHB-UHFFFAOYSA-N 1 0 332.444 2.768 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@H](Oc3nccnc3C)C2)c1O ZINC001203601884 1312968305 /nfs/dbraw/zinc/96/83/05/1312968305.db2.gz PNEVTMRBOYJLHW-HNNXBMFYSA-N 1 0 329.400 2.543 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC3(CCN(C(C)=O)C3)CC2)c1O ZINC001203603243 1312968406 /nfs/dbraw/zinc/96/84/06/1312968406.db2.gz LHUOSLDIWPCQGD-UHFFFAOYSA-N 1 0 332.444 2.625 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCc3ncnc(CC)c3CC2)c1O ZINC001203608397 1312970129 /nfs/dbraw/zinc/97/01/29/1312970129.db2.gz OCLXCUVHRCVQQO-UHFFFAOYSA-N 1 0 327.428 2.744 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2cccc(OCC)c2O)Cc2cnn(C)c21 ZINC001203608696 1312970425 /nfs/dbraw/zinc/97/04/25/1312970425.db2.gz ZQVHKCXCJFLLME-INIZCTEOSA-N 1 0 345.443 2.660 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)c1O ZINC001203609977 1312970474 /nfs/dbraw/zinc/97/04/74/1312970474.db2.gz QFYWMPMXVJCCAA-PXNSSMCTSA-N 1 0 347.455 2.951 20 10 EFCDRO CCS[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000881851013 1293028815 /nfs/dbraw/zinc/02/88/15/1293028815.db2.gz AXFQEWUIZNSIAT-GOSISDBHSA-N 1 0 349.544 2.832 20 10 EFCDRO C[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000881852472 1293028980 /nfs/dbraw/zinc/02/89/80/1293028980.db2.gz RHRZAUFWDGMPPI-QGZVFWFLSA-N 1 0 337.467 2.858 20 10 EFCDRO Cc1ccc([C@@H](C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000881851148 1293029259 /nfs/dbraw/zinc/02/92/59/1293029259.db2.gz OUINCECNJXOSRC-MRXNPFEDSA-N 1 0 341.455 2.760 20 10 EFCDRO Cc1cscc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851237 1293029516 /nfs/dbraw/zinc/02/95/16/1293029516.db2.gz QJGYHWVQZMUDHJ-UHFFFAOYSA-N 1 0 329.469 2.738 20 10 EFCDRO CS[C@H](C)CCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852439 1293029661 /nfs/dbraw/zinc/02/96/61/1293029661.db2.gz PXDUSWLGEYCRLM-OAHLLOKOSA-N 1 0 335.517 2.586 20 10 EFCDRO CC[C@H]1CCC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853254 1293030139 /nfs/dbraw/zinc/03/01/39/1293030139.db2.gz ORQHFLMGOYWMHZ-HKUYNNGSSA-N 1 0 329.488 2.881 20 10 EFCDRO C[C@H](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccco1 ZINC000881854770 1293031068 /nfs/dbraw/zinc/03/10/68/1293031068.db2.gz KDECDSNTWVPYJS-MRXNPFEDSA-N 1 0 341.455 2.841 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCCN(c3cccnc3)CC2)c1O ZINC001203614988 1312971431 /nfs/dbraw/zinc/97/14/31/1312971431.db2.gz JQYLWMPLMHLKFQ-UHFFFAOYSA-N 1 0 327.428 2.898 20 10 EFCDRO Cc1sccc1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853941 1293031651 /nfs/dbraw/zinc/03/16/51/1293031651.db2.gz OVYFUOUKTPFHCD-UHFFFAOYSA-N 1 0 343.496 2.667 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@H](Oc3cccc(OC)n3)C2)c1O ZINC001203617198 1312972285 /nfs/dbraw/zinc/97/22/85/1312972285.db2.gz LPMDAWFFQRFGNX-HNNXBMFYSA-N 1 0 344.411 2.848 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC3(CC(=O)N(CC)C3)CC2)c1O ZINC001203617404 1312972319 /nfs/dbraw/zinc/97/23/19/1312972319.db2.gz QHKLDJABMTVNDI-UHFFFAOYSA-N 1 0 332.444 2.625 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@H](Oc3ccc(OC)cn3)C2)c1O ZINC001203617392 1312972606 /nfs/dbraw/zinc/97/26/06/1312972606.db2.gz PPMJYQJVTYHRMA-INIZCTEOSA-N 1 0 344.411 2.848 20 10 EFCDRO COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c(O)c1 ZINC001203621879 1312973372 /nfs/dbraw/zinc/97/33/72/1312973372.db2.gz JGLLKJZTFMYQCB-HOCLYGCPSA-N 1 0 348.443 2.842 20 10 EFCDRO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c(O)c1 ZINC001203620801 1312973591 /nfs/dbraw/zinc/97/35/91/1312973591.db2.gz ITAYJJFMWGYEFG-MRXNPFEDSA-N 1 0 348.443 2.890 20 10 EFCDRO CC[C@@H]1[N@H+](Cc2ccc(OC)cc2O)CCC[C@]12CCC(=O)N2C ZINC001203622928 1312973953 /nfs/dbraw/zinc/97/39/53/1312973953.db2.gz FUFMVJUZABNDQG-HKUYNNGSSA-N 1 0 332.444 2.766 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@]3(CCN(CC4CC4)C3=O)C2)c(O)c1 ZINC001203623430 1312974074 /nfs/dbraw/zinc/97/40/74/1312974074.db2.gz QJZKZZIJNWLANA-FQEVSTJZSA-N 1 0 344.455 2.625 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)c(O)c1 ZINC001203628645 1312975516 /nfs/dbraw/zinc/97/55/16/1312975516.db2.gz DKIAVGVOIKJZSI-HXUWFJFHSA-N 1 0 338.407 2.521 20 10 EFCDRO COc1ccc(C[NH+]2CCC(C)(C(=O)N3CCCC3)CC2)c(O)c1 ZINC001203627814 1312975767 /nfs/dbraw/zinc/97/57/67/1312975767.db2.gz QHBBLFKCVSWFFE-UHFFFAOYSA-N 1 0 332.444 2.625 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@H](Oc3nccc(C)n3)C2)c(O)c1 ZINC001203635324 1312977632 /nfs/dbraw/zinc/97/76/32/1312977632.db2.gz PRGJBWZGDPDDDP-INIZCTEOSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@H](Oc3ncc(C)cn3)C2)c(O)c1 ZINC001203635442 1312977683 /nfs/dbraw/zinc/97/76/83/1312977683.db2.gz VCHPUJIIFUHNAA-INIZCTEOSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1ccc(C[NH+]2CCC(NC(=O)N3CCCCC3)CC2)c(O)c1 ZINC001203634591 1312977704 /nfs/dbraw/zinc/97/77/04/1312977704.db2.gz MVMFSYDQZLSPOG-UHFFFAOYSA-N 1 0 347.459 2.561 20 10 EFCDRO OC[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CCC1(F)F ZINC001233727643 1312978463 /nfs/dbraw/zinc/97/84/63/1312978463.db2.gz NUFQYZFKFDUVSG-JTQLQIEISA-N 1 0 341.276 2.740 20 10 EFCDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2cc(Br)ccc2O)C1 ZINC001203645401 1312979496 /nfs/dbraw/zinc/97/94/96/1312979496.db2.gz GUBAAXGKAPUVIZ-JQWIXIFHSA-N 1 0 342.233 2.786 20 10 EFCDRO O=c1ccc2c([nH]1)CC[N@@H+](Cc1cc(Br)ccc1O)CC2 ZINC001203645856 1312979759 /nfs/dbraw/zinc/97/97/59/1312979759.db2.gz UPSLWRLXTNTTPK-UHFFFAOYSA-N 1 0 349.228 2.856 20 10 EFCDRO Oc1ccc(Br)cc1CN1CCC([NH+]2CCC2)CC1 ZINC001203648101 1312979921 /nfs/dbraw/zinc/97/99/21/1312979921.db2.gz DDEUYZWBFHPDKG-UHFFFAOYSA-N 1 0 325.250 2.825 20 10 EFCDRO C[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CCC2(C1)OCCO2 ZINC001203650270 1312980339 /nfs/dbraw/zinc/98/03/39/1312980339.db2.gz PEJDIGXHEMEUET-CYBMUJFWSA-N 1 0 342.233 2.882 20 10 EFCDRO C[N@H+](Cc1cc(Br)ccc1O)[C@H]1CCC2(C1)OCCO2 ZINC001203650276 1312980681 /nfs/dbraw/zinc/98/06/81/1312980681.db2.gz PEJDIGXHEMEUET-ZDUSSCGKSA-N 1 0 342.233 2.882 20 10 EFCDRO C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3O)C[C@@H]2C1 ZINC001233736738 1312982100 /nfs/dbraw/zinc/98/21/00/1312982100.db2.gz QHYDXPNKNVZBLS-YPMHNXCESA-N 1 0 330.350 2.674 20 10 EFCDRO O=C1[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@H]2CN1c1cccnc1 ZINC001203657531 1312982485 /nfs/dbraw/zinc/98/24/85/1312982485.db2.gz LYSROUULIARRNI-BBRMVZONSA-N 1 0 343.814 2.535 20 10 EFCDRO O=C(c1ccco1)N1C[C@H]2C[NH+](Cc3cc(Cl)ccc3O)C[C@@H]2C1 ZINC001203659406 1312983101 /nfs/dbraw/zinc/98/31/01/1312983101.db2.gz VCJKDKUBFVLVGL-ZIAGYGMSSA-N 1 0 346.814 2.843 20 10 EFCDRO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233754826 1312984286 /nfs/dbraw/zinc/98/42/86/1312984286.db2.gz LZMNIFOVBDYOGJ-GFCCVEGCSA-N 1 0 346.349 2.591 20 10 EFCDRO Oc1c(CN2CC[N@@H+]3CCCC[C@@H]3C2)cccc1OC(F)(F)F ZINC001233754306 1312984800 /nfs/dbraw/zinc/98/48/00/1312984800.db2.gz CXXSEXCBDPRWAP-CYBMUJFWSA-N 1 0 330.350 2.961 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]CCCCCS(C)(=O)=O)c2c1c(F)ccc2O ZINC000775585769 1293224257 /nfs/dbraw/zinc/22/42/57/1293224257.db2.gz IUFCWDJZBWFJSY-YPMHNXCESA-N 1 0 329.437 2.884 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2cc(OC)ccc2O)Cc2cn(CC)nc21 ZINC001203673283 1312986553 /nfs/dbraw/zinc/98/65/53/1312986553.db2.gz UDTQPTYUZGOHOS-MRXNPFEDSA-N 1 0 345.443 2.753 20 10 EFCDRO CC(=O)N(C)C1CC[NH+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233768302 1312987513 /nfs/dbraw/zinc/98/75/13/1312987513.db2.gz ORVRZRRXPCAHMV-UHFFFAOYSA-N 1 0 346.349 2.734 20 10 EFCDRO Oc1c(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)cccc1OC(F)(F)F ZINC001233768536 1312987548 /nfs/dbraw/zinc/98/75/48/1312987548.db2.gz TWFWJIBNXOBJEP-FNFFVJSTSA-N 1 0 329.318 2.900 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](Oc3cc(C)ncn3)C2)c1 ZINC001203680606 1312988799 /nfs/dbraw/zinc/98/87/99/1312988799.db2.gz ABSUJRQBMIRMMI-INIZCTEOSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(NC(=O)N3CCCCC3)CC2)c1 ZINC001203680868 1312988811 /nfs/dbraw/zinc/98/88/11/1312988811.db2.gz HVCZKSIPBNUQIE-UHFFFAOYSA-N 1 0 347.459 2.561 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](Oc3nccnc3C)C2)c1 ZINC001203681372 1312989223 /nfs/dbraw/zinc/98/92/23/1312989223.db2.gz VIBCOIYITSXBGZ-MRXNPFEDSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1ccc(O[C@@H]2CCC[N@H+](Cc3cc(OC)ccc3O)C2)nc1 ZINC001203683853 1312989498 /nfs/dbraw/zinc/98/94/98/1312989498.db2.gz GBLZBOBGSMXVMM-QGZVFWFLSA-N 1 0 344.411 2.848 20 10 EFCDRO Oc1c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)cccc1OC(F)(F)F ZINC001233776633 1312990468 /nfs/dbraw/zinc/99/04/68/1312990468.db2.gz WHXUVKCYJYBMHN-LBPRGKRZSA-N 1 0 342.321 2.719 20 10 EFCDRO CCc1cc(C)nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000882880213 1293366959 /nfs/dbraw/zinc/36/69/59/1293366959.db2.gz HUNLFAZLCASUGD-UHFFFAOYSA-N 1 0 325.460 2.711 20 10 EFCDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000130570467 1293402353 /nfs/dbraw/zinc/40/23/53/1293402353.db2.gz RMONKLLORIHQPI-CRAIPNDOSA-N 1 0 330.428 2.718 20 10 EFCDRO [O-]c1c(F)cc(F)cc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000883049068 1293442683 /nfs/dbraw/zinc/44/26/83/1293442683.db2.gz CIINWIHBVDUHCI-SJORKVTESA-N 1 0 340.414 2.528 20 10 EFCDRO C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cc(F)cc(F)c3O)nc2)C1 ZINC000883073521 1293450399 /nfs/dbraw/zinc/45/03/99/1293450399.db2.gz SHZQIGYSFLPHIN-OAHLLOKOSA-N 1 0 348.397 2.818 20 10 EFCDRO C[N@@H+]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1(C)C ZINC000883140343 1293477923 /nfs/dbraw/zinc/47/79/23/1293477923.db2.gz QQMYEEATWPVPRN-UHFFFAOYSA-N 1 0 330.476 2.522 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCC34OCCO4)CC2)cc1 ZINC000883178925 1293495110 /nfs/dbraw/zinc/49/51/10/1293495110.db2.gz IGTRHKLBTGPLGW-SFHVURJKSA-N 1 0 332.444 2.549 20 10 EFCDRO CC[C@H](C)[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883195811 1293501857 /nfs/dbraw/zinc/50/18/57/1293501857.db2.gz CPZLQGNHGUPLAI-JKSUJKDBSA-N 1 0 332.492 2.672 20 10 EFCDRO CC[C@H](F)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194367931 1293598420 /nfs/dbraw/zinc/59/84/20/1293598420.db2.gz NCPZLAWATZVSQI-ZFWWWQNUSA-N 1 0 349.410 2.743 20 10 EFCDRO C[C@H](F)CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194367617 1293599257 /nfs/dbraw/zinc/59/92/57/1293599257.db2.gz JCEQHJJWUXBTNF-WFASDCNBSA-N 1 0 349.410 2.743 20 10 EFCDRO COCC[C@@H](C)C(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001203790627 1313016086 /nfs/dbraw/zinc/01/60/86/1313016086.db2.gz XJUHTTJXHQAJRU-OAHLLOKOSA-N 1 0 348.487 2.757 20 10 EFCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1ccc(-n2cnnn2)cc1 ZINC000132294104 1293647071 /nfs/dbraw/zinc/64/70/71/1293647071.db2.gz KPJPWYJJAYILMU-GFCCVEGCSA-N 1 0 346.485 2.952 20 10 EFCDRO O=c1cc2[nH]cnc(O[C@@H]3CC[N@H+](Cc4ccccc4)C3)c-2cc1O ZINC001233949246 1313024398 /nfs/dbraw/zinc/02/43/98/1313024398.db2.gz AUZVYCIEAVZANV-CQSZACIVSA-N 1 0 337.379 2.694 20 10 EFCDRO CO[C@H](C[NH+]1CCN(Cc2ccc(O)c(O)c2)CC1)c1ccccc1 ZINC001203879985 1313040054 /nfs/dbraw/zinc/04/00/54/1313040054.db2.gz LFGJGYQUFAECQC-HXUWFJFHSA-N 1 0 342.439 2.603 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1OC ZINC000775654978 1293913785 /nfs/dbraw/zinc/91/37/85/1293913785.db2.gz SGVHQZUBGBKBGL-GFCCVEGCSA-N 1 0 349.349 2.953 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001203875895 1313038370 /nfs/dbraw/zinc/03/83/70/1313038370.db2.gz YDTQZDIVVMOXKU-IBGZPJMESA-N 1 0 348.443 2.931 20 10 EFCDRO Oc1ccc(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)cc1O ZINC001203877819 1313039152 /nfs/dbraw/zinc/03/91/52/1313039152.db2.gz KYIPZWPQVXHZFR-MRXNPFEDSA-N 1 0 333.428 2.648 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(O)c(O)c3)CC[C@H]21 ZINC001203877740 1313039432 /nfs/dbraw/zinc/03/94/32/1313039432.db2.gz IIKKXTULHHVUHA-HUUCEWRRSA-N 1 0 348.443 2.929 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(O)c(O)c3)CC[C@@H]21 ZINC001203877738 1313039480 /nfs/dbraw/zinc/03/94/80/1313039480.db2.gz IIKKXTULHHVUHA-CABCVRRESA-N 1 0 348.443 2.929 20 10 EFCDRO CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(O)c(O)c1 ZINC001203878534 1313039684 /nfs/dbraw/zinc/03/96/84/1313039684.db2.gz BGQZPLFKAUFPLF-AWEZNQCLSA-N 1 0 336.432 2.929 20 10 EFCDRO CC1(C)[N@H+](Cc2ccc(O)c(O)c2)CC[C@@]12c1ccccc1OC2=O ZINC001203881174 1313040391 /nfs/dbraw/zinc/04/03/91/1313040391.db2.gz MMINANHDZQIRJD-FQEVSTJZSA-N 1 0 339.391 2.939 20 10 EFCDRO CC1(C)[N@H+](Cc2ccc(O)c(O)c2)CC[C@]12c1ccccc1OC2=O ZINC001203881175 1313040697 /nfs/dbraw/zinc/04/06/97/1313040697.db2.gz MMINANHDZQIRJD-HXUWFJFHSA-N 1 0 339.391 2.939 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)COC(C)C)CC2)cc1 ZINC000800218358 1293962054 /nfs/dbraw/zinc/96/20/54/1293962054.db2.gz QDYAPLQAPUVLDO-SFHVURJKSA-N 1 0 349.519 2.610 20 10 EFCDRO CCOC(=O)c1coc(C2CC[NH+](Cc3ccc(O)c(O)c3)CC2)n1 ZINC001203881357 1313040884 /nfs/dbraw/zinc/04/08/84/1313040884.db2.gz PJGXKOQVMMPHFW-UHFFFAOYSA-N 1 0 346.383 2.642 20 10 EFCDRO COCCOc1ccc(N2CC[NH+](CCC3CCOCC3)CC2)cc1 ZINC001202668009 1294005842 /nfs/dbraw/zinc/00/58/42/1294005842.db2.gz HDHADGRZAMTCEE-UHFFFAOYSA-N 1 0 348.487 2.651 20 10 EFCDRO CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)cc1 ZINC000884180402 1294031763 /nfs/dbraw/zinc/03/17/63/1294031763.db2.gz XPPFEYNCYJAABK-SFHVURJKSA-N 1 0 337.423 2.685 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)cc1 ZINC001203932300 1313050676 /nfs/dbraw/zinc/05/06/76/1313050676.db2.gz YFXKMWIOAAJLLH-OALUTQOASA-N 1 0 327.472 2.728 20 10 EFCDRO CN(C)c1ccc(C[NH+]2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)cc1 ZINC001203930663 1313049866 /nfs/dbraw/zinc/04/98/66/1313049866.db2.gz CBCOZKWQVHVWGH-WOJBJXKFSA-N 1 0 336.483 2.711 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)Cc2cnn(C)c21 ZINC001203931071 1313050010 /nfs/dbraw/zinc/05/00/10/1313050010.db2.gz AVXMXCYHRCSLSM-QGZVFWFLSA-N 1 0 328.460 2.622 20 10 EFCDRO COCCN1CC[N@H+](Cc2ccc(N(C)C)cc2)Cc2cccnc21 ZINC001203933062 1313050396 /nfs/dbraw/zinc/05/03/96/1313050396.db2.gz GUIIKDUAGBZJBA-UHFFFAOYSA-N 1 0 340.471 2.616 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)N3CCCCC3)CC2)cc1 ZINC001203936641 1313051490 /nfs/dbraw/zinc/05/14/90/1313051490.db2.gz INRCVWYOXHDCLE-UHFFFAOYSA-N 1 0 344.503 2.913 20 10 EFCDRO Cc1cc(O[C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)ncn1 ZINC001203937213 1313051731 /nfs/dbraw/zinc/05/17/31/1313051731.db2.gz OXUNMLYDOZJBCE-GOSISDBHSA-N 1 0 326.444 2.894 20 10 EFCDRO COc1cnc(OC2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)nc1 ZINC001203936788 1313051878 /nfs/dbraw/zinc/05/18/78/1313051878.db2.gz NMIUHHKUQPUMRM-UHFFFAOYSA-N 1 0 342.443 2.595 20 10 EFCDRO CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000775726695 1294294983 /nfs/dbraw/zinc/29/49/83/1294294983.db2.gz WUDQAYAGPSGFTJ-OAHLLOKOSA-N 1 0 326.868 2.978 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C(=O)N(C)C ZINC000796355870 1294543301 /nfs/dbraw/zinc/54/33/01/1294543301.db2.gz HQCOBLAQVFIVOM-INIZCTEOSA-N 1 0 337.467 2.816 20 10 EFCDRO [O-]c1cccc(F)c1C[N@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276353987 1294569791 /nfs/dbraw/zinc/56/97/91/1294569791.db2.gz BTNQDYMJTCQCBP-IYBDPMFKSA-N 1 0 344.434 2.598 20 10 EFCDRO [O-]c1cccc(F)c1C[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276354557 1294572261 /nfs/dbraw/zinc/57/22/61/1294572261.db2.gz XIHCVVKNRMNYMT-UHFFFAOYSA-N 1 0 344.434 2.743 20 10 EFCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)ccc21 ZINC000885954185 1294585401 /nfs/dbraw/zinc/58/54/01/1294585401.db2.gz QBGQAPWXWSVYLH-GOSISDBHSA-N 1 0 330.472 2.887 20 10 EFCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000304105987 1294787257 /nfs/dbraw/zinc/78/72/57/1294787257.db2.gz JYSFXZYDDSJQGK-FQEVSTJZSA-N 1 0 326.440 2.521 20 10 EFCDRO CN(C)c1ccc(CN2CCO[C@H](C[NH+](C)C)C2)c2ccccc21 ZINC001204236974 1313105889 /nfs/dbraw/zinc/10/58/89/1313105889.db2.gz YVSGTOBOWICHTJ-QGZVFWFLSA-N 1 0 327.472 2.668 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c2ccccc21 ZINC001204235105 1313106044 /nfs/dbraw/zinc/10/60/44/1313106044.db2.gz GDPLMWMSIBCFBK-GQWLDOHISA-N 1 0 340.467 2.878 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC3(COC(=O)N3)CC2)c2ccccc21 ZINC001204240469 1313106381 /nfs/dbraw/zinc/10/63/81/1313106381.db2.gz UPFPBAIIWQLWSS-UHFFFAOYSA-N 1 0 339.439 2.980 20 10 EFCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1 ZINC000886325968 1294854495 /nfs/dbraw/zinc/85/44/95/1294854495.db2.gz XUTUEYMYFCVBKZ-UHFFFAOYSA-N 1 0 337.467 2.987 20 10 EFCDRO Oc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)c(O)c1 ZINC001204274568 1313113199 /nfs/dbraw/zinc/11/31/99/1313113199.db2.gz PBNTUHZFEWENEF-XJKSGUPXSA-N 1 0 345.468 2.651 20 10 EFCDRO O=C1N[C@H](c2ccccc2)C12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204274754 1313113214 /nfs/dbraw/zinc/11/32/14/1313113214.db2.gz IMJGYAODMFQKSF-GOSISDBHSA-N 1 0 338.407 2.551 20 10 EFCDRO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccc(O)cc2O)o1 ZINC001204272722 1313113460 /nfs/dbraw/zinc/11/34/60/1313113460.db2.gz HSGYIIQJFVPWAK-MSOLQXFVSA-N 1 0 328.412 2.848 20 10 EFCDRO Oc1ccc(C[N@@H+]2CCc3ncnc(-c4cccnc4)c3CC2)c(O)c1 ZINC001204274822 1313113745 /nfs/dbraw/zinc/11/37/45/1313113745.db2.gz UETBGJNKDXZSAG-UHFFFAOYSA-N 1 0 348.406 2.551 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1ccc(O)cc1O ZINC001204276569 1313114055 /nfs/dbraw/zinc/11/40/55/1313114055.db2.gz NIVUODRITAIBRI-LSDHHAIUSA-N 1 0 334.416 2.682 20 10 EFCDRO CC(C)(C)OC(=O)N[C@H]1CCCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204276312 1313114323 /nfs/dbraw/zinc/11/43/23/1313114323.db2.gz KDBRIQAUWRRTJN-AWEZNQCLSA-N 1 0 336.432 2.977 20 10 EFCDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccc(O)cc3O)C[C@@H]21 ZINC001204276723 1313114439 /nfs/dbraw/zinc/11/44/39/1313114439.db2.gz PDMPFKYIEJBPPR-WFASDCNBSA-N 1 0 334.416 2.539 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(O)cc2O)C(C)(C)C1 ZINC001204278825 1313115009 /nfs/dbraw/zinc/11/50/09/1313115009.db2.gz KOAUXNSZTZYEFK-UHFFFAOYSA-N 1 0 336.432 2.929 20 10 EFCDRO C[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001204278255 1313115433 /nfs/dbraw/zinc/11/54/33/1313115433.db2.gz ZXWWJDQOWHNXEP-DOMZBBRYSA-N 1 0 336.432 2.833 20 10 EFCDRO C[C@H]([NH2+]CC(=O)NC(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000775835626 1294965189 /nfs/dbraw/zinc/96/51/89/1294965189.db2.gz HGEKZJFIQLSIMV-AWEZNQCLSA-N 1 0 346.475 2.562 20 10 EFCDRO COc1ccc(OC2CC[NH+](Cc3ccc(O)cc3O)CC2)nc1 ZINC001204282623 1313115935 /nfs/dbraw/zinc/11/59/35/1313115935.db2.gz SEEHNMZBKXWYNL-UHFFFAOYSA-N 1 0 330.384 2.545 20 10 EFCDRO c1cnc(N2C[C@@H]3C[NH+](Cc4ccc(N5CCCC5)cc4)C[C@H]3C2)nc1 ZINC001204321968 1313122523 /nfs/dbraw/zinc/12/25/23/1313122523.db2.gz HMVYAFKQBHANTA-OALUTQOASA-N 1 0 349.482 2.645 20 10 EFCDRO CN1CCC2(CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)C1=O ZINC001204328277 1313123160 /nfs/dbraw/zinc/12/31/60/1313123160.db2.gz FVOHECNXEFYAFI-UHFFFAOYSA-N 1 0 327.472 2.731 20 10 EFCDRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCS1 ZINC001204328566 1313123168 /nfs/dbraw/zinc/12/31/68/1313123168.db2.gz JPIKSKIZGSGVFC-KRWDZBQOSA-N 1 0 334.485 2.767 20 10 EFCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)CC[C@@H]21 ZINC001204328984 1313123424 /nfs/dbraw/zinc/12/34/24/1313123424.db2.gz AFGCTQSXJSUNFE-HKUYNNGSSA-N 1 0 327.472 2.730 20 10 EFCDRO COc1cc(C[NH+]2CCC(COc3cccnc3)CC2)cc(O)c1O ZINC001204343494 1313126197 /nfs/dbraw/zinc/12/61/97/1313126197.db2.gz RVONXEDZFGAVPU-UHFFFAOYSA-N 1 0 344.411 2.792 20 10 EFCDRO C[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)c1ccc(Br)cc1O ZINC000886670398 1295098635 /nfs/dbraw/zinc/09/86/35/1295098635.db2.gz OCNYWKBPOCIAFA-DRZSPHRISA-N 1 0 344.249 2.735 20 10 EFCDRO COc1cc(CN2CC[C@H]([NH+]3CCCCC3)[C@@H](F)C2)cc(O)c1O ZINC001204350276 1313127079 /nfs/dbraw/zinc/12/70/79/1313127079.db2.gz FNAUWMMMPYUIMR-GJZGRUSLSA-N 1 0 338.423 2.505 20 10 EFCDRO COc1cc(CN2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cc(O)c1O ZINC001204346433 1313127451 /nfs/dbraw/zinc/12/74/51/1313127451.db2.gz PKVJUYLVOQFBKC-HOTGVXAUSA-N 1 0 334.460 2.945 20 10 EFCDRO COc1cc(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc(O)c1O ZINC001204347361 1313127507 /nfs/dbraw/zinc/12/75/07/1313127507.db2.gz RFEDUHWGXMUCIR-UHFFFAOYSA-N 1 0 346.471 2.947 20 10 EFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000886749394 1295134404 /nfs/dbraw/zinc/13/44/04/1295134404.db2.gz RMTZUOBARXYZPW-RTBURBONSA-N 1 0 327.472 2.667 20 10 EFCDRO CC[C@H](C)N1C[C@@]2(F)CN(Cc3cccc(C)c3O)C[C@@]2(F)C1=O ZINC001273769840 1295179066 /nfs/dbraw/zinc/17/90/66/1295179066.db2.gz MOBPJFJANWYTEH-DOPJRALCSA-N 1 0 338.398 2.574 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@](O)(CF)[C@@H](F)C3)c2c1 ZINC001234525848 1313145705 /nfs/dbraw/zinc/14/57/05/1313145705.db2.gz LDPORGAFXKBCAW-ROUUACIJSA-N 1 0 337.366 2.798 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@]4(CCNC4=O)C3)c2c1 ZINC001234536463 1313149407 /nfs/dbraw/zinc/14/94/07/1313149407.db2.gz PASKVEGXMSCTGH-FQEVSTJZSA-N 1 0 340.423 2.656 20 10 EFCDRO CC(C)CNC(=O)C1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000887560178 1295435385 /nfs/dbraw/zinc/43/53/85/1295435385.db2.gz CESJTJQEWFFBSE-UHFFFAOYSA-N 1 0 341.455 2.925 20 10 EFCDRO COc1ccc2ccc(O)c(C[NH+]3CCC(n4cnnc4)CC3)c2c1 ZINC001234562857 1313158718 /nfs/dbraw/zinc/15/87/18/1313158718.db2.gz WGFFIXFRTYXMMH-UHFFFAOYSA-N 1 0 338.411 2.983 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC(=O)N4CCC[C@@H]4C3)c2c1 ZINC001234569671 1313160624 /nfs/dbraw/zinc/16/06/24/1313160624.db2.gz QFUGESRJEJEQBD-OAHLLOKOSA-N 1 0 340.423 2.751 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](N(C)C(C)=O)C3)c2c1 ZINC001234569947 1313160803 /nfs/dbraw/zinc/16/08/03/1313160803.db2.gz UYTQQJNOSNCIJS-OAHLLOKOSA-N 1 0 328.412 2.607 20 10 EFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(C)c2O)[C@H]1OC ZINC000775978387 1295540370 /nfs/dbraw/zinc/54/03/70/1295540370.db2.gz KRTQOXIAAVSCES-GZBFAFLISA-N 1 0 344.249 2.745 20 10 EFCDRO COC(=O)[C@H]1C[N@H+](Cc2c(O)ccc3ccc(OC)cc32)CC12CC2 ZINC001234577179 1313162046 /nfs/dbraw/zinc/16/20/46/1313162046.db2.gz AYYLZDOQQUDRAJ-QGZVFWFLSA-N 1 0 341.407 2.939 20 10 EFCDRO CCO[C@H](CC)C(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001199594459 1295608444 /nfs/dbraw/zinc/60/84/44/1295608444.db2.gz HKOAGNBUQPUWCK-GOSISDBHSA-N 1 0 348.487 2.899 20 10 EFCDRO CCCOCC(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001199629342 1295637127 /nfs/dbraw/zinc/63/71/27/1295637127.db2.gz WOTKIIGJYIOIAJ-UHFFFAOYSA-N 1 0 334.460 2.511 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)nc1 ZINC000776007840 1295671704 /nfs/dbraw/zinc/67/17/04/1295671704.db2.gz MCFUFGPHYMDDBO-OAHLLOKOSA-N 1 0 327.428 2.778 20 10 EFCDRO COCCCC(=O)N1CCC(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001204617411 1313173840 /nfs/dbraw/zinc/17/38/40/1313173840.db2.gz FNTUEHKLEGQKOT-UHFFFAOYSA-N 1 0 348.487 2.758 20 10 EFCDRO CC[NH+]1CCN(c2ccc(OCC[C@H]3COC(C)(C)O3)cc2)CC1 ZINC001234657219 1313178677 /nfs/dbraw/zinc/17/86/77/1313178677.db2.gz COHSMEGITWSQLJ-SFHVURJKSA-N 1 0 334.460 2.749 20 10 EFCDRO CC[NH+]1CCN(c2ccc(O[C@@H]3CCC[C@H](C(=O)OC)C3)cc2)CC1 ZINC001234660378 1313179413 /nfs/dbraw/zinc/17/94/13/1313179413.db2.gz HFVZMJVVSDEQML-QFBILLFUSA-N 1 0 346.471 2.939 20 10 EFCDRO CCC[C@H](Oc1ccc(N2CC[NH+](CC)CC2)cc1)C(=O)OCC ZINC001234658130 1313179467 /nfs/dbraw/zinc/17/94/67/1313179467.db2.gz VAUJRFSBYGAWHI-SFHVURJKSA-N 1 0 334.460 2.939 20 10 EFCDRO C[C@H]1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C(C)(C)C1 ZINC000889658722 1295790375 /nfs/dbraw/zinc/79/03/75/1295790375.db2.gz LOCBAHVISALUKA-MRXNPFEDSA-N 1 0 344.503 2.768 20 10 EFCDRO CN(C[C@H]1CC1(C)C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889660711 1295792370 /nfs/dbraw/zinc/79/23/70/1295792370.db2.gz GLDHXSFTCJBGQG-QGZVFWFLSA-N 1 0 344.503 2.626 20 10 EFCDRO CCCN(C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000889660694 1295792450 /nfs/dbraw/zinc/79/24/50/1295792450.db2.gz GAORKMPDMYJOSE-UHFFFAOYSA-N 1 0 332.492 2.768 20 10 EFCDRO CC[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCOCC1 ZINC000776028452 1295796229 /nfs/dbraw/zinc/79/62/29/1295796229.db2.gz BYDAHKFZBRUJBA-IBGZPJMESA-N 1 0 347.503 2.506 20 10 EFCDRO CC[C@](C)(CCO)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000305049869 1295856951 /nfs/dbraw/zinc/85/69/51/1295856951.db2.gz GSFWXHYPQSBKJL-CQSZACIVSA-N 1 0 332.238 2.804 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(N2CCOCC2)c(F)c1 ZINC000305075526 1295875306 /nfs/dbraw/zinc/87/53/06/1295875306.db2.gz NPEUEAWSAXLFOZ-DYVFJYSZSA-N 1 0 334.391 2.640 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@]2(CCN(CC(F)(F)F)C2=O)C1 ZINC001274301941 1296055377 /nfs/dbraw/zinc/05/53/77/1296055377.db2.gz VVJJEEJERQTYAU-MRXNPFEDSA-N 1 0 342.361 2.687 20 10 EFCDRO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234996855 1313218973 /nfs/dbraw/zinc/21/89/73/1313218973.db2.gz NOSJRNIFVPRKDO-MRXNPFEDSA-N 1 0 331.437 2.678 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCN(C)C3=O)CC2)c(O)c1 ZINC001274660273 1296132445 /nfs/dbraw/zinc/13/24/45/1296132445.db2.gz HAILGSXXZULQBB-LJQANCHMSA-N 1 0 332.444 2.544 20 10 EFCDRO CNC(=O)NC1CC[NH+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234997980 1313219790 /nfs/dbraw/zinc/21/97/90/1313219790.db2.gz GQWWNGQCDLPJNL-UHFFFAOYSA-N 1 0 339.439 2.953 20 10 EFCDRO COc1ccc(N2CCC[C@]3(CCN(C4COC4)C3=O)CC2)c(C)c1 ZINC001274874177 1296198747 /nfs/dbraw/zinc/19/87/47/1296198747.db2.gz UKXNSQVDZVASBZ-HXUWFJFHSA-N 1 0 344.455 2.611 20 10 EFCDRO CC1=CCC=C[C@@H]1C(=O)N1CCC2(C[NH+](Cc3ccccc3O)C2)C1 ZINC001275267251 1296246496 /nfs/dbraw/zinc/24/64/96/1296246496.db2.gz ZZEMSSIGQAVMHG-SFHVURJKSA-N 1 0 338.451 2.949 20 10 EFCDRO O=C(Nc1cccnc1)N1CCC2(C[NH+](Cc3ccccc3O)C2)C1 ZINC001275267610 1296246664 /nfs/dbraw/zinc/24/66/64/1296246664.db2.gz SVQHUTUFWKHWQH-UHFFFAOYSA-N 1 0 338.411 2.527 20 10 EFCDRO Oc1c(CN2CCOC[C@]3(CCC[NH2+]C3)C2)cccc1C(F)(F)F ZINC001235022847 1313226854 /nfs/dbraw/zinc/22/68/54/1313226854.db2.gz QSYFOISDVATGNT-INIZCTEOSA-N 1 0 344.377 2.613 20 10 EFCDRO CC(C)NC(=O)N1CCC2(C1)CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001275425731 1296279276 /nfs/dbraw/zinc/27/92/76/1296279276.db2.gz SJGIAEBVUBWAIB-UHFFFAOYSA-N 1 0 347.459 2.504 20 10 EFCDRO CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001037276480 1296316084 /nfs/dbraw/zinc/31/60/84/1296316084.db2.gz HEYWKSLLHYXREX-UKRRQHHQSA-N 1 0 331.420 2.747 20 10 EFCDRO Cc1cc(CN2CCC[C@@]23CC[NH2+]C3)c(O)cc1Br ZINC001235116861 1313245491 /nfs/dbraw/zinc/24/54/91/1313245491.db2.gz ZLYSSAODQPJPAJ-HNNXBMFYSA-N 1 0 325.250 2.791 20 10 EFCDRO Clc1cc(CN2CCCC[C@]23CC[NH2+]C3)ccc1N1CCOCC1 ZINC001235119227 1313245900 /nfs/dbraw/zinc/24/59/00/1313245900.db2.gz PWZNPYNEZUYLMU-LJQANCHMSA-N 1 0 349.906 2.895 20 10 EFCDRO Cc1nc2c(ccn2C)c(-c2ccc(OCCC[NH+](C)C)nc2)n1 ZINC001205212680 1313252041 /nfs/dbraw/zinc/25/20/41/1313252041.db2.gz XNPRJCVISNCPOL-UHFFFAOYSA-N 1 0 325.416 2.669 20 10 EFCDRO Oc1ccc(F)cc1C[N@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275908663 1296445858 /nfs/dbraw/zinc/44/58/58/1296445858.db2.gz GLRXZAKXLQWAKM-IYBDPMFKSA-N 1 0 344.434 2.598 20 10 EFCDRO [NH3+]C[C@]1(O)CCC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 ZINC001205249301 1313259104 /nfs/dbraw/zinc/25/91/04/1313259104.db2.gz VLGOGUBIFWIPNP-FQEVSTJZSA-N 1 0 344.430 2.874 20 10 EFCDRO Cc1ccc(C)c(C[N@H+]2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)c1O ZINC001275969079 1296464370 /nfs/dbraw/zinc/46/43/70/1296464370.db2.gz ZCNLTOVBITVDCT-DOTOQJQBSA-N 1 0 331.460 2.633 20 10 EFCDRO Cn1c(=O)ccc2ccc(-c3ccc(OCCC[NH+](C)C)nc3)cc21 ZINC001205255219 1313260237 /nfs/dbraw/zinc/26/02/37/1313260237.db2.gz COPJLHLFQASMNG-UHFFFAOYSA-N 1 0 337.423 2.931 20 10 EFCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(C(=O)OC)ccn1 ZINC001235209125 1313264075 /nfs/dbraw/zinc/26/40/75/1313264075.db2.gz BDMHPVSXAZYGTO-UHFFFAOYSA-N 1 0 327.428 2.956 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@H]3CCC[NH2+][C@H]3C2)c2ccccc2n1C ZINC001235218656 1313266527 /nfs/dbraw/zinc/26/65/27/1313266527.db2.gz JBQRIHGJHLJBAX-PBHICJAKSA-N 1 0 341.455 2.539 20 10 EFCDRO Cc1cc(Br)cc(CN2C[C@H]3CCC[NH2+][C@H]3C2)c1O ZINC001235219092 1313266531 /nfs/dbraw/zinc/26/65/31/1313266531.db2.gz QSGLBZSEFMAXPB-RISCZKNCSA-N 1 0 325.250 2.647 20 10 EFCDRO Cc1cc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c(O)cc1Br ZINC001235248199 1313274314 /nfs/dbraw/zinc/27/43/14/1313274314.db2.gz POXNZFHQOWOIOY-IUODEOHRSA-N 1 0 325.250 2.776 20 10 EFCDRO COCCOCN1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(C)c1O)C2 ZINC001276080241 1296594456 /nfs/dbraw/zinc/59/44/56/1296594456.db2.gz LNUDWXNWOULYMU-FQEVSTJZSA-N 1 0 348.487 2.609 20 10 EFCDRO COC(=O)c1occc1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000776153661 1296715621 /nfs/dbraw/zinc/71/56/21/1296715621.db2.gz CATZLNVIFPCLCN-UHFFFAOYSA-N 1 0 344.411 2.833 20 10 EFCDRO C[N@@H+](Cc1cc(-c2ccc(F)cc2)ccc1O)C[C@@H]1CNCCO1 ZINC001205537168 1313308022 /nfs/dbraw/zinc/30/80/22/1313308022.db2.gz DQNWFNCKLMDWGB-SFHVURJKSA-N 1 0 330.403 2.619 20 10 EFCDRO C[N@@H+]1CC[C@H]1CNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000925411939 1296834445 /nfs/dbraw/zinc/83/44/45/1296834445.db2.gz RSXVEQVBEBCUIE-KRWDZBQOSA-N 1 0 331.460 2.941 20 10 EFCDRO C[C@@H]1NCCC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000925574262 1296857764 /nfs/dbraw/zinc/85/77/64/1296857764.db2.gz CVRJQXXISLEWDQ-SUMWQHHRSA-N 1 0 339.430 2.987 20 10 EFCDRO Oc1ccc(C(F)(F)F)cc1CN1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235401070 1313312618 /nfs/dbraw/zinc/31/26/18/1313312618.db2.gz GIANMBDTSKOFGX-CABCVRRESA-N 1 0 332.341 2.935 20 10 EFCDRO [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001205580257 1313316894 /nfs/dbraw/zinc/31/68/94/1313316894.db2.gz RUJKPQYHSLHKDL-AWEZNQCLSA-N 1 0 349.219 2.947 20 10 EFCDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000926558223 1296934927 /nfs/dbraw/zinc/93/49/27/1296934927.db2.gz CEWHXYUTDYUYHJ-AWEZNQCLSA-N 1 0 347.409 2.917 20 10 EFCDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001235457953 1313327402 /nfs/dbraw/zinc/32/74/02/1313327402.db2.gz JXXMREIKSMHLOR-SFHVURJKSA-N 1 0 337.895 2.606 20 10 EFCDRO COc1cc(O)c(C[NH2+]Cc2nc3cc(F)ccc3n2C)cc1OC ZINC000776213541 1297080675 /nfs/dbraw/zinc/08/06/75/1297080675.db2.gz DWDWYEIHKZZBTB-UHFFFAOYSA-N 1 0 345.374 2.725 20 10 EFCDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776238382 1297226424 /nfs/dbraw/zinc/22/64/24/1297226424.db2.gz NMIFBFNXMKTROC-YJBOKZPZSA-N 1 0 332.492 2.795 20 10 EFCDRO Nc1ccc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC001235599366 1313357947 /nfs/dbraw/zinc/35/79/47/1313357947.db2.gz YJPIFRFKFXPFGP-UYAOXDASSA-N 1 0 341.430 2.745 20 10 EFCDRO C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N(C)C)cc1 ZINC000776248900 1297270893 /nfs/dbraw/zinc/27/08/93/1297270893.db2.gz LGPKDYRMAIGDSO-QGTPRVQTSA-N 1 0 330.476 2.692 20 10 EFCDRO COC(=O)c1c(CN2C[C@@H](C)CC[C@H]2C[NH3+])c2ccccc2n1C ZINC001205838520 1313364118 /nfs/dbraw/zinc/36/41/18/1313364118.db2.gz CKYNOYZXOCZPED-KBPBESRZSA-N 1 0 329.444 2.524 20 10 EFCDRO C[C@H]1CC[C@@H](C[NH3+])N(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001205840923 1313364389 /nfs/dbraw/zinc/36/43/89/1313364389.db2.gz ITYCEDWZVQQAOL-HOCLYGCPSA-N 1 0 337.895 2.736 20 10 EFCDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001205856513 1313367088 /nfs/dbraw/zinc/36/70/88/1313367088.db2.gz WERVANLGOFPINB-YPMHNXCESA-N 1 0 332.366 2.893 20 10 EFCDRO CC(C)(C)c1ccc(C[N@@H+]2CCOC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC001235676050 1313372025 /nfs/dbraw/zinc/37/20/25/1313372025.db2.gz OLQREIZOOCNYAC-MRXNPFEDSA-N 1 0 347.377 2.815 20 10 EFCDRO C[C@@H]1CN(C2C[NH+](Cc3ccc(C(C)(C)C)cc3O)C2)C[C@H](C)O1 ZINC001235678463 1313373630 /nfs/dbraw/zinc/37/36/30/1313373630.db2.gz BQQKVZWFZSDWOV-GASCZTMLSA-N 1 0 332.488 2.983 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[C@H](C[NH3+])[C@@H]2C)c2ccccc2n1C ZINC001205912938 1313374916 /nfs/dbraw/zinc/37/49/16/1313374916.db2.gz FFEBWLRJVIPAKN-LSDHHAIUSA-N 1 0 343.471 2.914 20 10 EFCDRO CC(C)(C)c1ccc(C[NH+]2CCN(C[C@H]3CCCO3)CC2)c(O)c1 ZINC001235686042 1313375322 /nfs/dbraw/zinc/37/53/22/1313375322.db2.gz WSYPIJIYNBOKRM-GOSISDBHSA-N 1 0 332.488 2.986 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CSC)C23CCC3)cc1C ZINC001202406551 1297365755 /nfs/dbraw/zinc/36/57/55/1297365755.db2.gz JRYHLDVAGCCZGB-DLBZAZTESA-N 1 0 348.512 2.884 20 10 EFCDRO CN1CCOc2cc(CN3CC[NH2+]C[C@H]3c3ccccc3F)ccc21 ZINC001235735517 1313385240 /nfs/dbraw/zinc/38/52/40/1313385240.db2.gz HKXQUZRPRRDPLF-IBGZPJMESA-N 1 0 341.430 2.801 20 10 EFCDRO Cc1cc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)c(O)c1 ZINC001276364683 1297449756 /nfs/dbraw/zinc/44/97/56/1297449756.db2.gz CDDVEXBAROJSIU-CALCHBBNSA-N 1 0 326.444 2.581 20 10 EFCDRO CC[C@H]1C(=O)NCCN1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000106855674 1297584654 /nfs/dbraw/zinc/58/46/54/1297584654.db2.gz IBMSCYZFDMDAQI-AWEZNQCLSA-N 1 0 328.412 2.728 20 10 EFCDRO Cc1cc(Br)cc(CN2CC[C@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206197395 1313419434 /nfs/dbraw/zinc/41/94/34/1313419434.db2.gz IFOVUMCCGCGJBP-STQMWFEESA-N 1 0 331.229 2.724 20 10 EFCDRO COCCOc1ccccc1N1CC[NH+](Cc2ccccc2O)CC1 ZINC000779025559 1297745741 /nfs/dbraw/zinc/74/57/41/1297745741.db2.gz OLOFUOGNZHMUBB-UHFFFAOYSA-N 1 0 342.439 2.740 20 10 EFCDRO CCN(Cc1c(Br)ccc(OC)c1O)[C@H]1CCC[NH2+]C1 ZINC001236007594 1313430775 /nfs/dbraw/zinc/43/07/75/1313430775.db2.gz OKNBOPNABFJZRA-NSHDSACASA-N 1 0 343.265 2.737 20 10 EFCDRO [NH3+]C[C@@]1(F)CCCCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001206370148 1313443494 /nfs/dbraw/zinc/44/34/94/1313443494.db2.gz LGBLWNDMTAABGG-AWEZNQCLSA-N 1 0 336.329 2.944 20 10 EFCDRO COc1cc(O)c(CN2CC[NH2+]C[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC001236126204 1313444354 /nfs/dbraw/zinc/44/43/54/1313444354.db2.gz SDJDBPPSOKLBML-QGZVFWFLSA-N 1 0 346.402 2.695 20 10 EFCDRO CCC[C@@H]1C[NH2+]CCN1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001236130370 1313444601 /nfs/dbraw/zinc/44/46/01/1313444601.db2.gz CXEQIURGWBOZDN-QGZVFWFLSA-N 1 0 329.488 2.665 20 10 EFCDRO CCCC[C@H]1CN(Cc2c3ccccc3n(C)c2C(=O)OC)CC[NH2+]1 ZINC001236139554 1313446218 /nfs/dbraw/zinc/44/62/18/1313446218.db2.gz YMSOIZLUPRXZDO-HNNXBMFYSA-N 1 0 343.471 2.929 20 10 EFCDRO CCC[C@H]1CN(Cc2c3ccccc3n(C)c2C(=O)OCC)CC[NH2+]1 ZINC001236177581 1313452084 /nfs/dbraw/zinc/45/20/84/1313452084.db2.gz FHANNVGHVKVXKW-HNNXBMFYSA-N 1 0 343.471 2.929 20 10 EFCDRO OCC[C@H]([NH2+]Cc1ccc(Br)cc1O)c1ccco1 ZINC000825535727 1298022215 /nfs/dbraw/zinc/02/22/15/1298022215.db2.gz BQYAOVSFMKCGOP-LBPRGKRZSA-N 1 0 326.190 2.961 20 10 EFCDRO COc1cccc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c1O ZINC000189617725 1298033570 /nfs/dbraw/zinc/03/35/70/1298033570.db2.gz MLZCDPUQWWXUGS-WFASDCNBSA-N 1 0 333.350 2.974 20 10 EFCDRO CN(Cc1ccc(N2CCOCC2)cc1Cl)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218956 1313457542 /nfs/dbraw/zinc/45/75/42/1313457542.db2.gz TYMIXNPSVPIFBC-ROUUACIJSA-N 1 0 337.895 2.878 20 10 EFCDRO CCCN(Cc1cc2c3c(c1O)CCCN3CCC2)[C@H]1CC[NH2+]C1 ZINC001236323205 1313469012 /nfs/dbraw/zinc/46/90/12/1313469012.db2.gz GKYOEKWHNDOXHJ-KRWDZBQOSA-N 1 0 329.488 2.665 20 10 EFCDRO CCCN(Cc1ccc(N2CCOCC2)cc1Cl)[C@H]1CC[NH2+]C1 ZINC001236324093 1313469759 /nfs/dbraw/zinc/46/97/59/1313469759.db2.gz NZEVENBYPMZLOC-KRWDZBQOSA-N 1 0 337.895 2.751 20 10 EFCDRO CCCN(Cc1ccc(N2CCOCC2)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC001236324095 1313469812 /nfs/dbraw/zinc/46/98/12/1313469812.db2.gz NZEVENBYPMZLOC-QGZVFWFLSA-N 1 0 337.895 2.751 20 10 EFCDRO CCCN(Cc1c(Br)ccc(OC)c1O)[C@@H]1CC[NH2+]C1 ZINC001236323690 1313469929 /nfs/dbraw/zinc/46/99/29/1313469929.db2.gz JRLYJKMBFDSTFU-LLVKDONJSA-N 1 0 343.265 2.737 20 10 EFCDRO COCCN(Cc1cccc(C(F)(F)F)c1O)[C@H]1CCC[NH2+]C1 ZINC001236332941 1313471305 /nfs/dbraw/zinc/47/13/05/1313471305.db2.gz UVPGGAFKZMKHHL-ZDUSSCGKSA-N 1 0 332.366 2.611 20 10 EFCDRO CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001049914212 1313477124 /nfs/dbraw/zinc/47/71/24/1313477124.db2.gz BGBSUTCZMXXUSH-CVEARBPZSA-N 1 0 343.431 2.938 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[C@@H]2C[NH2+]C)c2ccccc2n1C ZINC001236421158 1313478499 /nfs/dbraw/zinc/47/84/99/1313478499.db2.gz APFGHJQFCZYHHW-CQSZACIVSA-N 1 0 329.444 2.539 20 10 EFCDRO CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001049918677 1313483584 /nfs/dbraw/zinc/48/35/84/1313483584.db2.gz SDZZITLOHJQVAS-HUUCEWRRSA-N 1 0 329.404 2.548 20 10 EFCDRO CC(C)N(Cc1cc(Br)c(F)cc1[O-])[C@@H]1CC[NH2+]C1 ZINC001236531171 1313488959 /nfs/dbraw/zinc/48/89/59/1313488959.db2.gz VRIRCZVROFERGM-LLVKDONJSA-N 1 0 331.229 2.866 20 10 EFCDRO COC(=O)c1c(CN2C[C@H](C[NH3+])CC[C@@H]2C)c2ccccc2n1C ZINC001206770125 1313504250 /nfs/dbraw/zinc/50/42/50/1313504250.db2.gz RGNMWKIHZAOTPL-KBPBESRZSA-N 1 0 329.444 2.524 20 10 EFCDRO Cc1cc(Br)c([O-])c(C[N@H+]2CCc3nccn3CC2)c1 ZINC001236669696 1313506439 /nfs/dbraw/zinc/50/64/39/1313506439.db2.gz QSEVGRVVSMDPDN-UHFFFAOYSA-N 1 0 336.233 2.718 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c1 ZINC001236668658 1313506602 /nfs/dbraw/zinc/50/66/02/1313506602.db2.gz DJCZDRKOQYXPCO-SWLSCSKDSA-N 1 0 339.277 2.989 20 10 EFCDRO CC(=O)N1CCN(Cc2cc(C)cc(Br)c2O)C[C@@H]1C ZINC001236670128 1313507055 /nfs/dbraw/zinc/50/70/55/1313507055.db2.gz UPYXUCOLBINNMI-NSHDSACASA-N 1 0 341.249 2.516 20 10 EFCDRO COc1cc(C[N@@H+]2CCCC[C@H]2CO)c(O)cc1Br ZINC001236744439 1313520391 /nfs/dbraw/zinc/52/03/91/1313520391.db2.gz BWPNSVSDUUQFGR-NSHDSACASA-N 1 0 330.222 2.510 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@H](CO)CC2)c(O)cc1Br ZINC001236748051 1313520960 /nfs/dbraw/zinc/52/09/60/1313520960.db2.gz KHNYLHKSGWHRJX-NSHDSACASA-N 1 0 344.249 2.758 20 10 EFCDRO COc1cc(C[N@H+]2CCC[C@H](OC)C2)c(O)cc1Br ZINC001236746305 1313521110 /nfs/dbraw/zinc/52/11/10/1313521110.db2.gz XCHQSCFYHJFRLG-NSHDSACASA-N 1 0 330.222 2.774 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@]3(CCCO3)C2)c(O)cc1Br ZINC001236744715 1313521146 /nfs/dbraw/zinc/52/11/46/1313521146.db2.gz BXSWMRRUWLERSS-OAHLLOKOSA-N 1 0 342.233 2.918 20 10 EFCDRO COc1cc(C[N@@H+]2C[C@@H](CO)CC[C@H]2C)c(O)cc1Br ZINC001236747030 1313521228 /nfs/dbraw/zinc/52/12/28/1313521228.db2.gz IEOHXQZVQRHREE-MNOVXSKESA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)[C@H](C)C2)cc1OC ZINC001236748999 1313521617 /nfs/dbraw/zinc/52/16/17/1313521617.db2.gz DGVHDPOOJKCXGW-MEBBXXQBSA-N 1 0 349.349 2.545 20 10 EFCDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c(C)n1-c1ccccn1 ZINC000108329019 1298545398 /nfs/dbraw/zinc/54/53/98/1298545398.db2.gz PJNPHPJGKQEJJF-INIZCTEOSA-N 1 0 326.444 2.561 20 10 EFCDRO COc1cc(CN2CC[C@H](C(C)=O)C2)c(O)cc1Br ZINC001236752003 1313522404 /nfs/dbraw/zinc/52/24/04/1313522404.db2.gz RSJHJVCMKKLUTO-JTQLQIEISA-N 1 0 328.206 2.574 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCN(c3cccnc3)CC2)cc1OC ZINC001236753302 1313522601 /nfs/dbraw/zinc/52/26/01/1313522601.db2.gz KNTPXXXJTHDJSJ-UHFFFAOYSA-N 1 0 343.427 2.517 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H](O)C[C@H]2C)c(O)cc1Br ZINC001236757730 1313522889 /nfs/dbraw/zinc/52/28/89/1313522889.db2.gz WUEWSONEXPSTTP-KOLCDFICSA-N 1 0 330.222 2.509 20 10 EFCDRO Oc1cc(CN2CC[C@H]([NH+]3CCCC3)C2)c(O)cc1Br ZINC001236763386 1313524240 /nfs/dbraw/zinc/52/42/40/1313524240.db2.gz YNZHBUCUMYJBBN-LBPRGKRZSA-N 1 0 341.249 2.530 20 10 EFCDRO O=C1CCC[C@@H]2C[N@@H+](Cc3cc(O)c(Br)cc3O)C[C@H]12 ZINC001236763729 1313524710 /nfs/dbraw/zinc/52/47/10/1313524710.db2.gz CCSJGYJBPWSYOI-KOLCDFICSA-N 1 0 340.217 2.661 20 10 EFCDRO C[C@]1(O)CCCC[N@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236769788 1313525038 /nfs/dbraw/zinc/52/50/38/1313525038.db2.gz YUDPKLQBNNLFBI-AWEZNQCLSA-N 1 0 330.222 2.597 20 10 EFCDRO C[C@H]1C[N@H+](Cc2cc(O)c(Br)cc2O)CCC[C@]1(C)O ZINC001236769572 1313525155 /nfs/dbraw/zinc/52/51/55/1313525155.db2.gz WEMWSPVQWOXAHA-BONVTDFDSA-N 1 0 344.249 2.843 20 10 EFCDRO C[C@@]1(O)CCCC[N@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236769793 1313525280 /nfs/dbraw/zinc/52/52/80/1313525280.db2.gz YUDPKLQBNNLFBI-CQSZACIVSA-N 1 0 330.222 2.597 20 10 EFCDRO OC[C@@]1(F)CCC[N@H+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001236769520 1313525408 /nfs/dbraw/zinc/52/54/08/1313525408.db2.gz VSQIUNVPENFFIZ-CQSZACIVSA-N 1 0 348.212 2.547 20 10 EFCDRO Oc1cc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c(O)cc1Br ZINC001236769625 1313525495 /nfs/dbraw/zinc/52/54/95/1313525495.db2.gz XNOXXGUOMQDJAO-BDAKNGLRSA-N 1 0 334.160 2.947 20 10 EFCDRO CC[NH+]1CCC(N(C)Cc2cc(O)c(Br)cc2O)CC1 ZINC001236772427 1313526127 /nfs/dbraw/zinc/52/61/27/1313526127.db2.gz AUIYMKTUEVHHKO-UHFFFAOYSA-N 1 0 343.265 2.776 20 10 EFCDRO C[C@@]1(O)COCC[N@H+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236779133 1313527931 /nfs/dbraw/zinc/52/79/31/1313527931.db2.gz QSCAZDYJWJAHON-FQEVSTJZSA-N 1 0 343.423 2.554 20 10 EFCDRO CCc1ccc(C[N@@H+]2CCc3onc(Cn4ccnc4)c3C2)c(O)c1 ZINC001236786067 1313528389 /nfs/dbraw/zinc/52/83/89/1313528389.db2.gz LQVGZVONEAIYQP-UHFFFAOYSA-N 1 0 338.411 2.746 20 10 EFCDRO CCO[C@H]1CC[N@H+](Cc2ccc(CC)cc2O)[C@H]1Cc1cnn(C)c1 ZINC001236788918 1313529213 /nfs/dbraw/zinc/52/92/13/1313529213.db2.gz XBCWZAVHYRETHF-ICSRJNTNSA-N 1 0 343.471 2.910 20 10 EFCDRO CCc1ccc(C[NH+]2CCC(NC(=O)c3cccnc3)CC2)c(O)c1 ZINC001236788520 1313529366 /nfs/dbraw/zinc/52/93/66/1313529366.db2.gz OTKLLWMZZVPRAZ-UHFFFAOYSA-N 1 0 339.439 2.744 20 10 EFCDRO COC(=O)CC1C[NH+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236787741 1313529408 /nfs/dbraw/zinc/52/94/08/1313529408.db2.gz CMAWRYVUAXQYQP-UHFFFAOYSA-N 1 0 341.407 2.966 20 10 EFCDRO Oc1ccc(OCc2ccccc2)cc1C[NH+]1CC2(CC(O)C2)C1 ZINC001236794113 1313530292 /nfs/dbraw/zinc/53/02/92/1313530292.db2.gz XQHFHSAISIKAJG-UHFFFAOYSA-N 1 0 325.408 2.928 20 10 EFCDRO CCc1ccc(C[NH+]2CCN(c3ccc(Cl)nn3)CC2)c(O)c1 ZINC001236792800 1313530314 /nfs/dbraw/zinc/53/03/14/1313530314.db2.gz RNBDXGFRLPVMRZ-UHFFFAOYSA-N 1 0 332.835 2.720 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c(Cl)c1 ZINC001236796920 1313530410 /nfs/dbraw/zinc/53/04/10/1313530410.db2.gz IGICFWSMBRTKSP-KRWDZBQOSA-N 1 0 338.835 2.689 20 10 EFCDRO COc1cc(O)c(CN2CC([NH+]3CCC(F)CC3)C2)c(Cl)c1 ZINC001236804748 1313532123 /nfs/dbraw/zinc/53/21/23/1313532123.db2.gz XOWVJWFJSCKSJK-UHFFFAOYSA-N 1 0 328.815 2.672 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(N3CC(F)C3)CC2)c(Cl)c1 ZINC001236803551 1313532269 /nfs/dbraw/zinc/53/22/69/1313532269.db2.gz OWWRRBRKAYSOTD-UHFFFAOYSA-N 1 0 328.815 2.672 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(N3CC(F)(F)C3)CC2)c(Cl)c1 ZINC001236804750 1313532413 /nfs/dbraw/zinc/53/24/13/1313532413.db2.gz XSSFFVUCIKQNGJ-UHFFFAOYSA-N 1 0 346.805 2.970 20 10 EFCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236802609 1313532568 /nfs/dbraw/zinc/53/25/68/1313532568.db2.gz JORYBFSOZPJFPV-INIZCTEOSA-N 1 0 327.808 2.829 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c(O)c1 ZINC001236808031 1313532713 /nfs/dbraw/zinc/53/27/13/1313532713.db2.gz KQNHTZGZBZLPFC-NHYWBVRUSA-N 1 0 333.350 2.844 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001236806733 1313532878 /nfs/dbraw/zinc/53/28/78/1313532878.db2.gz ALLOHZCFACFLSQ-ABAIWWIYSA-N 1 0 333.350 2.844 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3ncc(C)cn3)C2)c(Cl)c1 ZINC001236806470 1313533039 /nfs/dbraw/zinc/53/30/39/1313533039.db2.gz WUZUZNPJSRDBPC-GFCCVEGCSA-N 1 0 349.818 2.806 20 10 EFCDRO COC(=O)C[N@H+](Cc1ccc(OC)c(Cl)c1[O-])C1CCCC1 ZINC001236807003 1313533397 /nfs/dbraw/zinc/53/33/97/1313533397.db2.gz LOEWHNYDVOHUQA-UHFFFAOYSA-N 1 0 327.808 2.972 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001236808292 1313534351 /nfs/dbraw/zinc/53/43/51/1313534351.db2.gz OVTLQODIRUWROZ-ZDUSSCGKSA-N 1 0 336.432 2.808 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)c(O)c1 ZINC001236813928 1313534756 /nfs/dbraw/zinc/53/47/56/1313534756.db2.gz MVZAZKDQFYEVBT-KRWDZBQOSA-N 1 0 332.444 2.686 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c(O)c1 ZINC001236811810 1313535176 /nfs/dbraw/zinc/53/51/76/1313535176.db2.gz UYJKCAJFWNZGOS-FQEVSTJZSA-N 1 0 338.407 2.805 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c(O)c1 ZINC001236817010 1313535690 /nfs/dbraw/zinc/53/56/90/1313535690.db2.gz AJCAVCQZCGVOQO-BBRMVZONSA-N 1 0 348.443 2.760 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](Oc3nccc(C)n3)C2)c(O)c1 ZINC001236815935 1313535955 /nfs/dbraw/zinc/53/59/55/1313535955.db2.gz PIUCDDHNUVWYQS-OAHLLOKOSA-N 1 0 343.427 2.851 20 10 EFCDRO Oc1cc2ccccc2cc1C[NH+]1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001236832532 1313538488 /nfs/dbraw/zinc/53/84/88/1313538488.db2.gz PDSRQUYLZHQCBM-RTBURBONSA-N 1 0 346.434 2.904 20 10 EFCDRO O=C(c1ccccn1)N1CCN(Cc2cc3ccccc3cc2O)CC1 ZINC001236835723 1313538716 /nfs/dbraw/zinc/53/87/16/1313538716.db2.gz QNDJPTLXHDAWLM-UHFFFAOYSA-N 1 0 347.418 2.898 20 10 EFCDRO Oc1cc2ccccc2cc1C[NH+]1CCN(C[C@H]2CCCO2)CC1 ZINC001236842739 1313541249 /nfs/dbraw/zinc/54/12/49/1313541249.db2.gz XXEQGUJHMGAUAD-LJQANCHMSA-N 1 0 326.440 2.842 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)C(C)(F)F)C2)cc1C ZINC000961471593 1298774220 /nfs/dbraw/zinc/77/42/20/1298774220.db2.gz KFVXGCRXNBJWOD-UHFFFAOYSA-N 1 0 326.387 2.643 20 10 EFCDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236920901 1313552709 /nfs/dbraw/zinc/55/27/09/1313552709.db2.gz APOHRSLVMJJLGX-CABCVRRESA-N 1 0 338.879 2.769 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001236918001 1313553061 /nfs/dbraw/zinc/55/30/61/1313553061.db2.gz DRJJDWWMZKNKSQ-CRAIPNDOSA-N 1 0 336.863 2.787 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001236920317 1313553871 /nfs/dbraw/zinc/55/38/71/1313553871.db2.gz TXDKKMFSUGXZCZ-SFHVURJKSA-N 1 0 349.906 2.847 20 10 EFCDRO Cc1cc(C)c(CN2C[C@@H]3C[N@H+](C4CCCC4)C[C@H](C2)O3)c(O)c1 ZINC001276365349 1298828161 /nfs/dbraw/zinc/82/81/61/1298828161.db2.gz OCAOMXZUFADCIF-HDICACEKSA-N 1 0 330.472 2.837 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001236928007 1313554545 /nfs/dbraw/zinc/55/45/45/1313554545.db2.gz TXDKKMFSUGXZCZ-GOSISDBHSA-N 1 0 349.906 2.847 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001236928161 1313555430 /nfs/dbraw/zinc/55/54/30/1313555430.db2.gz UUVJUFFFDBCYRH-GOSISDBHSA-N 1 0 349.906 2.847 20 10 EFCDRO CN(Cc1cccc(O)c1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236933671 1313556868 /nfs/dbraw/zinc/55/68/68/1313556868.db2.gz ZIFYPUUSCOKLTR-UHFFFAOYSA-N 1 0 343.446 2.915 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN3CCc4occc4C3)c(F)c2)CC1 ZINC001236941463 1313557982 /nfs/dbraw/zinc/55/79/82/1313557982.db2.gz BNHLDYYJHFDOKP-UHFFFAOYSA-N 1 0 329.419 2.729 20 10 EFCDRO CCN(CC)c1ccc(CN(CCCOC)[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC001236945568 1313558907 /nfs/dbraw/zinc/55/89/07/1313558907.db2.gz HKUOCTUEIHVRAE-LJQANCHMSA-N 1 0 349.519 2.742 20 10 EFCDRO Oc1cccc2c1C[N@H+](Cc1ccc(F)c(N3CCOCC3)c1)CC2 ZINC001236969709 1313563268 /nfs/dbraw/zinc/56/32/68/1313563268.db2.gz YJFJVEMJHIGCQV-UHFFFAOYSA-N 1 0 342.414 2.926 20 10 EFCDRO CCOC[C@H]1CN(Cc2ccc(OCC)cc2O)Cc2c1cnn2C ZINC001237049124 1313576083 /nfs/dbraw/zinc/57/60/83/1313576083.db2.gz DSZRMZLAXWKXLF-OAHLLOKOSA-N 1 0 345.443 2.660 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3cscn3)C2)cc1C ZINC000961628925 1298953723 /nfs/dbraw/zinc/95/37/23/1298953723.db2.gz WRUCRULTOVMBSR-UHFFFAOYSA-N 1 0 345.468 2.758 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)c(O)c1 ZINC001237040310 1313573208 /nfs/dbraw/zinc/57/32/08/1313573208.db2.gz GQNXALMDDDFEGF-CRAIPNDOSA-N 1 0 346.471 2.870 20 10 EFCDRO CCOc1ccc(C[N@H+](CCC(=O)OC)Cc2ccco2)c(O)c1 ZINC001237041153 1313574263 /nfs/dbraw/zinc/57/42/63/1313574263.db2.gz GRJVRABSIIVPFV-UHFFFAOYSA-N 1 0 333.384 2.949 20 10 EFCDRO CCOCc1ncn2c1C[N@H+](Cc1ccc(OCC)cc1O)CCC2 ZINC001237043938 1313574357 /nfs/dbraw/zinc/57/43/57/1313574357.db2.gz SRBCJPLWJYIKPK-UHFFFAOYSA-N 1 0 345.443 2.930 20 10 EFCDRO CC(C)c1ccc(C[N@@H+]2CCOC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001237045808 1313574815 /nfs/dbraw/zinc/57/48/15/1313574815.db2.gz LEEDEYLTWUEQJB-HNNXBMFYSA-N 1 0 333.350 2.641 20 10 EFCDRO CCOC[C@@H]1CN(Cc2ccc(OCC)cc2O)Cc2c1cnn2C ZINC001237049122 1313575864 /nfs/dbraw/zinc/57/58/64/1313575864.db2.gz DSZRMZLAXWKXLF-HNNXBMFYSA-N 1 0 345.443 2.660 20 10 EFCDRO CCOc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c(O)c1 ZINC001237049003 1313576033 /nfs/dbraw/zinc/57/60/33/1313576033.db2.gz BZMUKALCWNJHAC-QLPKVWCKSA-N 1 0 348.443 2.746 20 10 EFCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237063800 1313580205 /nfs/dbraw/zinc/58/02/05/1313580205.db2.gz UVKSIRYYWRSSQF-HNNXBMFYSA-N 1 0 347.333 2.718 20 10 EFCDRO COc1cc(O)c(CN(C)CCC[NH+](C)C)c(Br)c1 ZINC001237063525 1313580341 /nfs/dbraw/zinc/58/03/41/1313580341.db2.gz SUYYIVZSJTUEBS-UHFFFAOYSA-N 1 0 331.254 2.547 20 10 EFCDRO C[N@H+](Cc1cncnc1)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237063489 1313580347 /nfs/dbraw/zinc/58/03/47/1313580347.db2.gz RLKHXWKNRQNGJK-UHFFFAOYSA-N 1 0 327.306 2.755 20 10 EFCDRO CC[N@@H+]1CCN(Cc2c(O)cc(OC)cc2Br)[C@H](C)C1 ZINC001237067043 1313581473 /nfs/dbraw/zinc/58/14/73/1313581473.db2.gz FQMMUXLGGCGXTG-LLVKDONJSA-N 1 0 343.265 2.689 20 10 EFCDRO CC[N@@H+]1CCN(Cc2c(O)cc(OC)cc2Br)C[C@H]1C ZINC001237068452 1313581480 /nfs/dbraw/zinc/58/14/80/1313581480.db2.gz PRWXNFRBDTWFOW-LLVKDONJSA-N 1 0 343.265 2.689 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)C[C@H]2C)c(Br)c1 ZINC001237072797 1313581647 /nfs/dbraw/zinc/58/16/47/1313581647.db2.gz KEMNNVOJCMFXNC-NXEZZACHSA-N 1 0 330.222 2.509 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(Br)c1 ZINC001237070477 1313581704 /nfs/dbraw/zinc/58/17/04/1313581704.db2.gz NNASMWPWIVKURG-BMIGLBTASA-N 1 0 342.233 2.774 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c(Br)c1 ZINC001237071201 1313582219 /nfs/dbraw/zinc/58/22/19/1313582219.db2.gz SLUPJJMMKRHDCN-QWRGUYRKSA-N 1 0 342.233 2.632 20 10 EFCDRO CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237051244 1313576860 /nfs/dbraw/zinc/57/68/60/1313576860.db2.gz JAUCFNQZGUWXNU-GOSISDBHSA-N 1 0 348.487 2.975 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[NH+]1CC2(C1)CCCOC2 ZINC001237053181 1313576967 /nfs/dbraw/zinc/57/69/67/1313576967.db2.gz HHKRIEZRDYWRDP-UHFFFAOYSA-N 1 0 331.334 2.946 20 10 EFCDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3ccc(C(C)C)cc3O)C2)n1 ZINC001237052453 1313577218 /nfs/dbraw/zinc/57/72/18/1313577218.db2.gz ZSQKGISMWHDXNJ-MRXNPFEDSA-N 1 0 343.427 2.968 20 10 EFCDRO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237054027 1313577587 /nfs/dbraw/zinc/57/75/87/1313577587.db2.gz SVMGBJGROJCIAU-RYUDHWBXSA-N 1 0 333.350 2.926 20 10 EFCDRO C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1ccc(OCC(F)(F)F)cc1O)C2 ZINC001237056776 1313577663 /nfs/dbraw/zinc/57/76/63/1313577663.db2.gz BXGBMUORPNKGRW-CZUORRHYSA-N 1 0 344.377 2.717 20 10 EFCDRO OCC[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237055559 1313578220 /nfs/dbraw/zinc/57/82/20/1313578220.db2.gz FWVGJZISMUFJCI-LBPRGKRZSA-N 1 0 333.350 2.928 20 10 EFCDRO COc1cc(O)c(C[NH+]2CC3(C2)CCOCC3)c(Br)c1 ZINC001237058117 1313578742 /nfs/dbraw/zinc/57/87/42/1313578742.db2.gz COOJXLSONNCUIQ-UHFFFAOYSA-N 1 0 342.233 2.776 20 10 EFCDRO COc1cc(O)c(CN2CCC([NH+](C)C)CC2)c(Br)c1 ZINC001237061464 1313579540 /nfs/dbraw/zinc/57/95/40/1313579540.db2.gz GAXFPMLIFZYWTA-UHFFFAOYSA-N 1 0 343.265 2.689 20 10 EFCDRO Cc1noc([C@@H]2CC[N@H+](Cc3c(O)cccc3OC(F)(F)F)C2)n1 ZINC001237114936 1313588211 /nfs/dbraw/zinc/58/82/11/1313588211.db2.gz POHNOEZUDRZRNG-SNVBAGLBSA-N 1 0 343.305 2.972 20 10 EFCDRO Cc1cc(C)c(C[N@H+]2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)c(O)c1 ZINC001276365861 1299114027 /nfs/dbraw/zinc/11/40/27/1299114027.db2.gz VUBVPNYYYIPREC-DOTOQJQBSA-N 1 0 331.460 2.633 20 10 EFCDRO O=C1CCC2(CC[NH+](Cc3c(O)cccc3OC(F)(F)F)CC2)O1 ZINC001237122764 1313590576 /nfs/dbraw/zinc/59/05/76/1313590576.db2.gz LIBQJDQQWFDGTE-UHFFFAOYSA-N 1 0 345.317 2.962 20 10 EFCDRO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1c(O)cccc1OC(F)(F)F ZINC001237124051 1313591382 /nfs/dbraw/zinc/59/13/82/1313591382.db2.gz XHOBTEMYXNJINE-AAEUAGOBSA-N 1 0 330.350 2.817 20 10 EFCDRO CC[NH+]1C[C@@H]2CN(Cc3c(O)cccc3OC(F)(F)F)C[C@H]2C1 ZINC001237125618 1313591431 /nfs/dbraw/zinc/59/14/31/1313591431.db2.gz OLWNMMVVDOOMPK-VXGBXAGGSA-N 1 0 330.350 2.674 20 10 EFCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3c(O)ccc(F)c3Cl)CC[C@@H]21 ZINC001237129047 1313591628 /nfs/dbraw/zinc/59/16/28/1313591628.db2.gz UDZMPDRMLCBTAQ-MFKMUULPSA-N 1 0 326.799 2.627 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CC2)cc1 ZINC001096640627 1313594082 /nfs/dbraw/zinc/59/40/82/1313594082.db2.gz AEMKOFBBBSLUDM-PMPSAXMXSA-N 1 0 341.415 2.594 20 10 EFCDRO C[C@H]1CCC[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC001237204449 1313605263 /nfs/dbraw/zinc/60/52/63/1313605263.db2.gz AEPQVLXBSFAMDJ-INIZCTEOSA-N 1 0 336.501 2.543 20 10 EFCDRO CC[C@H]1CCC[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237209304 1313606307 /nfs/dbraw/zinc/60/63/07/1313606307.db2.gz HZTMULAUQHKKQZ-INIZCTEOSA-N 1 0 336.501 2.543 20 10 EFCDRO O=S1(=O)CCN(c2ccc(C[N@@H+]3CCC[C@H]4CCC[C@H]43)cc2)CC1 ZINC001237213719 1313607247 /nfs/dbraw/zinc/60/72/47/1313607247.db2.gz VSTQTYXSBGIVGJ-IEBWSBKVSA-N 1 0 348.512 2.686 20 10 EFCDRO C[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1ccccc1O ZINC000109769173 1299338401 /nfs/dbraw/zinc/33/84/01/1299338401.db2.gz ILGCGTBTVVQAPJ-UHFFFAOYSA-N 1 0 329.787 2.686 20 10 EFCDRO Oc1ccccc1C[N@H+](C[C@@H](O)c1ccccn1)C[C@@H]1CCCO1 ZINC000851840628 1299427414 /nfs/dbraw/zinc/42/74/14/1299427414.db2.gz JABWRYFVICGVJH-QFBILLFUSA-N 1 0 328.412 2.502 20 10 EFCDRO C[C@H]([NH2+]CC[C@@H]1COC(C)(C)O1)c1ccc(N2CCOCC2)cc1 ZINC000851897858 1299455291 /nfs/dbraw/zinc/45/52/91/1299455291.db2.gz RSQOSOGRKLPZNZ-MAUKXSAKSA-N 1 0 334.460 2.715 20 10 EFCDRO Oc1cc(C[NH+]2CCC3(Cc4ccccc4N3)CC2)cc(O)c1O ZINC001237346005 1313629115 /nfs/dbraw/zinc/62/91/15/1313629115.db2.gz OOTONPNQGDUPHL-UHFFFAOYSA-N 1 0 326.396 2.806 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)[C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)cc1 ZINC000852212128 1299598388 /nfs/dbraw/zinc/59/83/88/1299598388.db2.gz UYHZGJIXRQEETL-AYOQOUSVSA-N 1 0 345.487 2.511 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCSC)C2)cc1C ZINC001207213720 1313638265 /nfs/dbraw/zinc/63/82/65/1313638265.db2.gz PQPIKKSCNXZBTI-MRXNPFEDSA-N 1 0 336.501 2.837 20 10 EFCDRO Oc1cc(O)c(CN2CCCC3(C[NH+](C4CCCC4)C3)C2)cc1O ZINC001276516684 1313638390 /nfs/dbraw/zinc/63/83/90/1313638390.db2.gz MQTWQTFIUQPNTD-UHFFFAOYSA-N 1 0 332.444 2.644 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237414969 1313640684 /nfs/dbraw/zinc/64/06/84/1313640684.db2.gz NSARNFDYRPXPDH-IUODEOHRSA-N 1 0 344.377 2.907 20 10 EFCDRO CN1CCCc2cc(CNC(=O)N[C@H]3CC[N@@H+](C(C)(C)C)C3)ccc21 ZINC000852466798 1299715311 /nfs/dbraw/zinc/71/53/11/1299715311.db2.gz WBTKWUSQBDBNOL-KRWDZBQOSA-N 1 0 344.503 2.741 20 10 EFCDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1cc(Cl)ccc1O ZINC000852601678 1299778752 /nfs/dbraw/zinc/77/87/52/1299778752.db2.gz MAWSYJLSXFPWOQ-CYBMUJFWSA-N 1 0 339.867 2.965 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776606633 1299779199 /nfs/dbraw/zinc/77/91/99/1299779199.db2.gz YOIQJTRGCZFWBU-GTNSWQLSSA-N 1 0 332.356 2.693 20 10 EFCDRO COC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2ccc(C)cc2O)c1 ZINC001237444948 1313646151 /nfs/dbraw/zinc/64/61/51/1313646151.db2.gz UNBBUQYMMWQVPZ-GOSISDBHSA-N 1 0 340.423 2.634 20 10 EFCDRO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2ccc(C)cc2O)c1 ZINC001237444949 1313646298 /nfs/dbraw/zinc/64/62/98/1313646298.db2.gz UNBBUQYMMWQVPZ-SFHVURJKSA-N 1 0 340.423 2.634 20 10 EFCDRO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2c(C)cccc2O)c1 ZINC001237454263 1313648186 /nfs/dbraw/zinc/64/81/86/1313648186.db2.gz JEHVSXGNGHBCEK-SFHVURJKSA-N 1 0 340.423 2.634 20 10 EFCDRO COc1ccc(N2CCN(C(=O)C[NH2+]C3(CC(C)C)CC3)CC2)cc1 ZINC000852682794 1299810467 /nfs/dbraw/zinc/81/04/67/1299810467.db2.gz MWGLFSUGGVRKBC-UHFFFAOYSA-N 1 0 345.487 2.512 20 10 EFCDRO CC[C@@H]([NH2+]C)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000852812469 1299897949 /nfs/dbraw/zinc/89/79/49/1299897949.db2.gz XWHLSGFRVFIYST-GFCCVEGCSA-N 1 0 329.238 2.501 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H]2CN(c3ccsc3)C(=O)[C@H]2C1 ZINC001237488834 1313654911 /nfs/dbraw/zinc/65/49/11/1313654911.db2.gz RUTKSKWKUHXJGS-BBRMVZONSA-N 1 0 328.437 2.857 20 10 EFCDRO CCC[NH+](CCC)CCN1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC001237488007 1313655004 /nfs/dbraw/zinc/65/50/04/1313655004.db2.gz OQLYRXCMUNPSAH-UHFFFAOYSA-N 1 0 333.520 2.940 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@]2(CCN(CC3CC3)C2=O)C1 ZINC001237488537 1313655059 /nfs/dbraw/zinc/65/50/59/1313655059.db2.gz NEFYPLRZGRNLNT-FQEVSTJZSA-N 1 0 328.456 2.925 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001237486616 1313655166 /nfs/dbraw/zinc/65/51/66/1313655166.db2.gz STIPOYSJJIHMDQ-KPFFTGBYSA-N 1 0 340.423 2.906 20 10 EFCDRO Cc1cccc(O)c1CN1CCn2cc(CN3CCCCC3)nc2C1 ZINC001237487643 1313655397 /nfs/dbraw/zinc/65/53/97/1313655397.db2.gz CMEVVGZLNDBEIP-UHFFFAOYSA-N 1 0 340.471 2.899 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000853241710 1300063211 /nfs/dbraw/zinc/06/32/11/1300063211.db2.gz XEYISNNIACDFNW-ZBFHGGJFSA-N 1 0 346.471 2.951 20 10 EFCDRO C[C@H]1CCCC[C@H]1OCCNC(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235414 1300078736 /nfs/dbraw/zinc/07/87/36/1300078736.db2.gz SJHJXXRKQXXLNV-MAUKXSAKSA-N 1 0 334.460 2.536 20 10 EFCDRO C[N@H+](CCC(=O)NC(=O)Nc1ccccc1)Cc1ccccc1O ZINC000111235504 1300079099 /nfs/dbraw/zinc/07/90/99/1300079099.db2.gz XPNZUBJOMRTXSA-UHFFFAOYSA-N 1 0 327.384 2.562 20 10 EFCDRO C[N@H+](CC(=O)NCCOc1cccc(Cl)c1)Cc1ccccc1O ZINC000111235017 1300080088 /nfs/dbraw/zinc/08/00/88/1300080088.db2.gz IMSSINAWFMXFOM-UHFFFAOYSA-N 1 0 348.830 2.673 20 10 EFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000111509840 1300232157 /nfs/dbraw/zinc/23/21/57/1300232157.db2.gz ALIWOQBHOVXGCT-UONOGXRCSA-N 1 0 335.448 2.635 20 10 EFCDRO C[C@H]1C(=O)N(C)CCN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237645778 1313683204 /nfs/dbraw/zinc/68/32/04/1313683204.db2.gz LAAOKNKHZTVKNJ-ZDUSSCGKSA-N 1 0 328.387 2.861 20 10 EFCDRO COc1ccc(O)c(CNC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000853736717 1300251165 /nfs/dbraw/zinc/25/11/65/1300251165.db2.gz LJRNIOQUQWOGOW-HNNXBMFYSA-N 1 0 347.459 2.607 20 10 EFCDRO CN1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CCC1=O ZINC001237647105 1313685093 /nfs/dbraw/zinc/68/50/93/1313685093.db2.gz RITFNHSPSULWEY-UHFFFAOYSA-N 1 0 328.387 2.862 20 10 EFCDRO Cc1cc(O)c(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1Br ZINC001237680515 1313689903 /nfs/dbraw/zinc/68/99/03/1313689903.db2.gz JKKZPLCTKHFAAF-NWDGAFQWSA-N 1 0 327.266 2.988 20 10 EFCDRO Cc1cc(O)c(C[NH+]2CCC3(CC2)OCCO3)cc1Br ZINC001237679118 1313690280 /nfs/dbraw/zinc/69/02/80/1313690280.db2.gz FKJNKQUYYBZCON-UHFFFAOYSA-N 1 0 342.233 2.802 20 10 EFCDRO Cc1cc(O)c(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)cc1Br ZINC001237681876 1313691075 /nfs/dbraw/zinc/69/10/75/1313691075.db2.gz SXRWIXTULPWWEF-MFKMUULPSA-N 1 0 348.187 2.929 20 10 EFCDRO Cc1cc(O)c(C[N@H+]2CCC3(CN(C)C3)C2)cc1Br ZINC001237687118 1313691474 /nfs/dbraw/zinc/69/14/74/1313691474.db2.gz ZTFXJZHCTFBWOA-UHFFFAOYSA-N 1 0 325.250 2.601 20 10 EFCDRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(Br)c(C)cc2O)C1 ZINC001237686102 1313691492 /nfs/dbraw/zinc/69/14/92/1313691492.db2.gz TVSXXGQFBMHSRN-CYBMUJFWSA-N 1 0 341.249 2.516 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)c(O)c(OC)c1 ZINC001237684171 1313692052 /nfs/dbraw/zinc/69/20/52/1313692052.db2.gz NEQUXWSQFRYOBM-MRXNPFEDSA-N 1 0 344.411 2.848 20 10 EFCDRO Cc1cc(Cl)cc(C[NH+]2CCC(NC(=O)N(C)C)CC2)c1O ZINC001237690001 1313692454 /nfs/dbraw/zinc/69/24/54/1313692454.db2.gz TYHRZDZLZVDPBI-UHFFFAOYSA-N 1 0 325.840 2.590 20 10 EFCDRO COc1cc(C[N@H+](C)Cc2cnc3ccccn23)c(O)c(OC)c1 ZINC001237671156 1313688862 /nfs/dbraw/zinc/68/88/62/1313688862.db2.gz ZBWKGFGTCWWXSL-UHFFFAOYSA-N 1 0 327.384 2.689 20 10 EFCDRO CCO[C@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207473906 1313694158 /nfs/dbraw/zinc/69/41/58/1313694158.db2.gz XQOSIJGAKAOMNP-WBVHZDCISA-N 1 0 334.460 2.509 20 10 EFCDRO Cc1cc(C)cc(S(=O)(=O)Nc2cccc(N3CC[NH2+]CC3)c2)c1 ZINC001237747201 1313700664 /nfs/dbraw/zinc/70/06/64/1313700664.db2.gz ZEWYLIIEXBACFS-UHFFFAOYSA-N 1 0 345.468 2.514 20 10 EFCDRO CC1=CCC=C[C@H]1C(=O)N1CC2(C1)C[NH+](Cc1cccc(F)c1[O-])C2 ZINC001276538612 1313707442 /nfs/dbraw/zinc/70/74/42/1313707442.db2.gz XXODFOPCXQEHAN-MRXNPFEDSA-N 1 0 342.414 2.698 20 10 EFCDRO CC(C)NC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(F)c3[O-])C[C@H]2CC1 ZINC001276538663 1313707740 /nfs/dbraw/zinc/70/77/40/1313707740.db2.gz FHZOAEMTVAKRPO-GASCZTMLSA-N 1 0 349.450 2.793 20 10 EFCDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000245567254 1300661265 /nfs/dbraw/zinc/66/12/65/1300661265.db2.gz UGZADKZGWWWZDE-FUHIMQAGSA-N 1 0 331.504 2.826 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000245573340 1300662730 /nfs/dbraw/zinc/66/27/30/1300662730.db2.gz YXKIIVWMDOPTMW-JFIYKMOQSA-N 1 0 348.487 2.865 20 10 EFCDRO CC(C)N1CCC[C@H]([N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1=O ZINC000245705685 1300734240 /nfs/dbraw/zinc/73/42/40/1300734240.db2.gz YOGBXMGGHZIIMD-MSOLQXFVSA-N 1 0 346.471 2.773 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc(N3CCOCC3)n2)cc1 ZINC001237856448 1313721211 /nfs/dbraw/zinc/72/12/11/1313721211.db2.gz QNTKXRJENJJEGG-UHFFFAOYSA-N 1 0 340.471 2.616 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)COC(C)C)C2)cc1C ZINC001207591878 1313725585 /nfs/dbraw/zinc/72/55/85/1313725585.db2.gz KVKACZSCVMFGQT-QGZVFWFLSA-N 1 0 334.460 2.509 20 10 EFCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000776813040 1300969471 /nfs/dbraw/zinc/96/94/71/1300969471.db2.gz RMQPHSJDYIGNMG-VQTJNVASSA-N 1 0 348.487 2.587 20 10 EFCDRO CC[NH+](CC)CCN1CCN(Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237946249 1313734636 /nfs/dbraw/zinc/73/46/36/1313734636.db2.gz HSDAULBLJJNCNX-UHFFFAOYSA-N 1 0 343.874 2.644 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C[C@@H](C)OC)C2)cc1C ZINC001207652267 1313741451 /nfs/dbraw/zinc/74/14/51/1313741451.db2.gz ZDBIFYKVKXNBPV-WBVHZDCISA-N 1 0 334.460 2.509 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000855809536 1301126331 /nfs/dbraw/zinc/12/63/31/1301126331.db2.gz HGFHYWIGPOTMNZ-HEWZJLJBSA-N 1 0 330.428 2.634 20 10 EFCDRO O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000855809539 1301126547 /nfs/dbraw/zinc/12/65/47/1301126547.db2.gz HGFHYWIGPOTMNZ-VIHMKRCTSA-N 1 0 330.428 2.634 20 10 EFCDRO CCOCCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207667338 1313745210 /nfs/dbraw/zinc/74/52/10/1313745210.db2.gz FPARLWVQOCYGKC-QGZVFWFLSA-N 1 0 334.460 2.511 20 10 EFCDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000776869662 1301203837 /nfs/dbraw/zinc/20/38/37/1301203837.db2.gz XPEJSOUYKFNXIO-BOUXLOLZSA-N 1 0 349.471 2.742 20 10 EFCDRO CC[C@H]([NH2+][C@H]1CCOC[C@@H]1OCCOC)c1ccc(N(C)C)cc1 ZINC000776866711 1301204518 /nfs/dbraw/zinc/20/45/18/1301204518.db2.gz HWHKERPHSJXQNO-FHWLQOOXSA-N 1 0 336.476 2.614 20 10 EFCDRO Cc1cc(C(=O)CN2CC[C@H](n3cncn3)C2)c(C)n1-c1ccccc1 ZINC000776874297 1301215988 /nfs/dbraw/zinc/21/59/88/1301215988.db2.gz PSRIIXDYKNTPSD-SFHVURJKSA-N 1 0 349.438 2.815 20 10 EFCDRO CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238061993 1313753213 /nfs/dbraw/zinc/75/32/13/1313753213.db2.gz SBEBXOAYGQYXIY-AWEZNQCLSA-N 1 0 333.407 2.705 20 10 EFCDRO Cc1cc(F)cc(C[N@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c1O ZINC001238062030 1313753280 /nfs/dbraw/zinc/75/32/80/1313753280.db2.gz SMAVLXMWTKVREO-GASCZTMLSA-N 1 0 347.459 2.860 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)c1O ZINC001238060404 1313753348 /nfs/dbraw/zinc/75/33/48/1313753348.db2.gz HURFCQVRCIUPTO-BBRMVZONSA-N 1 0 346.427 2.996 20 10 EFCDRO Cc1cc(F)cc(C[N@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)c1O ZINC001238063910 1313754057 /nfs/dbraw/zinc/75/40/57/1313754057.db2.gz MSBZDDJLVSVGAG-HDICACEKSA-N 1 0 341.430 2.799 20 10 EFCDRO Cc1cc(F)cc(C[NH+]2CCC(Oc3ncncc3C)CC2)c1O ZINC001238069346 1313754919 /nfs/dbraw/zinc/75/49/19/1313754919.db2.gz YGRMRJRNQCNLFG-UHFFFAOYSA-N 1 0 331.391 2.982 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000859365196 1301444455 /nfs/dbraw/zinc/44/44/55/1301444455.db2.gz TZXWPJMJHZYIRI-AWEZNQCLSA-N 1 0 341.455 2.977 20 10 EFCDRO C[NH2+]CCCNS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238138603 1313768447 /nfs/dbraw/zinc/76/84/47/1313768447.db2.gz BELAWQLYFKMGNJ-FMQUCBEESA-N 1 0 332.429 2.990 20 10 EFCDRO Cc1ccc(O)c(CNC(=O)Nc2cccc(OCC[NH+](C)C)c2)c1 ZINC000860460366 1301813919 /nfs/dbraw/zinc/81/39/19/1301813919.db2.gz UBIXCCBKGSLHLM-UHFFFAOYSA-N 1 0 343.427 2.963 20 10 EFCDRO CN1CCO[C@]2(CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC001276551078 1313808600 /nfs/dbraw/zinc/80/86/00/1313808600.db2.gz AGWSIYNZKQMBKO-OAQYLSRUSA-N 1 0 343.515 2.974 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1C ZINC000796470345 1302049328 /nfs/dbraw/zinc/04/93/28/1302049328.db2.gz URBKLGZBTGREKT-QGZVFWFLSA-N 1 0 331.460 2.773 20 10 EFCDRO CCOC(=O)C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862212432 1302307772 /nfs/dbraw/zinc/30/77/72/1302307772.db2.gz RQXBLHNSBVXRJQ-UHFFFAOYSA-N 1 0 342.233 2.930 20 10 EFCDRO COCCO[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862357092 1302344459 /nfs/dbraw/zinc/34/44/59/1302344459.db2.gz TVOKTCBVPJXWBN-LBPRGKRZSA-N 1 0 344.249 2.782 20 10 EFCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862394581 1302366515 /nfs/dbraw/zinc/36/65/15/1302366515.db2.gz LMBVNRDHQQABRD-OAHLLOKOSA-N 1 0 342.233 2.930 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cnc4ccccc4n3)cc2)CC1 ZINC000862418904 1302375884 /nfs/dbraw/zinc/37/58/84/1302375884.db2.gz SGTHSFAFSYUCIP-UHFFFAOYSA-N 1 0 348.450 2.881 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cnc(C4CC4)o3)cc2)CC1 ZINC000862419296 1302376173 /nfs/dbraw/zinc/37/61/73/1302376173.db2.gz XTHXDORYCZFRMQ-UHFFFAOYSA-N 1 0 327.428 2.803 20 10 EFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C[C@@H]1C ZINC000862418824 1302377207 /nfs/dbraw/zinc/37/72/07/1302377207.db2.gz LXKBXGUSKSSZRB-WDEREUQCSA-N 1 0 342.233 2.786 20 10 EFCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)c1 ZINC000862478643 1302394392 /nfs/dbraw/zinc/39/43/92/1302394392.db2.gz KSKRESRPFZEHBA-AWEZNQCLSA-N 1 0 338.407 2.865 20 10 EFCDRO Cc1noc(NC(=O)[C@H]2CC23C[NH+](Cc2cc(F)ccc2O)C3)c1C ZINC001278248826 1313838547 /nfs/dbraw/zinc/83/85/47/1313838547.db2.gz QRHYXYJQNVHFAF-CQSZACIVSA-N 1 0 345.374 2.597 20 10 EFCDRO O=C(N1CCCC12CC2)[C@@]12C[C@@H]1CC[N@H+]2Cc1cc(F)ccc1O ZINC001278254748 1313844213 /nfs/dbraw/zinc/84/42/13/1313844213.db2.gz GKFQEKUZTONVCL-IFXJQAMLSA-N 1 0 330.403 2.651 20 10 EFCDRO CC(C)(C)NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC001278255266 1313844486 /nfs/dbraw/zinc/84/44/86/1313844486.db2.gz RIESBLYRDMXPMJ-FVCICTRLSA-N 1 0 334.435 2.904 20 10 EFCDRO CC(C)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)C1=O ZINC000748270930 1313844543 /nfs/dbraw/zinc/84/45/43/1313844543.db2.gz ZYIUZDFLMPBFNQ-QFBILLFUSA-N 1 0 345.487 2.573 20 10 EFCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)Cc2ccccc21 ZINC000863334334 1302590650 /nfs/dbraw/zinc/59/06/50/1302590650.db2.gz ZRKYNWIAXBBUJO-KRWDZBQOSA-N 1 0 341.407 2.982 20 10 EFCDRO C[C@@H](C[NH3+])CNS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238708997 1313856487 /nfs/dbraw/zinc/85/64/87/1313856487.db2.gz XKDGGEUMSNNRRR-XEXOPBTESA-N 1 0 332.429 2.975 20 10 EFCDRO CCOc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(O)c1 ZINC000863646981 1302667903 /nfs/dbraw/zinc/66/79/03/1302667903.db2.gz UBSIKWSTQRWKDJ-TZMCWYRMSA-N 1 0 332.366 2.750 20 10 EFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H]2COCCN2)cc1 ZINC000863650018 1302669137 /nfs/dbraw/zinc/66/91/37/1302669137.db2.gz MOPFUXAWPXJUCS-FQEVSTJZSA-N 1 0 339.483 2.791 20 10 EFCDRO C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)(C)C[NH+](C)C ZINC000119628670 1302709180 /nfs/dbraw/zinc/70/91/80/1302709180.db2.gz FSWKJPYGWQJIKV-OAHLLOKOSA-N 1 0 334.508 2.870 20 10 EFCDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)CCO2 ZINC000794662849 1302885574 /nfs/dbraw/zinc/88/55/74/1302885574.db2.gz PGPXUTGBDANHDR-DJJJIMSYSA-N 1 0 335.444 2.775 20 10 EFCDRO CC[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(C)cc1O ZINC000794796903 1303076151 /nfs/dbraw/zinc/07/61/51/1303076151.db2.gz YATPNHBRLMCYFM-KRWDZBQOSA-N 1 0 348.468 2.631 20 10 EFCDRO C[C@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)CC1(C)OCCO1 ZINC000865673117 1303360666 /nfs/dbraw/zinc/36/06/66/1303360666.db2.gz STMVREBRRYOPKX-LBPRGKRZSA-N 1 0 328.403 2.910 20 10 EFCDRO CC[NH+](CC)CCn1cc(-c2ccn(CC(F)(F)F)c(=O)c2)cn1 ZINC001239216431 1313914922 /nfs/dbraw/zinc/91/49/22/1313914922.db2.gz NJAQBKPCILLPIN-UHFFFAOYSA-N 1 0 342.365 2.616 20 10 EFCDRO O=C(NCc1ccc(N2CC[NH2+]CC2)cc1)NC1CCCCCC1 ZINC001239222331 1313916056 /nfs/dbraw/zinc/91/60/56/1313916056.db2.gz DWQMHKFIILURLM-UHFFFAOYSA-N 1 0 330.476 2.618 20 10 EFCDRO CCC[C@@H]1CCC[N@H+](Cc2cc(=O)n3ncc(C(=O)OCC)c3[nH]2)C1 ZINC000120952514 1303553634 /nfs/dbraw/zinc/55/36/34/1303553634.db2.gz IVDQQLFWADDQGB-CYBMUJFWSA-N 1 0 346.431 2.624 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3cccs3)C2)cc1C ZINC000966266702 1303794537 /nfs/dbraw/zinc/79/45/37/1303794537.db2.gz QAFBEHQWBSZULG-MRXNPFEDSA-N 1 0 344.480 2.998 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC[C@H]3CCCO3)C2)cc1C ZINC001018552756 1313939658 /nfs/dbraw/zinc/93/96/58/1313939658.db2.gz MMICCJMCJXZDMH-ZWKOTPCHSA-N 1 0 346.471 2.653 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)COC3CCCC3)C2)cc1C ZINC001018564907 1313944227 /nfs/dbraw/zinc/94/42/27/1313944227.db2.gz LWXUXSWAXOKQIL-KRWDZBQOSA-N 1 0 346.471 2.653 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@](C)([NH3+])C3)c2C)cc1 ZINC000868073462 1304110483 /nfs/dbraw/zinc/11/04/83/1304110483.db2.gz NJZQCVACENUDIF-IBGZPJMESA-N 1 0 327.428 2.666 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[C@H]3CCCO3)C2)cc1C ZINC000967289156 1304808447 /nfs/dbraw/zinc/80/84/47/1304808447.db2.gz MMICCJMCJXZDMH-QZTJIDSGSA-N 1 0 346.471 2.653 20 10 EFCDRO CC[C@H](CCC(=O)OC)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001208780863 1314014769 /nfs/dbraw/zinc/01/47/69/1314014769.db2.gz UPTVQUPUJZHYMR-MRXNPFEDSA-N 1 0 334.460 2.797 20 10 EFCDRO CCC[C@H](OC)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001208943028 1314053900 /nfs/dbraw/zinc/05/39/00/1314053900.db2.gz NECKWGUAQLUINC-HKUYNNGSSA-N 1 0 348.487 2.899 20 10 EFCDRO CCOC(C)(C)C[NH+]1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001209076598 1314085479 /nfs/dbraw/zinc/08/54/79/1314085479.db2.gz PZCYGBXPKZJIKI-UHFFFAOYSA-N 1 0 336.476 2.649 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ncccc3C)C2)cc1C ZINC000968354632 1306176230 /nfs/dbraw/zinc/17/62/30/1306176230.db2.gz FCPQKAJNYKYJIK-QGZVFWFLSA-N 1 0 339.439 2.711 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(F)cn3)C2)cc1C ZINC000968478347 1306377034 /nfs/dbraw/zinc/37/70/34/1306377034.db2.gz QSMILSVWIXDZBI-MRXNPFEDSA-N 1 0 343.402 2.542 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3coc(C)c3)C2)cc1C ZINC000968506304 1306411381 /nfs/dbraw/zinc/41/13/81/1306411381.db2.gz NNSBWIVFNCVCRT-QGZVFWFLSA-N 1 0 328.412 2.909 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3c(C)ccn3C)C2)cc1C ZINC000968510892 1306417521 /nfs/dbraw/zinc/41/75/21/1306417521.db2.gz CSVXDKCFMNPDHF-QGZVFWFLSA-N 1 0 341.455 2.655 20 10 EFCDRO CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1C[NH+](CC2CCCC2)C1 ZINC001044354410 1306450148 /nfs/dbraw/zinc/45/01/48/1306450148.db2.gz FHHDPDWUTWJZLG-UHFFFAOYSA-N 1 0 343.431 2.795 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3(C4CC4)CC3)C2)cc1C ZINC001019011054 1314130887 /nfs/dbraw/zinc/13/08/87/1314130887.db2.gz VSEITCIVYCDFDJ-KRWDZBQOSA-N 1 0 328.456 2.884 20 10 EFCDRO C[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000968684319 1306565417 /nfs/dbraw/zinc/56/54/17/1306565417.db2.gz AAILLIHUACAPGF-WBMJQRKESA-N 1 0 343.431 2.699 20 10 EFCDRO CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968684997 1306565660 /nfs/dbraw/zinc/56/56/60/1306565660.db2.gz LNFJNLKZIJEEMS-IUODEOHRSA-N 1 0 331.420 2.699 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3C=CC=CC=C3)C2)cc1C ZINC000968820298 1306696846 /nfs/dbraw/zinc/69/68/46/1306696846.db2.gz LTSVZKHYUCUWFT-LJQANCHMSA-N 1 0 338.451 2.993 20 10 EFCDRO COC(=O)c1cc2ccc(-c3cnn(C4CC[NH2+]CC4)c3)cc2n1C ZINC001241775926 1314148994 /nfs/dbraw/zinc/14/89/94/1314148994.db2.gz GPUJHFRBHJCDKG-UHFFFAOYSA-N 1 0 338.411 2.753 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3ccccc3)C2)cc1C ZINC001019052959 1314152121 /nfs/dbraw/zinc/15/21/21/1314152121.db2.gz WOJGGUAAQDTCLK-IBGZPJMESA-N 1 0 338.451 2.937 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2ccns2)cc1C ZINC001045056837 1307024049 /nfs/dbraw/zinc/02/40/49/1307024049.db2.gz ZCGCIBZKLFRXNT-HNNXBMFYSA-N 1 0 345.468 2.855 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2conc2C)cc1C ZINC001045180417 1307115596 /nfs/dbraw/zinc/11/55/96/1307115596.db2.gz XEHMKKHYHUBUOQ-INIZCTEOSA-N 1 0 343.427 2.694 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2oncc2C)cc1C ZINC001045261144 1307182470 /nfs/dbraw/zinc/18/24/70/1307182470.db2.gz DQSHPBHOKZZXCH-INIZCTEOSA-N 1 0 343.427 2.694 20 10 EFCDRO COCC[NH+]1CCN(Cc2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC001209516968 1314178600 /nfs/dbraw/zinc/17/86/00/1314178600.db2.gz UZKMCKQAMSAYOV-UHFFFAOYSA-N 1 0 327.472 2.858 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)cc1 ZINC001209516819 1314178717 /nfs/dbraw/zinc/17/87/17/1314178717.db2.gz PRKWZUZFUPTNKL-UXHICEINSA-N 1 0 328.456 2.659 20 10 EFCDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001209520146 1314179087 /nfs/dbraw/zinc/17/90/87/1314179087.db2.gz OPXBAWRTOJRFHH-SFHVURJKSA-N 1 0 340.471 2.988 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(CN2CC(N3CC[NH+](C)CC3)C2)cc1 ZINC001209520226 1314179351 /nfs/dbraw/zinc/17/93/51/1314179351.db2.gz RHMTVEPSCASRFS-UHFFFAOYSA-N 1 0 338.499 2.526 20 10 EFCDRO COc1cc(C(=O)N[C@H]2CCC[N@H+](CCC(C)(C)C)C2)cc(OC)n1 ZINC001007792020 1307605239 /nfs/dbraw/zinc/60/52/39/1307605239.db2.gz MSVVZVHOKXCXLO-HNNXBMFYSA-N 1 0 349.475 2.729 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2ccnc(N3CC[NH2+]CC3)c2)cn1 ZINC001242395737 1314204446 /nfs/dbraw/zinc/20/44/46/1314204446.db2.gz XEOVMVKAYZFFCB-UHFFFAOYSA-N 1 0 333.439 2.961 20 10 EFCDRO CC[N@H+](CCOCCO)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000800531516 1308060135 /nfs/dbraw/zinc/06/01/35/1308060135.db2.gz GGSHFAGWXZROQJ-UHFFFAOYSA-N 1 0 334.382 2.602 20 10 EFCDRO O=C(/C=C\c1ccccc1)NCCC[NH2+]Cc1cc(F)ccc1O ZINC000800544546 1308100212 /nfs/dbraw/zinc/10/02/12/1308100212.db2.gz LLDQIPRMEDSZHR-YFHOEESVSA-N 1 0 328.387 2.841 20 10 EFCDRO Cc1ccc(C)c(C[NH+]2CC3(C[C@H]3C(=O)N3CCCC34CC4)C2)c1O ZINC001278357148 1314254524 /nfs/dbraw/zinc/25/45/24/1314254524.db2.gz FWNUBEIIXZOWFI-KRWDZBQOSA-N 1 0 340.467 2.986 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCC[N@H+](CC3CCC3)C2)cc1 ZINC001009672594 1308604766 /nfs/dbraw/zinc/60/47/66/1308604766.db2.gz MHSSOUIEWUZGKH-INIZCTEOSA-N 1 0 343.431 2.843 20 10 EFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)cc2)C1 ZINC000800968044 1308758449 /nfs/dbraw/zinc/75/84/49/1308758449.db2.gz DRZXZSCZTAHEQU-RNIPGJKVSA-N 1 0 327.472 2.667 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC(C)(F)F)C2)cc1C ZINC001019340698 1314282310 /nfs/dbraw/zinc/28/23/10/1314282310.db2.gz BUXBSXFDNGNLTA-AWEZNQCLSA-N 1 0 326.387 2.739 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccn(C)c3C)C2)cc1C ZINC001019347913 1314286691 /nfs/dbraw/zinc/28/66/91/1314286691.db2.gz SRZAGWNFVLJQBO-KRWDZBQOSA-N 1 0 341.455 2.655 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000901051376 1309301553 /nfs/dbraw/zinc/30/15/53/1309301553.db2.gz CKCXWOATZOQURS-UHFFFAOYSA-N 1 0 347.503 2.547 20 10 EFCDRO C[C@@]1(NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@H+](CCC2CC2)C1 ZINC001046862139 1309550929 /nfs/dbraw/zinc/55/09/29/1309550929.db2.gz GGRZELGNZHIHRG-GOSISDBHSA-N 1 0 343.431 2.843 20 10 EFCDRO Oc1cc(O)c(CN2CC[NH2+][C@@H](Cc3ccccc3)C2)cc1Cl ZINC001210356195 1314318303 /nfs/dbraw/zinc/31/83/03/1314318303.db2.gz MGCRHJSYQLQEIF-HNNXBMFYSA-N 1 0 332.831 2.768 20 10 EFCDRO COC[C@@H](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001210417237 1314330594 /nfs/dbraw/zinc/33/05/94/1314330594.db2.gz OJONFZZLTSYFPH-MAUKXSAKSA-N 1 0 348.487 2.757 20 10 EFCDRO COC[C@@H]1C[NH2+]CCN1Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001210546320 1314349963 /nfs/dbraw/zinc/34/99/63/1314349963.db2.gz WZJLXXUVMJVFSQ-ZDUSSCGKSA-N 1 0 326.868 2.763 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)cc1C ZINC001019492121 1314367492 /nfs/dbraw/zinc/36/74/92/1314367492.db2.gz ADPDJJVJOOYJLX-OKZBNKHCSA-N 1 0 328.456 2.740 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccnc(C)c3)C2)cc1C ZINC001019542081 1314380218 /nfs/dbraw/zinc/38/02/18/1314380218.db2.gz URRNLHWZCQHQEK-SFHVURJKSA-N 1 0 339.439 2.711 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@]3(C)CCCOC3)C2)cc1C ZINC001019574878 1314388591 /nfs/dbraw/zinc/38/85/91/1314388591.db2.gz XIWQZHVBVASJMO-FXAWDEMLSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)C(F)F)C2)cc1C ZINC001047663258 1311052851 /nfs/dbraw/zinc/05/28/51/1311052851.db2.gz JQHRFNVSFFGAKA-OCCSQVGLSA-N 1 0 326.387 2.595 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CSC)C2)cc1C ZINC001047703381 1311094328 /nfs/dbraw/zinc/09/43/28/1311094328.db2.gz OWRUTZMUYXRFBB-HOCLYGCPSA-N 1 0 336.501 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CSC)C2)cc1C ZINC001047703379 1311094655 /nfs/dbraw/zinc/09/46/55/1311094655.db2.gz OWRUTZMUYXRFBB-GOEBONIOSA-N 1 0 336.501 2.693 20 10 EFCDRO Oc1cc(CN2CCC[C@]23CCC[NH2+]C3)c(O)cc1Br ZINC001222252445 1311105615 /nfs/dbraw/zinc/10/56/15/1311105615.db2.gz DLKWNPMXPACJSV-HNNXBMFYSA-N 1 0 341.249 2.578 20 10 EFCDRO Oc1cc(CN2CCC[C@@]23CCC[NH2+]C3)c(O)cc1Br ZINC001222252446 1311105685 /nfs/dbraw/zinc/10/56/85/1311105685.db2.gz DLKWNPMXPACJSV-OAHLLOKOSA-N 1 0 341.249 2.578 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222360180 1311118811 /nfs/dbraw/zinc/11/88/11/1311118811.db2.gz IURYJPLDTALAAL-LJQANCHMSA-N 1 0 349.906 2.895 20 10 EFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]CC3CCCCC3)cc2)CC1 ZINC000752085261 1311143926 /nfs/dbraw/zinc/14/39/26/1311143926.db2.gz OAJWDHJRXSIWJC-UHFFFAOYSA-N 1 0 336.501 2.591 20 10 EFCDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000752151550 1311148360 /nfs/dbraw/zinc/14/83/60/1311148360.db2.gz JTJPEBIABBUAMI-JZXOWHBKSA-N 1 0 346.471 2.773 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)c3cocn3)C2)cc1C ZINC001047761429 1311151780 /nfs/dbraw/zinc/15/17/80/1311151780.db2.gz KOOAHLJSWPKYKD-GOEBONIOSA-N 1 0 343.427 2.632 20 10 EFCDRO Cc1cc(Br)cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3C)c1O ZINC001276861200 1311214472 /nfs/dbraw/zinc/21/44/72/1311214472.db2.gz OCFXAIXTEOVZKQ-KBPBESRZSA-N 1 0 325.250 2.742 20 10 EFCDRO C[C@]1(CNC(=O)c2cccc(O)c2O)CC[N@H+](Cc2ccccc2)C1 ZINC000381200846 1311308415 /nfs/dbraw/zinc/30/84/15/1311308415.db2.gz OZLPGHOVBXHTRX-HXUWFJFHSA-N 1 0 340.423 2.740 20 10 EFCDRO CCOc1ccc(N2CCC3(CC[N@H+](COCCOC)C3)CC2)cc1 ZINC001276925784 1311310954 /nfs/dbraw/zinc/31/09/54/1311310954.db2.gz JIIJBRUMOINILL-UHFFFAOYSA-N 1 0 348.487 2.998 20 10 EFCDRO CCOc1ccc(N2C[C@@H]3CC[N@@H+](COCCOC)CC[C@@H]3C2)cc1 ZINC001276926319 1311312206 /nfs/dbraw/zinc/31/22/06/1311312206.db2.gz QSGRUNKUVKFXAV-HDICACEKSA-N 1 0 348.487 2.854 20 10 EFCDRO Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N(C)C)ccc1N(C)C ZINC001276929315 1311316938 /nfs/dbraw/zinc/31/69/38/1311316938.db2.gz SRYHTYHUDWJBSQ-IZZQQSIFSA-N 1 0 329.488 2.607 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N2CC=CC2)cc1 ZINC001276958019 1311363210 /nfs/dbraw/zinc/36/32/10/1311363210.db2.gz CBEIUMBAWBOWBY-LCLWPZTBSA-N 1 0 339.483 2.655 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N2CC=CC2)cc1 ZINC001276959030 1311367166 /nfs/dbraw/zinc/36/71/66/1311367166.db2.gz YWOQSQNMWGEUSG-OPVJXMOQSA-N 1 0 339.483 2.609 20 10 EFCDRO CCN(CC)c1ccc(CN2CCc3nc(C(N)=O)ccc3C2)cc1 ZINC001276958980 1311367335 /nfs/dbraw/zinc/36/73/35/1311367335.db2.gz XNOPTLYBUDHLJY-UHFFFAOYSA-N 1 0 338.455 2.585 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CC=CC3)C2)cc1 ZINC001276966936 1311380591 /nfs/dbraw/zinc/38/05/91/1311380591.db2.gz JYDHRPDCECTOIS-WIYYLYMNSA-N 1 0 339.483 2.753 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cc(C)nc(C)c2)cc1C ZINC001158937053 1311420242 /nfs/dbraw/zinc/42/02/42/1311420242.db2.gz OCILSPCKQIPOCF-UHFFFAOYSA-N 1 0 341.455 2.925 20 10 EFCDRO COc1ccc(N2CCC[C@]3(CC[N@H+](CCN(C)C)C3)C2)c(OC)c1 ZINC001276994190 1311430197 /nfs/dbraw/zinc/43/01/97/1311430197.db2.gz LLENWEOSKGUTAZ-HXUWFJFHSA-N 1 0 347.503 2.558 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)C2C=CC=CC=C2)cc1C ZINC001159003211 1311432254 /nfs/dbraw/zinc/43/22/54/1311432254.db2.gz CCLXVSGVZUJLOI-UHFFFAOYSA-N 1 0 326.440 2.898 20 10 EFCDRO COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1ccc(OC)c(F)c1 ZINC001277009655 1311456408 /nfs/dbraw/zinc/45/64/08/1311456408.db2.gz LMRGOWWZOUOVQN-GOOCMWNKSA-N 1 0 338.423 2.544 20 10 EFCDRO COc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccc(=O)[nH]2)cc1F ZINC001277009591 1311456801 /nfs/dbraw/zinc/45/68/01/1311456801.db2.gz KLHARGUMBWLMLG-IRXDYDNUSA-N 1 0 343.402 2.788 20 10 EFCDRO CC[C@@H]1CC[C@H](C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)O1 ZINC001159178274 1311468018 /nfs/dbraw/zinc/46/80/18/1311468018.db2.gz CIXZOLGJMYOXJU-SJLPKXTDSA-N 1 0 334.460 2.557 20 10 EFCDRO c1c[nH]c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2ccc3c(c2)OCCO3)c1 ZINC001277013789 1311469866 /nfs/dbraw/zinc/46/98/66/1311469866.db2.gz HLBHOGMADAJOJJ-IRXDYDNUSA-N 1 0 325.412 2.639 20 10 EFCDRO c1c[nH]c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2ccc3c(c2)OCCO3)c1 ZINC001277013780 1311469952 /nfs/dbraw/zinc/46/99/52/1311469952.db2.gz GXDGXWXMPODXRR-CALCHBBNSA-N 1 0 325.412 2.639 20 10 EFCDRO COCCOC[N@H+]1CC[C@H]2CN(c3ccc(OC)cc3C)C[C@H]2CC1 ZINC001277018286 1311473798 /nfs/dbraw/zinc/47/37/98/1311473798.db2.gz GCGCJTYNNYOGDA-HDICACEKSA-N 1 0 348.487 2.772 20 10 EFCDRO COc1ccc(N2C[C@@H]3CC[N@@H+](CCN(C)C)CC[C@@H]3C2)c(C)c1 ZINC001277021557 1311483252 /nfs/dbraw/zinc/48/32/52/1311483252.db2.gz CEHWLUXALCSMHT-HDICACEKSA-N 1 0 331.504 2.713 20 10 EFCDRO COc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cc(C)nn2C)c(C)c1 ZINC001277022020 1311484872 /nfs/dbraw/zinc/48/48/72/1311484872.db2.gz IBRJIRWCQJRVTK-PMACEKPBSA-N 1 0 340.471 2.899 20 10 EFCDRO COc1ccc(N2CCCC3(C[NH+](CCn4ccnc4)C3)C2)c(C)c1 ZINC001277022887 1311487039 /nfs/dbraw/zinc/48/70/39/1311487039.db2.gz VHPUWYJMXOHQEA-UHFFFAOYSA-N 1 0 340.471 2.803 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)c3ccc[nH]3)C[C@H]2C)cc1C ZINC001048146973 1311509202 /nfs/dbraw/zinc/50/92/02/1311509202.db2.gz YGNWLTODCLQHGO-WBVHZDCISA-N 1 0 341.455 2.830 20 10 EFCDRO COC[C@@H](C)[C@@H](C)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001159657333 1311559900 /nfs/dbraw/zinc/55/99/00/1311559900.db2.gz BESGJNFVYVJEBQ-HZPDHXFCSA-N 1 0 336.476 2.518 20 10 EFCDRO Cc1cc(CN2CC3(C2)CC[N@@H+](C)C3)c(O)cc1Br ZINC001277144243 1311702706 /nfs/dbraw/zinc/70/27/06/1311702706.db2.gz QDZNNUITCHIOFG-UHFFFAOYSA-N 1 0 325.250 2.601 20 10 EFCDRO [NH3+][C@H](c1ccccc1O)[C@H](Nc1ccc(F)nn1)c1ccccc1O ZINC001160619089 1311747513 /nfs/dbraw/zinc/74/75/13/1311747513.db2.gz QLGYFIBQALCKIY-QZTJIDSGSA-N 1 0 340.358 2.880 20 10 EFCDRO CCc1cc(NCc2cccc(C)c2O)nc(N2CCOCC2)[nH+]1 ZINC001160769204 1311777419 /nfs/dbraw/zinc/77/74/19/1311777419.db2.gz AYNMXCZQGMDKRD-UHFFFAOYSA-N 1 0 328.416 2.502 20 10 EFCDRO NC(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001277208926 1311806587 /nfs/dbraw/zinc/80/65/87/1311806587.db2.gz AGAWOZBMMOUXTN-ICSRJNTNSA-N 1 0 327.472 2.764 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](Cc1ccccc1)[NH2+]C ZINC001161134709 1311867304 /nfs/dbraw/zinc/86/73/04/1311867304.db2.gz JRKRSDHYGTWJQP-HXUWFJFHSA-N 1 0 339.483 2.932 20 10 EFCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@H]4C[C@@]43C(=O)NC(C)(C)C)ccc21 ZINC001277253407 1311875025 /nfs/dbraw/zinc/87/50/25/1311875025.db2.gz CQFWZUBJJKOCOM-UTKZUKDTSA-N 1 0 341.499 2.948 20 10 EFCDRO CN1CCCc2cc(C[NH+]3CCC4(CC[C@@H](C(N)=O)C4)CC3)ccc21 ZINC001277254052 1311875513 /nfs/dbraw/zinc/87/55/13/1311875513.db2.gz NIGNORHFEGCOMK-GOSISDBHSA-N 1 0 341.499 2.937 20 10 EFCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@]4(CCC[C@@H]4C(N)=O)C3)ccc21 ZINC001277253787 1311875756 /nfs/dbraw/zinc/87/57/56/1311875756.db2.gz JOPVTQAHYHOTFN-XLIONFOSSA-N 1 0 327.472 2.547 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000802658528 1311892951 /nfs/dbraw/zinc/89/29/51/1311892951.db2.gz ABGMNCPRLUGJMR-INIZCTEOSA-N 1 0 341.411 2.797 20 10 EFCDRO [NH3+]CCN(c1cc2c(cn1)C(=O)NCC2)c1cccc2ccccc21 ZINC001162008887 1312028254 /nfs/dbraw/zinc/02/82/54/1312028254.db2.gz MFACIBDQRSPACM-UHFFFAOYSA-N 1 0 332.407 2.618 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@@H]2CC(C)(C)CO2)cc1C ZINC001162352040 1312092885 /nfs/dbraw/zinc/09/28/85/1312092885.db2.gz KSQPJBGBHUTWGM-QGZVFWFLSA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H](C)CC(F)F)cc1C ZINC001162719888 1312159715 /nfs/dbraw/zinc/15/97/15/1312159715.db2.gz OWVNUNQKEKDRCF-CYBMUJFWSA-N 1 0 328.403 2.891 20 10 EFCDRO O=C(NCC(F)F)[C@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001277442242 1312178262 /nfs/dbraw/zinc/17/82/62/1312178262.db2.gz UVZAFNQURLHCSW-KDOFPFPSSA-N 1 0 338.398 2.766 20 10 EFCDRO O=C([C@@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1O)C2)N1CCCCO1 ZINC001277445886 1312188759 /nfs/dbraw/zinc/18/87/59/1312188759.db2.gz KLFYSXFYWPSKPR-FXAWDEMLSA-N 1 0 344.455 2.938 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ncc(C)cc2C)cc1C ZINC001162970418 1312214869 /nfs/dbraw/zinc/21/48/69/1312214869.db2.gz WAZNPLZIHHDHQM-UHFFFAOYSA-N 1 0 341.455 2.925 20 10 EFCDRO COc1cccc(C[NH2+]C23CC(C(=O)N4CCCC45CC5)(C2)C3)c1O ZINC001277453895 1312227633 /nfs/dbraw/zinc/22/76/33/1312227633.db2.gz JVFQIDYOULDVEN-UHFFFAOYSA-N 1 0 342.439 2.568 20 10 EFCDRO COc1ccc(C[NH2+]C23CC(C(=O)N4CCCC45CC5)(C2)C3)c(O)c1 ZINC001277457929 1312250614 /nfs/dbraw/zinc/25/06/14/1312250614.db2.gz RJJZZMVOPCGKDY-UHFFFAOYSA-N 1 0 342.439 2.568 20 10 EFCDRO COc1ccc(C[NH+]2CCC3(CC[C@H](C(=O)N(C)C)C3)CC2)c(O)c1 ZINC001277458389 1312254231 /nfs/dbraw/zinc/25/42/31/1312254231.db2.gz WYFQIUPXKNARAQ-HNNXBMFYSA-N 1 0 346.471 2.871 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cn(C(C)C)cn2)cc1C ZINC001163262264 1312276255 /nfs/dbraw/zinc/27/62/55/1312276255.db2.gz KKONGSSJHCLYPV-UHFFFAOYSA-N 1 0 344.459 2.691 20 10 EFCDRO [NH3+]CCN(CCO)c1c(Cl)cc(OC(F)(F)F)cc1Cl ZINC001163836556 1312392341 /nfs/dbraw/zinc/39/23/41/1312392341.db2.gz VBUAZBDEWGSQRD-UHFFFAOYSA-N 1 0 333.137 2.649 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H](C)C(F)(F)F)cc1C ZINC001164089796 1312445085 /nfs/dbraw/zinc/44/50/85/1312445085.db2.gz QMEWIUGMBRMGAN-LBPRGKRZSA-N 1 0 332.366 2.798 20 10 EFCDRO C[C@H](C[N+](C)(C)C)Oc1cc(O)ccc1C(=O)c1ccc(O)c(O)c1 ZINC001231343683 1312481072 /nfs/dbraw/zinc/48/10/72/1312481072.db2.gz CNSFLYOQNTXTHI-GFCCVEGCSA-O 1 0 346.403 2.508 20 10 EFCDRO C[C@H]([NH2+]CCN1CCCOCC1)c1ccc(Br)cc1O ZINC000903228939 1312481671 /nfs/dbraw/zinc/48/16/71/1312481671.db2.gz UBXPKNKUWUBKTM-LBPRGKRZSA-N 1 0 343.265 2.528 20 10 EFCDRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccccc1O ZINC000903231556 1312482729 /nfs/dbraw/zinc/48/27/29/1312482729.db2.gz OCVBBFGJBCBRHM-HUUCEWRRSA-N 1 0 348.468 2.800 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]CCCONC(=O)OC(C)(C)C)c1O ZINC000903240408 1312492862 /nfs/dbraw/zinc/49/28/62/1312492862.db2.gz XMRALTUAPNALRN-GFCCVEGCSA-N 1 0 340.420 2.898 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CCCC3(CN(Cc4cn[nH]c4)C3)C2)c1O ZINC001277519380 1312499238 /nfs/dbraw/zinc/49/92/38/1312499238.db2.gz VHAOPKLDUXGDLN-UHFFFAOYSA-N 1 0 344.434 2.661 20 10 EFCDRO CCOC(=O)CC[N@H+](C)Cc1c(Br)ccc(OC)c1O ZINC001231554089 1312524467 /nfs/dbraw/zinc/52/44/67/1312524467.db2.gz IEJDHWLFVHCYHY-UHFFFAOYSA-N 1 0 346.221 2.548 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)c(O)cc1O ZINC001231635133 1312536316 /nfs/dbraw/zinc/53/63/16/1312536316.db2.gz WBOFKGOTJGQCCB-ZUZCIYMTSA-N 1 0 349.349 2.632 20 10 EFCDRO COc1cc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c(O)cc1O ZINC001231637764 1312536590 /nfs/dbraw/zinc/53/65/90/1312536590.db2.gz ROVSLENXGQOENK-HNNXBMFYSA-N 1 0 349.349 2.632 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](OCc3ccccc3)C2)c(O)cc1O ZINC001231636363 1312537001 /nfs/dbraw/zinc/53/70/01/1312537001.db2.gz TWPGFBSKLWRAQI-MRXNPFEDSA-N 1 0 329.396 2.898 20 10 EFCDRO COc1cc(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)c(O)cc1O ZINC001231636714 1312537042 /nfs/dbraw/zinc/53/70/42/1312537042.db2.gz UNYDWBMYQZBADN-UHFFFAOYSA-N 1 0 347.386 2.729 20 10 EFCDRO COc1cc(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c(O)cc1O ZINC001231639753 1312537644 /nfs/dbraw/zinc/53/76/44/1312537644.db2.gz IUXKQMBIWWRQEZ-HOTGVXAUSA-N 1 0 340.423 2.675 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c(O)cc1O ZINC001231639744 1312537777 /nfs/dbraw/zinc/53/77/77/1312537777.db2.gz IMOZXYWWQXZKIT-OAHLLOKOSA-N 1 0 333.359 2.899 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2)c(O)cc1O ZINC001231639270 1312537917 /nfs/dbraw/zinc/53/79/17/1312537917.db2.gz HJBBPKCUPLDNNB-HNNXBMFYSA-N 1 0 342.395 2.710 20 10 EFCDRO N[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CCC1(F)F ZINC001206682602 1312544191 /nfs/dbraw/zinc/54/41/91/1312544191.db2.gz CAODYQGPHGSKMA-LBPRGKRZSA-N 1 0 340.292 2.502 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CCC[C@@H]3C(N)=O)C2)c(Cl)c1 ZINC001277552404 1312551890 /nfs/dbraw/zinc/55/18/90/1312551890.db2.gz YSJTUYNPFTUQPP-QAPCUYQASA-N 1 0 335.879 2.884 20 10 EFCDRO Cc1noc(NC(=O)[C@@]23C[C@@H]2C[N@H+](Cc2ccc(C)cc2O)C3)c1C ZINC001277559380 1312557326 /nfs/dbraw/zinc/55/73/26/1312557326.db2.gz AZGIFKLNHVWFBF-DNVCBOLYSA-N 1 0 341.411 2.766 20 10 EFCDRO Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CC=CC3)CC2)c(O)c1 ZINC001277568539 1312568176 /nfs/dbraw/zinc/56/81/76/1312568176.db2.gz SBJZRKYYSORWQX-KRWDZBQOSA-N 1 0 326.440 2.701 20 10 EFCDRO Cc1cc(C)c(CN2CCn3cc(C[NH+]4CCCC4)nc3C2)c(O)c1 ZINC001231845430 1312573438 /nfs/dbraw/zinc/57/34/38/1312573438.db2.gz ZGWDAFJBXWNCLO-UHFFFAOYSA-N 1 0 340.471 2.817 20 10 EFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(NC(=O)CC(C)C)CC1 ZINC001231852849 1312574911 /nfs/dbraw/zinc/57/49/11/1312574911.db2.gz BGJQPSAEBZPFFX-UHFFFAOYSA-N 1 0 347.503 2.888 20 10 EFCDRO CCOC(=O)N1CCC([N@H+](C)Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231854155 1312574995 /nfs/dbraw/zinc/57/49/95/1312574995.db2.gz AHTYTGCEFULAPU-UHFFFAOYSA-N 1 0 349.475 2.814 20 10 EFCDRO CCN1CC[C@]2(CCC[N@H+](Cc3ccc(N(C)C)cc3OC)C2)C1=O ZINC001231853009 1312575184 /nfs/dbraw/zinc/57/51/84/1312575184.db2.gz QTARXADOXZBPRD-FQEVSTJZSA-N 1 0 345.487 2.596 20 10 EFCDRO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(N(C)C)cc1OC)C2 ZINC001231852452 1312575329 /nfs/dbraw/zinc/57/53/29/1312575329.db2.gz KWVOBWQYHLPKMH-AZUAARDMSA-N 1 0 348.487 2.921 20 10 EFCDRO COc1cc(N(C)C)ccc1CN1CCN(c2cc[nH+]cc2C)CC1 ZINC001231858796 1312575504 /nfs/dbraw/zinc/57/55/04/1312575504.db2.gz ZSPUAPYEWKMVRU-UHFFFAOYSA-N 1 0 340.471 2.787 20 10 EFCDRO COc1cc(N(C)C)ccc1CN1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001231858095 1312575614 /nfs/dbraw/zinc/57/56/14/1312575614.db2.gz SAEKIASXRKNJDR-UHFFFAOYSA-N 1 0 340.471 2.787 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](Oc2nccc(C)n2)C1 ZINC001231857370 1312575962 /nfs/dbraw/zinc/57/59/62/1312575962.db2.gz HYKUXATXBPVSNT-QGZVFWFLSA-N 1 0 342.443 2.513 20 10 EFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(N2CCCOC2=O)CC1 ZINC001231858380 1312576082 /nfs/dbraw/zinc/57/60/82/1312576082.db2.gz VPKUOLKULSLWTP-UHFFFAOYSA-N 1 0 347.459 2.568 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)cc1Cl ZINC001231870860 1312578089 /nfs/dbraw/zinc/57/80/89/1312578089.db2.gz BTRFFHPZGZUYCF-CYBMUJFWSA-N 1 0 337.782 2.936 20 10 EFCDRO COc1cnc(O[C@@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)nc1 ZINC001231871955 1312578271 /nfs/dbraw/zinc/57/82/71/1312578271.db2.gz SELCNOFFTFUOEU-CYBMUJFWSA-N 1 0 349.818 2.806 20 10 EFCDRO O=C1[C@H]2C[N@H+](Cc3ccc4ccccc4c3O)C[C@H]2CN1CC1CC1 ZINC001231878641 1312579512 /nfs/dbraw/zinc/57/95/12/1312579512.db2.gz OGJUWIQACAEKCD-HKUYNNGSSA-N 1 0 336.435 2.846 20 10 EFCDRO COC(=O)CC[C@@H]1COCCN1Cc1ccc2ccccc2c1O ZINC001231881669 1312579633 /nfs/dbraw/zinc/57/96/33/1312579633.db2.gz ADVSCQKDZVJKHV-MRXNPFEDSA-N 1 0 329.396 2.699 20 10 EFCDRO Oc1c(CN2CCO[C@@H](C[NH+]3CCCC3)C2)ccc2ccccc21 ZINC001231883779 1312580258 /nfs/dbraw/zinc/58/02/58/1312580258.db2.gz PCQLVWDXOYACLJ-SFHVURJKSA-N 1 0 326.440 2.842 20 10 EFCDRO CCN1CCC[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)C1=O ZINC000903392346 1312627534 /nfs/dbraw/zinc/62/75/34/1312627534.db2.gz QVGNUUPDTHQWPX-GWCFXTLKSA-N 1 0 341.249 2.816 20 10 EFCDRO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)C1=O ZINC000903392558 1312627530 /nfs/dbraw/zinc/62/75/30/1312627530.db2.gz UOXFFGZVMBFBDD-GWCFXTLKSA-N 1 0 341.249 2.816 20 10 EFCDRO C[C@H]([NH2+]CC[C@@H](O)C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000903404897 1312636763 /nfs/dbraw/zinc/63/67/63/1312636763.db2.gz AKFZVVLMNFWKSY-SCLBCKFNSA-N 1 0 338.879 2.988 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2Cc3ccccc32)cc1C ZINC001165507726 1312639606 /nfs/dbraw/zinc/63/96/06/1312639606.db2.gz PTFIKRQAFKMLCZ-LJQANCHMSA-N 1 0 338.451 2.939 20 10 EFCDRO Clc1cc(C[N@@H+]2CC[C@@]3(CCCO3)C2)ccc1N1CCOCC1 ZINC001232195195 1312646114 /nfs/dbraw/zinc/64/61/14/1312646114.db2.gz RMFXUXBIGNHWBT-SFHVURJKSA-N 1 0 336.863 2.932 20 10 EFCDRO OC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232194577 1312646380 /nfs/dbraw/zinc/64/63/80/1312646380.db2.gz KBEXSWNEWKFQFK-HNNXBMFYSA-N 1 0 338.879 2.771 20 10 EFCDRO CC(C)[N@H+](CCCO)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232203230 1312648541 /nfs/dbraw/zinc/64/85/41/1312648541.db2.gz QGTKFNBXEBSROK-UHFFFAOYSA-N 1 0 326.868 2.769 20 10 EFCDRO CCO[C@@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)[C@@H]2CCCO[C@H]12 ZINC001232257818 1312660315 /nfs/dbraw/zinc/66/03/15/1312660315.db2.gz JWFBQJGGNDYKRO-WQVCFCJDSA-N 1 0 327.808 2.520 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2CCCN(c3ccccn3)CC2)cc1Cl ZINC001232258913 1312660380 /nfs/dbraw/zinc/66/03/80/1312660380.db2.gz DARDPWGORDGVNX-UHFFFAOYSA-N 1 0 333.819 2.859 20 10 EFCDRO Oc1cc(O)c(CN2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)cc1Cl ZINC001232263534 1312660965 /nfs/dbraw/zinc/66/09/65/1312660965.db2.gz AOWOIMSADMQUAP-KBPBESRZSA-N 1 0 328.815 2.759 20 10 EFCDRO CC(=O)N(C(C)C)C1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232262302 1312660994 /nfs/dbraw/zinc/66/09/94/1312660994.db2.gz BGVZIOHWXATUIM-UHFFFAOYSA-N 1 0 340.851 2.973 20 10 EFCDRO Oc1cc(O)c(CN2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)cc1Cl ZINC001232263536 1312661363 /nfs/dbraw/zinc/66/13/63/1312661363.db2.gz AOWOIMSADMQUAP-UONOGXRCSA-N 1 0 328.815 2.759 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@]23CC(=O)N(C)C3)cc1Cl ZINC001232265901 1312661859 /nfs/dbraw/zinc/66/18/59/1312661859.db2.gz BVYVLMDRCLLAKG-QGZVFWFLSA-N 1 0 338.835 2.641 20 10 EFCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232269557 1312662468 /nfs/dbraw/zinc/66/24/68/1312662468.db2.gz DMHRJCLSTHPDQN-LLVKDONJSA-N 1 0 327.808 2.829 20 10 EFCDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232269450 1312662860 /nfs/dbraw/zinc/66/28/60/1312662860.db2.gz AVTLSMSAVPZDEG-ZYHUDNBSSA-N 1 0 327.808 2.685 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(N3CC(F)(F)C3)CC2)cc1Cl ZINC001232270213 1312663606 /nfs/dbraw/zinc/66/36/06/1312663606.db2.gz YQUZWMYSWJJRDS-UHFFFAOYSA-N 1 0 346.805 2.970 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(Oc3ccncn3)CC2)cc1Cl ZINC001232270545 1312663624 /nfs/dbraw/zinc/66/36/24/1312663624.db2.gz DWIICYXTTYITAG-UHFFFAOYSA-N 1 0 349.818 2.888 20 10 EFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2O)CC1 ZINC001232271159 1312663787 /nfs/dbraw/zinc/66/37/87/1312663787.db2.gz OJIJEDAIHHIWGJ-NSHDSACASA-N 1 0 327.808 2.829 20 10 EFCDRO CC[NH+](CC)C[C@@H]1CN(Cc2cc(Cl)c(OC)cc2O)CCO1 ZINC001232270948 1312664004 /nfs/dbraw/zinc/66/40/04/1312664004.db2.gz MZDPJBROLNFCOJ-CQSZACIVSA-N 1 0 342.867 2.597 20 10 EFCDRO CC[C@@H](F)C[NH2+][C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001211344938 1314480536 /nfs/dbraw/zinc/48/05/36/1314480536.db2.gz HCPJTPPBABBHPB-UKRRQHHQSA-N 1 0 349.410 2.791 20 10 EFCDRO O=C(c1ccccc1F)c1cc(Cl)ccc1NC[C@]1(O)CC[NH2+]C1 ZINC001245962857 1314556441 /nfs/dbraw/zinc/55/64/41/1314556441.db2.gz PLUSBWQSNHHMRU-SFHVURJKSA-N 1 0 348.805 2.846 20 10 EFCDRO O=C(c1ccc(F)cc1)c1ccccc1NC[C@]1(O)CCC[NH2+]C1 ZINC001245964200 1314556471 /nfs/dbraw/zinc/55/64/71/1314556471.db2.gz RATDVNNFDNOHKU-IBGZPJMESA-N 1 0 328.387 2.583 20 10 EFCDRO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccc2ccccc2c1O ZINC001276374259 1314599048 /nfs/dbraw/zinc/59/90/48/1314599048.db2.gz UGOGLJOIFBSLOA-CALCHBBNSA-N 1 0 339.439 2.922 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCO[C@H]3C)C2)cc1C ZINC001020109616 1314614556 /nfs/dbraw/zinc/61/45/56/1314614556.db2.gz WBFGCMWRNOMUMH-LEUOFYLZSA-N 1 0 346.471 2.556 20 10 EFCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CN1 ZINC001246522382 1314641700 /nfs/dbraw/zinc/64/17/00/1314641700.db2.gz CMOYYURMOPYNCK-DHSIGJKJSA-N 1 0 346.471 2.516 20 10 EFCDRO CCO[C@H](CC)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001214262167 1314667778 /nfs/dbraw/zinc/66/77/78/1314667778.db2.gz PRTUJPVANZMXRK-KBAYOESNSA-N 1 0 348.487 2.755 20 10 EFCDRO COCOc1ccc2[nH]c(-c3ccc(N4CC[NH2+]CC4)cc3)nc2c1 ZINC001247017090 1314732060 /nfs/dbraw/zinc/73/20/60/1314732060.db2.gz DJLFTRABCCOAQX-UHFFFAOYSA-N 1 0 338.411 2.622 20 10 EFCDRO COc1cc(C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)cc(OC)n1 ZINC001020352508 1314746457 /nfs/dbraw/zinc/74/64/57/1314746457.db2.gz STZBLOBVMSNMQR-WKILWMFISA-N 1 0 347.459 2.530 20 10 EFCDRO COc1cc(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)cc(OC)n1 ZINC001020352499 1314746485 /nfs/dbraw/zinc/74/64/85/1314746485.db2.gz RZQGTCYTJMEYQN-WKILWMFISA-N 1 0 347.459 2.530 20 10 EFCDRO CC(C)[N@H+](CC(=O)N(C)CC(F)(F)F)Cc1ccc(N(C)C)cc1 ZINC000749117194 1314759394 /nfs/dbraw/zinc/75/93/94/1314759394.db2.gz SLFXAIYJPQTURX-UHFFFAOYSA-N 1 0 345.409 2.984 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCC(F)F)C[C@H]2C)cc1C ZINC001215164922 1314792530 /nfs/dbraw/zinc/79/25/30/1314792530.db2.gz ICEYHCWKUXEZTC-UKRRQHHQSA-N 1 0 340.414 2.985 20 10 EFCDRO O=C(OCc1ccccc1)N1CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000401898948 1314831214 /nfs/dbraw/zinc/83/12/14/1314831214.db2.gz BZLJSYMUXZXFDH-KRWDZBQOSA-N 1 0 326.396 2.893 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3C[NH2+]CC[C@H]3O)n2)cc1 ZINC001247754727 1314834273 /nfs/dbraw/zinc/83/42/73/1314834273.db2.gz BVLQIRWZTFCMFV-IAGOWNOFSA-N 1 0 338.411 2.582 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3C[NH2+]CC[C@H]3O)n2)cc1 ZINC001247754726 1314834559 /nfs/dbraw/zinc/83/45/59/1314834559.db2.gz BVLQIRWZTFCMFV-DLBZAZTESA-N 1 0 338.411 2.582 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3C[NH2+]CC[C@@H]3O)n2)cc1 ZINC001247755054 1314834726 /nfs/dbraw/zinc/83/47/26/1314834726.db2.gz BVLQIRWZTFCMFV-SJORKVTESA-N 1 0 338.411 2.582 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(C[C@H]3COCC[NH2+]3)n2)cc1 ZINC001248138648 1314894572 /nfs/dbraw/zinc/89/45/72/1314894572.db2.gz RJYVGAHALXFAIK-INIZCTEOSA-N 1 0 338.411 2.675 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)CC2CC2)cc1I ZINC001248458616 1314936354 /nfs/dbraw/zinc/93/63/54/1314936354.db2.gz KCHVWMZHLSLOMW-UHFFFAOYSA-N 1 0 347.196 2.847 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCCCC2)cc1I ZINC001248458892 1314936449 /nfs/dbraw/zinc/93/64/49/1314936449.db2.gz NAJIMJHNSUKRAH-UHFFFAOYSA-N 1 0 347.196 2.991 20 10 EFCDRO CC[N@H+](Cc1cc(I)c(OC)cc1O)C1CC1 ZINC001248459548 1314937147 /nfs/dbraw/zinc/93/71/47/1314937147.db2.gz YTAQCGLXUHGMIV-UHFFFAOYSA-N 1 0 347.196 2.990 20 10 EFCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)cc1Cl ZINC001248879698 1314990180 /nfs/dbraw/zinc/99/01/80/1314990180.db2.gz CINVORAKKUPZPE-SJLPKXTDSA-N 1 0 341.879 2.908 20 10 EFCDRO CN1C[C@@H]2C[N@H+](Cc3cc(Cl)c(C(C)(C)C)cc3O)C[C@@H]2C1=O ZINC001248882065 1314992450 /nfs/dbraw/zinc/99/24/50/1314992450.db2.gz CZWFSGAWDQTGPC-OLZOCXBDSA-N 1 0 336.863 2.863 20 10 EFCDRO CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001216894325 1315020167 /nfs/dbraw/zinc/02/01/67/1315020167.db2.gz ORBWEENSPUTPNX-UXIGCNINSA-N 1 0 349.410 2.647 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCc3cc(OC)ccc3C2)c(O)c1 ZINC001249171506 1315028249 /nfs/dbraw/zinc/02/82/49/1315028249.db2.gz COHHFKATLBCIFZ-UHFFFAOYSA-N 1 0 341.407 2.675 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c(O)c1 ZINC001249173679 1315029402 /nfs/dbraw/zinc/02/94/02/1315029402.db2.gz UXRHPQNCXQCGLM-QGZVFWFLSA-N 1 0 326.396 2.840 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC(F)(F)C(C)(C)C2)c(O)c1 ZINC001249177909 1315030125 /nfs/dbraw/zinc/03/01/25/1315030125.db2.gz LHZCOOJGUCAEOR-UHFFFAOYSA-N 1 0 327.371 2.975 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)c(O)c1 ZINC001249178798 1315030254 /nfs/dbraw/zinc/03/02/54/1315030254.db2.gz VUUPXDARYHDTNS-CQSZACIVSA-N 1 0 331.334 2.677 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2Cc3ccc(OC)cc3C2)c(O)c1 ZINC001249201208 1315032631 /nfs/dbraw/zinc/03/26/31/1315032631.db2.gz KJHIZUIZAQADRN-UHFFFAOYSA-N 1 0 327.380 2.632 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC(=O)[C@H](C)C23CCCC3)c(O)c1 ZINC001249218669 1315034031 /nfs/dbraw/zinc/03/40/31/1315034031.db2.gz ZLYMYJAUBOJWAX-AWEZNQCLSA-N 1 0 345.439 2.831 20 10 EFCDRO COC(=O)Cc1ccc(C[NH+]2CCC(c3cccnc3)CC2)c(O)c1 ZINC001249214600 1315034157 /nfs/dbraw/zinc/03/41/57/1315034157.db2.gz OAJGYLVEINDYIN-UHFFFAOYSA-N 1 0 340.423 2.882 20 10 EFCDRO CNC(=O)C1CC[NH+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249224411 1315034658 /nfs/dbraw/zinc/03/46/58/1315034658.db2.gz YSJGLKPCCABXAT-UHFFFAOYSA-N 1 0 330.428 2.534 20 10 EFCDRO COCCC[NH+]1CCN(Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249252855 1315040146 /nfs/dbraw/zinc/04/01/46/1315040146.db2.gz XXBFKGBBRPAKGJ-UHFFFAOYSA-N 1 0 346.471 2.731 20 10 EFCDRO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249258370 1315040429 /nfs/dbraw/zinc/04/04/29/1315040429.db2.gz GWHFPXKDEFONOA-HNNXBMFYSA-N 1 0 330.428 2.677 20 10 EFCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249263635 1315041628 /nfs/dbraw/zinc/04/16/28/1315041628.db2.gz QSFFFKQMKZJXAW-LJQANCHMSA-N 1 0 331.412 2.961 20 10 EFCDRO COc1cc(-c2noc(C[C@@H]([NH3+])c3ccccc3O)n2)ccc1F ZINC001249339970 1315056368 /nfs/dbraw/zinc/05/63/68/1315056368.db2.gz QGAPOTKKRNKILL-CYBMUJFWSA-N 1 0 329.331 2.832 20 10 EFCDRO COc1ncc(Cl)cc1-c1noc(C[C@@H]([NH3+])c2ccccc2O)n1 ZINC001249339368 1315056499 /nfs/dbraw/zinc/05/64/99/1315056499.db2.gz NCIZDMLDZGOAOS-GFCCVEGCSA-N 1 0 346.774 2.742 20 10 EFCDRO C[C@@H](Cc1ccco1)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001318367111 1328566510 /nfs/dbraw/zinc/56/65/10/1328566510.db2.gz INRNVQCASYYKNT-HNNXBMFYSA-N 1 0 331.435 2.891 20 10 EFCDRO C[C@@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCN(Cc2ccccc2)C1 ZINC000406140171 1315112489 /nfs/dbraw/zinc/11/24/89/1315112489.db2.gz QDOQGHKTUUBBBQ-HXUWFJFHSA-N 1 0 340.423 2.875 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@H]3C[NH2+]CC[C@@H]3F)ccc21 ZINC001217958846 1315125395 /nfs/dbraw/zinc/12/53/95/1315125395.db2.gz IMDFLMLQCMFWRY-IRXDYDNUSA-N 1 0 325.339 2.541 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@@H]1CCCC[NH2+]C1 ZINC001217970036 1315126813 /nfs/dbraw/zinc/12/68/13/1315126813.db2.gz BTZVSDSNAAIKMG-GFCCVEGCSA-N 1 0 337.375 2.689 20 10 EFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)c(O)c1 ZINC001249725174 1315127076 /nfs/dbraw/zinc/12/70/76/1315127076.db2.gz NWCUQMRIMYVWJK-CJNGLKHVSA-N 1 0 339.407 2.904 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3C[NH2+]CCC[C@@H]3F)ccc21 ZINC001217981773 1315128946 /nfs/dbraw/zinc/12/89/46/1315128946.db2.gz PZMPGZFBIDANBU-ZWKOTPCHSA-N 1 0 339.366 2.931 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@H]3C[NH2+]CCC[C@@H]3F)ccc21 ZINC001217981772 1315129152 /nfs/dbraw/zinc/12/91/52/1315129152.db2.gz PZMPGZFBIDANBU-ROUUACIJSA-N 1 0 339.366 2.931 20 10 EFCDRO O=C1c2cccc(O[C@H]3CCC[NH2+]CC3)c2C(=O)c2cccc(O)c21 ZINC001217995271 1315130484 /nfs/dbraw/zinc/13/04/84/1315130484.db2.gz GCLXOGIRDQQAHO-LBPRGKRZSA-N 1 0 337.375 2.689 20 10 EFCDRO Cc1c(O)cc2c(c1OC1CC3(C[NH2+]C3)C1)C(=O)c1ccccc1C2=O ZINC001218055795 1315140206 /nfs/dbraw/zinc/14/02/06/1315140206.db2.gz JIZKFHPMESRDGH-UHFFFAOYSA-N 1 0 349.386 2.607 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CC[NH2+]C[C@H]3F)cccc21 ZINC001218068857 1315142659 /nfs/dbraw/zinc/14/26/59/1315142659.db2.gz XXWQJISTZZHYQM-HUUCEWRRSA-N 1 0 325.339 2.541 20 10 EFCDRO CC(C)(C)OC(=O)NCc1c[nH+]ccc1Nc1cccc(O)c1O ZINC001249820416 1315142692 /nfs/dbraw/zinc/14/26/92/1315142692.db2.gz FHKJUHYAECMTLD-UHFFFAOYSA-N 1 0 331.372 2.683 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CC[NH2+]C[C@@H]3F)cccc21 ZINC001218068858 1315142781 /nfs/dbraw/zinc/14/27/81/1315142781.db2.gz XXWQJISTZZHYQM-LSDHHAIUSA-N 1 0 325.339 2.541 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@H]3CC[NH2+]C[C@@H]3F)ccc21 ZINC001218074462 1315143963 /nfs/dbraw/zinc/14/39/63/1315143963.db2.gz ZYFWFOYZRAQDDL-IRXDYDNUSA-N 1 0 325.339 2.541 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CC[C@]34CC[NH2+]C4)ccc(O)c21 ZINC001218119219 1315151657 /nfs/dbraw/zinc/15/16/57/1315151657.db2.gz RMRNCWQIWOKQRB-IIBYNOLFSA-N 1 0 349.386 2.689 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CC[C@]34CC[NH2+]C4)cccc21 ZINC001218121440 1315151813 /nfs/dbraw/zinc/15/18/13/1315151813.db2.gz ZIFNRMLKPKRZSR-DYESRHJHSA-N 1 0 333.387 2.983 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3C[C@H]4C[NH2+]C[C@H]4C3)ccc(O)c21 ZINC001218135477 1315153963 /nfs/dbraw/zinc/15/39/63/1315153963.db2.gz WXDNQVORRYWWMA-CLLJXQQHSA-N 1 0 349.386 2.544 20 10 EFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@H]3CCC4(C[NH2+]C4)C3)cccc21 ZINC001218233832 1315168355 /nfs/dbraw/zinc/16/83/55/1315168355.db2.gz AOYYRNAHOOONRM-LBPRGKRZSA-N 1 0 349.386 2.689 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CC[C@H]2CN(Cc3nc4ccccc4[nH]3)C[C@H]21 ZINC001278551217 1315172427 /nfs/dbraw/zinc/17/24/27/1315172427.db2.gz DTIHSQZBXVLLOY-HNAYVOBHSA-N 1 0 348.450 2.975 20 10 EFCDRO COCC[NH+](CCOC)Cc1cc(C)c(Br)cc1O ZINC001250116626 1315174710 /nfs/dbraw/zinc/17/47/10/1315174710.db2.gz DYVPPUFVGHXDGA-UHFFFAOYSA-N 1 0 332.238 2.558 20 10 EFCDRO Cc1cc(CN2CC[NH+](CC3CC3)CC2)c(O)cc1Br ZINC001250128879 1315176915 /nfs/dbraw/zinc/17/69/15/1315176915.db2.gz NOGHFQFCYPGAHZ-UHFFFAOYSA-N 1 0 339.277 2.991 20 10 EFCDRO Cc1cc(C[N@H+]2CCC3(CN(C)C3)C2)c(O)cc1Br ZINC001250133359 1315177491 /nfs/dbraw/zinc/17/74/91/1315177491.db2.gz LEAYDTCZAZCVJE-UHFFFAOYSA-N 1 0 325.250 2.601 20 10 EFCDRO Cc1cc(CN2C[C@H]3[C@H](C2)CCC[N@H+]3C)c(O)cc1Br ZINC001250132993 1315177667 /nfs/dbraw/zinc/17/76/67/1315177667.db2.gz GGNXXBZKBYNCEQ-WFASDCNBSA-N 1 0 339.277 2.989 20 10 EFCDRO C[C@H](Oc1ccc(N2CC[NH2+]CC2)cc1)C(=O)OCc1ccccc1 ZINC001218355480 1315183716 /nfs/dbraw/zinc/18/37/16/1315183716.db2.gz JXPALFUXKNHNDI-INIZCTEOSA-N 1 0 340.423 2.607 20 10 EFCDRO C[C@@H]1CC[C@@H](Oc2c(O)c(O)ccc2C(=O)c2ccccc2)C[NH2+]1 ZINC001218399405 1315190028 /nfs/dbraw/zinc/19/00/28/1315190028.db2.gz PZYBLYJNXHUPNJ-TZMCWYRMSA-N 1 0 327.380 2.848 20 10 EFCDRO O=C1c2cccc(O[C@H]3C[NH2+]CCC34CC4)c2C(=O)c2cccc(O)c21 ZINC001218405012 1315191072 /nfs/dbraw/zinc/19/10/72/1315191072.db2.gz MMYJVKHQMMMCEF-INIZCTEOSA-N 1 0 349.386 2.689 20 10 EFCDRO C[C@@H]1CC[C@H](Oc2cccc3c2C(=O)c2cccc(O)c2C3=O)C[NH2+]1 ZINC001218408320 1315191775 /nfs/dbraw/zinc/19/17/75/1315191775.db2.gz USYIEUJOCUAYCZ-NEPJUHHUSA-N 1 0 337.375 2.687 20 10 EFCDRO C[C@H]1C[NH2+]CC[C@H]1Oc1cccc2c1C(=O)c1cccc(O)c1C2=O ZINC001218414424 1315192768 /nfs/dbraw/zinc/19/27/68/1315192768.db2.gz KWJPWIVBKFQROQ-XHDPSFHLSA-N 1 0 337.375 2.544 20 10 EFCDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1cccc2c1C(=O)c1cccc(O)c1C2=O ZINC001218414422 1315192967 /nfs/dbraw/zinc/19/29/67/1315192967.db2.gz KWJPWIVBKFQROQ-IAQYHMDHSA-N 1 0 337.375 2.544 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CC[C@H]4C[NH2+]C[C@H]43)ccc(O)c21 ZINC001218461363 1315200317 /nfs/dbraw/zinc/20/03/17/1315200317.db2.gz RDQXRXQAGAAAIX-SGIREYDYSA-N 1 0 349.386 2.544 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]12 ZINC001218471592 1315201699 /nfs/dbraw/zinc/20/16/99/1315201699.db2.gz HRAWOJVGSWSNQQ-RGYTYGDFSA-N 1 0 349.386 2.544 20 10 EFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3CC[C@H]4C[NH2+]C[C@@H]43)cccc21 ZINC001218473853 1315201884 /nfs/dbraw/zinc/20/18/84/1315201884.db2.gz SBCXFJXYBLTMHP-HZUKXOBISA-N 1 0 349.386 2.544 20 10 EFCDRO COc1cc(O)c(CN2CC3(CC[N@@H+]3C3CCCC3)C2)cc1OC ZINC001276788881 1315211613 /nfs/dbraw/zinc/21/16/13/1315211613.db2.gz BNDMPOMRHRUGAN-UHFFFAOYSA-N 1 0 332.444 2.612 20 10 EFCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(N2CCOCC2)cc1Cl ZINC001276788909 1315211799 /nfs/dbraw/zinc/21/17/99/1315211799.db2.gz JPRXVLFUNUREPA-ZNXRZULTSA-N 1 0 349.906 2.891 20 10 EFCDRO N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)C[C@H]1CCC[NH2+]C1 ZINC001218582729 1315217776 /nfs/dbraw/zinc/21/77/76/1315217776.db2.gz ZMTAFWNEQJGFBO-IOFXUISUSA-N 1 0 338.415 2.995 20 10 EFCDRO C[C@H]1CC[NH2+][C@H](C(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)C1 ZINC001218582200 1315217853 /nfs/dbraw/zinc/21/78/53/1315217853.db2.gz VMBKTYCZAZZGAW-REBOLZDKSA-N 1 0 338.415 2.993 20 10 EFCDRO CN(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001318396740 1328574274 /nfs/dbraw/zinc/57/42/74/1328574274.db2.gz JOBPXGGEGVQNBU-QUCCMNQESA-N 1 0 348.510 2.540 20 10 EFCDRO CN(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001318396743 1328574469 /nfs/dbraw/zinc/57/44/69/1328574469.db2.gz JOBPXGGEGVQNBU-UYAOXDASSA-N 1 0 348.510 2.540 20 10 EFCDRO Nc1nc2cc(NC(=O)C[C@@H]([NH3+])c3ccccc3O)ccc2s1 ZINC001219247481 1315294361 /nfs/dbraw/zinc/29/43/61/1315294361.db2.gz GCEFBEMDBMHMME-LLVKDONJSA-N 1 0 328.397 2.613 20 10 EFCDRO C[NH+](C)CCN1CCC12CN(Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001276804434 1315305689 /nfs/dbraw/zinc/30/56/89/1315305689.db2.gz DXOIIERWCXDQCY-UHFFFAOYSA-N 1 0 344.286 2.521 20 10 EFCDRO CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)c(O)c1 ZINC001276804862 1315313455 /nfs/dbraw/zinc/31/34/55/1315313455.db2.gz MGZLLMMSYKQKAS-ROUUACIJSA-N 1 0 326.444 2.527 20 10 EFCDRO CCc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c(O)c1 ZINC001276805006 1315316494 /nfs/dbraw/zinc/31/64/94/1315316494.db2.gz PCTXAOJRHFIMEI-KDURUIRLSA-N 1 0 330.472 2.782 20 10 EFCDRO CCOC(=O)C1CCC(O)(C[N@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC001251061959 1315317364 /nfs/dbraw/zinc/31/73/64/1315317364.db2.gz YNVDHCXIWRNZII-UHFFFAOYSA-N 1 0 348.487 2.669 20 10 EFCDRO CCc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)c(O)c1 ZINC001276805442 1315317927 /nfs/dbraw/zinc/31/79/27/1315317927.db2.gz XQQYAWSQRNIRGQ-HDICACEKSA-N 1 0 326.444 2.527 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2C[C@@H]3OCCN(C4CCCC4)[C@H]3C2)c(O)c1 ZINC001276806164 1315327222 /nfs/dbraw/zinc/32/72/22/1315327222.db2.gz IULHTRIDKJLKAO-ICSRJNTNSA-N 1 0 346.471 2.537 20 10 EFCDRO CCCC[C@H]([NH2+]C)C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212744 1315385481 /nfs/dbraw/zinc/38/54/81/1315385481.db2.gz UXBIREKPOXZDLG-AWEZNQCLSA-N 1 0 335.835 2.988 20 10 EFCDRO [NH3+]Cc1ccccc1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212311 1315385980 /nfs/dbraw/zinc/38/59/80/1315385980.db2.gz DJAZBCZNHGWNIP-UHFFFAOYSA-N 1 0 341.798 2.983 20 10 EFCDRO COc1ccc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c(C)c1 ZINC001251993209 1315400876 /nfs/dbraw/zinc/40/08/76/1315400876.db2.gz KWFIGKMOMWEYST-FQEVSTJZSA-N 1 0 326.440 2.859 20 10 EFCDRO CCOc1ccc(C[N@@H+]2C[C@@H]3OCCN(C4CCCC4)[C@H]3C2)c(O)c1 ZINC001276814033 1315422402 /nfs/dbraw/zinc/42/24/02/1315422402.db2.gz BEBRXZVJHKAMQV-ICSRJNTNSA-N 1 0 346.471 2.619 20 10 EFCDRO CC[C@@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039060598 1315433866 /nfs/dbraw/zinc/43/38/66/1315433866.db2.gz LXEGPYOEYWTOBR-IUODEOHRSA-N 1 0 331.420 2.699 20 10 EFCDRO CC[C@H](C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039060601 1315434080 /nfs/dbraw/zinc/43/40/80/1315434080.db2.gz LXEGPYOEYWTOBR-WFASDCNBSA-N 1 0 331.420 2.699 20 10 EFCDRO Oc1ccc(C[NH2+]C[C@H](O)COc2cccc3ccccc32)c(O)c1 ZINC001252397708 1315445996 /nfs/dbraw/zinc/44/59/96/1315445996.db2.gz AUDJNRBJGOLXIN-KRWDZBQOSA-N 1 0 339.391 2.781 20 10 EFCDRO COc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC001252740116 1315498169 /nfs/dbraw/zinc/49/81/69/1315498169.db2.gz FYVJNPXQSYDXJU-MRXNPFEDSA-N 1 0 331.412 2.542 20 10 EFCDRO CCC[C@H](O)C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001252788491 1315508184 /nfs/dbraw/zinc/50/81/84/1315508184.db2.gz ZAXSFASFBSQAMY-AWEZNQCLSA-N 1 0 332.366 2.868 20 10 EFCDRO COc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001252908611 1315528801 /nfs/dbraw/zinc/52/88/01/1315528801.db2.gz XYPVMNBUZZOGEH-YJBOKZPZSA-N 1 0 344.455 2.852 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](O)COc2ccccc2OC)cc1C ZINC001252913102 1315530396 /nfs/dbraw/zinc/53/03/96/1315530396.db2.gz VTFOVBHPFCDZHV-INIZCTEOSA-N 1 0 331.412 2.542 20 10 EFCDRO CCCC[C@H](CC)COC[C@@H](O)C[NH2+]Cc1ccc(O)cc1O ZINC001253023539 1315555466 /nfs/dbraw/zinc/55/54/66/1315555466.db2.gz WMYMIHLDHQFIMG-YOEHRIQHSA-N 1 0 325.449 2.781 20 10 EFCDRO CC[N@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)Cc1ccccn1 ZINC001254010698 1315665497 /nfs/dbraw/zinc/66/54/97/1315665497.db2.gz JXJWPQHZWDCWEH-UHFFFAOYSA-N 1 0 342.462 2.995 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+]CC3(CO)CCCCC3)cc2F)CC1 ZINC001254197172 1315680359 /nfs/dbraw/zinc/68/03/59/1315680359.db2.gz RMYJBUUFGYTEOK-UHFFFAOYSA-N 1 0 349.494 2.610 20 10 EFCDRO [NH3+][C@H](c1ccccc1O)[C@H](N[C@@H]1CCCOC1)c1ccccc1O ZINC001254369267 1315697918 /nfs/dbraw/zinc/69/79/18/1315697918.db2.gz HKXCJWGNRJAAMG-UPRAQXHNSA-N 1 0 328.412 2.608 20 10 EFCDRO COc1ccc(N2CCN([C@H]3CC4CC[NH+](CC4)C3)CC2)c(C)c1 ZINC001254869420 1315753091 /nfs/dbraw/zinc/75/30/91/1315753091.db2.gz VRMDZLYPTUHMMH-SFHVURJKSA-N 1 0 329.488 2.610 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254954665 1315764541 /nfs/dbraw/zinc/76/45/41/1315764541.db2.gz TWECFOHSISGYQE-DZFIZOCASA-N 1 0 328.456 2.713 20 10 EFCDRO CCOc1ccc(N2CC[NH+](C3C[C@@H]4CC(=O)C[C@H]4C3)CC2)cc1 ZINC001254964464 1315766739 /nfs/dbraw/zinc/76/67/39/1315766739.db2.gz QPQIOZVFEBKCHA-HZPDHXFCSA-N 1 0 328.456 2.965 20 10 EFCDRO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001255337942 1315805157 /nfs/dbraw/zinc/80/51/57/1315805157.db2.gz WHNQFCFYRJAYJE-QZTJIDSGSA-N 1 0 346.471 2.735 20 10 EFCDRO COCCOc1ccc(N2CC[NH+](C3CCC(OC)CC3)CC2)cc1 ZINC001255464467 1315826873 /nfs/dbraw/zinc/82/68/73/1315826873.db2.gz IHGVIQFOJTUAFH-UHFFFAOYSA-N 1 0 348.487 2.791 20 10 EFCDRO CC[NH+](CC)CC[C@H](C)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001255973350 1315887612 /nfs/dbraw/zinc/88/76/12/1315887612.db2.gz YXTTXMRVGDHRAC-KRWDZBQOSA-N 1 0 349.519 2.946 20 10 EFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)[C@@H](C)c3ccccc3)CC2)cc1 ZINC000827311381 1315977943 /nfs/dbraw/zinc/97/79/43/1315977943.db2.gz ZDSFHKNVJKRWND-LAUBAEHRSA-N 1 0 340.467 2.982 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@@H](C)Cc3ccncc3)CC2)c(OC)c1 ZINC001256756060 1315989943 /nfs/dbraw/zinc/98/99/43/1315989943.db2.gz ZVERZGDIVYGSBT-INIZCTEOSA-N 1 0 341.455 2.852 20 10 EFCDRO O=C(C[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(O)c(O)c1 ZINC001256792328 1315991925 /nfs/dbraw/zinc/99/19/25/1315991925.db2.gz IXVYAPYSRAMGQI-BEFAXECRSA-N 1 0 327.380 2.790 20 10 EFCDRO Cc1cc(C[N@@H+]2CCC[C@H](OCCO)C2)ccc1N1CCCCC1 ZINC000827833938 1316021327 /nfs/dbraw/zinc/02/13/27/1316021327.db2.gz CKZVDVMALWLTEU-IBGZPJMESA-N 1 0 332.488 2.959 20 10 EFCDRO CN1CCCc2cc(CNC(=O)c3ccc4c(c3)CC[NH2+]CC4)ccc21 ZINC000827914114 1316031736 /nfs/dbraw/zinc/03/17/36/1316031736.db2.gz XJTZTBVVBQZRTP-UHFFFAOYSA-N 1 0 349.478 2.687 20 10 EFCDRO CCOC(=O)c1ccc(C[C@H](C)[NH2+]Cc2ccc(O)c(O)c2)cc1 ZINC001257151587 1316040040 /nfs/dbraw/zinc/04/00/40/1316040040.db2.gz OLKKZOXQFAVQOA-ZDUSSCGKSA-N 1 0 329.396 2.995 20 10 EFCDRO COCCOc1ccc(N2CC[NH+]([C@H](C)CCSC)CC2)cc1 ZINC001258223805 1316133986 /nfs/dbraw/zinc/13/39/86/1316133986.db2.gz FOFHLFXCTUWOPK-MRXNPFEDSA-N 1 0 338.517 2.975 20 10 EFCDRO COc1ccc(CC[C@@H](C)[NH2+]CCc2cc(O)c(O)cc2O)cc1 ZINC001258390535 1316147662 /nfs/dbraw/zinc/14/76/62/1316147662.db2.gz NSIVEBDNAMGYJD-CYBMUJFWSA-N 1 0 331.412 2.965 20 10 EFCDRO C[C@@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[N@@H+]1CC1CC1 ZINC001072103354 1316358546 /nfs/dbraw/zinc/35/85/46/1316358546.db2.gz XRJAOUSKDXQUHR-WBMJQRKESA-N 1 0 343.431 2.842 20 10 EFCDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC001261506922 1316416042 /nfs/dbraw/zinc/41/60/42/1316416042.db2.gz JMNNSFRUBGASLU-KBPBESRZSA-N 1 0 325.840 2.718 20 10 EFCDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC001261506925 1316416286 /nfs/dbraw/zinc/41/62/86/1316416286.db2.gz JMNNSFRUBGASLU-ZIAGYGMSSA-N 1 0 325.840 2.718 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2N(C)C)cc1Cn1cccn1 ZINC001261902857 1316436837 /nfs/dbraw/zinc/43/68/37/1316436837.db2.gz FNRRRFOWHKJIIR-MOPGFXCFSA-N 1 0 342.487 2.902 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N(C)C)cc1Cn1cccn1 ZINC001261902860 1316436935 /nfs/dbraw/zinc/43/69/35/1316436935.db2.gz FNRRRFOWHKJIIR-RTBURBONSA-N 1 0 342.487 2.902 20 10 EFCDRO COC(=O)C[C@@](C)(NCc1ccc(OC)c(C)c1)c1ccccn1 ZINC001262263251 1316457347 /nfs/dbraw/zinc/45/73/47/1316457347.db2.gz KLNKYYOMJXKLNG-LJQANCHMSA-N 1 0 328.412 2.967 20 10 EFCDRO Nc1ccc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)cc1 ZINC000586048759 1316545168 /nfs/dbraw/zinc/54/51/68/1316545168.db2.gz KKUJZJCUSAOCFR-UHFFFAOYSA-N 1 0 330.476 2.865 20 10 EFCDRO Cc1cccc(C[NH+]2CC3(CN(Cc4nc5ccccc5[nH]4)C3)C2)c1O ZINC001279289951 1317227861 /nfs/dbraw/zinc/22/78/61/1317227861.db2.gz CDQIODWCRZASGU-UHFFFAOYSA-N 1 0 348.450 2.895 20 10 EFCDRO Oc1ccc2ccccc2c1C[NH+]1CC2(C1)CCN(Cc1cn[nH]c1)C2 ZINC001279294048 1317228092 /nfs/dbraw/zinc/22/80/92/1317228092.db2.gz QYNWESCEWJPMRT-UHFFFAOYSA-N 1 0 348.450 2.976 20 10 EFCDRO O=C(Nc1cccc2nccn21)[C@H]1CC12C[NH+](Cc1ccccc1O)C2 ZINC001279969092 1317425985 /nfs/dbraw/zinc/42/59/85/1317425985.db2.gz SYKSVICDFRHVQC-OAHLLOKOSA-N 1 0 348.406 2.501 20 10 EFCDRO O=C(Nc1cccc2nccn21)[C@@H]1CC12C[NH+](Cc1ccccc1O)C2 ZINC001279969091 1317426016 /nfs/dbraw/zinc/42/60/16/1317426016.db2.gz SYKSVICDFRHVQC-HNNXBMFYSA-N 1 0 348.406 2.501 20 10 EFCDRO CCCC1CC[NH+](Cc2cc(=O)n3ncc(C(=O)OCC)c3[nH]2)CC1 ZINC001319326720 1328850727 /nfs/dbraw/zinc/85/07/27/1328850727.db2.gz LCDFRGNCAFLLRB-UHFFFAOYSA-N 1 0 346.431 2.624 20 10 EFCDRO CCOc1ccc(N2CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2)cc1 ZINC001319605051 1328927087 /nfs/dbraw/zinc/92/70/87/1328927087.db2.gz ZINRLLHSKSJSEK-IBGZPJMESA-N 1 0 347.503 2.854 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCN(C3CC3)C2)ccc1N1CCCCC1 ZINC000729681518 1321092072 /nfs/dbraw/zinc/09/20/72/1321092072.db2.gz AXPVCEGEJAARQB-INIZCTEOSA-N 1 0 344.459 2.911 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCC[C@H]2O)ccc1N1CCCCC1 ZINC000734844609 1321900109 /nfs/dbraw/zinc/90/01/09/1321900109.db2.gz RCUOLTLFHBCPNZ-CRAIPNDOSA-N 1 0 333.432 2.978 20 10 EFCDRO Cc1cc(CN2CCC[N@@H+](Cc3ccc(N(C)C)c(F)c3)CC2)no1 ZINC001319815248 1329000683 /nfs/dbraw/zinc/00/06/83/1329000683.db2.gz OSFLEUMGRMXXGA-UHFFFAOYSA-N 1 0 346.450 2.896 20 10 EFCDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1(C)C ZINC001319850019 1329013796 /nfs/dbraw/zinc/01/37/96/1329013796.db2.gz BDUYODLPLNIVEA-GDIGMMSISA-N 1 0 349.494 2.727 20 10 EFCDRO CC[NH+](CC)C1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC001319909618 1329033598 /nfs/dbraw/zinc/03/35/98/1329033598.db2.gz LLEXNANSDKIGDH-UHFFFAOYSA-N 1 0 337.420 2.923 20 10 EFCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001319973140 1329046493 /nfs/dbraw/zinc/04/64/93/1329046493.db2.gz NBJNIUWCJASPRH-MRXNPFEDSA-N 1 0 340.423 2.795 20 10 EFCDRO Oc1cc2c(cc1C[NH+]1CCC(n3cc(Cl)cn3)CC1)[C@H](O)CO2 ZINC001320048012 1329064267 /nfs/dbraw/zinc/06/42/67/1329064267.db2.gz QRDQRHDITRDXSV-MRXNPFEDSA-N 1 0 349.818 2.505 20 10 EFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCN(c2cnn(C)c2)C1 ZINC001320125353 1329090282 /nfs/dbraw/zinc/09/02/82/1329090282.db2.gz RNQJDPUIXWDVJK-IIAWOOMASA-N 1 0 326.444 2.851 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C(=O)NCC(F)(F)F ZINC001320131475 1329092412 /nfs/dbraw/zinc/09/24/12/1329092412.db2.gz SCRIKDSLKICVBP-WDEREUQCSA-N 1 0 344.377 2.989 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3CCC(=O)[O-])cc2)CC1 ZINC000901996104 1324765493 /nfs/dbraw/zinc/76/54/93/1324765493.db2.gz FSIQKAGWELRRDR-SFHVURJKSA-N 1 0 345.487 2.658 20 10 EFCDRO CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000904400723 1324875853 /nfs/dbraw/zinc/87/58/53/1324875853.db2.gz MEUGMQLTUHCRIG-HXUWFJFHSA-N 1 0 345.487 2.515 20 10 EFCDRO CCC(CC)(CCO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001321257741 1329364020 /nfs/dbraw/zinc/36/40/20/1329364020.db2.gz DVHAUVKMFNSNKK-UHFFFAOYSA-N 1 0 337.483 2.608 20 10 EFCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@@H](C)C1 ZINC001321674072 1329402423 /nfs/dbraw/zinc/40/24/23/1329402423.db2.gz KXGSZTXTLXOFSH-DOTOQJQBSA-N 1 0 335.467 2.577 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001321720906 1329405154 /nfs/dbraw/zinc/40/51/54/1329405154.db2.gz PRSYXLCEAYLBQR-MAZHCROVSA-N 1 0 335.448 2.634 20 10 EFCDRO CN1CCCc2cc(CNC(=O)N[C@@H]3CCCC[C@H]3[NH+](C)C)ccc21 ZINC001321730677 1329405318 /nfs/dbraw/zinc/40/53/18/1329405318.db2.gz MZYJEROEFOLYPB-IEBWSBKVSA-N 1 0 344.503 2.741 20 10 EFCDRO CN1CCCc2cc(CNC(=O)N[C@H]3CCCC[C@@H]3[NH+](C)C)ccc21 ZINC001321730676 1329405452 /nfs/dbraw/zinc/40/54/52/1329405452.db2.gz MZYJEROEFOLYPB-HKUYNNGSSA-N 1 0 344.503 2.741 20 10 EFCDRO C[N@H+](Cc1ccc(C(N)=O)cc1)Cc1cc(Br)ccc1O ZINC001324014995 1329591065 /nfs/dbraw/zinc/59/10/65/1329591065.db2.gz LOMNKMSSSOVJGI-UHFFFAOYSA-N 1 0 349.228 2.886 20 10 EFCDRO C[C@H](NC(=O)N1CC[NH+](C(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC001324169901 1329605213 /nfs/dbraw/zinc/60/52/13/1329605213.db2.gz FYXBDVWTNGFEQJ-HNNXBMFYSA-N 1 0 332.492 2.939 20 10 EFCDRO Cc1nn(CCO)c(C)c1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC001324716541 1329653510 /nfs/dbraw/zinc/65/35/10/1329653510.db2.gz NAJIWURSKYYFCL-UHFFFAOYSA-N 1 0 342.487 2.723 20 10 EFCDRO CCOc1ccc2c(c1)C[N@@H+](Cc1cc3c(cc1O)OC[C@@H]3O)CC2 ZINC001324716271 1329653568 /nfs/dbraw/zinc/65/35/68/1329653568.db2.gz KIHMCOUWOHXNCN-IBGZPJMESA-N 1 0 341.407 2.775 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCOC(C)(C)C3)cc2F)CC1 ZINC001325696432 1329707212 /nfs/dbraw/zinc/70/72/12/1329707212.db2.gz RZZODAVJMWNHCE-KRWDZBQOSA-N 1 0 349.494 2.872 20 10 EFCDRO CS[C@H]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC001327314122 1330458477 /nfs/dbraw/zinc/45/84/77/1330458477.db2.gz WAIDHZXICHHFAZ-SJORKVTESA-N 1 0 335.517 2.585 20 10 EFCDRO CS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC001327314114 1330458517 /nfs/dbraw/zinc/45/85/17/1330458517.db2.gz WAIDHZXICHHFAZ-IAGOWNOFSA-N 1 0 335.517 2.585 20 10 EFCDRO C[NH2+]C[C@H](C)CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC001327839643 1330520479 /nfs/dbraw/zinc/52/04/79/1330520479.db2.gz JRXYOUBCVOCUCD-KBPBESRZSA-N 1 0 325.884 2.683 20 10 EFCDRO C[NH2+]C[C@H](C)CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC001327839645 1330520830 /nfs/dbraw/zinc/52/08/30/1330520830.db2.gz JRXYOUBCVOCUCD-UONOGXRCSA-N 1 0 325.884 2.683 20 10 EFCDRO COC(=O)CC1CC([NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001327918863 1330529758 /nfs/dbraw/zinc/52/97/58/1330529758.db2.gz WORYRLUNQHIIHG-UHFFFAOYSA-N 1 0 332.444 2.595 20 10 EFCDRO CN1CCN(c2ccc(C[N@@H+]3CCSC[C@H]3C3CC3)cc2F)CC1 ZINC001327953827 1330533835 /nfs/dbraw/zinc/53/38/35/1330533835.db2.gz ZMROLYXLENPVCT-IBGZPJMESA-N 1 0 349.519 2.905 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC001328660003 1330612799 /nfs/dbraw/zinc/61/27/99/1330612799.db2.gz RYVKDDQYHCKIQH-IBGZPJMESA-N 1 0 332.488 2.718 20 10 EFCDRO COC1([C@H](C)[NH2+]Cc2ccc(Br)cc2O)CCOCC1 ZINC001328759140 1330627350 /nfs/dbraw/zinc/62/73/50/1330627350.db2.gz LNTFUWJWKVULSN-NSHDSACASA-N 1 0 344.249 2.828 20 10 EFCDRO Cc1ccc(O)c(CNC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001328763503 1330627846 /nfs/dbraw/zinc/62/78/46/1330627846.db2.gz AWQHKRBSRRLMNL-IYBDPMFKSA-N 1 0 333.476 2.868 20 10 EFCDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC001328772035 1330630127 /nfs/dbraw/zinc/63/01/27/1330630127.db2.gz QSAAVIPEHIBRHN-VQTJNVASSA-N 1 0 337.467 2.714 20 10 EFCDRO O=C(NCc1ccc(N2CCCCC2)cc1)C12CCC[NH+]1CCC2 ZINC001329084187 1330664328 /nfs/dbraw/zinc/66/43/28/1330664328.db2.gz JOTVNVQUQUWIFG-UHFFFAOYSA-N 1 0 327.472 2.922 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+]CCCOC(C)(C)C)cc2F)CC1 ZINC001329559229 1330719105 /nfs/dbraw/zinc/71/91/05/1330719105.db2.gz YCOMLRWKWVHWAS-UHFFFAOYSA-N 1 0 337.483 2.872 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1C1CC1 ZINC001329633168 1330725523 /nfs/dbraw/zinc/72/55/23/1330725523.db2.gz YOBQOVKQGJWYHM-RBUKOAKNSA-N 1 0 328.456 2.918 20 10 EFCDRO C[NH2+][C@@H](C)CCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001331466522 1330840620 /nfs/dbraw/zinc/84/06/20/1330840620.db2.gz MDHLCMWWNJOMSG-INIZCTEOSA-N 1 0 332.492 2.816 20 10 EFCDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C12CCC2 ZINC001331469293 1330840770 /nfs/dbraw/zinc/84/07/70/1330840770.db2.gz GUDIAUQXUUACRU-OALUTQOASA-N 1 0 347.478 2.625 20 10 EFCDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1c(O)cccc1Br ZINC001331693436 1330867460 /nfs/dbraw/zinc/86/74/60/1330867460.db2.gz NQDGPGBNXYBYHW-AWEZNQCLSA-N 1 0 330.222 2.976 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)CC(C3CC3)C3CC3)cc2)CC1 ZINC001332673014 1330998492 /nfs/dbraw/zinc/99/84/92/1330998492.db2.gz DQQLBEMGJVTVFH-UHFFFAOYSA-N 1 0 341.499 2.881 20 10 EFCDRO Cc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)oc1C ZINC001332674856 1330999733 /nfs/dbraw/zinc/99/97/33/1330999733.db2.gz SKNAUVDZRRALDE-UHFFFAOYSA-N 1 0 327.428 2.578 20 10 EFCDRO COc1cc(OC)cc([C@@H](O)C[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC001332705583 1331005746 /nfs/dbraw/zinc/00/57/46/1331005746.db2.gz QQTRASVVUCJUTI-KRWDZBQOSA-N 1 0 347.411 2.550 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCC[C@@H](F)C3)cc2)CC1 ZINC001333488633 1331153648 /nfs/dbraw/zinc/15/36/48/1331153648.db2.gz JFIZTLNIESTSDE-SJORKVTESA-N 1 0 348.466 2.518 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c(O)c1OC ZINC001333679344 1331193583 /nfs/dbraw/zinc/19/35/83/1331193583.db2.gz GJWVUQPNBPISJV-JTQLQIEISA-N 1 0 343.383 2.842 20 10 EFCDRO Cc1occc1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001333694606 1331195755 /nfs/dbraw/zinc/19/57/55/1331195755.db2.gz GVZKJCNAKXXNIH-GOSISDBHSA-N 1 0 344.459 2.756 20 10 EFCDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC001333716015 1331199850 /nfs/dbraw/zinc/19/98/50/1331199850.db2.gz XQYUHZNAMHNABY-ZDUSSCGKSA-N 1 0 336.432 2.666 20 10 EFCDRO O=C1COc2ccccc2N1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001334108094 1331250242 /nfs/dbraw/zinc/25/02/42/1331250242.db2.gz IPASSCGFLGWSSK-UHFFFAOYSA-N 1 0 338.407 2.527 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C(=O)Nc2ccccc2)c(O)c1OC ZINC001334174824 1331260606 /nfs/dbraw/zinc/26/06/06/1331260606.db2.gz XLTKEGZRHYBXPZ-LBPRGKRZSA-N 1 0 330.384 2.526 20 10 EFCDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)NCc2ccc(N)cc2)cc1 ZINC001335538311 1331370082 /nfs/dbraw/zinc/37/00/82/1331370082.db2.gz QYSHTFVTJPEBLZ-GOSISDBHSA-N 1 0 326.444 2.891 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCCC(F)F)[NH+](C)C)cc1 ZINC001335561963 1331374404 /nfs/dbraw/zinc/37/44/04/1331374404.db2.gz XXVNMPNFNSBTMT-OAHLLOKOSA-N 1 0 342.434 2.700 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC3(C2)CCCC3)[NH+](C)C)cc1 ZINC001335582628 1331376887 /nfs/dbraw/zinc/37/68/87/1331376887.db2.gz NKRROUAUAWSKCJ-SFHVURJKSA-N 1 0 344.503 2.941 20 10 EFCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCc2ccc(N)cc2)C1 ZINC001335929185 1331417611 /nfs/dbraw/zinc/41/76/11/1331417611.db2.gz JRTHPAWCBHBKNJ-IYBDPMFKSA-N 1 0 332.492 2.826 20 10 EFCDRO Nc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC001336118651 1331437107 /nfs/dbraw/zinc/43/71/07/1331437107.db2.gz ZCGIOQFSWSOGLT-MRXNPFEDSA-N 1 0 325.460 2.966 20 10 EFCDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NCc3ccc(N)cc3)C2)cc1 ZINC001336160017 1331441141 /nfs/dbraw/zinc/44/11/41/1331441141.db2.gz QKYVWFIAVNBPNJ-IBGZPJMESA-N 1 0 338.455 2.651 20 10 EFCDRO Nc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC001336287259 1331454993 /nfs/dbraw/zinc/45/49/93/1331454993.db2.gz ZRSVHPHQDBYRBV-UHFFFAOYSA-N 1 0 325.412 2.825 20 10 EFCDRO COC(=O)c1ccc(N2CC[N@H+](Cc3ccc(N)cc3)[C@H](C)C2)cc1 ZINC001336284916 1331455157 /nfs/dbraw/zinc/45/51/57/1331455157.db2.gz DSSBOVCVFWOJCB-OAHLLOKOSA-N 1 0 339.439 2.766 20 10 EFCDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001336698630 1331493933 /nfs/dbraw/zinc/49/39/33/1331493933.db2.gz SNPJOCUIEBNLIS-SCLBCKFNSA-N 1 0 337.416 2.621 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](CC[NH3+])C3)cc2)CC1 ZINC001336811734 1331504889 /nfs/dbraw/zinc/50/48/89/1331504889.db2.gz SIRCMWLUXHNVHV-GOSISDBHSA-N 1 0 344.503 2.803 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCOC(C)(C)C2)[NH+](C)C)cc1 ZINC001337459714 1331577078 /nfs/dbraw/zinc/57/70/78/1331577078.db2.gz RPOVJKDWOYJERX-FUHWJXTLSA-N 1 0 347.503 2.677 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1O ZINC001338250122 1331679563 /nfs/dbraw/zinc/67/95/63/1331679563.db2.gz KAQVCFPTJPYIPC-OAHLLOKOSA-N 1 0 329.444 2.897 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C/c2nccs2)[NH+](C)C)cc1 ZINC001339018614 1331770647 /nfs/dbraw/zinc/77/06/47/1331770647.db2.gz OGBVCSVCFYUJGB-SCOAYWHSSA-N 1 0 344.484 2.641 20 10 EFCDRO Cn1c(C2SC=CC2=O)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001339453127 1331870576 /nfs/dbraw/zinc/87/05/76/1331870576.db2.gz CWZVYAYRRSXYOS-ZDUSSCGKSA-N 1 0 347.488 2.561 20 10 EFCDRO CCOc1ccc(N2CCN(CC[NH+]3CCC(C)CC3)CC2)cc1 ZINC001341377191 1332255876 /nfs/dbraw/zinc/25/58/76/1332255876.db2.gz QQISRPMEZIGIEH-UHFFFAOYSA-N 1 0 331.504 2.939 20 10 EFCDRO CCC[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC001341524447 1332265507 /nfs/dbraw/zinc/26/55/07/1332265507.db2.gz SPHXBXQVHMAEEM-SFHVURJKSA-N 1 0 336.501 2.686 20 10 EFCDRO CC[C@H](C)C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001341571221 1332268836 /nfs/dbraw/zinc/26/88/36/1332268836.db2.gz MPXGRLNOLMFICU-WMLDXEAASA-N 1 0 335.517 2.620 20 10 EFCDRO CC[NH+](CC)CC[C@@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC001342707436 1332335589 /nfs/dbraw/zinc/33/55/89/1332335589.db2.gz NJPUHHZDDYHHQJ-KGLIPLIRSA-N 1 0 337.464 2.881 20 10 EFCDRO CC[NH+](CC)CC[C@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC001342707432 1332335749 /nfs/dbraw/zinc/33/57/49/1332335749.db2.gz NJPUHHZDDYHHQJ-KBPBESRZSA-N 1 0 337.464 2.881 20 10 EFCDRO CCC1(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCOCC1 ZINC001343747915 1332375656 /nfs/dbraw/zinc/37/56/56/1332375656.db2.gz GLMVNJDRTVLOHS-UHFFFAOYSA-N 1 0 349.494 2.874 20 10 EFCDRO OC[C@@]1([C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C2CC2)CCCO1 ZINC001343972237 1332394637 /nfs/dbraw/zinc/39/46/37/1332394637.db2.gz BXMSVXOAKZFWBL-VQTJNVASSA-N 1 0 330.472 2.697 20 10 EFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@](C)(CO)C3)cc2)CC1 ZINC001344122718 1332404075 /nfs/dbraw/zinc/40/40/75/1332404075.db2.gz BDINMGSHWQDLII-HXUWFJFHSA-N 1 0 332.488 2.896 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)C(C)(C)CN1CCOCC1 ZINC001345075790 1332506963 /nfs/dbraw/zinc/50/69/63/1332506963.db2.gz BEBIIKMPCQCYPD-UHFFFAOYSA-N 1 0 331.504 2.829 20 10 EFCDRO Nc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC001345159092 1332514250 /nfs/dbraw/zinc/51/42/50/1332514250.db2.gz AYEIHMSSCMMLGM-UHFFFAOYSA-N 1 0 327.403 2.756 20 10 EFCDRO C[C@H](OC1CCCCC1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001345813492 1332575410 /nfs/dbraw/zinc/57/54/10/1332575410.db2.gz USCOTJNRSDECTQ-KBXCAEBGSA-N 1 0 333.476 2.606 20 10 EFCDRO C[NH2+][C@@H](C)CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC001346306304 1332624109 /nfs/dbraw/zinc/62/41/09/1332624109.db2.gz FLYLTAHVIVLHCP-ZDUSSCGKSA-N 1 0 331.460 2.632 20 10 EFCDRO CCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)C1CC[NH2+]CC1 ZINC001346450522 1332642735 /nfs/dbraw/zinc/64/27/35/1332642735.db2.gz GTYYEPAEFJDLIY-UHFFFAOYSA-N 1 0 326.444 2.703 20 10 EFCDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3ccc(N)cc3)C2)CC1 ZINC001346738346 1332680438 /nfs/dbraw/zinc/68/04/38/1332680438.db2.gz GLQOFSSSLOYZEY-SFHVURJKSA-N 1 0 344.503 2.922 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@H+]2C1 ZINC001348861156 1332877650 /nfs/dbraw/zinc/87/76/50/1332877650.db2.gz QLNCPBBQSMTSOW-POZUXBRTSA-N 1 0 329.488 2.798 20 10 EFCDRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCOc4cc(N(C)C)ccc43)C[N@@H+]2C1 ZINC001349147749 1332911878 /nfs/dbraw/zinc/91/18/78/1332911878.db2.gz QENQQLGRMDIGAL-INMHGKMJSA-N 1 0 343.471 2.598 20 10 EFCDRO COCC1([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCCC1 ZINC001350583689 1333099795 /nfs/dbraw/zinc/09/97/95/1333099795.db2.gz NVIAAZLIMXCOBY-UHFFFAOYSA-N 1 0 335.467 2.626 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)COC(C)(C)C)CC2)cc1C ZINC001200163000 1333793910 /nfs/dbraw/zinc/79/39/10/1333793910.db2.gz BWQUBFQVZGJBFT-UHFFFAOYSA-N 1 0 348.487 2.899 20 10 EFCDRO CCCCOCC(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001100207970 1333882568 /nfs/dbraw/zinc/88/25/68/1333882568.db2.gz MRXGJBPGBWCHFQ-UHFFFAOYSA-N 1 0 348.487 2.805 20 10 EFCDRO CCO/C=C\C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000847590971 1333962312 /nfs/dbraw/zinc/96/23/12/1333962312.db2.gz LTEWOCRVTSRUCV-SOIVGHGOSA-N 1 0 338.835 2.676 20 10 EFCDRO C[C@@H](CNC(=O)NCc1ccc(N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001353299792 1334071939 /nfs/dbraw/zinc/07/19/39/1334071939.db2.gz IFDGBRRHLKZKBP-HNNXBMFYSA-N 1 0 338.455 2.515 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H](OC)C(C)C)C2)cc1C ZINC001100642566 1334471466 /nfs/dbraw/zinc/47/14/66/1334471466.db2.gz DCBMPDOZXFQYHH-TVPLGVNVSA-N 1 0 348.487 2.659 20 10 EFCDRO CC(=O)OC[C@H](C)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001355255121 1334725543 /nfs/dbraw/zinc/72/55/43/1334725543.db2.gz UNXINNJODYUFEL-BLLLJJGKSA-N 1 0 340.851 2.551 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)c(O)c1OC ZINC001355255007 1334725743 /nfs/dbraw/zinc/72/57/43/1334725743.db2.gz RLRPOBMDFQDFHV-ZBEGNZNMSA-N 1 0 335.375 2.760 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCCn2ccnc21)c1ccc(N2CCOCC2)cc1 ZINC000848526784 1334774949 /nfs/dbraw/zinc/77/49/49/1334774949.db2.gz HOUZBQDTFOUUOG-QAPCUYQASA-N 1 0 326.444 2.905 20 10 EFCDRO CN1CCCc2cc(C[NH2+]C3CCN(C[C@@H]4CCCO4)CC3)ccc21 ZINC000848525615 1334775411 /nfs/dbraw/zinc/77/54/11/1334775411.db2.gz OQPFIRUVKYSYGG-FQEVSTJZSA-N 1 0 343.515 2.802 20 10 EFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC[C@H]2O)c1O ZINC000848552896 1334791431 /nfs/dbraw/zinc/79/14/31/1334791431.db2.gz PMUVBEBDGCRBOL-XXILOJSOSA-N 1 0 330.222 2.727 20 10 EFCDRO CC(C)[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)C(=O)OC(C)(C)C ZINC000848564691 1334797595 /nfs/dbraw/zinc/79/75/95/1334797595.db2.gz BPCIRCMTBAOJJG-ZDUSSCGKSA-N 1 0 337.416 2.824 20 10 EFCDRO CCc1cccc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)c1O ZINC000848881401 1334958335 /nfs/dbraw/zinc/95/83/35/1334958335.db2.gz OKAFPJYWKSWZDP-KRWDZBQOSA-N 1 0 328.412 2.828 20 10 EFCDRO CCc1cccc(C[N@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000848883208 1334960080 /nfs/dbraw/zinc/96/00/80/1334960080.db2.gz KUICBBQEOZEQDQ-ZDUSSCGKSA-N 1 0 348.468 2.795 20 10 EFCDRO CCc1cccc(C[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)c1O ZINC000848887377 1334963115 /nfs/dbraw/zinc/96/31/15/1334963115.db2.gz UUOKWTAKJIAIKD-ZDUSSCGKSA-N 1 0 330.350 2.550 20 10 EFCDRO CCc1cccc(C[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c1O ZINC000848894709 1334967314 /nfs/dbraw/zinc/96/73/14/1334967314.db2.gz HKXGPLVJWABDQY-AWEZNQCLSA-N 1 0 337.366 2.762 20 10 EFCDRO CCc1cccc(C[NH2+]CCCc2nnc3n2CCCCC3)c1O ZINC000848895112 1334968691 /nfs/dbraw/zinc/96/86/91/1334968691.db2.gz PNRKJBSSIQCWEQ-UHFFFAOYSA-N 1 0 328.460 2.995 20 10 EFCDRO CCc1cccc(C[NH2+]CCNC(=O)c2c(F)cccc2F)c1O ZINC000848897920 1334970698 /nfs/dbraw/zinc/97/06/98/1334970698.db2.gz WLHPONZPJMGOHU-UHFFFAOYSA-N 1 0 334.366 2.752 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)c1O ZINC000848919242 1334986363 /nfs/dbraw/zinc/98/63/63/1334986363.db2.gz UDVLRXJOHWPLAO-QGZVFWFLSA-N 1 0 332.444 2.528 20 10 EFCDRO CCC(C)(C)[NH+]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000848925254 1334991164 /nfs/dbraw/zinc/99/11/64/1334991164.db2.gz QYDGQDCGYDXONY-UHFFFAOYSA-N 1 0 349.494 2.969 20 10 EFCDRO C[C@@H]1CN(c2ccc(CNC(=[NH2+])NCC3CCC3)cc2F)C[C@H](C)O1 ZINC000849069604 1335068686 /nfs/dbraw/zinc/06/86/86/1335068686.db2.gz OAKUUGKNFNMPJE-OKILXGFUSA-N 1 0 348.466 2.853 20 10 EFCDRO COc1ccc(CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)c(O)c1 ZINC000849094524 1335074891 /nfs/dbraw/zinc/07/48/91/1335074891.db2.gz AAZICDBDZRCRSX-UHFFFAOYSA-N 1 0 331.372 2.554 20 10 EFCDRO CN(c1ccc(CNC(=O)C23CC(C2)C[NH2+]3)cc1)C1CCCCC1 ZINC001357385760 1335306144 /nfs/dbraw/zinc/30/61/44/1335306144.db2.gz ZMATUYMDCBXESK-UHFFFAOYSA-N 1 0 327.472 2.824 20 10 EFCDRO CC1CCC([NH+]2CCN(C(=O)NCc3ccc(N)cc3)CC2)CC1 ZINC001357792437 1335333651 /nfs/dbraw/zinc/33/36/51/1335333651.db2.gz XRXQOBVFQLWXSA-UHFFFAOYSA-N 1 0 330.476 2.675 20 10 EFCDRO Cc1cc(C(=O)NC[C@@H]2CCCCC[NH2+]2)c(C)n1-c1ccccn1 ZINC001358473757 1335380231 /nfs/dbraw/zinc/38/02/31/1335380231.db2.gz DGJXVTUSNFNXDQ-INIZCTEOSA-N 1 0 326.444 2.751 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3c(Cl)cc[nH]c3=O)cc2)CC1 ZINC000849347986 1335596165 /nfs/dbraw/zinc/59/61/65/1335596165.db2.gz WKAOMDAAJOZFKJ-UHFFFAOYSA-N 1 0 332.835 2.805 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc(F)c[nH]3)C2)cc1C ZINC001020403118 712944539 /nfs/dbraw/zinc/94/45/39/712944539.db2.gz AWLURCQVIDNGTO-SHTZXODSSA-N 1 0 331.391 2.521 20 10 EFCDRO CC[N@@H+]1CCN(Cc2cc(Br)cc(C)c2O)C[C@H]1C ZINC000252729709 712962647 /nfs/dbraw/zinc/96/26/47/712962647.db2.gz HYQGZTYWRJSEQH-GFCCVEGCSA-N 1 0 327.266 2.989 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)cc1C ZINC000969669707 713213869 /nfs/dbraw/zinc/21/38/69/713213869.db2.gz DNZDFRJVSBXGMV-VSZNYVQBSA-N 1 0 328.456 2.740 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCC3)C2)cc1 ZINC001021112099 713586537 /nfs/dbraw/zinc/58/65/37/713586537.db2.gz WALUZKORRVVAPA-WKILWMFISA-N 1 0 343.431 2.890 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc(Cl)no3)C2)cc1C ZINC000970542941 713790628 /nfs/dbraw/zinc/79/06/28/713790628.db2.gz HYXBKONPBJZSOX-CYBMUJFWSA-N 1 0 349.818 2.649 20 10 EFCDRO CCC(CC)[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)N(C)C ZINC000074337433 713832001 /nfs/dbraw/zinc/83/20/01/713832001.db2.gz KCGGLBNFBZHGRI-FQEVSTJZSA-N 1 0 333.520 2.979 20 10 EFCDRO Oc1cc2c(cc1CN1CC[NH+](C3CCOCC3)CC1)CCCC2 ZINC000160347857 713934458 /nfs/dbraw/zinc/93/44/58/713934458.db2.gz PBLUEXMUQPQVBK-UHFFFAOYSA-N 1 0 330.472 2.568 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[C@@H]3CCCOC3)C2)cc1C ZINC000970735637 713943456 /nfs/dbraw/zinc/94/34/56/713943456.db2.gz AKAQLYJPKHFYNA-ZWKOTPCHSA-N 1 0 346.471 2.511 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCF)cc1 ZINC001021470348 713950154 /nfs/dbraw/zinc/95/01/54/713950154.db2.gz PFJLGSKYGKUDHM-GOOCMWNKSA-N 1 0 347.394 2.544 20 10 EFCDRO CN1C(=O)/C(=C\c2ccc(OCC[NH+]3CCCC3)cc2)SC1=S ZINC000047548931 714099488 /nfs/dbraw/zinc/09/94/88/714099488.db2.gz MDQFRUOTAKFTMY-NTCAYCPXSA-N 1 0 348.493 2.992 20 10 EFCDRO Cc1nsc(C)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246277 714132576 /nfs/dbraw/zinc/13/25/76/714132576.db2.gz BUHMDSXWUSVFEU-INIZCTEOSA-N 1 0 346.500 2.859 20 10 EFCDRO Cc1nc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)sc1C ZINC000891246733 714132926 /nfs/dbraw/zinc/13/29/26/714132926.db2.gz CLEFHCXQVAROSC-MRXNPFEDSA-N 1 0 346.500 2.859 20 10 EFCDRO COCCC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246756 714133082 /nfs/dbraw/zinc/13/30/82/714133082.db2.gz CYNHDVCVVXMZPU-KRWDZBQOSA-N 1 0 335.492 2.534 20 10 EFCDRO CO[C@@H]1CCC[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891247097 714134703 /nfs/dbraw/zinc/13/47/03/714134703.db2.gz HJYJGOBXDCJRLK-BHIYHBOVSA-N 1 0 347.503 2.677 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)C(C)(Cl)Cl)[NH+](C)C)cc1 ZINC000891248341 714136015 /nfs/dbraw/zinc/13/60/15/714136015.db2.gz KWEDNKSRSDKKFA-CYBMUJFWSA-N 1 0 332.275 2.665 20 10 EFCDRO CCc1c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)ccn1C ZINC000891247808 714136454 /nfs/dbraw/zinc/13/64/54/714136454.db2.gz KOVSCGCSKGEFCX-IBGZPJMESA-N 1 0 342.487 2.686 20 10 EFCDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247842 714136553 /nfs/dbraw/zinc/13/65/53/714136553.db2.gz VOZRYDQCURQLKJ-ZWHCBUBPSA-N 1 0 347.503 2.531 20 10 EFCDRO CO[C@H](CC(C)C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248945 714139980 /nfs/dbraw/zinc/13/99/80/714139980.db2.gz OZBTXMFJCGCWNK-QZTJIDSGSA-N 1 0 335.492 2.533 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@]2(C)CC2(F)F)[NH+](C)C)cc1 ZINC000891250609 714140584 /nfs/dbraw/zinc/14/05/84/714140584.db2.gz YFVGXIOVPKKFCF-GOEBONIOSA-N 1 0 325.403 2.517 20 10 EFCDRO CCC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCOCC1 ZINC000891250135 714141928 /nfs/dbraw/zinc/14/19/28/714141928.db2.gz ZNTFMCOUTHLQRB-GOSISDBHSA-N 1 0 347.503 2.678 20 10 EFCDRO CC(C)c1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)on1 ZINC000891251853 714145573 /nfs/dbraw/zinc/14/55/73/714145573.db2.gz HOOBKPJXBIJFSJ-KRWDZBQOSA-N 1 0 344.459 2.897 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2csc(C=O)c2)[NH+](C)C)cc1 ZINC000891251860 714145614 /nfs/dbraw/zinc/14/56/14/714145614.db2.gz HQKXAVNKBRIAAG-KRWDZBQOSA-N 1 0 345.468 2.659 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)C2CC(F)(F)C2)[NH+](C)C)cc1 ZINC000891252360 714146783 /nfs/dbraw/zinc/14/67/83/714146783.db2.gz JXHPTADGXLIPHA-HNNXBMFYSA-N 1 0 325.403 2.517 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)CC[C@H]2CCCCO2)[NH+](C)C)cc1 ZINC000891252329 714146973 /nfs/dbraw/zinc/14/69/73/714146973.db2.gz JKPZDOXJWVCOLI-RTBURBONSA-N 1 0 347.503 2.821 20 10 EFCDRO COCCC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCC1 ZINC000891253871 714148003 /nfs/dbraw/zinc/14/80/03/714148003.db2.gz UYSMWYRFAAMIGA-SFHVURJKSA-N 1 0 347.503 2.678 20 10 EFCDRO CNc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254770 714150131 /nfs/dbraw/zinc/15/01/31/714150131.db2.gz JDYWDVOCZXPMPT-IBGZPJMESA-N 1 0 340.471 2.827 20 10 EFCDRO CCc1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000891256278 714150663 /nfs/dbraw/zinc/15/06/63/714150663.db2.gz WXAXIXJVFQYYBZ-HNNXBMFYSA-N 1 0 346.500 2.804 20 10 EFCDRO Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)n1C ZINC000891255503 714151837 /nfs/dbraw/zinc/15/18/37/714151837.db2.gz QMCNNYXJUFMDHS-LJQANCHMSA-N 1 0 342.487 2.741 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C/c2ccco2)[NH+](C)C)cc1 ZINC000891258111 714152125 /nfs/dbraw/zinc/15/21/25/714152125.db2.gz NREUJMIXAISXTF-DXRVJIQQSA-N 1 0 327.428 2.778 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2ccccc2F)[NH+](C)C)cc1 ZINC000891258425 714153336 /nfs/dbraw/zinc/15/33/36/714153336.db2.gz SMQYARFLEQKOCU-LJQANCHMSA-N 1 0 343.446 2.853 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](Cn3ccnn3)C1)CCCC2 ZINC000160474028 714168029 /nfs/dbraw/zinc/16/80/29/714168029.db2.gz SNSRRIGDTDTCCF-OAHLLOKOSA-N 1 0 326.444 2.775 20 10 EFCDRO CC1(C)CCC(O)(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000325836051 714182094 /nfs/dbraw/zinc/18/20/94/714182094.db2.gz XLCNEIAUJBWYDS-UHFFFAOYSA-N 1 0 332.488 2.944 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160766148 714463830 /nfs/dbraw/zinc/46/38/30/714463830.db2.gz UDVJJVBZQSHQTI-SFHVURJKSA-N 1 0 344.503 2.768 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000160784770 714476977 /nfs/dbraw/zinc/47/69/77/714476977.db2.gz LDSCGDJFQXYBJC-MRXNPFEDSA-N 1 0 339.439 2.813 20 10 EFCDRO CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]2C1 ZINC000980251896 717981167 /nfs/dbraw/zinc/98/11/67/717981167.db2.gz HBLAPUNQLLBRFE-LZWOXQAQSA-N 1 0 343.431 2.699 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cncc(C)c3)C2)cc1C ZINC001021926341 714600250 /nfs/dbraw/zinc/60/02/50/714600250.db2.gz JFHNEURJIVLKHN-HDICACEKSA-N 1 0 339.439 2.758 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc[nH]c3C)C2)cc1C ZINC001021950371 714613326 /nfs/dbraw/zinc/61/33/26/714613326.db2.gz VOXSVEMQXAUXAW-IYBDPMFKSA-N 1 0 327.428 2.691 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ncccc3C)C2)cc1C ZINC001021950180 714613466 /nfs/dbraw/zinc/61/34/66/714613466.db2.gz QPQDGQWJBUOZAX-CALCHBBNSA-N 1 0 339.439 2.758 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@H]3CCCCO3)C2)cc1C ZINC001021955889 714614961 /nfs/dbraw/zinc/61/49/61/714614961.db2.gz MPXNYZCJWNQOOT-FGTMMUONSA-N 1 0 346.471 2.700 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3ccoc3)C2)cc1C ZINC001022006112 714641943 /nfs/dbraw/zinc/64/19/43/714641943.db2.gz WYEXDPQUZYTRFA-CALCHBBNSA-N 1 0 328.412 2.576 20 10 EFCDRO COc1ccc(OC)c(C[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000892501803 717993974 /nfs/dbraw/zinc/99/39/74/717993974.db2.gz DYBZYBRPALIDFY-UHFFFAOYSA-N 1 0 333.384 2.716 20 10 EFCDRO CCn1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000891527182 714802672 /nfs/dbraw/zinc/80/26/72/714802672.db2.gz VJLGEUUGYXVWRO-UHFFFAOYSA-N 1 0 328.460 2.680 20 10 EFCDRO Cn1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C2CC2)n1 ZINC000891527185 714802837 /nfs/dbraw/zinc/80/28/37/714802837.db2.gz VQTDQKFVRXYSLQ-UHFFFAOYSA-N 1 0 340.471 2.766 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000891533490 714804475 /nfs/dbraw/zinc/80/44/75/714804475.db2.gz ZAZVIZSERAYKAU-HDICACEKSA-N 1 0 342.487 2.569 20 10 EFCDRO CN(C)c1ccc(C[N@H+](Cc2cnc3n2CCOC3)C2CC2)cc1 ZINC000891596129 714842793 /nfs/dbraw/zinc/84/27/93/714842793.db2.gz MEBRWUVWQASOMG-UHFFFAOYSA-N 1 0 326.444 2.644 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)c3cocn3)C2)cc1C ZINC000980971039 718024999 /nfs/dbraw/zinc/02/49/99/718024999.db2.gz AHDWSQQBYCLDRC-CVEARBPZSA-N 1 0 343.427 2.822 20 10 EFCDRO CN(CCCC[NH+]1CCCCC1)C(=O)NCCc1ccc(N)cc1 ZINC000892038914 715229500 /nfs/dbraw/zinc/22/95/00/715229500.db2.gz KHHVEDMSUANACC-UHFFFAOYSA-N 1 0 332.492 2.719 20 10 EFCDRO Oc1cc2c(cc1C[N@H+](CCc1ccccc1)[C@H]1CCOC1)OCO2 ZINC000084481748 715233159 /nfs/dbraw/zinc/23/31/59/715233159.db2.gz WXIJVVSVRIVXAP-KRWDZBQOSA-N 1 0 341.407 2.955 20 10 EFCDRO COc1ccc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c(O)c1OC ZINC000892105256 715254996 /nfs/dbraw/zinc/25/49/96/715254996.db2.gz YISYUHLDCYHNTP-UHFFFAOYSA-N 1 0 339.395 2.885 20 10 EFCDRO COc1ccc(C[N@H+](C)CCC(=O)OC(C)(C)C)c(O)c1OC ZINC000892119325 715262422 /nfs/dbraw/zinc/26/24/22/715262422.db2.gz ARZRHYHXLLJOMB-UHFFFAOYSA-N 1 0 325.405 2.573 20 10 EFCDRO COc1ccc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c(O)c1OC ZINC000892125982 715264921 /nfs/dbraw/zinc/26/49/21/715264921.db2.gz SSIBQSLOADELJM-XMMPIXPASA-N 1 0 349.452 2.779 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C)[C@@H]3CCCO3)C2)cc1C ZINC001022679034 715292201 /nfs/dbraw/zinc/29/22/01/715292201.db2.gz UISKWXLQXIWHPC-RMRDIRSESA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)Cc3ccc[nH]3)C2)cc1C ZINC001027228122 715934528 /nfs/dbraw/zinc/93/45/28/715934528.db2.gz KNKSUEGYOOHQIX-QGZVFWFLSA-N 1 0 341.455 2.513 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3ccc[nH]3)C2)cc1C ZINC001027228121 715934676 /nfs/dbraw/zinc/93/46/76/715934676.db2.gz KNKSUEGYOOHQIX-KRWDZBQOSA-N 1 0 341.455 2.513 20 10 EFCDRO COc1cccc2c1CC[N@H+](Cc1ccc(OC)c(OC)c1O)C2 ZINC000893499893 716126032 /nfs/dbraw/zinc/12/60/32/716126032.db2.gz VUPBIQNJPYMGFK-UHFFFAOYSA-N 1 0 329.396 2.976 20 10 EFCDRO CCCCCNC(=O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052465473 716197129 /nfs/dbraw/zinc/19/71/29/716197129.db2.gz FALSAPOFACHTSX-UHFFFAOYSA-N 1 0 333.476 2.514 20 10 EFCDRO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](OC)C2)c1O ZINC000091772308 716326170 /nfs/dbraw/zinc/32/61/70/716326170.db2.gz LLPISADTPRSMOW-GFCCVEGCSA-N 1 0 330.222 2.774 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cn(C)nc2C2CC2)cc1 ZINC000895153140 723475629 /nfs/dbraw/zinc/47/56/29/723475629.db2.gz RDOCGOHHWKNQEO-UHFFFAOYSA-N 1 0 328.460 2.874 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CN(C(=O)CC(C)C)CCO2)cc1C ZINC000979195665 716791506 /nfs/dbraw/zinc/79/15/06/716791506.db2.gz DPAQMLSQBSZEGO-VQIMIIECSA-N 1 0 348.487 2.755 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)c3ccon3)C2)cc1C ZINC000980410209 717227028 /nfs/dbraw/zinc/22/70/28/717227028.db2.gz MUBNYTKMGLOUFD-GOEBONIOSA-N 1 0 343.427 2.632 20 10 EFCDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000162892370 717350167 /nfs/dbraw/zinc/35/01/67/717350167.db2.gz VSDKWEYVEDRLCH-SFHVURJKSA-N 1 0 346.519 2.920 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3cccs3)cc2)CC1 ZINC000893608179 717375225 /nfs/dbraw/zinc/37/52/25/717375225.db2.gz RJKLHLBCNQWBBH-CMDGGOBGSA-N 1 0 341.480 2.830 20 10 EFCDRO C[N@H+](CC1CCC1)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980510093 717377130 /nfs/dbraw/zinc/37/71/30/717377130.db2.gz GCAZVMMNVYVPJY-MRXNPFEDSA-N 1 0 343.431 2.795 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c(O)c1OC ZINC000892430853 717406970 /nfs/dbraw/zinc/40/69/70/717406970.db2.gz LRSJJJKMABHSIO-OAHLLOKOSA-N 1 0 346.427 2.929 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccccc1O ZINC000310080036 717423872 /nfs/dbraw/zinc/42/38/72/717423872.db2.gz UQCLXQKAZBUCEB-ZIAGYGMSSA-N 1 0 336.432 2.679 20 10 EFCDRO COc1ccc(N2CCCN(C(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)CC2)cc1 ZINC000895809449 724320218 /nfs/dbraw/zinc/32/02/18/724320218.db2.gz KMCVSJZDPCSIRI-SFHVURJKSA-N 1 0 345.487 2.607 20 10 EFCDRO O=C(NC1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1)C1CC1 ZINC000179438267 717462259 /nfs/dbraw/zinc/46/22/59/717462259.db2.gz KIJFLBASAKCKPL-UHFFFAOYSA-N 1 0 328.456 2.762 20 10 EFCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000304300585 724450795 /nfs/dbraw/zinc/45/07/95/724450795.db2.gz OIIHTQRYMAONKQ-SFHVURJKSA-N 1 0 332.469 2.582 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)CSC)C2)cc1C ZINC000980344677 718087319 /nfs/dbraw/zinc/08/73/19/718087319.db2.gz MVABKXBVCQYELR-HOCLYGCPSA-N 1 0 336.501 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)c3ncc[nH]3)C2)cc1C ZINC000981075043 718110488 /nfs/dbraw/zinc/11/04/88/718110488.db2.gz HHXIWKMDENQMJP-JKSUJKDBSA-N 1 0 342.443 2.558 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CC2)cc1 ZINC001024820476 718177146 /nfs/dbraw/zinc/17/71/46/718177146.db2.gz ZQLRVLNBBKIKNF-INIZCTEOSA-N 1 0 343.431 2.843 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)c2cn[nH]c2)cc1C ZINC001024884366 718205076 /nfs/dbraw/zinc/20/50/76/718205076.db2.gz IEWIHFZVUXLGMZ-QGZVFWFLSA-N 1 0 342.443 2.511 20 10 EFCDRO CC[C@H](CO)Nc1cc(NCc2ccc(N(C)C)cc2C)ncn1 ZINC000892564072 718287687 /nfs/dbraw/zinc/28/76/87/718287687.db2.gz LOCCYRBAVJPQNB-OAHLLOKOSA-N 1 0 329.448 2.646 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)nc1 ZINC000892612176 718340953 /nfs/dbraw/zinc/34/09/53/718340953.db2.gz FYGPBGZVCCHRTI-UHFFFAOYSA-N 1 0 329.469 2.933 20 10 EFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)[C@H]1OC ZINC000892612635 718341415 /nfs/dbraw/zinc/34/14/15/718341415.db2.gz KBDGGTKYNWTMBC-RCCFBDPRSA-N 1 0 336.501 2.522 20 10 EFCDRO CC(C)[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029912803 724508247 /nfs/dbraw/zinc/50/82/47/724508247.db2.gz RRUSDUQYSVEUHM-ZDUSSCGKSA-N 1 0 331.420 2.651 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)c3cnco3)C2)cc1C ZINC000981255659 718571566 /nfs/dbraw/zinc/57/15/66/718571566.db2.gz ZLFIBHRESYYGLE-HOTGVXAUSA-N 1 0 343.427 2.822 20 10 EFCDRO COc1ccc(N2CCN(C(=O)[C@@H]([NH3+])CC3CCCCC3)CC2)cc1 ZINC000327820302 718607287 /nfs/dbraw/zinc/60/72/87/718607287.db2.gz MQPYTSMBLNKHCQ-IBGZPJMESA-N 1 0 345.487 2.642 20 10 EFCDRO CCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000981542315 718800445 /nfs/dbraw/zinc/80/04/45/718800445.db2.gz UDSLGMKRKXUTSF-CABCVRRESA-N 1 0 331.420 2.890 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCC[C@H]([NH2+]CC3CC3)C2)cc1 ZINC000981542982 718801163 /nfs/dbraw/zinc/80/11/63/718801163.db2.gz YPOSRLCBDUDHKK-HOTGVXAUSA-N 1 0 343.431 2.890 20 10 EFCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CCC2)c(O)c1 ZINC000840890377 718912494 /nfs/dbraw/zinc/91/24/94/718912494.db2.gz NBNROIUHMPAGEM-CQSZACIVSA-N 1 0 325.474 2.875 20 10 EFCDRO COc1ccc(C[NH2+]CCN2CCc3ccccc32)c(O)c1OC ZINC000892711350 718918843 /nfs/dbraw/zinc/91/88/43/718918843.db2.gz IWBISCVBXNLBOP-UHFFFAOYSA-N 1 0 328.412 2.562 20 10 EFCDRO CCOC(=O)c1ncc(C[NH2+]Cc2ccc3c(c2)CCCN3C)s1 ZINC000892732101 719074753 /nfs/dbraw/zinc/07/47/53/719074753.db2.gz FUCPWYOEALPHEH-UHFFFAOYSA-N 1 0 345.468 2.992 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c(O)c1OC ZINC000892737510 719092119 /nfs/dbraw/zinc/09/21/19/719092119.db2.gz DMINLYUJSZYFJZ-UHFFFAOYSA-N 1 0 334.391 2.904 20 10 EFCDRO COc1c(O)ccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1[N+](=O)[O-] ZINC000892793953 719185146 /nfs/dbraw/zinc/18/51/46/719185146.db2.gz PCWHXMVIOISAIE-UHFFFAOYSA-N 1 0 330.340 2.534 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)OCCCO3)c(O)c1OC ZINC000892861934 719241887 /nfs/dbraw/zinc/24/18/87/719241887.db2.gz YYRWBSOOKMYFQR-UHFFFAOYSA-N 1 0 345.395 2.861 20 10 EFCDRO CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001025631452 719259364 /nfs/dbraw/zinc/25/93/64/719259364.db2.gz BJRKOEYTYSUCBM-GXTWGEPZSA-N 1 0 331.420 2.699 20 10 EFCDRO C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCC[N@H+](CCF)C1 ZINC001025631697 719259656 /nfs/dbraw/zinc/25/96/56/719259656.db2.gz DEWAMEIJKZATSX-GXTWGEPZSA-N 1 0 349.410 2.649 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3coc(C)n3)[C@@H]2C)cc1C ZINC000986201102 724577557 /nfs/dbraw/zinc/57/75/57/724577557.db2.gz LLACSFVMROUPGY-CZUORRHYSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](O)c2c(F)cccc2F)c(O)c1OC ZINC000893017557 719468660 /nfs/dbraw/zinc/46/86/60/719468660.db2.gz FPZZNNYXDBTRMS-CYBMUJFWSA-N 1 0 339.338 2.511 20 10 EFCDRO CC(C)[N@@H+]1CCCC2(CN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC000982166854 719622533 /nfs/dbraw/zinc/62/25/33/719622533.db2.gz QLDGCPPEAKTXTE-UHFFFAOYSA-N 1 0 343.431 2.795 20 10 EFCDRO C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261562192 719630492 /nfs/dbraw/zinc/63/04/92/719630492.db2.gz GJEOIQYJJSSLPI-APWZRJJASA-N 1 0 337.467 2.838 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1CCCC[C@H]1CC)cc2=O ZINC000163270391 724615292 /nfs/dbraw/zinc/61/52/92/724615292.db2.gz YYHHRKZKJUUZIO-DOMZBBRYSA-N 1 0 346.431 2.670 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)C(C)C)C[C@@H]32)cc1C ZINC001026200963 719915886 /nfs/dbraw/zinc/91/58/86/719915886.db2.gz OQICUOFQVKWPNX-OKZBNKHCSA-N 1 0 330.472 2.986 20 10 EFCDRO CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3c[nH]nc3C)cc2F)CC1 ZINC000180498443 719942434 /nfs/dbraw/zinc/94/24/34/719942434.db2.gz LJYFSDUGYIZEHR-CQSZACIVSA-N 1 0 345.466 2.850 20 10 EFCDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000182349675 720118234 /nfs/dbraw/zinc/11/82/34/720118234.db2.gz HTDHPIAKKNGMGQ-GFCCVEGCSA-N 1 0 330.384 2.699 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N([C@@H](C)C2CC2)C2CC2)c1 ZINC000182414022 720126679 /nfs/dbraw/zinc/12/66/79/720126679.db2.gz DFMXFRVZAMXEBC-STQMWFEESA-N 1 0 332.444 2.841 20 10 EFCDRO Cc1csc(N2CCN(Cc3cc(F)cc(F)c3[O-])CC2)n1 ZINC000893941090 720172198 /nfs/dbraw/zinc/17/21/98/720172198.db2.gz WHWBRHPHEOUQPN-UHFFFAOYSA-N 1 0 325.384 2.758 20 10 EFCDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000182909663 720194412 /nfs/dbraw/zinc/19/44/12/720194412.db2.gz PWPSXHUVLSMBQT-INIZCTEOSA-N 1 0 338.517 2.836 20 10 EFCDRO CCc1nn(C)cc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000183513289 720257557 /nfs/dbraw/zinc/25/75/57/720257557.db2.gz ORIABJZNBWOHTB-KRWDZBQOSA-N 1 0 329.444 2.869 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@H]1c1ccc(O)cc1 ZINC000295968487 720278603 /nfs/dbraw/zinc/27/86/03/720278603.db2.gz IJLCDOMQNAPKSO-ZWKOTPCHSA-N 1 0 341.407 2.795 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c(O)c1OC ZINC000893276174 720406878 /nfs/dbraw/zinc/40/68/78/720406878.db2.gz RGPMAHRHKDISOR-PVXIVEMSSA-N 1 0 341.498 2.879 20 10 EFCDRO C[C@H](F)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028345326 720531604 /nfs/dbraw/zinc/53/16/04/720531604.db2.gz ZVTHYDQZVDSDFP-SWLSCSKDSA-N 1 0 349.410 2.791 20 10 EFCDRO C[C@@H](F)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028345325 720531645 /nfs/dbraw/zinc/53/16/45/720531645.db2.gz ZVTHYDQZVDSDFP-IUODEOHRSA-N 1 0 349.410 2.791 20 10 EFCDRO CC(C)[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]12 ZINC001026430640 720568551 /nfs/dbraw/zinc/56/85/51/720568551.db2.gz RDCKQKJKHKIJIR-FVQBIDKESA-N 1 0 343.431 2.698 20 10 EFCDRO C[C@H](CC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000178710798 720569552 /nfs/dbraw/zinc/56/95/52/720569552.db2.gz NTJVIBVWKUATNF-SJLPKXTDSA-N 1 0 329.488 2.929 20 10 EFCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)[C@H]3CCCO3)CC2)cc1C ZINC001026447334 720608330 /nfs/dbraw/zinc/60/83/30/720608330.db2.gz DXZYJVHETXDCBM-FAFZWHIHSA-N 1 0 346.471 2.700 20 10 EFCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)c3ncc[nH]3)CC2)cc1C ZINC001026491376 720668758 /nfs/dbraw/zinc/66/87/58/720668758.db2.gz UFTQTLLLCZFGSJ-UHFFFAOYSA-N 1 0 342.443 2.558 20 10 EFCDRO COc1ccc(C[NH2+]CC(=O)Nc2c(C)cccc2C)c(O)c1OC ZINC000893329595 720672167 /nfs/dbraw/zinc/67/21/67/720672167.db2.gz FJFWXWWHZQIQFY-UHFFFAOYSA-N 1 0 344.411 2.755 20 10 EFCDRO COc1cc(C(=O)NC2CCC([NH2+]CC3CCC3)CC2)cc(OC)n1 ZINC001026521976 720706042 /nfs/dbraw/zinc/70/60/42/720706042.db2.gz ICPLLDVFOCNXCR-UHFFFAOYSA-N 1 0 347.459 2.530 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1O ZINC000894160271 720978226 /nfs/dbraw/zinc/97/82/26/720978226.db2.gz KVLAVGYQWCVEPW-HUUCEWRRSA-N 1 0 336.476 2.687 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)/C=C/C3CC3)C2)cc1C ZINC001026754107 721045096 /nfs/dbraw/zinc/04/50/96/721045096.db2.gz WTZOGAXZZIIBRY-IWHGQQBYSA-N 1 0 328.456 2.908 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)/C=C/C3CC3)C2)cc1C ZINC001026754108 721045357 /nfs/dbraw/zinc/04/53/57/721045357.db2.gz WTZOGAXZZIIBRY-JHTBKMLMSA-N 1 0 328.456 2.908 20 10 EFCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000067247972 721084233 /nfs/dbraw/zinc/08/42/33/721084233.db2.gz PMVXJILMRZHOIU-CQSZACIVSA-N 1 0 347.484 2.512 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCNC(=O)c2ccc(C)c(F)c2)c1O ZINC000894169811 721085478 /nfs/dbraw/zinc/08/54/78/721085478.db2.gz JLTLXBHXXIZCGB-UHFFFAOYSA-N 1 0 346.402 2.676 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)c1O ZINC000894178671 721172459 /nfs/dbraw/zinc/17/24/59/721172459.db2.gz ISZAXHXLUULWNB-UHFFFAOYSA-N 1 0 334.460 2.836 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3ccns3)C2)cc1C ZINC001026872570 721270914 /nfs/dbraw/zinc/27/09/14/721270914.db2.gz PSMVEURIABNSFJ-HNNXBMFYSA-N 1 0 345.468 2.712 20 10 EFCDRO C[NH+]1CCC(C(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000124185674 721409757 /nfs/dbraw/zinc/40/97/57/721409757.db2.gz ODJZTFBOTUJSTJ-UHFFFAOYSA-N 1 0 328.412 2.856 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c(O)c1OC ZINC000894270626 721841002 /nfs/dbraw/zinc/84/10/02/721841002.db2.gz GMJXYFZHUAPEHL-MRXNPFEDSA-N 1 0 331.412 2.849 20 10 EFCDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000894325780 722096042 /nfs/dbraw/zinc/09/60/42/722096042.db2.gz YCEOXKCBNQJLCU-HLFMIMNKSA-N 1 0 325.474 2.879 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1O ZINC000894331119 722105455 /nfs/dbraw/zinc/10/54/55/722105455.db2.gz BRVPAMODXQQUFB-QZTJIDSGSA-N 1 0 348.487 2.567 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3ocnc3C)C2)cc1C ZINC000983429248 722612692 /nfs/dbraw/zinc/61/26/92/722612692.db2.gz RKFGCHRCDXUTIG-WKILWMFISA-N 1 0 343.427 2.598 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029014438 722640506 /nfs/dbraw/zinc/64/05/06/722640506.db2.gz ZKBJVZIEWIWNAB-CYBMUJFWSA-N 1 0 331.420 2.557 20 10 EFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C3CC4(C3)CCCC4)cc2)CC1 ZINC000925055956 722676676 /nfs/dbraw/zinc/67/66/76/722676676.db2.gz QKEQMEWQPHOPJI-UHFFFAOYSA-N 1 0 348.512 2.734 20 10 EFCDRO COc1ccc(CN2CCOc3cc(O)ccc3C2)c(O)c1OC ZINC000894417614 722727758 /nfs/dbraw/zinc/72/77/58/722727758.db2.gz RJKWJAWZEDILDW-UHFFFAOYSA-N 1 0 331.368 2.510 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c1O ZINC000894424669 722732939 /nfs/dbraw/zinc/73/29/39/722732939.db2.gz LBQTVXTUOYSYEX-HJPURHCSSA-N 1 0 333.453 2.919 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)c1O ZINC000894424671 722733015 /nfs/dbraw/zinc/73/30/15/722733015.db2.gz LBQTVXTUOYSYEX-MWTRTKDXSA-N 1 0 333.453 2.919 20 10 EFCDRO COc1ccc(CN2CCCC[C@@H]2c2nc(C)no2)c(O)c1OC ZINC000894435997 722736926 /nfs/dbraw/zinc/73/69/26/722736926.db2.gz GNBVFFUABSWIBG-CYBMUJFWSA-N 1 0 333.388 2.828 20 10 EFCDRO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]Cc1cccc(OC)c1O ZINC000894457637 722741965 /nfs/dbraw/zinc/74/19/65/722741965.db2.gz FQWKZVNNCPLRBP-ZDUSSCGKSA-N 1 0 345.395 2.631 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)NCCC[NH+](C)C ZINC000917593766 728763090 /nfs/dbraw/zinc/76/30/90/728763090.db2.gz UWNKEIRPEIHINN-UHFFFAOYSA-N 1 0 336.549 2.789 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000894502043 722762335 /nfs/dbraw/zinc/76/23/35/722762335.db2.gz JVGMFUOYAYVMBI-NSHDSACASA-N 1 0 333.384 2.974 20 10 EFCDRO COc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(O)c1OC ZINC000894553965 722781144 /nfs/dbraw/zinc/78/11/44/722781144.db2.gz VYQJALXZBFZXJZ-MAUKXSAKSA-N 1 0 333.428 2.943 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c(O)c1OC ZINC000894722272 722831916 /nfs/dbraw/zinc/83/19/16/722831916.db2.gz AMCVDJFIYWEBRP-HOCLYGCPSA-N 1 0 325.449 2.788 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c(O)c1OC ZINC000894738444 722833653 /nfs/dbraw/zinc/83/36/53/722833653.db2.gz PDCYBMGVMWIDDM-RDJZCZTQSA-N 1 0 344.411 2.814 20 10 EFCDRO COC(=O)[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)CC(C)C ZINC000894790177 722845363 /nfs/dbraw/zinc/84/53/63/722845363.db2.gz HMARWNHLBBKSAR-QGZVFWFLSA-N 1 0 348.487 2.573 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCO[C@@H]3CCCCO3)CC2)cc1 ZINC000894799019 722850284 /nfs/dbraw/zinc/85/02/84/722850284.db2.gz JDBRRLLCZWUWMX-LJQANCHMSA-N 1 0 334.460 2.797 20 10 EFCDRO COc1ccc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)c(O)c1OC ZINC000894812778 722855020 /nfs/dbraw/zinc/85/50/20/722855020.db2.gz HHABRVGDAGWCDY-UHFFFAOYSA-N 1 0 333.432 2.801 20 10 EFCDRO COc1cc(C)cc(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1O ZINC000894875947 722932513 /nfs/dbraw/zinc/93/25/13/722932513.db2.gz CWNNZDNWWLEKFI-UHFFFAOYSA-N 1 0 340.423 2.973 20 10 EFCDRO CCn1cc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)c(C)n1 ZINC000895005579 723047085 /nfs/dbraw/zinc/04/70/85/723047085.db2.gz GUAUNSVGUCPSOM-MRXNPFEDSA-N 1 0 328.460 2.836 20 10 EFCDRO CCc1cccc(NC(=O)C[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000895038236 723057294 /nfs/dbraw/zinc/05/72/94/723057294.db2.gz LCFKXWMEDJBTOZ-UHFFFAOYSA-N 1 0 328.412 3.000 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)NCCC(C)(F)F)[NH+](C)C)cc1 ZINC000895069837 723173043 /nfs/dbraw/zinc/17/30/43/723173043.db2.gz QZIXOSZCUGZOJY-HNNXBMFYSA-N 1 0 342.434 2.700 20 10 EFCDRO COc1cccc(O)c1C[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000727837132 723197011 /nfs/dbraw/zinc/19/70/11/723197011.db2.gz LBHWRQMVIADWEL-MRXNPFEDSA-N 1 0 341.329 2.941 20 10 EFCDRO CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)C(=O)NCc1cccs1 ZINC000895079491 723221685 /nfs/dbraw/zinc/22/16/85/723221685.db2.gz SHYBTSHUDIQIEY-HNNXBMFYSA-N 1 0 348.468 2.955 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)ncn3C)c(O)c1OC ZINC000896297579 723238575 /nfs/dbraw/zinc/23/85/75/723238575.db2.gz UVKYOFFCMVUWSD-UHFFFAOYSA-N 1 0 327.384 2.586 20 10 EFCDRO CN(C)c1ccnc(C[NH2+]Cc2ccc(Br)cc2O)c1 ZINC000896298681 723238602 /nfs/dbraw/zinc/23/86/02/723238602.db2.gz KWJVHFLLLPUNLY-UHFFFAOYSA-N 1 0 336.233 2.906 20 10 EFCDRO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895084686 723238946 /nfs/dbraw/zinc/23/89/46/723238946.db2.gz GMSGMYPONIWTRT-CQSZACIVSA-N 1 0 346.377 2.809 20 10 EFCDRO O=C(NCCCSc1nccs1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000154567345 728804411 /nfs/dbraw/zinc/80/44/11/728804411.db2.gz ZWCDCWPHCXMKDG-CYBMUJFWSA-N 1 0 340.518 2.505 20 10 EFCDRO COc1ccc(C[NH2+][C@H](CCO)c2ccccc2F)c(O)c1OC ZINC000895116589 723328170 /nfs/dbraw/zinc/32/81/70/723328170.db2.gz UAVOIJYKFVPMEF-OAHLLOKOSA-N 1 0 335.375 2.762 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3cc(C(F)F)ncn3)cc2)CC1 ZINC000895145350 723448462 /nfs/dbraw/zinc/44/84/62/723448462.db2.gz UWICBNBWQVFJCF-UHFFFAOYSA-N 1 0 333.386 2.778 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2CC(F)(F)F)c(O)c1OC ZINC000896834867 723528634 /nfs/dbraw/zinc/52/86/34/723528634.db2.gz VGBQDOQAEDAQTO-GFCCVEGCSA-N 1 0 348.365 2.526 20 10 EFCDRO CC(C)[NH2+]C1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000154664775 728851056 /nfs/dbraw/zinc/85/10/56/728851056.db2.gz CEOWWKJWMJLXOU-UHFFFAOYSA-N 1 0 342.534 2.797 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)c1O ZINC000895351803 724063060 /nfs/dbraw/zinc/06/30/60/724063060.db2.gz XILSAKUENKIKIV-AWEZNQCLSA-N 1 0 341.329 2.950 20 10 EFCDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895446351 724137468 /nfs/dbraw/zinc/13/74/68/724137468.db2.gz PXMPHEDXMJAWJJ-FQEVSTJZSA-N 1 0 345.439 2.801 20 10 EFCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CC(c2ccc3c(c2)CCO3)=NO1 ZINC000895507965 724166578 /nfs/dbraw/zinc/16/65/78/724166578.db2.gz MZXBJQPSUHMGPB-MRXNPFEDSA-N 1 0 338.407 2.918 20 10 EFCDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]2C1 ZINC000895582752 724213522 /nfs/dbraw/zinc/21/35/22/724213522.db2.gz LOUDTQGOTSWZRU-KDURUIRLSA-N 1 0 327.472 2.587 20 10 EFCDRO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1c(O)cccc1OC)C2 ZINC000895601469 724215223 /nfs/dbraw/zinc/21/52/23/724215223.db2.gz NXHPHXYSVYUSFT-UHFFFAOYSA-N 1 0 327.380 2.746 20 10 EFCDRO CCc1cccc(C[NH2+]Cc2ccc(N3CCNC3=O)cc2)c1O ZINC000895605148 724216202 /nfs/dbraw/zinc/21/62/02/724216202.db2.gz OIUJNOGAAUVPQE-UHFFFAOYSA-N 1 0 325.412 2.774 20 10 EFCDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1ccc(OC)c(C)c1)C(F)(F)F ZINC000895706810 724266503 /nfs/dbraw/zinc/26/65/03/724266503.db2.gz IMKHJFZJFHYVGK-MVGZEHJDSA-N 1 0 333.350 2.937 20 10 EFCDRO CCO/C=C/[C@](O)(C[NH2+]Cc1cccc(CC)c1O)C(F)(F)F ZINC000895716499 724276543 /nfs/dbraw/zinc/27/65/43/724276543.db2.gz IRZPOSXYEKOSKP-HVHJFMEUSA-N 1 0 333.350 2.888 20 10 EFCDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000895718266 724278302 /nfs/dbraw/zinc/27/83/02/724278302.db2.gz LYJVYCXAAFNQJV-DZFYGRHCSA-N 1 0 345.361 2.945 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=S)NCC(C)(C)C[NH+](C)C)c1 ZINC000728793221 724305328 /nfs/dbraw/zinc/30/53/28/724305328.db2.gz QYVCTNGKEQJYFC-LBPRGKRZSA-N 1 0 339.505 2.514 20 10 EFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]C3CC(C(F)F)C3)cc2)CC1 ZINC000895813175 724328580 /nfs/dbraw/zinc/32/85/80/724328580.db2.gz FPOYXOQDCXYZMF-UHFFFAOYSA-N 1 0 337.414 2.522 20 10 EFCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)CC(C)C ZINC000895814675 724329021 /nfs/dbraw/zinc/32/90/21/724329021.db2.gz STLZISKXKFPHGQ-LJQANCHMSA-N 1 0 347.503 2.539 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000729049453 724876960 /nfs/dbraw/zinc/87/69/60/724876960.db2.gz FOJAKWUUYFKYAY-ZIAGYGMSSA-N 1 0 335.448 2.635 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccccn3)[C@H]2C)cc1C ZINC000985883525 724944982 /nfs/dbraw/zinc/94/49/82/724944982.db2.gz HGMZQZLZUQUTEK-DOTOQJQBSA-N 1 0 339.439 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc(C)on3)[C@H]2C)cc1C ZINC000985936630 724978722 /nfs/dbraw/zinc/97/87/22/724978722.db2.gz YVJKNRJGZNJXJV-GOEBONIOSA-N 1 0 343.427 2.693 20 10 EFCDRO CC(C)(C)OC(=O)NC1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000897420546 725504856 /nfs/dbraw/zinc/50/48/56/725504856.db2.gz BIFUNAXGQLRHMW-UHFFFAOYSA-N 1 0 328.359 2.817 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCOC1 ZINC000151542897 725612834 /nfs/dbraw/zinc/61/28/34/725612834.db2.gz AUIZRZHEYCHTJI-CRAIPNDOSA-N 1 0 336.451 2.692 20 10 EFCDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000050901234 725619202 /nfs/dbraw/zinc/61/92/02/725619202.db2.gz MOKZZFMXJZFTGN-KGLIPLIRSA-N 1 0 348.443 2.638 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3oncc3C)[C@H]2C)cc1C ZINC000987296883 725634317 /nfs/dbraw/zinc/63/43/17/725634317.db2.gz DESZVTHYKLVMDY-HOCLYGCPSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1cc(Cl)cc(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1O ZINC000324054104 725664090 /nfs/dbraw/zinc/66/40/90/725664090.db2.gz VHDNAALWSGCKHC-JKSUJKDBSA-N 1 0 332.831 2.981 20 10 EFCDRO CC(C)[NH+]1CCC(C(=O)NCCCSc2nccs2)CC1 ZINC000174717512 725726155 /nfs/dbraw/zinc/72/61/55/725726155.db2.gz CWKQDBFOPMLLNI-UHFFFAOYSA-N 1 0 327.519 2.862 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCOC1 ZINC000151586287 725783511 /nfs/dbraw/zinc/78/35/11/725783511.db2.gz ZZVFKKAJMQWZPF-UYAOXDASSA-N 1 0 332.488 2.800 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3ccccn3)C2)cc1C ZINC000987799609 725853673 /nfs/dbraw/zinc/85/36/73/725853673.db2.gz SBHARKAGQBOZBH-RDJZCZTQSA-N 1 0 339.439 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3ccc[nH]3)C2)cc1C ZINC000988038191 726036316 /nfs/dbraw/zinc/03/63/16/726036316.db2.gz QNWAPHHCPYYIDH-GDBMZVCRSA-N 1 0 327.428 2.725 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3ccc[nH]3)C2)cc1C ZINC000988038193 726036493 /nfs/dbraw/zinc/03/64/93/726036493.db2.gz QNWAPHHCPYYIDH-GOEBONIOSA-N 1 0 327.428 2.725 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3cncs3)C2)cc1C ZINC000988249060 726133157 /nfs/dbraw/zinc/13/31/57/726133157.db2.gz QQYXOFUBXYMAAJ-HIFRSBDPSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3cscn3)C2)cc1C ZINC000988352449 726204003 /nfs/dbraw/zinc/20/40/03/726204003.db2.gz PEHYCNMTMQOFHE-DZGCQCFKSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(N2CCC(NC(=O)CCCC[NH+](C)C)CC2)cc1 ZINC000729286077 726227045 /nfs/dbraw/zinc/22/70/45/726227045.db2.gz CUVUWXKMXVVJKW-UHFFFAOYSA-N 1 0 333.476 2.512 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]C[C@]2(C)CCCO2)c1O ZINC000152915715 726289922 /nfs/dbraw/zinc/28/99/22/726289922.db2.gz JYLWGLGXPDPHPB-AWEZNQCLSA-N 1 0 330.222 2.822 20 10 EFCDRO CN(C)c1ccc([C@@H](CNc2ncc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000897521409 726397516 /nfs/dbraw/zinc/39/75/16/726397516.db2.gz GACSWKKJTJDZJX-CYBMUJFWSA-N 1 0 335.433 2.832 20 10 EFCDRO CN(C)c1ccc([C@@H](CNc2ccnc(F)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000897522976 726402736 /nfs/dbraw/zinc/40/27/36/726402736.db2.gz QWAUFOSXWPHOGL-OAHLLOKOSA-N 1 0 347.394 2.910 20 10 EFCDRO CN(C)c1ccc([C@H](CNc2ccnc(F)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000897522975 726402939 /nfs/dbraw/zinc/40/29/39/726402939.db2.gz QWAUFOSXWPHOGL-HNNXBMFYSA-N 1 0 347.394 2.910 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)NCCC[NH+](C)C)cc2)CC1 ZINC000731114368 726808787 /nfs/dbraw/zinc/80/87/87/726808787.db2.gz PRMRGAJZINLBJQ-UHFFFAOYSA-N 1 0 332.492 2.674 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc2c(cc1O)OCO2 ZINC000732187074 727002019 /nfs/dbraw/zinc/00/20/19/727002019.db2.gz GYDANLCABXMZFR-OAHLLOKOSA-N 1 0 340.423 2.827 20 10 EFCDRO O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)NCc1ccccn1 ZINC000732204547 727004474 /nfs/dbraw/zinc/00/44/74/727004474.db2.gz MPYRVYNJOJRTJX-UHFFFAOYSA-N 1 0 339.439 2.848 20 10 EFCDRO CCOc1ccc(C[NH2+]CC2(N3CCCCC3)CCOCC2)c(O)c1 ZINC000732231450 727007672 /nfs/dbraw/zinc/00/76/72/727007672.db2.gz XQVWKRBQRCRYCO-UHFFFAOYSA-N 1 0 348.487 2.916 20 10 EFCDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)C1=CC(=O)CS1 ZINC000732270691 727012832 /nfs/dbraw/zinc/01/28/32/727012832.db2.gz ZFPQZCPSKPVWCS-UHFFFAOYSA-N 1 0 330.453 2.891 20 10 EFCDRO COc1cc(C)cc(C[N@H+](C)C[C@@H]2COc3ccccc3O2)c1O ZINC000915825352 727177684 /nfs/dbraw/zinc/17/76/84/727177684.db2.gz XJPXUBWUIGVJRI-OAHLLOKOSA-N 1 0 329.396 2.981 20 10 EFCDRO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000732796769 727233208 /nfs/dbraw/zinc/23/32/08/727233208.db2.gz HVCFMCDHOASMGS-MRXNPFEDSA-N 1 0 339.439 2.917 20 10 EFCDRO O=C(NCc1ccc(O)cc1O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000910951531 727472794 /nfs/dbraw/zinc/47/27/94/727472794.db2.gz SCGLZJDBHKFPOL-SFHVURJKSA-N 1 0 340.423 2.769 20 10 EFCDRO O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000911263596 727521528 /nfs/dbraw/zinc/52/15/28/727521528.db2.gz ZUSHNGAEJSQWBT-CVEARBPZSA-N 1 0 325.412 2.574 20 10 EFCDRO CC(=O)c1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1C ZINC000911666012 727576516 /nfs/dbraw/zinc/57/65/16/727576516.db2.gz GOTWPTLOHALVKC-IBGZPJMESA-N 1 0 339.439 2.693 20 10 EFCDRO CCn1cc(Cl)cc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911665937 727576542 /nfs/dbraw/zinc/57/65/42/727576542.db2.gz FZNUJVJUEXVBHP-OAHLLOKOSA-N 1 0 334.851 2.657 20 10 EFCDRO C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000912067737 727646827 /nfs/dbraw/zinc/64/68/27/727646827.db2.gz HMUSLTYQZITQID-SFHVURJKSA-N 1 0 330.476 2.570 20 10 EFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CC(C)(C)C)CC2)cc1 ZINC000032765410 727665096 /nfs/dbraw/zinc/66/50/96/727665096.db2.gz RHJCBYBDOUYMMJ-UHFFFAOYSA-N 1 0 347.503 2.760 20 10 EFCDRO CC(=O)c1cc(F)cc(C[N@H+](C)CCC(=O)OC(C)(C)C)c1O ZINC000150948983 727753775 /nfs/dbraw/zinc/75/37/75/727753775.db2.gz LJLPNJWODCBHRO-UHFFFAOYSA-N 1 0 325.380 2.898 20 10 EFCDRO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c(C)n1-c1ccccn1 ZINC000151293968 727824408 /nfs/dbraw/zinc/82/44/08/727824408.db2.gz WHTCSFMKKRRPFD-SFHVURJKSA-N 1 0 340.471 2.901 20 10 EFCDRO CC1CCN(c2ccc(C[NH2+][C@@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000182909235 727865211 /nfs/dbraw/zinc/86/52/11/727865211.db2.gz JVRZKEHZPJTTLK-QGZVFWFLSA-N 1 0 336.501 2.590 20 10 EFCDRO CC[N@H+](CCN1CCCC1=O)Cc1cc(Br)ccc1O ZINC000076118476 727998649 /nfs/dbraw/zinc/99/86/49/727998649.db2.gz XRGLPSWUZNGIEO-UHFFFAOYSA-N 1 0 341.249 2.599 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)Nc2cc(N)ccc2F)c1 ZINC000182356715 728100663 /nfs/dbraw/zinc/10/06/63/728100663.db2.gz HISMFUMLSLYXPM-LLVKDONJSA-N 1 0 347.390 2.802 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCc2ccc(C)cc2)c1 ZINC000182364147 728118145 /nfs/dbraw/zinc/11/81/45/728118145.db2.gz GEUIMNSDNXHSNI-CQSZACIVSA-N 1 0 328.412 2.676 20 10 EFCDRO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cccc(C)c1O ZINC000183517172 728142989 /nfs/dbraw/zinc/14/29/89/728142989.db2.gz PLXSAFARHVYBKO-UHFFFAOYSA-N 1 0 330.403 2.978 20 10 EFCDRO Cc1ccc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c(O)c1O ZINC000182421098 728154384 /nfs/dbraw/zinc/15/43/84/728154384.db2.gz CYTMPFWXILBFOT-AWEZNQCLSA-N 1 0 328.412 2.657 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COCc2ccccc2F)c1 ZINC000182444897 728162967 /nfs/dbraw/zinc/16/29/67/728162967.db2.gz WBQJMRAOMZXPIA-UKRRQHHQSA-N 1 0 349.402 2.768 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)c1 ZINC000182453397 728170888 /nfs/dbraw/zinc/17/08/88/728170888.db2.gz PJSGWAYPXKKFOJ-CYBMUJFWSA-N 1 0 339.395 2.952 20 10 EFCDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC000071700707 728329198 /nfs/dbraw/zinc/32/91/98/728329198.db2.gz XLRXBKWTFMYMRS-QGZVFWFLSA-N 1 0 331.847 2.884 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCOc3cccnc3)CC2)cc1 ZINC000169038420 728338985 /nfs/dbraw/zinc/33/89/85/728338985.db2.gz UIIQHBUMCIWQAR-UHFFFAOYSA-N 1 0 327.428 2.728 20 10 EFCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1 ZINC000170728633 728471904 /nfs/dbraw/zinc/47/19/04/728471904.db2.gz XEUZTKAXZQWOKG-ZDUSSCGKSA-N 1 0 334.460 2.873 20 10 EFCDRO COc1cccc(C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)c1O ZINC000170790663 728479067 /nfs/dbraw/zinc/47/90/67/728479067.db2.gz VUPCJSUPEKVRAV-INIZCTEOSA-N 1 0 341.329 2.941 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)C(C)C)cc2F)CC1 ZINC000171942005 728560659 /nfs/dbraw/zinc/56/06/59/728560659.db2.gz OBVVOCWPKNFHJG-HNNXBMFYSA-N 1 0 335.467 2.876 20 10 EFCDRO COC[C@@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000172920697 728610385 /nfs/dbraw/zinc/61/03/85/728610385.db2.gz LFFOJIQWVQJICK-ZDUSSCGKSA-N 1 0 331.412 2.864 20 10 EFCDRO Cc1nc2ccccc2n1CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000063255937 728617933 /nfs/dbraw/zinc/61/79/33/728617933.db2.gz LUMLMLUQKRKTHQ-UHFFFAOYSA-N 1 0 325.368 2.569 20 10 EFCDRO COCCOC[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173396555 728624828 /nfs/dbraw/zinc/62/48/28/728624828.db2.gz ZWJBGLULIHIDIO-AWEZNQCLSA-N 1 0 337.460 2.880 20 10 EFCDRO COc1ccccc1/C=C1\SC(=S)N(C2CC[NH+](C)CC2)C1=O ZINC000063824221 728649583 /nfs/dbraw/zinc/64/95/83/728649583.db2.gz FAQAWBRYFQDNTE-PTNGSMBKSA-N 1 0 348.493 2.991 20 10 EFCDRO CC[N@H+](CCCNC(C)=O)Cc1cc(Br)ccc1O ZINC000174424298 728664539 /nfs/dbraw/zinc/66/45/39/728664539.db2.gz VIMAVSPACGXJSI-UHFFFAOYSA-N 1 0 329.238 2.503 20 10 EFCDRO COc1ccc(N2CCN([C@@H](C)C(=O)NC3CCCCC3)CC2)cc1 ZINC000068678603 729740891 /nfs/dbraw/zinc/74/08/91/729740891.db2.gz XMGKNFQUGSMBOW-INIZCTEOSA-N 1 0 345.487 2.655 20 10 EFCDRO CN(C)C(=O)CC1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000180559838 729760589 /nfs/dbraw/zinc/76/05/89/729760589.db2.gz XVAYUXVAVHJETO-UHFFFAOYSA-N 1 0 330.472 2.961 20 10 EFCDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180696727 729765360 /nfs/dbraw/zinc/76/53/60/729765360.db2.gz XUARGFJYZVYYTL-WVOQPWCKSA-N 1 0 346.471 2.984 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001593258236 994540982 /nfs/dbraw/zinc/54/09/82/994540982.db2.gz YLEFDEALVDRLCU-HIFRSBDPSA-N 1 0 332.444 2.863 20 10 EFCDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000188981992 1126077439 /nfs/dbraw/zinc/07/74/39/1126077439.db2.gz KHNVZIJBKUOXKO-HXUWFJFHSA-N 1 0 340.467 2.525 20 10 EFCDRO CCOc1ccc(C[NH2+][C@@](C)(CO)Cc2ccccc2OC)c(O)c1 ZINC000865715933 1126115202 /nfs/dbraw/zinc/11/52/02/1126115202.db2.gz IDWBZSZPCQJWOC-HXUWFJFHSA-N 1 0 345.439 2.883 20 10 EFCDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000865716740 1126115848 /nfs/dbraw/zinc/11/58/48/1126115848.db2.gz YBVMUIQYKPILIZ-HXUWFJFHSA-N 1 0 327.424 2.713 20 10 EFCDRO CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC001576392101 1089180982 /nfs/dbraw/zinc/18/09/82/1089180982.db2.gz WTLJFTKLWDZALZ-LZQZEXGQSA-N 1 0 347.478 2.529 20 10 EFCDRO C[C@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)c2cc(Br)ccc2O1 ZINC001576763678 1089446827 /nfs/dbraw/zinc/44/68/27/1089446827.db2.gz XOJHFUHAGPDQSW-CABZTGNLSA-N 1 0 337.217 2.611 20 10 EFCDRO C[C@@H]1Cc2cc(C[NH2+]C[C@H](N)c3ccc(N(C)C)cc3)ccc2O1 ZINC001576861172 1089493908 /nfs/dbraw/zinc/49/39/08/1089493908.db2.gz BUSSBAQNZISFDO-KUHUBIRLSA-N 1 0 325.456 2.866 20 10 EFCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(C(C)(C)O)cc2)cc1 ZINC001578424580 1090369684 /nfs/dbraw/zinc/36/96/84/1090369684.db2.gz NHZYQGFDOQNNIO-IBGZPJMESA-N 1 0 327.472 2.770 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001578489618 1090384341 /nfs/dbraw/zinc/38/43/41/1090384341.db2.gz BOQMLPQXDNIMLE-NEWSRXKRSA-N 1 0 327.472 2.776 20 10 EFCDRO Cc1cc(CC(=O)NOC[C@H](C)[NH3+])c(C)n1-c1ccc(Cl)cc1 ZINC001579589577 1090637427 /nfs/dbraw/zinc/63/74/27/1090637427.db2.gz KEKNWEOPVKXOJP-NSHDSACASA-N 1 0 335.835 2.685 20 10 EFCDRO Cc1cc(CC(=O)N[C@@H]2C[NH2+]CCC2(F)F)c(C)n1-c1ccccc1 ZINC001579589875 1090638440 /nfs/dbraw/zinc/63/84/40/1090638440.db2.gz PDTABIYUTKRHIX-QGZVFWFLSA-N 1 0 347.409 2.750 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC001579589896 1090638654 /nfs/dbraw/zinc/63/86/54/1090638654.db2.gz QHTGEKVAOHABQS-HXUWFJFHSA-N 1 0 339.439 2.718 20 10 EFCDRO Cc1cc(CCNC(=O)C[C@H](N)C(F)F)c(C)n1-c1ccccc1 ZINC001579592488 1090638673 /nfs/dbraw/zinc/63/86/73/1090638673.db2.gz CRBAHLIKMFTAPV-INIZCTEOSA-N 1 0 335.398 2.735 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCCC[C@H]1C[NH3+] ZINC001579617918 1090645025 /nfs/dbraw/zinc/64/50/25/1090645025.db2.gz WNQHGPKZWNMTPE-QAPCUYQASA-N 1 0 332.492 2.515 20 10 EFCDRO Cc1cc(CNC(=O)N2CC[NH2+][C@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC001579748250 1090677465 /nfs/dbraw/zinc/67/74/65/1090677465.db2.gz WGZMMLMUGDMKMU-OAHLLOKOSA-N 1 0 340.471 2.906 20 10 EFCDRO Cc1cc(CNC(=O)N2CC[NH2+][C@@H]3C[C@@H]32)c(C)n1-c1cccc(C)c1 ZINC001579747466 1090677717 /nfs/dbraw/zinc/67/77/17/1090677717.db2.gz MIIHCFIYUYLDLV-MOPGFXCFSA-N 1 0 338.455 2.658 20 10 EFCDRO [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC001580185318 1090804857 /nfs/dbraw/zinc/80/48/57/1090804857.db2.gz WRPLCWPMVXOXPM-WBVHZDCISA-N 1 0 342.842 2.903 20 10 EFCDRO [NH3+]Cc1ccc2c(c1)CCCN2[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC001580340328 1090869333 /nfs/dbraw/zinc/86/93/33/1090869333.db2.gz VENLNZLMZCMWRM-LJQANCHMSA-N 1 0 339.414 2.843 20 10 EFCDRO [NH3+]Cc1ccccc1CNC(=O)NCCCSc1nccs1 ZINC001580347763 1090872542 /nfs/dbraw/zinc/87/25/42/1090872542.db2.gz JGBOCZCJDHDFSS-UHFFFAOYSA-N 1 0 336.486 2.583 20 10 EFCDRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC001580402033 1090889165 /nfs/dbraw/zinc/88/91/65/1090889165.db2.gz KIDQVFOZTLKELH-QMTMVMCOSA-N 1 0 326.396 2.641 20 10 EFCDRO O=C(NC[C@@]1(O)CC[NH2+]C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001580635646 1090973368 /nfs/dbraw/zinc/97/33/68/1090973368.db2.gz RZKMTSVGKXOEPW-GOSISDBHSA-N 1 0 339.399 2.948 20 10 EFCDRO [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC001580885567 1091035003 /nfs/dbraw/zinc/03/50/03/1091035003.db2.gz FBPGGUCKISMHHM-UKRRQHHQSA-N 1 0 343.240 2.916 20 10 EFCDRO COC(=O)c1cc(N2C(C)(C)CC([NH3+])CC2(C)C)cc2c1OCO2 ZINC001167625430 1093141608 /nfs/dbraw/zinc/14/16/08/1093141608.db2.gz SNUVGKUDHKWGAH-UHFFFAOYSA-N 1 0 334.416 2.687 20 10 EFCDRO C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589952390 1093191699 /nfs/dbraw/zinc/19/16/99/1093191699.db2.gz SPPZABNAFZZPFD-LLVKDONJSA-N 1 0 344.463 2.532 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)c1ccc(N(C)C)cc1 ZINC001589968232 1093200675 /nfs/dbraw/zinc/20/06/75/1093200675.db2.gz RBENRNFUVAGQJR-LBPRGKRZSA-N 1 0 340.406 2.923 20 10 EFCDRO CCOc1cccc(C[NH2+]Cc2ccc(C)c(-c3nn[nH]n3)c2)c1O ZINC001590841586 1093594793 /nfs/dbraw/zinc/59/47/93/1093594793.db2.gz VWRSMSUSBUPCPI-UHFFFAOYSA-N 1 0 339.399 2.569 20 10 EFCDRO CN1CCCc2cc(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)ccc21 ZINC001591190728 1093677263 /nfs/dbraw/zinc/67/72/63/1093677263.db2.gz UDHDVZDATHYHFQ-UHFFFAOYSA-N 1 0 334.427 2.539 20 10 EFCDRO COc1cc(C[NH2+][C@@H](C)c2cc(C)ccc2O)ccc1-c1nn[nH]n1 ZINC001591533988 1093755230 /nfs/dbraw/zinc/75/52/30/1093755230.db2.gz UVNYFBUFPRNNQC-LBPRGKRZSA-N 1 0 339.399 2.740 20 10 EFCDRO COc1cc(C[NH2+]Cc2cc(Cl)ccc2O)ccc1-c1nn[nH]n1 ZINC001591534705 1093755438 /nfs/dbraw/zinc/75/54/38/1093755438.db2.gz UVHBRXDCFVNTTA-UHFFFAOYSA-N 1 0 345.790 2.524 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCc3cc(-c4nn[nH]n4)ccc32)cc1C ZINC001591596717 1093786204 /nfs/dbraw/zinc/78/62/04/1093786204.db2.gz FVFBFAUNMWZKOF-QGZVFWFLSA-N 1 0 335.411 2.961 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001591995650 1093950697 /nfs/dbraw/zinc/95/06/97/1093950697.db2.gz KSNNJRFRPVXKTI-UHFFFAOYSA-N 1 0 336.443 2.873 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1ccc(-c2nn[nH]n2)cc1 ZINC001591995795 1093951951 /nfs/dbraw/zinc/95/19/51/1093951951.db2.gz ZOXPUXJSSLWEGD-UHFFFAOYSA-N 1 0 336.443 2.573 20 10 EFCDRO C[NH+]1CCC(C)(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000780834928 1095267694 /nfs/dbraw/zinc/26/76/94/1095267694.db2.gz FBJOIQQLZNJYHT-UHFFFAOYSA-N 1 0 342.487 2.594 20 10 EFCDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2O)ccc1-c1nn[nH]n1 ZINC001605219236 1097056613 /nfs/dbraw/zinc/05/66/13/1097056613.db2.gz XDQWXBMQLQDPKR-LBPRGKRZSA-N 1 0 339.399 2.740 20 10 EFCDRO Cc1cc(Br)cc(CN2CC3(C2)CCC[NH2+]C3)c1O ZINC001222340359 1098799979 /nfs/dbraw/zinc/79/99/79/1098799979.db2.gz MLGIXTYNRWQJRD-UHFFFAOYSA-N 1 0 325.250 2.649 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2coc(C3CC3)n2)cc1C ZINC001167737832 1099103837 /nfs/dbraw/zinc/10/38/37/1099103837.db2.gz DSHCREFNCGPTJH-UHFFFAOYSA-N 1 0 343.427 2.779 20 10 EFCDRO O=C(Cc1ccc(O)c(O)c1)N1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001270580636 1099227107 /nfs/dbraw/zinc/22/71/07/1099227107.db2.gz VIFGCFINCZPRLD-UHFFFAOYSA-N 1 0 344.455 2.507 20 10 EFCDRO C[N@@H+]1CC[C@@H](c2ccc(NCCc3cc(O)c(O)cc3O)cc2)C1 ZINC001168016867 1100532211 /nfs/dbraw/zinc/53/22/11/1100532211.db2.gz PJCSNKKOUMKGNK-OAHLLOKOSA-N 1 0 328.412 2.877 20 10 EFCDRO CC[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1CCCF ZINC001087844068 1100862057 /nfs/dbraw/zinc/86/20/57/1100862057.db2.gz FWCIPOULUQRNAF-LSDHHAIUSA-N 1 0 349.410 2.791 20 10 EFCDRO CCc1cc(NCc2cc(F)c(N3CCOCC3)c(F)c2)cc[nH+]1 ZINC000840325900 1101004512 /nfs/dbraw/zinc/00/45/12/1101004512.db2.gz OAJAZKKJTINQQQ-UHFFFAOYSA-N 1 0 333.382 2.793 20 10 EFCDRO Cc1cc(Cl)nnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167423038 1101575158 /nfs/dbraw/zinc/57/51/58/1101575158.db2.gz KTDQOAIPLBUUJX-UHFFFAOYSA-N 1 0 331.851 2.802 20 10 EFCDRO CCCc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncn1 ZINC001167431246 1101616717 /nfs/dbraw/zinc/61/67/17/1101616717.db2.gz OCXRPBPZJFJPGY-UHFFFAOYSA-N 1 0 325.460 2.793 20 10 EFCDRO COc1nc(Cl)ncc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167434108 1101659212 /nfs/dbraw/zinc/65/92/12/1101659212.db2.gz CBBYAHFTRUAZSS-UHFFFAOYSA-N 1 0 347.850 2.503 20 10 EFCDRO COc1nccc(C)c1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167434160 1101660745 /nfs/dbraw/zinc/66/07/45/1101660745.db2.gz DTSLUTZPSKVHLR-UHFFFAOYSA-N 1 0 326.444 2.763 20 10 EFCDRO COc1cc(O)c(CN2C[C@@H](C[NH3+])CC[C@H]2C)c(Br)c1 ZINC001206810774 1101679117 /nfs/dbraw/zinc/67/91/17/1101679117.db2.gz PLPYOZVFYMDNDH-GHMZBOCLSA-N 1 0 343.265 2.723 20 10 EFCDRO COc1cc(O)c(CN2C[C@H](C[NH3+])CC[C@H]2C)c(Br)c1 ZINC001206810775 1101679182 /nfs/dbraw/zinc/67/91/82/1101679182.db2.gz PLPYOZVFYMDNDH-MNOVXSKESA-N 1 0 343.265 2.723 20 10 EFCDRO C[NH2+]C[C@H]1CCCN(Cc2cc(C)c(Br)cc2O)C1 ZINC001205018688 1101707203 /nfs/dbraw/zinc/70/72/03/1101707203.db2.gz YBFPFURZZSBDLX-GFCCVEGCSA-N 1 0 327.266 2.895 20 10 EFCDRO Cc1nc2c[nH]cc(NCc3ccc(N4CC[NH+](C)CC4)cc3)c-2n1 ZINC001167437178 1101717704 /nfs/dbraw/zinc/71/77/04/1101717704.db2.gz OAINSPZZSMVQLB-UHFFFAOYSA-N 1 0 336.443 2.630 20 10 EFCDRO CSc1ncc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)n1 ZINC001167437001 1101719176 /nfs/dbraw/zinc/71/91/76/1101719176.db2.gz KRTZPZXPMBNYLG-UHFFFAOYSA-N 1 0 343.500 2.871 20 10 EFCDRO Cn1ccc2ncc(NCc3ccc(N4CC[NH+](C)CC4)cc3)cc21 ZINC001167437618 1101725996 /nfs/dbraw/zinc/72/59/96/1101725996.db2.gz VTWLQXSORYGZGH-UHFFFAOYSA-N 1 0 335.455 2.937 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCNC2=O)c1O ZINC000840826210 1101754088 /nfs/dbraw/zinc/75/40/88/1101754088.db2.gz STMVVXQKKFNMIT-WDEREUQCSA-N 1 0 341.249 2.640 20 10 EFCDRO C[NH+](C)[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1cccs1 ZINC000588403233 1101895009 /nfs/dbraw/zinc/89/50/09/1101895009.db2.gz BLSWDYJULYCGPE-FWPCIQOSSA-N 1 0 332.425 2.592 20 10 EFCDRO CC[NH+](CC)[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccco1 ZINC000588404616 1101907675 /nfs/dbraw/zinc/90/76/75/1101907675.db2.gz FVMPKXWFPBBXKU-WKTRQSJXSA-N 1 0 344.411 2.903 20 10 EFCDRO O=C(/C=C\c1ccc(O)c(O)c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000588405533 1101917159 /nfs/dbraw/zinc/91/71/59/1101917159.db2.gz AFXANHJHXZQVMB-CLFYSBASSA-N 1 0 344.455 2.836 20 10 EFCDRO COCC(=O)N1CCCCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001088242775 1102289145 /nfs/dbraw/zinc/28/91/45/1102289145.db2.gz GFUVSVDWHJHMIX-KRWDZBQOSA-N 1 0 334.460 2.511 20 10 EFCDRO CCOCc1cc(C[NH2+]CCC(C)(C)S(C)(=O)=O)ccc1OC ZINC000840960027 1102577219 /nfs/dbraw/zinc/57/72/19/1102577219.db2.gz BTHZCLVERXOXHI-UHFFFAOYSA-N 1 0 343.489 2.535 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=S)Nc3ccsc3)cc2)CC1 ZINC000905530323 1103315726 /nfs/dbraw/zinc/31/57/26/1103315726.db2.gz QCZCDONVHKHUBG-UHFFFAOYSA-N 1 0 346.525 2.987 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=S)NC3CCCCC3)cc2)CC1 ZINC000905532146 1103318039 /nfs/dbraw/zinc/31/80/39/1103318039.db2.gz YEZOSQUDZMSXRJ-UHFFFAOYSA-N 1 0 346.544 2.735 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]C[C@H](O)c2ccccc2F)N(C)C)cc1 ZINC000905705813 1103514502 /nfs/dbraw/zinc/51/45/02/1103514502.db2.gz RUZDPJUVRAYQMC-PMACEKPBSA-N 1 0 345.462 2.818 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@H](O)c2cccc(F)c2)N(C)C)cc1 ZINC000905705909 1103517320 /nfs/dbraw/zinc/51/73/20/1103517320.db2.gz SHIKTZDBVALLTL-UXHICEINSA-N 1 0 345.462 2.818 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]C[C@@H](O)c2ccccc2)N(C)C)cc1 ZINC000905706994 1103518051 /nfs/dbraw/zinc/51/80/51/1103518051.db2.gz XDXCKOGWSAPPAM-VQTJNVASSA-N 1 0 327.472 2.679 20 10 EFCDRO [NH3+][C@H]1CN(Cc2c(O)ccc3cc(Br)ccc32)C[C@H]1F ZINC001204836325 1104151222 /nfs/dbraw/zinc/15/12/22/1104151222.db2.gz DFYOWPQDDWIKSY-KGLIPLIRSA-N 1 0 339.208 2.789 20 10 EFCDRO Cc1cc2c(NC[C@@H](c3ccc(N(C)C)cc3)[NH+](C)C)nccn2n1 ZINC000897525235 1104938079 /nfs/dbraw/zinc/93/80/79/1104938079.db2.gz KXVODRHSTPINJS-SFHVURJKSA-N 1 0 338.459 2.819 20 10 EFCDRO COCc1nc(C)cc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000897525712 1104958178 /nfs/dbraw/zinc/95/81/78/1104958178.db2.gz SYBDOTWEXJDLCY-KRWDZBQOSA-N 1 0 343.475 2.712 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)Cc3ccoc3)C2)cc1C ZINC000988695726 1105028961 /nfs/dbraw/zinc/02/89/61/1105028961.db2.gz YAYXATHUZIISSK-MAUKXSAKSA-N 1 0 342.439 2.918 20 10 EFCDRO Cc1cccc(C)c1NC(=O)CN(C)Cc1cc2c(cc1O)OCO2 ZINC000192491181 1105489874 /nfs/dbraw/zinc/48/98/74/1105489874.db2.gz AMIYHPWEMQFWSJ-UHFFFAOYSA-N 1 0 342.395 2.808 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3nc(C)no3)C2)c(O)c1 ZINC000897579274 1105776817 /nfs/dbraw/zinc/77/68/17/1105776817.db2.gz SJSCHVQSEDOMJW-AWEZNQCLSA-N 1 0 331.416 2.937 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC(N3CCCOC3=O)CC2)c(O)c1 ZINC000897590761 1105813113 /nfs/dbraw/zinc/81/31/13/1105813113.db2.gz AUEVEZJDWNQXCC-UHFFFAOYSA-N 1 0 334.416 2.598 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000841939133 1106010454 /nfs/dbraw/zinc/01/04/54/1106010454.db2.gz DQUAZVVTEPOBQB-GOSISDBHSA-N 1 0 332.492 2.802 20 10 EFCDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841946996 1106025056 /nfs/dbraw/zinc/02/50/56/1106025056.db2.gz DGXVODYLOGCNHH-WMLDXEAASA-N 1 0 331.460 2.588 20 10 EFCDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCCc1ccc(N)cc1 ZINC000841958057 1106050773 /nfs/dbraw/zinc/05/07/73/1106050773.db2.gz WNFUXIIJSYRIDP-UHFFFAOYSA-N 1 0 344.459 2.568 20 10 EFCDRO CC[NH+](CC)CCN(CC(C)C)C(=O)NCCc1ccc(N)cc1 ZINC000841963352 1106051176 /nfs/dbraw/zinc/05/11/76/1106051176.db2.gz ZIIVOGHHEPRAGS-UHFFFAOYSA-N 1 0 334.508 2.821 20 10 EFCDRO CN(C)c1ccc(CN(C(=O)N[C@@H]2CCC[NH2+]CC2)C2CC2)cc1 ZINC000841978673 1106071968 /nfs/dbraw/zinc/07/19/68/1106071968.db2.gz OBBPJNUFZWNVGR-MRXNPFEDSA-N 1 0 330.476 2.569 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000842015318 1106176911 /nfs/dbraw/zinc/17/69/11/1106176911.db2.gz MPZIQNNCGUBYOZ-RCCFBDPRSA-N 1 0 344.503 2.672 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000842015316 1106177181 /nfs/dbraw/zinc/17/71/81/1106177181.db2.gz MPZIQNNCGUBYOZ-KZNAEPCWSA-N 1 0 344.503 2.672 20 10 EFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CC[N@@H+]3C(C)(C)C)C2)cc1 ZINC000898007865 1106179260 /nfs/dbraw/zinc/17/92/60/1106179260.db2.gz UMMMOLIUJMWZGG-CRAIPNDOSA-N 1 0 345.487 2.511 20 10 EFCDRO COc1ccc(C[NH2+]CCc2cccnc2C)cc1Cn1cccn1 ZINC000898249830 1106288254 /nfs/dbraw/zinc/28/82/54/1106288254.db2.gz GVODDUAYRADJQV-UHFFFAOYSA-N 1 0 336.439 2.976 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]CC2CCC2)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000989839426 1106691283 /nfs/dbraw/zinc/69/12/83/1106691283.db2.gz YXZVCOJAYNSFBM-WBMJQRKESA-N 1 0 343.431 2.842 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)C(C)(F)F)CC2)cc1C ZINC000989851289 1106714740 /nfs/dbraw/zinc/71/47/40/1106714740.db2.gz BIKKYYYMKOMKAJ-UHFFFAOYSA-N 1 0 326.387 2.739 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3cccnc3)CC2)cc1C ZINC000989863056 1106724659 /nfs/dbraw/zinc/72/46/59/1106724659.db2.gz VSFUVRKMZGPMPW-UHFFFAOYSA-N 1 0 339.439 2.793 20 10 EFCDRO C[C@@H](F)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001089068302 1107404112 /nfs/dbraw/zinc/40/41/12/1107404112.db2.gz XOKPFWDALISPGT-JMSVASOKSA-N 1 0 349.410 2.790 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)cc1Br ZINC001233141016 1107658336 /nfs/dbraw/zinc/65/83/36/1107658336.db2.gz CBQQXMFNOSUHJD-RTCCRHLQSA-N 1 0 330.197 2.811 20 10 EFCDRO CS(=O)(=O)c1ccccc1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000926905599 1107720980 /nfs/dbraw/zinc/72/09/80/1107720980.db2.gz MOGNTWOOUVGGQH-HNNXBMFYSA-N 1 0 331.437 2.615 20 10 EFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(O)ccc2O)N1C1CCCC1 ZINC001272386764 1108150979 /nfs/dbraw/zinc/15/09/79/1108150979.db2.gz QFUAHNSMXRVRSK-IAGOWNOFSA-N 1 0 330.428 2.606 20 10 EFCDRO CC[NH+]1CCC2(CCC(=O)N(Cc3ccc(N(C)C)cc3)C2)CC1 ZINC001272446202 1108336367 /nfs/dbraw/zinc/33/63/67/1108336367.db2.gz NNKAZVLYZOZFIG-UHFFFAOYSA-N 1 0 329.488 2.977 20 10 EFCDRO CN1CCCc2cc(C[NH2+]C[C@H](O)CC3(O)CCCCC3)ccc21 ZINC000905074963 1108399221 /nfs/dbraw/zinc/39/92/21/1108399221.db2.gz GYCXRZQVGWMLPF-GOSISDBHSA-N 1 0 332.488 2.605 20 10 EFCDRO CN(C)c1ccc(CN2CCC3(CC[NH+](CC4CC4)CC3)C2=O)cc1 ZINC001272490746 1108512111 /nfs/dbraw/zinc/51/21/11/1108512111.db2.gz OFCIBKOKJUVUQL-UHFFFAOYSA-N 1 0 341.499 2.977 20 10 EFCDRO CC[N@H+](CCNC(=O)NCc1c(O)ccc2c1CCCC2)C1CC1 ZINC000176459746 1108629686 /nfs/dbraw/zinc/62/96/86/1108629686.db2.gz GNYKNFBNVGARFH-UHFFFAOYSA-N 1 0 331.460 2.555 20 10 EFCDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000128164784 1108756728 /nfs/dbraw/zinc/75/67/28/1108756728.db2.gz VKWHNSFKXDQPBH-DZGCQCFKSA-N 1 0 326.868 2.988 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000898449494 1108942843 /nfs/dbraw/zinc/94/28/43/1108942843.db2.gz GTHCDDSGVJNITN-GOSISDBHSA-N 1 0 328.460 2.549 20 10 EFCDRO COC(=O)C1CCC([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000898450059 1108944181 /nfs/dbraw/zinc/94/41/81/1108944181.db2.gz MLVYCRBAUUCBNO-FAFZWHIHSA-N 1 0 347.503 2.677 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)N(C)C)cc1 ZINC000898448065 1108949727 /nfs/dbraw/zinc/94/97/27/1108949727.db2.gz OPRSPHBBQSAWEH-YRPNKDGESA-N 1 0 343.515 2.903 20 10 EFCDRO Cc1nn(C)c(Cl)c1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898452238 1108950852 /nfs/dbraw/zinc/95/08/52/1108950852.db2.gz WIMQQGFUMRXWQB-KRWDZBQOSA-N 1 0 349.910 2.840 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)NCC[N@@H+]2CCC(C)(C)C2)cc1 ZINC000898598710 1109027390 /nfs/dbraw/zinc/02/73/90/1109027390.db2.gz XUKQKKKPWDUGPO-UHFFFAOYSA-N 1 0 332.492 2.626 20 10 EFCDRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000842226400 1109200075 /nfs/dbraw/zinc/20/00/75/1109200075.db2.gz NZARTLOFNFIASH-RBUKOAKNSA-N 1 0 348.512 2.996 20 10 EFCDRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000842226399 1109200246 /nfs/dbraw/zinc/20/02/46/1109200246.db2.gz NZARTLOFNFIASH-OALUTQOASA-N 1 0 348.512 2.996 20 10 EFCDRO CC1=CCCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899104190 1109202793 /nfs/dbraw/zinc/20/27/93/1109202793.db2.gz QNULCFWFTYVZKS-GOSISDBHSA-N 1 0 330.476 2.717 20 10 EFCDRO C[C@@H]1CC[C@@H](C)N1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100580 1109208173 /nfs/dbraw/zinc/20/81/73/1109208173.db2.gz ASNNUWVVCHEURZ-IIDMSEBBSA-N 1 0 332.492 2.938 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)C2CCCC2)[NH+](C)C)cc1 ZINC000899101046 1109208548 /nfs/dbraw/zinc/20/85/48/1109208548.db2.gz HHCNGYPBEMRRCK-GOSISDBHSA-N 1 0 332.492 2.939 20 10 EFCDRO CN(C)c1ccc([C@@H](CNc2ncnc3ncccc32)[NH+](C)C)cc1 ZINC000899262445 1109267412 /nfs/dbraw/zinc/26/74/12/1109267412.db2.gz LFJAFJAULNYCSX-QGZVFWFLSA-N 1 0 336.443 2.806 20 10 EFCDRO CN(C)c1ccc([C@H](CNc2ncnc3ccncc32)[NH+](C)C)cc1 ZINC000899262963 1109268061 /nfs/dbraw/zinc/26/80/61/1109268061.db2.gz WXUWHXHYLIVKFL-SFHVURJKSA-N 1 0 336.443 2.806 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3CCCC[NH2+]3)c2C)cc1 ZINC000237506753 1109786217 /nfs/dbraw/zinc/78/62/17/1109786217.db2.gz IZPPGAROLGQZDB-INIZCTEOSA-N 1 0 341.455 2.975 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CCCF)C[C@H]2C)cc1C ZINC001106541466 1111615255 /nfs/dbraw/zinc/61/52/55/1111615255.db2.gz VMDKTBVDRUCYFM-NVXWUHKLSA-N 1 0 336.451 2.937 20 10 EFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]23CCN(CC(F)(F)F)C3=O)c1 ZINC001272622552 1111759294 /nfs/dbraw/zinc/75/92/94/1111759294.db2.gz NJCWTPNVQDDOEC-INIZCTEOSA-N 1 0 342.361 2.830 20 10 EFCDRO CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(OC)c2O)C1=O ZINC001272624752 1111763452 /nfs/dbraw/zinc/76/34/52/1111763452.db2.gz BORKILHSRIRJRR-IBGZPJMESA-N 1 0 332.444 2.768 20 10 EFCDRO CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cccc(OC)c2O)C1=O ZINC001272624753 1111764667 /nfs/dbraw/zinc/76/46/67/1111764667.db2.gz BORKILHSRIRJRR-LJQANCHMSA-N 1 0 332.444 2.768 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2CCCC2)c(O)c1 ZINC001272625501 1111765083 /nfs/dbraw/zinc/76/50/83/1111765083.db2.gz LEFZGWJRPXWNJJ-QZTJIDSGSA-N 1 0 344.455 2.909 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@]3(CCN(CC=C(C)C)C3=O)C2)c1O ZINC001272625462 1111765117 /nfs/dbraw/zinc/76/51/17/1111765117.db2.gz KNMRMKZXKIIQQK-FQEVSTJZSA-N 1 0 344.455 2.791 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@]23CCN(CC(C)C)C3=O)c1O ZINC001272625101 1111765917 /nfs/dbraw/zinc/76/59/17/1111765917.db2.gz HWFYFDSDDSYMSO-LJQANCHMSA-N 1 0 332.444 2.624 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@]23CCN(C2CCCC2)C3=O)c1O ZINC001272625221 1111765942 /nfs/dbraw/zinc/76/59/42/1111765942.db2.gz ISHBBGOGLFQAJV-HXUWFJFHSA-N 1 0 344.455 2.910 20 10 EFCDRO CCCCN1CC[C@]2(CC[N@H+](Cc3ccc(OC)cc3O)C2)C1=O ZINC001272625243 1111765989 /nfs/dbraw/zinc/76/59/89/1111765989.db2.gz JBZBHBCBNHEILJ-IBGZPJMESA-N 1 0 332.444 2.625 20 10 EFCDRO CC[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(OC)cc2O)C1=O ZINC001272625882 1111767166 /nfs/dbraw/zinc/76/71/66/1111767166.db2.gz PLZWIMCGDPPCMY-IFXJQAMLSA-N 1 0 332.444 2.766 20 10 EFCDRO CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(OC)c1O ZINC001272626305 1111768413 /nfs/dbraw/zinc/76/84/13/1111768413.db2.gz WBNWHBISHLIDFF-HZPDHXFCSA-N 1 0 332.444 2.766 20 10 EFCDRO CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC001272626483 1111768514 /nfs/dbraw/zinc/76/85/14/1111768514.db2.gz YSEGVILKYISKKX-INIZCTEOSA-N 1 0 346.471 2.919 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC=C(C)C)c1 ZINC001272637640 1111789199 /nfs/dbraw/zinc/78/91/99/1111789199.db2.gz MHJHLQMHXKEXCK-QZTJIDSGSA-N 1 0 344.455 2.932 20 10 EFCDRO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(OC)ccc1O ZINC001272638794 1111797862 /nfs/dbraw/zinc/79/78/62/1111797862.db2.gz UYWZKFZQAQNMRH-KBRIMQKVSA-N 1 0 332.444 2.765 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@]23CCN(CC(C)C)C3=O)c1 ZINC001272639284 1111798894 /nfs/dbraw/zinc/79/88/94/1111798894.db2.gz YEDKNKWBNXOKGF-IBGZPJMESA-N 1 0 332.444 2.624 20 10 EFCDRO CC[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(OC)ccc1O)CC2 ZINC001272639335 1111798958 /nfs/dbraw/zinc/79/89/58/1111798958.db2.gz YYKXDNZHFVGMFZ-PBHICJAKSA-N 1 0 346.471 2.918 20 10 EFCDRO CC[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(O)c(C)c1O)CC2 ZINC001272657818 1111932728 /nfs/dbraw/zinc/93/27/28/1111932728.db2.gz NPPFVIRVLCNNGJ-CZUORRHYSA-N 1 0 346.471 2.923 20 10 EFCDRO CC[C@H](C)N1CC[C@]2(CC[N@H+](Cc3ccc(O)c(C)c3O)C2)C1=O ZINC001272658297 1111935078 /nfs/dbraw/zinc/93/50/78/1111935078.db2.gz ZKLISHXCRKVFBN-DJJJIMSYSA-N 1 0 332.444 2.629 20 10 EFCDRO CC[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3ccc(O)c(C)c3O)C2)C1=O ZINC001272658299 1111935152 /nfs/dbraw/zinc/93/51/52/1111935152.db2.gz ZKLISHXCRKVFBN-YJYMSZOUSA-N 1 0 332.444 2.629 20 10 EFCDRO Cc1c(O)ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCC(C)C)CC2)c1O ZINC001272661166 1111957048 /nfs/dbraw/zinc/95/70/48/1111957048.db2.gz ZPYWBSZSYHKOTK-INIZCTEOSA-N 1 0 346.471 2.781 20 10 EFCDRO Cc1c(O)ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC(C)C)CC2)c1O ZINC001272661168 1111957139 /nfs/dbraw/zinc/95/71/39/1111957139.db2.gz ZPYWBSZSYHKOTK-MRXNPFEDSA-N 1 0 346.471 2.781 20 10 EFCDRO C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccccc1O ZINC000154208905 1111991592 /nfs/dbraw/zinc/99/15/92/1111991592.db2.gz DGJCFUKWNPCMBO-CYBMUJFWSA-N 1 0 335.425 2.525 20 10 EFCDRO CO[C@@H]1CC[N@H+](Cc2cc(O)c(Br)cc2O)[C@H](C)C1 ZINC001236763826 1117924689 /nfs/dbraw/zinc/92/46/89/1117924689.db2.gz CMRVSUQTCFLCST-MWLCHTKSSA-N 1 0 330.222 2.860 20 10 EFCDRO CO[C@H]1CC[N@H+](Cc2cc(O)c(Br)cc2O)[C@H](C)C1 ZINC001236763819 1117924799 /nfs/dbraw/zinc/92/47/99/1117924799.db2.gz CMRVSUQTCFLCST-KOLCDFICSA-N 1 0 330.222 2.860 20 10 EFCDRO C[NH+](C)CCCCC(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089834995 1118076450 /nfs/dbraw/zinc/07/64/50/1118076450.db2.gz PDYOLIZBDWYITR-UHFFFAOYSA-N 1 0 348.466 2.595 20 10 EFCDRO CCCN(Cc1c(O)cccc1Br)C[C@H]1CC[NH2+]C1 ZINC001236836942 1118160817 /nfs/dbraw/zinc/16/08/17/1118160817.db2.gz ZKVPTGRIHIAITR-LBPRGKRZSA-N 1 0 327.266 2.976 20 10 EFCDRO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@]12CCN(Cc1ccc(N(C)C)cc1)C2=O ZINC001272699260 1118247455 /nfs/dbraw/zinc/24/74/55/1118247455.db2.gz FAXKEVXVUGBBRY-BLIXFSHQSA-N 1 0 341.499 2.976 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C(F)F)CC2(C)C)cc1C ZINC000995307903 1119247081 /nfs/dbraw/zinc/24/70/81/1119247081.db2.gz FZGPRMRCFJIQNZ-CQSZACIVSA-N 1 0 326.387 2.595 20 10 EFCDRO O=C(NCCCSc1nccs1)C1CC[NH+](C2CC2)CC1 ZINC000194602188 1119503461 /nfs/dbraw/zinc/50/34/61/1119503461.db2.gz DNNBRHKPDJDMBW-UHFFFAOYSA-N 1 0 325.503 2.616 20 10 EFCDRO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cc(F)ccc1O ZINC000185063939 1119706319 /nfs/dbraw/zinc/70/63/19/1119706319.db2.gz UGNIRZVZVBMVEU-ZDUSSCGKSA-N 1 0 346.402 2.849 20 10 EFCDRO CN(C)c1ccc(CN[C@@H]2CCS(=O)(=O)c3ccc(F)cc32)cc1 ZINC000325025917 1119887743 /nfs/dbraw/zinc/88/77/43/1119887743.db2.gz HLAGAWURIRTWDC-QGZVFWFLSA-N 1 0 348.443 2.900 20 10 EFCDRO CC[C@H](C)C[NH+]1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001032215035 1120285933 /nfs/dbraw/zinc/28/59/33/1120285933.db2.gz DFNLEYUQAPXKMJ-LBPRGKRZSA-N 1 0 331.420 2.557 20 10 EFCDRO Cc1ccc(O)c(C[NH+]2CCN(c3nccc(C(C)C)n3)CC2)c1 ZINC000185656052 1120404543 /nfs/dbraw/zinc/40/45/43/1120404543.db2.gz AKQBFIAUPHPGAV-UHFFFAOYSA-N 1 0 326.444 2.936 20 10 EFCDRO Cc1cccc(C[NH+]2CCN(c3nccc(C(C)C)n3)CC2)c1O ZINC000185656676 1120404919 /nfs/dbraw/zinc/40/49/19/1120404919.db2.gz BDQXEOVDBNOKOR-UHFFFAOYSA-N 1 0 326.444 2.936 20 10 EFCDRO C[C@@H]1C[N@H+](CCCF)CC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945219927 1120678848 /nfs/dbraw/zinc/67/88/48/1120678848.db2.gz DQRCOSKGIJEBOW-IUODEOHRSA-N 1 0 349.410 2.649 20 10 EFCDRO C[N@H+](CCNC(=O)NCc1ccc(N2CCCC2)cc1)C1CCCC1 ZINC000170922718 529914849 /nfs/dbraw/zinc/91/48/49/529914849.db2.gz CCCRUBUYMRADHO-UHFFFAOYSA-N 1 0 344.503 2.960 20 10 EFCDRO CC[C@@H]([NH2+]C[C@H]1COCCO1)c1cc(Br)ccc1O ZINC000038060459 213199711 /nfs/dbraw/zinc/19/97/11/213199711.db2.gz ATCWMASNWQFXQG-WCQYABFASA-N 1 0 330.222 2.611 20 10 EFCDRO C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000187726595 299272799 /nfs/dbraw/zinc/27/27/99/299272799.db2.gz JFCASLRJTNCXJC-QWHCGFSZSA-N 1 0 340.414 2.822 20 10 EFCDRO COc1cc(O)c(CN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000158867743 239017706 /nfs/dbraw/zinc/01/77/06/239017706.db2.gz WBIDLJIRXYDVNC-KRWDZBQOSA-N 1 0 342.439 2.898 20 10 EFCDRO Cc1nccn1CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000163103041 239102291 /nfs/dbraw/zinc/10/22/91/239102291.db2.gz OAAGBFOXEXUPTO-SFHVURJKSA-N 1 0 329.444 2.968 20 10 EFCDRO C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H]([NH3+])c1ccccc1 ZINC000166459065 239123099 /nfs/dbraw/zinc/12/30/99/239123099.db2.gz JVKNQUJAJGAHLO-UGSOOPFHSA-N 1 0 329.419 2.844 20 10 EFCDRO Cc1ccc(NC(=O)Cc2ccc(N)cc2)c(OCC[NH+](C)C)c1 ZINC000169087479 239127113 /nfs/dbraw/zinc/12/71/13/239127113.db2.gz WMZNIKUFPSIWIT-UHFFFAOYSA-N 1 0 327.428 2.699 20 10 EFCDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000175861974 239288815 /nfs/dbraw/zinc/28/88/15/239288815.db2.gz FPJOOGMKEJISEL-IEBWSBKVSA-N 1 0 344.503 2.959 20 10 EFCDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000176301524 239309860 /nfs/dbraw/zinc/30/98/60/239309860.db2.gz XHAMKSKGRHQDRU-IEBWSBKVSA-N 1 0 342.487 2.735 20 10 EFCDRO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c(O)c1O ZINC000177664794 239385822 /nfs/dbraw/zinc/38/58/22/239385822.db2.gz IDUUVVMVYZGALH-UHFFFAOYSA-N 1 0 340.423 2.754 20 10 EFCDRO O=C1O[C@H](C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)CC12CCC2 ZINC000192102191 240025713 /nfs/dbraw/zinc/02/57/13/240025713.db2.gz XBYVMPLJTNNFJX-SJORKVTESA-N 1 0 345.439 2.859 20 10 EFCDRO C[C@@H](CCNC(=O)Cc1ccc(N)cc1)[N@H+](C)Cc1ccccc1 ZINC000237560375 240246153 /nfs/dbraw/zinc/24/61/53/240246153.db2.gz XHUFDZBEVPNCHO-INIZCTEOSA-N 1 0 325.456 2.838 20 10 EFCDRO Cc1cc(C(=O)NC[C@H]2CCC[NH2+]C2)c(C)n1-c1ccc(F)cc1 ZINC000237742496 240246288 /nfs/dbraw/zinc/24/62/88/240246288.db2.gz IOHFGUAGQZAFER-HNNXBMFYSA-N 1 0 329.419 2.963 20 10 EFCDRO Cc1ccccc1C[NH+]1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000237727964 240246973 /nfs/dbraw/zinc/24/69/73/240246973.db2.gz MNSYOIWVEQUBIZ-UHFFFAOYSA-N 1 0 337.467 2.901 20 10 EFCDRO CC[C@H]([NH2+]C[C@@H](COC)OC)c1cc(Br)ccc1O ZINC000229574283 240233898 /nfs/dbraw/zinc/23/38/98/240233898.db2.gz ORNBFWIVRJJXLS-AAEUAGOBSA-N 1 0 332.238 2.857 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)cc1F ZINC000236956690 240236899 /nfs/dbraw/zinc/23/68/99/240236899.db2.gz LPCBWQNSPSGTSN-OAHLLOKOSA-N 1 0 333.451 2.678 20 10 EFCDRO CC[NH+](CC)Cc1cccc(CNC(=O)Cc2ccc(N)cc2)c1 ZINC000236922913 240237088 /nfs/dbraw/zinc/23/70/88/240237088.db2.gz OCBKXWALJZKXAC-UHFFFAOYSA-N 1 0 325.456 2.970 20 10 EFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237150903 240237956 /nfs/dbraw/zinc/23/79/56/240237956.db2.gz LBHHWDOWSIVCFZ-MRXNPFEDSA-N 1 0 325.412 2.568 20 10 EFCDRO CN(C(=O)Cc1ccc(N)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237269706 240240336 /nfs/dbraw/zinc/24/03/36/240240336.db2.gz PUWDWEFIDDTLJZ-HXUWFJFHSA-N 1 0 337.467 2.934 20 10 EFCDRO COc1cccc(C[NH2+]Cc2ccccc2N2CCOCC2)c1O ZINC000237388838 240243766 /nfs/dbraw/zinc/24/37/66/240243766.db2.gz PKJLPFVKBGNTQZ-UHFFFAOYSA-N 1 0 328.412 2.527 20 10 EFCDRO Oc1ccc(Br)cc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000250855932 240305086 /nfs/dbraw/zinc/30/50/86/240305086.db2.gz GNXOFHLCWMVSHM-AWEZNQCLSA-N 1 0 325.250 2.825 20 10 EFCDRO C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@@H]1OCCc2ccccc21 ZINC000263853704 240392745 /nfs/dbraw/zinc/39/27/45/240392745.db2.gz ZIQQNMMAKVXZJJ-IBGZPJMESA-N 1 0 327.380 2.867 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)c(O)c1C ZINC000273467673 240703229 /nfs/dbraw/zinc/70/32/29/240703229.db2.gz JAQSYWRVXOIUJG-YPMHNXCESA-N 1 0 330.350 2.823 20 10 EFCDRO CCOCc1cc(C[NH2+]CC2([S@@](C)=O)CCC2)ccc1OC ZINC000280561824 240876503 /nfs/dbraw/zinc/87/65/03/240876503.db2.gz FWWHXRCAOQSCIB-JOCHJYFZSA-N 1 0 325.474 2.623 20 10 EFCDRO Cc1cccc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)c1O ZINC000281324267 240929615 /nfs/dbraw/zinc/92/96/15/240929615.db2.gz RNRVEOFJPBPSGU-UHFFFAOYSA-N 1 0 330.350 2.591 20 10 EFCDRO CCOCc1cc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)ccc1OC ZINC000288455342 241010604 /nfs/dbraw/zinc/01/06/04/241010604.db2.gz DIYMRRPOPIQFOU-PXNSSMCTSA-N 1 0 343.423 2.816 20 10 EFCDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H](C)[N@H+]1C ZINC000296312930 241081209 /nfs/dbraw/zinc/08/12/09/241081209.db2.gz KYPXWXPZCXHOLY-IYBDPMFKSA-N 1 0 330.476 2.521 20 10 EFCDRO O=C(NCC[NH2+][C@H]1CCc2cccc(O)c21)c1c(F)cccc1F ZINC000296659158 241094518 /nfs/dbraw/zinc/09/45/18/241094518.db2.gz FBYHUZAWRDMOCO-AWEZNQCLSA-N 1 0 332.350 2.677 20 10 EFCDRO O=C1[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCN1c1ccccc1F ZINC000297082983 241110286 /nfs/dbraw/zinc/11/02/86/241110286.db2.gz WWBVPYGQISRGOT-HUUCEWRRSA-N 1 0 326.371 2.914 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000294731144 241050550 /nfs/dbraw/zinc/05/05/50/241050550.db2.gz GHLDTLUIJMIPSM-QLFBSQMISA-N 1 0 340.423 2.743 20 10 EFCDRO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295757249 241061391 /nfs/dbraw/zinc/06/13/91/241061391.db2.gz ONSSURSIATVONV-FQEVSTJZSA-N 1 0 346.471 2.829 20 10 EFCDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000298414725 241151602 /nfs/dbraw/zinc/15/16/02/241151602.db2.gz XGXGLISADDWLCJ-MOPGFXCFSA-N 1 0 346.471 2.543 20 10 EFCDRO CN(C)c1ccc(CNC(=O)C[NH2+]C2(c3cccc(F)c3)CC2)cc1 ZINC000298879629 241162072 /nfs/dbraw/zinc/16/20/72/241162072.db2.gz KAQSBFACLFUGKW-UHFFFAOYSA-N 1 0 341.430 2.787 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNc3cc(C)ncn3)cc2F)CC1 ZINC000301227198 241186110 /nfs/dbraw/zinc/18/61/10/241186110.db2.gz CLACIBWTQIWKSG-UHFFFAOYSA-N 1 0 329.423 2.678 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNc3ncc(C)c(C)n3)cc2F)CC1 ZINC000301875231 241188845 /nfs/dbraw/zinc/18/88/45/241188845.db2.gz JXLRDMBUXAJLQO-UHFFFAOYSA-N 1 0 343.450 2.987 20 10 EFCDRO Cc1c2ccccc2n(C)c1C[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000355122202 242020207 /nfs/dbraw/zinc/02/02/07/242020207.db2.gz IRQSBGIKTGLFCY-UHFFFAOYSA-N 1 0 328.460 2.722 20 10 EFCDRO C[C@H]([NH2+]Cc1ccccc1O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000363256841 242274624 /nfs/dbraw/zinc/27/46/24/242274624.db2.gz PSVNTLCHWOQPQO-OXJNMPFZSA-N 1 0 326.440 2.771 20 10 EFCDRO C[C@H]([NH2+]Cc1ccccc1O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000363256840 242274841 /nfs/dbraw/zinc/27/48/41/242274841.db2.gz PSVNTLCHWOQPQO-JXFKEZNVSA-N 1 0 326.440 2.771 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1O ZINC000363912900 242286304 /nfs/dbraw/zinc/28/63/04/242286304.db2.gz ZJMOWDJEAOWVHU-GFCCVEGCSA-N 1 0 335.835 2.852 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCC34CCOCC4)cc2F)CC1 ZINC000367065001 242373353 /nfs/dbraw/zinc/37/33/53/242373353.db2.gz GPSLNCKXCMTYSB-IBGZPJMESA-N 1 0 348.462 2.836 20 10 EFCDRO O[C@H]1CCC[C@H]1[NH+]1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000367460676 242383532 /nfs/dbraw/zinc/38/35/32/242383532.db2.gz GYXQNVWRQLGCKB-RTWAWAEBSA-N 1 0 343.515 2.708 20 10 EFCDRO c1ncn(CC[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)n1 ZINC000367539838 242384163 /nfs/dbraw/zinc/38/41/63/242384163.db2.gz FASOTNDCMGTNTE-UHFFFAOYSA-N 1 0 333.439 2.631 20 10 EFCDRO CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1[O-] ZINC000367616619 242386472 /nfs/dbraw/zinc/38/64/72/242386472.db2.gz LQSUHNKRYSRYSJ-YJBOKZPZSA-N 1 0 335.467 2.741 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1cc(Br)ccc1O ZINC000185028593 296147352 /nfs/dbraw/zinc/14/73/52/296147352.db2.gz FDNFLOTZUKQSPM-NWDGAFQWSA-N 1 0 343.265 2.526 20 10 EFCDRO COc1cc2c(cc1OC)CC[NH+](CCc1ccc(N)cc1)CC2 ZINC000000000830 208548218 /nfs/dbraw/zinc/54/82/18/208548218.db2.gz BTCHMHMCMKZOQS-UHFFFAOYSA-N 1 0 326.440 2.929 20 10 in-man EFCDRO CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000187698984 285323373 /nfs/dbraw/zinc/32/33/73/285323373.db2.gz HZTRRDNPBHLCNL-KGLIPLIRSA-N 1 0 341.446 2.595 20 10 EFCDRO COC(=O)C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000159176517 533294159 /nfs/dbraw/zinc/29/41/59/533294159.db2.gz WPBPNLDAKIQBRX-UHFFFAOYSA-N 1 0 328.206 2.540 20 10 EFCDRO C[C@@H]([NH2+]CCS(C)(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000178134769 533401858 /nfs/dbraw/zinc/40/18/58/533401858.db2.gz ZQEJDCDPVSPLHS-CYBMUJFWSA-N 1 0 328.453 2.511 20 10 EFCDRO C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(N(C)C)cc1 ZINC000154412402 533427326 /nfs/dbraw/zinc/42/73/26/533427326.db2.gz MQYOUAXXXHZPKE-APWZRJJASA-N 1 0 349.544 2.611 20 10 EFCDRO COc1cccc(CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1O ZINC000173892854 533497239 /nfs/dbraw/zinc/49/72/39/533497239.db2.gz LHYZTPGCYRDFQW-HNNXBMFYSA-N 1 0 349.475 2.855 20 10 EFCDRO CSCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000167863515 533645636 /nfs/dbraw/zinc/64/56/36/533645636.db2.gz VMWICEHQISAORC-KRWDZBQOSA-N 1 0 335.517 2.620 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccc(Br)cc1O ZINC000185029020 287048678 /nfs/dbraw/zinc/04/86/78/287048678.db2.gz ORYMOXZWQBGUNB-NWDGAFQWSA-N 1 0 343.265 2.526 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000272768748 276341410 /nfs/dbraw/zinc/34/14/10/276341410.db2.gz PUMHBYBWKANGPD-MRXNPFEDSA-N 1 0 344.503 2.982 20 10 EFCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000297011943 276393241 /nfs/dbraw/zinc/39/32/41/276393241.db2.gz UACJDDFQZXMMDR-INIZCTEOSA-N 1 0 331.437 2.963 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc2ccccc2c1O ZINC000273621445 278368924 /nfs/dbraw/zinc/36/89/24/278368924.db2.gz ZDTHUWOUIHBWGS-UKRRQHHQSA-N 1 0 348.468 2.620 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@H](C)C(=O)NCc2ccco2)c(O)c1 ZINC000111399471 473211115 /nfs/dbraw/zinc/21/11/15/473211115.db2.gz CENSXWDVIJBYPT-ZDUSSCGKSA-N 1 0 332.400 2.569 20 10 EFCDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000184947283 473281169 /nfs/dbraw/zinc/28/11/69/473281169.db2.gz CVPXRAHHKZZQOJ-GTNSWQLSSA-N 1 0 335.375 2.933 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)c1 ZINC000184964608 473284911 /nfs/dbraw/zinc/28/49/11/473284911.db2.gz MOVQUOYVIJTLCL-CQSZACIVSA-N 1 0 348.468 2.802 20 10 EFCDRO O=C1[C@H]([NH2+]Cc2ccccc2O)CCCN1Cc1ccc(F)cc1F ZINC000190475431 473286635 /nfs/dbraw/zinc/28/66/35/473286635.db2.gz MRDARQFPVMFHRF-QGZVFWFLSA-N 1 0 346.377 2.951 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)c2ccc(C)c(F)c2)c1 ZINC000184981796 473290722 /nfs/dbraw/zinc/29/07/22/473290722.db2.gz GCUCDKJIMYIMAW-CYBMUJFWSA-N 1 0 346.402 2.929 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000184991941 473294718 /nfs/dbraw/zinc/29/47/18/473294718.db2.gz SWIBOQUYTRMZNW-VQIMIIECSA-N 1 0 340.467 2.770 20 10 EFCDRO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185109613 473330259 /nfs/dbraw/zinc/33/02/59/473330259.db2.gz JBVLNMODFJSOFG-QWRGUYRKSA-N 1 0 341.249 2.816 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000185110539 473332053 /nfs/dbraw/zinc/33/20/53/473332053.db2.gz FTWFZOGDJUMUFA-CQSZACIVSA-N 1 0 348.468 2.802 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)c(O)c1 ZINC000185141085 473341188 /nfs/dbraw/zinc/34/11/88/473341188.db2.gz DCYREARORHVXGU-MAUKXSAKSA-N 1 0 336.501 2.559 20 10 EFCDRO CN(CC[N@H+](C)C1CC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000185169869 473351472 /nfs/dbraw/zinc/35/14/72/473351472.db2.gz SAUKLGCDLOMCEK-UHFFFAOYSA-N 1 0 330.476 2.522 20 10 EFCDRO CC[C@@H]([NH2+]CC(C)(C)C(=O)NC)c1cc(Br)ccc1O ZINC000185214208 473364604 /nfs/dbraw/zinc/36/46/04/473364604.db2.gz MWMBZZKCTGFFTL-GFCCVEGCSA-N 1 0 343.265 2.968 20 10 EFCDRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N(CC3CC3)c3cccc(F)c3)c21 ZINC000602578242 479407418 /nfs/dbraw/zinc/40/74/18/479407418.db2.gz MCDAONRJBMHKIL-CQSZACIVSA-N 1 0 342.418 2.915 20 10 EFCDRO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1cc2c(cc1O)OCO2 ZINC000008718489 471701368 /nfs/dbraw/zinc/70/13/68/471701368.db2.gz OIBPARHVNARCCP-UHFFFAOYSA-N 1 0 329.352 2.524 20 10 EFCDRO COc1ccc(N2CC[NH+](CC[C@H](O)c3ccccc3)CC2)cc1 ZINC000013861715 471845195 /nfs/dbraw/zinc/84/51/95/471845195.db2.gz XJDBPHRIKPQDFL-FQEVSTJZSA-N 1 0 326.440 2.941 20 10 EFCDRO Oc1ccccc1N1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000021998516 472009261 /nfs/dbraw/zinc/00/92/61/472009261.db2.gz FYNKOXYBQLQOLF-UHFFFAOYSA-N 1 0 335.407 2.968 20 10 EFCDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000075538636 472153696 /nfs/dbraw/zinc/15/36/96/472153696.db2.gz YJGLIBWHNGCHBW-QGZVFWFLSA-N 1 0 332.492 2.626 20 10 EFCDRO CCC[N@H+](Cc1ccccc1O)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000076074154 472262110 /nfs/dbraw/zinc/26/21/10/472262110.db2.gz KGQWHNJAXABYID-KRWDZBQOSA-N 1 0 342.443 2.533 20 10 EFCDRO CC[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000089619065 472470643 /nfs/dbraw/zinc/47/06/43/472470643.db2.gz CAEADYMUJYJSGV-GJZGRUSLSA-N 1 0 343.393 2.957 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)Cc2cnc(N3CCOCC3)s2)cc1 ZINC000155183506 472518625 /nfs/dbraw/zinc/51/86/25/472518625.db2.gz QLIXWJPGYYYFFJ-UHFFFAOYSA-N 1 0 346.500 2.678 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000119046609 472521453 /nfs/dbraw/zinc/52/14/53/472521453.db2.gz MATGOCIPXNLNKO-UHFFFAOYSA-N 1 0 329.488 2.977 20 10 EFCDRO CC[C@H]([NH2+]CCNC(=O)C1CC1)c1cc(Br)ccc1O ZINC000119121963 472528332 /nfs/dbraw/zinc/52/83/32/472528332.db2.gz RCBSMOMCWUJVJX-ZDUSSCGKSA-N 1 0 341.249 2.722 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH+](C3CCOCC3)CC2)cc1F ZINC000129752444 472562896 /nfs/dbraw/zinc/56/28/96/472562896.db2.gz PYAUWNMTLSQVGI-UHFFFAOYSA-N 1 0 349.494 2.969 20 10 EFCDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(N(C)C)c(F)c1)CC2 ZINC000130232370 472592291 /nfs/dbraw/zinc/59/22/91/472592291.db2.gz SFKYQHQHPNJOHU-MSOLQXFVSA-N 1 0 336.451 2.644 20 10 EFCDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000120027845 472618438 /nfs/dbraw/zinc/61/84/38/472618438.db2.gz AQOQZZWVUNHDDE-GFCCVEGCSA-N 1 0 332.375 2.507 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000130716620 472623060 /nfs/dbraw/zinc/62/30/60/472623060.db2.gz HHBTYRNMNCCZNF-GOEBONIOSA-N 1 0 331.460 2.939 20 10 EFCDRO C[C@H]([NH2+]CCNC(=O)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000130904126 472635218 /nfs/dbraw/zinc/63/52/18/472635218.db2.gz JJXKAIFBQKXKGP-AWEZNQCLSA-N 1 0 329.419 2.972 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047106255 472656050 /nfs/dbraw/zinc/65/60/50/472656050.db2.gz XHXHHONGRMLXLH-RBUKOAKNSA-N 1 0 344.503 2.911 20 10 EFCDRO COc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)ccn1 ZINC000131694201 472686251 /nfs/dbraw/zinc/68/62/51/472686251.db2.gz MUIQMRSNLMFMPF-AWEZNQCLSA-N 1 0 345.418 2.917 20 10 EFCDRO COCCCOCC[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000091102283 472706691 /nfs/dbraw/zinc/70/66/91/472706691.db2.gz JPWWXGCINYKIPR-UHFFFAOYSA-N 1 0 329.824 2.733 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000131969388 472707192 /nfs/dbraw/zinc/70/71/92/472707192.db2.gz XLIHVVIOIFUIBA-DYESRHJHSA-N 1 0 340.467 2.777 20 10 EFCDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000120669377 472728523 /nfs/dbraw/zinc/72/85/23/472728523.db2.gz PULXXVFDERQMIE-LPHOPBHVSA-N 1 0 342.487 2.544 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000105269198 472738455 /nfs/dbraw/zinc/73/84/55/472738455.db2.gz RULNBBKQQROLTM-OAHLLOKOSA-N 1 0 332.492 2.767 20 10 EFCDRO C[C@](O)(C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1Cl ZINC000156670431 472738945 /nfs/dbraw/zinc/73/89/45/472738945.db2.gz RLCRAGXUSKFHSB-KRWDZBQOSA-N 1 0 335.787 2.772 20 10 EFCDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(C)n1-c1ccccn1 ZINC000105319009 472744988 /nfs/dbraw/zinc/74/49/88/472744988.db2.gz JBTMBMYGNJQRQS-INIZCTEOSA-N 1 0 338.455 2.703 20 10 EFCDRO CC[C@H]([NH2+]CC[C@@H](O)COC)c1cc(Br)ccc1O ZINC000156986183 472772929 /nfs/dbraw/zinc/77/29/29/472772929.db2.gz KJBKYNWAQMGPNQ-YPMHNXCESA-N 1 0 332.238 2.593 20 10 EFCDRO Cc1cc(C(=O)NCCC[N@@H+](C)C(C)C)c(C)n1-c1ccccn1 ZINC000063738102 472809280 /nfs/dbraw/zinc/80/92/80/472809280.db2.gz RCUSKSCWFKNOOV-UHFFFAOYSA-N 1 0 328.460 2.949 20 10 EFCDRO Oc1ccc(Br)cc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000091855641 472816188 /nfs/dbraw/zinc/81/61/88/472816188.db2.gz VUDVMLNADFPHMY-GXTWGEPZSA-N 1 0 344.274 2.861 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000121270783 472826597 /nfs/dbraw/zinc/82/65/97/472826597.db2.gz JTQCJZZOISZGDU-IBGZPJMESA-N 1 0 344.503 2.913 20 10 EFCDRO COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)Cc2ccccc2O)cc1 ZINC000091974653 472835299 /nfs/dbraw/zinc/83/52/99/472835299.db2.gz VXPNDLZVNJERIK-AWEZNQCLSA-N 1 0 329.396 2.965 20 10 EFCDRO COc1cccc(CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1O ZINC000073658768 472847056 /nfs/dbraw/zinc/84/70/56/472847056.db2.gz RUBSZUYHEJHAGA-CQSZACIVSA-N 1 0 349.456 2.564 20 10 EFCDRO COc1cccc(CNC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000073662104 472848745 /nfs/dbraw/zinc/84/87/45/472848745.db2.gz MWHDBRDPUAKMDZ-GASCZTMLSA-N 1 0 349.475 2.568 20 10 EFCDRO Cc1cnccc1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000121448338 472853700 /nfs/dbraw/zinc/85/37/00/472853700.db2.gz MSAASLCFHAWLHX-UHFFFAOYSA-N 1 0 326.400 2.548 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000121499882 472861166 /nfs/dbraw/zinc/86/11/66/472861166.db2.gz PTEVJURLYKCDKM-LLVKDONJSA-N 1 0 341.249 2.503 20 10 EFCDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000073721964 472861521 /nfs/dbraw/zinc/86/15/21/472861521.db2.gz AXLWWYCQLYJMMO-GOSISDBHSA-N 1 0 330.476 2.570 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCC[NH2+]C1 ZINC000121500027 472862085 /nfs/dbraw/zinc/86/20/85/472862085.db2.gz PTEVJURLYKCDKM-NSHDSACASA-N 1 0 341.249 2.503 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079460481 472868240 /nfs/dbraw/zinc/86/82/40/472868240.db2.gz VVXHXOFQQAHSOP-KRWDZBQOSA-N 1 0 344.503 2.768 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000134084769 472872736 /nfs/dbraw/zinc/87/27/36/472872736.db2.gz DBRBCGVEYBKQDS-SFHVURJKSA-N 1 0 346.519 2.872 20 10 EFCDRO COCCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134263580 472889181 /nfs/dbraw/zinc/88/91/81/472889181.db2.gz DKOSFPMYZXFYPI-HNNXBMFYSA-N 1 0 340.851 2.553 20 10 EFCDRO COc1cccc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c1O ZINC000092485026 472921726 /nfs/dbraw/zinc/92/17/26/472921726.db2.gz MKDMPKVFHPCSMH-UHFFFAOYSA-N 1 0 346.452 2.857 20 10 EFCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000092710469 472971354 /nfs/dbraw/zinc/97/13/54/472971354.db2.gz JFPMEAHNDBVULY-OAHLLOKOSA-N 1 0 334.460 2.919 20 10 EFCDRO COc1cccc([C@@H](C[NH2+]Cc2cccc(OC)c2O)N(C)C)c1 ZINC000074314405 472984044 /nfs/dbraw/zinc/98/40/44/472984044.db2.gz ZOMMVXSNTIWHFT-QGZVFWFLSA-N 1 0 330.428 2.802 20 10 EFCDRO COc1cccc(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)c1O ZINC000074335654 472991782 /nfs/dbraw/zinc/99/17/82/472991782.db2.gz ALMQIPSFIBKLDI-UHFFFAOYSA-N 1 0 326.396 2.817 20 10 EFCDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000066125327 473047254 /nfs/dbraw/zinc/04/72/54/473047254.db2.gz JIXRTXACRBPMGA-AWEZNQCLSA-N 1 0 328.460 2.949 20 10 EFCDRO COCCOC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000093339284 473088213 /nfs/dbraw/zinc/08/82/13/473088213.db2.gz OWMGXXAITBGXDH-UHFFFAOYSA-N 1 0 344.249 2.782 20 10 EFCDRO Cc1cc(C(=O)N2CC[NH+](C(C)C)CC2)c(C)n1-c1ccccn1 ZINC000066484470 473103911 /nfs/dbraw/zinc/10/39/11/473103911.db2.gz GNSAQOBGFOEGAY-UHFFFAOYSA-N 1 0 326.444 2.655 20 10 EFCDRO CCOc1cccc(C[N@H+](C)[C@H](CO)c2ccc(OC)cc2)c1O ZINC000093415493 473104571 /nfs/dbraw/zinc/10/45/71/473104571.db2.gz HWPHOEZUNVPAIZ-QGZVFWFLSA-N 1 0 331.412 2.965 20 10 EFCDRO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466700 473110084 /nfs/dbraw/zinc/11/00/84/473110084.db2.gz PGZHNOOMKPZYLX-HZPDHXFCSA-N 1 0 333.476 2.511 20 10 EFCDRO CCCCNC(=O)[C@H](C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466717 473111616 /nfs/dbraw/zinc/11/16/16/473111616.db2.gz CWDKKMBRFZFRJS-INIZCTEOSA-N 1 0 333.476 2.512 20 10 EFCDRO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)c1 ZINC000109770258 473119449 /nfs/dbraw/zinc/11/94/49/473119449.db2.gz SWELMVLFCZHCTF-CYBMUJFWSA-N 1 0 344.411 2.868 20 10 EFCDRO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+](C)Cc1ccccc1O ZINC000109770860 473119836 /nfs/dbraw/zinc/11/98/36/473119836.db2.gz ZUPLWGFUAGAUME-ZDUSSCGKSA-N 1 0 342.395 2.622 20 10 EFCDRO COc1cccc(CNC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)c1 ZINC000109769012 473120776 /nfs/dbraw/zinc/12/07/76/473120776.db2.gz NZYNNITVBBILPR-AWEZNQCLSA-N 1 0 328.412 2.538 20 10 EFCDRO NC(=O)c1cccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000109761730 473120844 /nfs/dbraw/zinc/12/08/44/473120844.db2.gz XDOLOKYVBHNHJD-SFHVURJKSA-N 1 0 340.423 2.672 20 10 EFCDRO CCCOc1ccc(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCC)c(O)c1 ZINC000093614093 473126184 /nfs/dbraw/zinc/12/61/84/473126184.db2.gz GWFMTDQIGWKVBV-MOPGFXCFSA-N 1 0 349.471 2.933 20 10 EFCDRO CCOc1ccc(O)c(C[NH+]2CCC3(CC2)[C@H](O)C[C@H]3OCC)c1 ZINC000093614227 473126510 /nfs/dbraw/zinc/12/65/10/473126510.db2.gz YQQPMBRZKFPDRA-QZTJIDSGSA-N 1 0 335.444 2.543 20 10 EFCDRO c1cc(N2CCCCC2)ccc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000093663985 473132956 /nfs/dbraw/zinc/13/29/56/473132956.db2.gz GEHMHFGKVKDWCM-HXUWFJFHSA-N 1 0 343.515 2.831 20 10 EFCDRO CCCOc1cccc(CNC(=O)C[N@H+](C)Cc2ccccc2O)c1 ZINC000111235814 473198486 /nfs/dbraw/zinc/19/84/86/473198486.db2.gz GBPKHTKNGSOXEF-UHFFFAOYSA-N 1 0 342.439 2.929 20 10 EFCDRO COCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185467928 473434161 /nfs/dbraw/zinc/43/41/61/473434161.db2.gz RPHAUNKKYHPQMM-YGRLFVJLSA-N 1 0 332.238 2.593 20 10 EFCDRO Oc1cc(F)cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000185472940 473435727 /nfs/dbraw/zinc/43/57/27/473435727.db2.gz UKQAIDOYUWUDEB-UHFFFAOYSA-N 1 0 334.366 2.797 20 10 EFCDRO Oc1cc(F)cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000185488105 473440346 /nfs/dbraw/zinc/44/03/46/473440346.db2.gz AGESLGMDPNJHDP-UHFFFAOYSA-N 1 0 348.393 2.921 20 10 EFCDRO CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@H](C)C1 ZINC000151569342 473473338 /nfs/dbraw/zinc/47/33/38/473473338.db2.gz IAPXHQJKFCPLAC-DYESRHJHSA-N 1 0 345.531 2.715 20 10 EFCDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cn1 ZINC000151580534 473474990 /nfs/dbraw/zinc/47/49/90/473474990.db2.gz XUCCXKDKSYZBPU-MRXNPFEDSA-N 1 0 342.487 2.963 20 10 EFCDRO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1cc(Br)ccc1O ZINC000185638231 473475142 /nfs/dbraw/zinc/47/51/42/473475142.db2.gz IUFCXKIAXLCJPS-TVQRCGJNSA-N 1 0 332.263 2.673 20 10 EFCDRO C[C@@H]([NH2+]CCNC(=O)C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178211488 473475782 /nfs/dbraw/zinc/47/57/82/473475782.db2.gz NYWBWBOZWFAYNH-CQSZACIVSA-N 1 0 333.451 2.993 20 10 EFCDRO CCOc1cc(NC2CC[NH+](Cc3ccccc3O)CC2)ncn1 ZINC000185663443 473482107 /nfs/dbraw/zinc/48/21/07/473482107.db2.gz JIRKHTUEWGRIMF-UHFFFAOYSA-N 1 0 328.416 2.657 20 10 EFCDRO Cn1cc(N2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)cn1 ZINC000126049704 473482600 /nfs/dbraw/zinc/48/26/00/473482600.db2.gz VTMZINPSCMDLPT-UHFFFAOYSA-N 1 0 339.487 2.733 20 10 EFCDRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185673000 473485787 /nfs/dbraw/zinc/48/57/87/473485787.db2.gz CVYSVSYSTVMFTB-MDZLAQPJSA-N 1 0 344.249 2.999 20 10 EFCDRO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-])N1CC[NH+](C)CC1 ZINC000191197437 473504484 /nfs/dbraw/zinc/50/44/84/473504484.db2.gz WQKSSYUWGWVBTI-CZUORRHYSA-N 1 0 341.446 2.593 20 10 EFCDRO C[C@H]1CCN(C(=O)c2cccc(O)c2O)CC[N@@H+]1Cc1ccccc1 ZINC000185764191 473508920 /nfs/dbraw/zinc/50/89/20/473508920.db2.gz KGOOLEVCYNFSFH-HNNXBMFYSA-N 1 0 340.423 2.834 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(OC)nc3)CC2)cc1 ZINC000126410561 473514952 /nfs/dbraw/zinc/51/49/52/473514952.db2.gz XSCHKNQSECIQRU-UHFFFAOYSA-N 1 0 327.428 2.857 20 10 EFCDRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000178536024 473529506 /nfs/dbraw/zinc/52/95/06/473529506.db2.gz XVQPZHAGNPKRKA-CYBMUJFWSA-N 1 0 346.450 2.680 20 10 EFCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000178665408 473542948 /nfs/dbraw/zinc/54/29/48/473542948.db2.gz AZVATVRXYWYJFD-LSDHHAIUSA-N 1 0 328.460 2.977 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCNC(=O)c2occc2C)c1 ZINC000186068235 473583569 /nfs/dbraw/zinc/58/35/69/473583569.db2.gz LUJDTUOIYGTWIC-CYBMUJFWSA-N 1 0 332.400 2.773 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Cl)ccc1O ZINC000186081985 473586802 /nfs/dbraw/zinc/58/68/02/473586802.db2.gz WCACEHRCBFYRKM-FZMZJTMJSA-N 1 0 348.834 2.625 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)cc1O ZINC000186089206 473588579 /nfs/dbraw/zinc/58/85/79/473588579.db2.gz FDMSXKMRKIEOQU-MWLCHTKSSA-N 1 0 339.233 2.569 20 10 EFCDRO CC[C@@H]([NH2+]C[C@](C)(O)CCOC)c1cc(Br)ccc1O ZINC000186195911 473612720 /nfs/dbraw/zinc/61/27/20/473612720.db2.gz QCKYKASSGFVVFY-UKRRQHHQSA-N 1 0 346.265 2.983 20 10 EFCDRO Cc1c(/C=C/C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)cnn1C ZINC000179073408 473623196 /nfs/dbraw/zinc/62/31/96/473623196.db2.gz OPBFTHVKEHZARP-BBVFFXRHSA-N 1 0 336.439 2.753 20 10 EFCDRO O=C1O[C@H](C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC12CCC2 ZINC000192102187 473627033 /nfs/dbraw/zinc/62/70/33/473627033.db2.gz XBYVMPLJTNNFJX-IRXDYDNUSA-N 1 0 345.439 2.859 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCC(N3CCNC3=O)CC2)cc1F ZINC000127600265 473630809 /nfs/dbraw/zinc/63/08/09/473630809.db2.gz KWSIXUXSAVSSPQ-UHFFFAOYSA-N 1 0 348.466 2.662 20 10 EFCDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000154122317 473668449 /nfs/dbraw/zinc/66/84/49/473668449.db2.gz VDXHKSCVSOSWAN-OAHLLOKOSA-N 1 0 332.469 2.877 20 10 EFCDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c(O)c1O ZINC000179461035 473688503 /nfs/dbraw/zinc/68/85/03/473688503.db2.gz BYKXQLASOIFZMH-UHFFFAOYSA-N 1 0 346.402 2.749 20 10 EFCDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)c(O)c1O ZINC000179452266 473688873 /nfs/dbraw/zinc/68/88/73/473688873.db2.gz JJMCANXPKFZVIK-UHFFFAOYSA-N 1 0 346.402 2.749 20 10 EFCDRO COc1ccc(CN2CC[NH+](Cc3ccccc3O)CC2)cc1F ZINC000179553812 473694005 /nfs/dbraw/zinc/69/40/05/473694005.db2.gz LTEYXAAHEWQWCT-UHFFFAOYSA-N 1 0 330.403 2.858 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC000179679912 473707108 /nfs/dbraw/zinc/70/71/08/473707108.db2.gz NDBKZDUJNNQATG-UHFFFAOYSA-N 1 0 333.819 2.771 20 10 EFCDRO CC[C@@H]([NH2+]CC(=O)N(C)CC)c1cc(Br)ccc1O ZINC000186804706 473759673 /nfs/dbraw/zinc/75/96/73/473759673.db2.gz VFVRUTSUYNVURD-GFCCVEGCSA-N 1 0 329.238 2.674 20 10 EFCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc3c(cc1O)OCO3)CCO2 ZINC000274239092 473768855 /nfs/dbraw/zinc/76/88/55/473768855.db2.gz GXZQLQACBFLQIH-AWEZNQCLSA-N 1 0 329.352 2.743 20 10 EFCDRO CC[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(N(C)C)cc1 ZINC000179991091 473771402 /nfs/dbraw/zinc/77/14/02/473771402.db2.gz YBOJRLSKGMCYID-ZWKOTPCHSA-N 1 0 334.460 2.715 20 10 EFCDRO CC1CCC(O)(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000269316237 473771804 /nfs/dbraw/zinc/77/18/04/473771804.db2.gz CTZUHVAPUPWUJT-UHFFFAOYSA-N 1 0 332.488 2.896 20 10 EFCDRO COc1ccc(O)c(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000180067873 473790177 /nfs/dbraw/zinc/79/01/77/473790177.db2.gz SQMMTACPROJMOF-AWEZNQCLSA-N 1 0 336.432 2.842 20 10 EFCDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cccc(O)c3O)C2)CC1 ZINC000187050867 473809318 /nfs/dbraw/zinc/80/93/18/473809318.db2.gz FFWZQUGRSFNWIE-OAHLLOKOSA-N 1 0 332.444 2.682 20 10 EFCDRO COCCN(C)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187143952 473824970 /nfs/dbraw/zinc/82/49/70/473824970.db2.gz MXCJTYYWRLCDKG-LBPRGKRZSA-N 1 0 345.281 2.692 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(O)CCSC2)c1O ZINC000187276123 473850770 /nfs/dbraw/zinc/85/07/70/473850770.db2.gz ZZEFTLVTCBILMN-HZMBPMFUSA-N 1 0 346.290 2.982 20 10 EFCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)cc1 ZINC000187666186 473901264 /nfs/dbraw/zinc/90/12/64/473901264.db2.gz NVUHVCRYZHLXMF-SFTDATJTSA-N 1 0 340.467 2.641 20 10 EFCDRO CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000187699001 473905688 /nfs/dbraw/zinc/90/56/88/473905688.db2.gz HZTRRDNPBHLCNL-UONOGXRCSA-N 1 0 341.446 2.595 20 10 EFCDRO COCCOCCOCCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000274707794 473928815 /nfs/dbraw/zinc/92/88/15/473928815.db2.gz ZQBIKHUEVURCBE-CYBMUJFWSA-N 1 0 331.840 2.766 20 10 EFCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180661633 473933145 /nfs/dbraw/zinc/93/31/45/473933145.db2.gz PQVOEDOGUYRMBV-GWJAVYCQSA-N 1 0 332.444 2.595 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)c1 ZINC000180706037 473945807 /nfs/dbraw/zinc/94/58/07/473945807.db2.gz ITSOUZORORKLMZ-UHFFFAOYSA-N 1 0 346.402 2.871 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+][C@@]2(CO)CCOc3ccccc32)c1O ZINC000282167565 473968895 /nfs/dbraw/zinc/96/88/95/473968895.db2.gz DUGUKJQPUDOJRA-GOSISDBHSA-N 1 0 349.814 2.814 20 10 EFCDRO CCOC(=O)COc1ccc(CC[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000180808763 473970368 /nfs/dbraw/zinc/97/03/68/473970368.db2.gz HGERHQQDPCUXRS-UHFFFAOYSA-N 1 0 347.386 2.806 20 10 EFCDRO Cc1cc(C(=O)N2CCO[C@H](C[NH3+])C2)c(C)n1-c1cccc(Cl)c1 ZINC000274823048 473974487 /nfs/dbraw/zinc/97/44/87/473974487.db2.gz SRVGDBQGAHTXJV-MRXNPFEDSA-N 1 0 347.846 2.547 20 10 EFCDRO CC(C)(C)Oc1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cn1 ZINC000180888230 473982049 /nfs/dbraw/zinc/98/20/49/473982049.db2.gz QVSAWDBCMYQTLK-UHFFFAOYSA-N 1 0 330.384 2.983 20 10 EFCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000282322019 474021083 /nfs/dbraw/zinc/02/10/83/474021083.db2.gz ADLOMKOHUDWPRA-AWEZNQCLSA-N 1 0 335.448 2.617 20 10 EFCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000274945921 474024205 /nfs/dbraw/zinc/02/42/05/474024205.db2.gz QPERLYHAIBTTCT-CJNGLKHVSA-N 1 0 332.444 2.552 20 10 EFCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000274945923 474024828 /nfs/dbraw/zinc/02/48/28/474024828.db2.gz QPERLYHAIBTTCT-XJKSGUPXSA-N 1 0 332.444 2.552 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c(O)c1 ZINC000288715585 474029707 /nfs/dbraw/zinc/02/97/07/474029707.db2.gz ZOBVHSYMGZPSTL-VQIMIIECSA-N 1 0 329.396 2.765 20 10 EFCDRO CCOc1cccc(C[NH2+][C@@]2(CO)CCOc3ccccc32)c1O ZINC000282397388 474049918 /nfs/dbraw/zinc/04/99/18/474049918.db2.gz PJFXLMIFNXVFHB-LJQANCHMSA-N 1 0 329.396 2.551 20 10 EFCDRO CCCC[N@H+](CC(=O)Nc1cc(C)nn1C)Cc1ccccc1O ZINC000282431188 474063733 /nfs/dbraw/zinc/06/37/33/474063733.db2.gz KDCXNOJYADKFNZ-UHFFFAOYSA-N 1 0 330.432 2.675 20 10 EFCDRO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000282448558 474070250 /nfs/dbraw/zinc/07/02/50/474070250.db2.gz ZRNJFJMMDCSJPU-AEFFLSMTSA-N 1 0 336.451 2.957 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)cc1OC ZINC000182095565 474099205 /nfs/dbraw/zinc/09/92/05/474099205.db2.gz CMHQEHMYYZOFAT-OYLFLEFRSA-N 1 0 349.452 2.619 20 10 EFCDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cc(OC2CCOCC2)n1 ZINC000264999416 474164385 /nfs/dbraw/zinc/16/43/85/474164385.db2.gz ZHXKOEIFTRMWMT-UHFFFAOYSA-N 1 0 340.423 2.864 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)cc1F ZINC000265001160 474164498 /nfs/dbraw/zinc/16/44/98/474164498.db2.gz ZSRAOTXMQZRYQG-GOSISDBHSA-N 1 0 341.430 2.782 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000182412954 474170243 /nfs/dbraw/zinc/17/02/43/474170243.db2.gz PUSYPUWEXZZRHD-MLGOLLRUSA-N 1 0 344.386 2.996 20 10 EFCDRO COc1cccc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1O ZINC000265277602 474172288 /nfs/dbraw/zinc/17/22/88/474172288.db2.gz WEXPSDRPIHGLRR-OAHLLOKOSA-N 1 0 326.396 2.575 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000182441159 474176673 /nfs/dbraw/zinc/17/66/73/474176673.db2.gz AOITUAFYWUDRQE-GXFFZTMASA-N 1 0 346.349 2.605 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCc3sccc3C2)c1 ZINC000182457874 474182059 /nfs/dbraw/zinc/18/20/59/474182059.db2.gz MIMODAWIYGKLTD-GFCCVEGCSA-N 1 0 346.452 2.698 20 10 EFCDRO CCCOc1ccc(CN2C[C@H](C)[S@@](=O)[C@@H](CC)C2)c(O)c1 ZINC000289209969 474185223 /nfs/dbraw/zinc/18/52/23/474185223.db2.gz BXUKXTXYTHNMBQ-UMLSUDCWSA-N 1 0 325.474 2.912 20 10 EFCDRO COC(=O)Nc1cccc(C[NH2+]Cc2cc(OC)c(OC)cc2O)c1 ZINC000289234648 474192514 /nfs/dbraw/zinc/19/25/14/474192514.db2.gz DGBUVOJXLPINLC-UHFFFAOYSA-N 1 0 346.383 2.878 20 10 EFCDRO CCOc1cccc(C[N@H+](CCNC(C)=O)Cc2ccsc2)c1O ZINC000282922518 474242900 /nfs/dbraw/zinc/24/29/00/474242900.db2.gz FEGPATVJQOBNRE-UHFFFAOYSA-N 1 0 348.468 2.991 20 10 EFCDRO CN(C)c1ccc(CN(C(=O)NCC2([NH+](C)C)CCC2)C2CC2)cc1 ZINC000275632049 474258949 /nfs/dbraw/zinc/25/89/49/474258949.db2.gz MRVHYJMXPYEZCT-UHFFFAOYSA-N 1 0 344.503 2.911 20 10 EFCDRO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000283015970 474273734 /nfs/dbraw/zinc/27/37/34/474273734.db2.gz LWFMBSWZJHTWJM-MRXNPFEDSA-N 1 0 329.375 2.927 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)CC3CC[NH2+]CC3)cc2)CC1 ZINC000236672778 474279250 /nfs/dbraw/zinc/27/92/50/474279250.db2.gz PSLRHEYDMORMAL-UHFFFAOYSA-N 1 0 329.488 2.929 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)[C@@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC000236675209 474279604 /nfs/dbraw/zinc/27/96/04/474279604.db2.gz MUCJXLGGEPJYGW-FQEVSTJZSA-N 1 0 329.488 2.929 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)[C@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC000236676157 474279691 /nfs/dbraw/zinc/27/96/91/474279691.db2.gz MUCJXLGGEPJYGW-HXUWFJFHSA-N 1 0 329.488 2.929 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)cc1F ZINC000275718914 474293227 /nfs/dbraw/zinc/29/32/27/474293227.db2.gz YVXCSGXDAUQXOU-FUHWJXTLSA-N 1 0 332.423 2.635 20 10 EFCDRO CC(C)NC(=O)CN(C)Cc1ccc(OCc2ccccc2)cc1O ZINC000182960471 474295455 /nfs/dbraw/zinc/29/54/55/474295455.db2.gz FQJGDAIRYSQKFK-UHFFFAOYSA-N 1 0 342.439 2.928 20 10 EFCDRO COc1cccc(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c1O ZINC000289512274 474302309 /nfs/dbraw/zinc/30/23/09/474302309.db2.gz UVRGOENJCXGFFW-UHFFFAOYSA-N 1 0 348.355 2.616 20 10 EFCDRO COC(=O)c1ccc(C[N@H+](C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000270908248 474316821 /nfs/dbraw/zinc/31/68/21/474316821.db2.gz SFEFQGGTBLKIOR-UHFFFAOYSA-N 1 0 345.395 2.828 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@](C(=O)OC)(C(F)(F)F)C2)c1 ZINC000289597031 474338605 /nfs/dbraw/zinc/33/86/05/474338605.db2.gz KSAUHWBEXBTPCW-OAHLLOKOSA-N 1 0 347.333 2.718 20 10 EFCDRO COc1cc([N+](=O)[O-])c(N2CC[NH+](C3CCCC3)CC2)cc1OC ZINC000270976096 474348219 /nfs/dbraw/zinc/34/82/19/474348219.db2.gz BNQFADYZYUNBGY-UHFFFAOYSA-N 1 0 335.404 2.677 20 10 EFCDRO Cn1cc(CN(CCC[NH3+])c2cccc(F)c2)c(-c2cccnc2)n1 ZINC000183222020 474353191 /nfs/dbraw/zinc/35/31/91/474353191.db2.gz PGOVOQDKSRDROZ-UHFFFAOYSA-N 1 0 339.418 2.977 20 10 EFCDRO CC(C)[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)[NH+]1CCCCC1 ZINC000183448506 474380423 /nfs/dbraw/zinc/38/04/23/474380423.db2.gz CPQDZGASXLLJQT-RDTXWAMCSA-N 1 0 334.460 2.656 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000265903773 474380382 /nfs/dbraw/zinc/38/03/82/474380382.db2.gz VWAZTYJKSQDNKW-FUHWJXTLSA-N 1 0 338.517 2.978 20 10 EFCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000183443468 474380948 /nfs/dbraw/zinc/38/09/48/474380948.db2.gz JEYURGYOVDPORE-CHWSQXEVSA-N 1 0 334.441 2.712 20 10 EFCDRO CC(C)[N@H+](CC(=O)NCc1cccnc1)Cc1ccc(N(C)C)cc1 ZINC000265912051 474382535 /nfs/dbraw/zinc/38/25/35/474382535.db2.gz KMEQQNKTOXJPHJ-UHFFFAOYSA-N 1 0 340.471 2.674 20 10 EFCDRO COc1cccc(CN(C)Cc2nccn2CC(F)(F)F)c1O ZINC000271162652 474413470 /nfs/dbraw/zinc/41/34/70/474413470.db2.gz QTMWAAKRQLHUMU-UHFFFAOYSA-N 1 0 329.322 2.792 20 10 EFCDRO COc1cc(N2CC[NH+]([C@@H]3C=CCCC3)CC2)cc(OC)c1OC ZINC000183700269 474415744 /nfs/dbraw/zinc/41/57/44/474415744.db2.gz WYTRAPIGVPCDHL-OAHLLOKOSA-N 1 0 332.444 2.943 20 10 EFCDRO Cn1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000266171563 474422938 /nfs/dbraw/zinc/42/29/38/474422938.db2.gz RJOXGIXGTLLINO-CQSZACIVSA-N 1 0 336.386 2.780 20 10 EFCDRO O=C1COc2ccccc2N1CCC[NH2+]Cc1c(O)cccc1Cl ZINC000266194845 474424388 /nfs/dbraw/zinc/42/43/88/474424388.db2.gz ZSWLEMHKBYESAD-UHFFFAOYSA-N 1 0 346.814 2.951 20 10 EFCDRO CCOCc1cc(C[NH2+][C@H](CO)Cc2ccccc2)ccc1OC ZINC000189517231 474427690 /nfs/dbraw/zinc/42/76/90/474427690.db2.gz GPFNXGCEHVJMAT-IBGZPJMESA-N 1 0 329.440 2.925 20 10 EFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1O ZINC000183892278 474443265 /nfs/dbraw/zinc/44/32/65/474443265.db2.gz MRARCIJGHKGDPX-CQSZACIVSA-N 1 0 337.391 2.709 20 10 EFCDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000289854940 474457669 /nfs/dbraw/zinc/45/76/69/474457669.db2.gz VDKZMFQDUJTFRK-CQSZACIVSA-N 1 0 340.851 2.935 20 10 EFCDRO Cc1cc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c(C)n1-c1ccccn1 ZINC000289911997 474481354 /nfs/dbraw/zinc/48/13/54/474481354.db2.gz NJCSICNKZDIRDU-HXUWFJFHSA-N 1 0 338.455 2.705 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOCC(F)(F)C(F)F)c1 ZINC000189844246 474493561 /nfs/dbraw/zinc/49/35/61/474493561.db2.gz OROZAZDNSFGHJK-SECBINFHSA-N 1 0 325.302 2.968 20 10 EFCDRO Nc1ccc(CC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000237903196 474499374 /nfs/dbraw/zinc/49/93/74/474499374.db2.gz AANFNOGGOFRYRO-FQEVSTJZSA-N 1 0 337.467 2.982 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1F ZINC000289959317 474503664 /nfs/dbraw/zinc/50/36/64/474503664.db2.gz CIAAEAOEDOBQQY-HNNXBMFYSA-N 1 0 342.480 2.586 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1O ZINC000271406856 474531275 /nfs/dbraw/zinc/53/12/75/474531275.db2.gz WTSKYNAGVRQUEP-AWEZNQCLSA-N 1 0 328.416 2.776 20 10 EFCDRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000290043366 474537792 /nfs/dbraw/zinc/53/77/92/474537792.db2.gz FZIVYPWOPKCTDO-KRWDZBQOSA-N 1 0 336.501 2.591 20 10 EFCDRO COc1cc(N2CC[NH+](CCCCCF)CC2)cc(OC)c1OC ZINC000284007450 474547972 /nfs/dbraw/zinc/54/79/72/474547972.db2.gz GZOVKSXRXWBHSD-UHFFFAOYSA-N 1 0 340.439 2.974 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271460616 474557228 /nfs/dbraw/zinc/55/72/28/474557228.db2.gz JZKFPNLZKQYDMG-LSDHHAIUSA-N 1 0 332.423 2.598 20 10 EFCDRO C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000290145404 474559153 /nfs/dbraw/zinc/55/91/53/474559153.db2.gz KZUGMBORJLOQKG-KDOFPFPSSA-N 1 0 336.451 2.864 20 10 EFCDRO CCn1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000271467706 474560203 /nfs/dbraw/zinc/56/02/03/474560203.db2.gz IMTNFMXSKHKPOY-AWEZNQCLSA-N 1 0 332.423 2.730 20 10 EFCDRO COCCOCC[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000290169291 474560262 /nfs/dbraw/zinc/56/02/62/474560262.db2.gz MSRYDWJNMVUSPJ-UHFFFAOYSA-N 1 0 334.382 2.866 20 10 EFCDRO COC(=O)C[C@](C)([NH2+]Cc1ccc(OC)c(C)c1)c1ccncc1 ZINC000276496136 474563934 /nfs/dbraw/zinc/56/39/34/474563934.db2.gz WQIAQCJGFDMTTI-IBGZPJMESA-N 1 0 328.412 2.967 20 10 EFCDRO CC(C)CC[NH+]1CCC(CNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000276594685 474565786 /nfs/dbraw/zinc/56/57/86/474565786.db2.gz NORKADVNOHJKRF-UHFFFAOYSA-N 1 0 338.423 2.725 20 10 EFCDRO CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000290353198 474568064 /nfs/dbraw/zinc/56/80/64/474568064.db2.gz QFHSQOZGEPSTAP-CYBMUJFWSA-N 1 0 325.474 2.745 20 10 EFCDRO C[N@H+](Cc1cc(F)ccc1O)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000190321927 474578607 /nfs/dbraw/zinc/57/86/07/474578607.db2.gz IXKGTZMOIMCTEM-HXUWFJFHSA-N 1 0 344.430 2.600 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CC(C)(F)F)cc2F)CC1 ZINC000277288042 474582083 /nfs/dbraw/zinc/58/20/83/474582083.db2.gz UQBKAJSCKJVURA-UHFFFAOYSA-N 1 0 343.393 2.629 20 10 EFCDRO COc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000271689718 474586683 /nfs/dbraw/zinc/58/66/83/474586683.db2.gz QNDPZIZUCXVRFB-HNNXBMFYSA-N 1 0 341.455 2.728 20 10 EFCDRO COCCOC1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184693014 474587807 /nfs/dbraw/zinc/58/78/07/474587807.db2.gz XCUQUGXTZYXXSM-UHFFFAOYSA-N 1 0 329.824 2.682 20 10 EFCDRO CCOCCO[C@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184703435 474589219 /nfs/dbraw/zinc/58/92/19/474589219.db2.gz XTKVOAKFLIIMII-AWEZNQCLSA-N 1 0 329.824 2.682 20 10 EFCDRO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000291003876 474589619 /nfs/dbraw/zinc/58/96/19/474589619.db2.gz BFDOWEKKWFSXOT-WIYYLYMNSA-N 1 0 343.515 2.972 20 10 EFCDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccccc1O ZINC000271796373 474591574 /nfs/dbraw/zinc/59/15/74/474591574.db2.gz HLKVSZFMIFCUBT-OAHLLOKOSA-N 1 0 327.428 2.712 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000291132297 474595107 /nfs/dbraw/zinc/59/51/07/474595107.db2.gz FALJGGUYBRQCNZ-QWHCGFSZSA-N 1 0 344.386 2.996 20 10 EFCDRO CCOCC[C@H](O)C[N@H+](CC)Cc1cc(Br)ccc1O ZINC000277770762 474595591 /nfs/dbraw/zinc/59/55/91/474595591.db2.gz RCHRXJNKQMTULP-AWEZNQCLSA-N 1 0 346.265 2.764 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c1 ZINC000184730808 474596673 /nfs/dbraw/zinc/59/66/73/474596673.db2.gz KOAIGJIPJFBSRR-HNNXBMFYSA-N 1 0 329.444 2.979 20 10 EFCDRO COc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)nc1 ZINC000271926486 474598337 /nfs/dbraw/zinc/59/83/37/474598337.db2.gz LKYOXZQRSJTGDP-GOSISDBHSA-N 1 0 328.412 2.977 20 10 EFCDRO COc1cc(Cl)cc(C[NH+]2CCC(CC(=O)N(C)C)CC2)c1O ZINC000184744416 474599488 /nfs/dbraw/zinc/59/94/88/474599488.db2.gz YDAFKXMGADTYBM-UHFFFAOYSA-N 1 0 340.851 2.745 20 10 EFCDRO C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278152435 474602766 /nfs/dbraw/zinc/60/27/66/474602766.db2.gz AGQBSLMZPRPLQE-JTQLQIEISA-N 1 0 333.259 2.806 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NCC2=CC[N@H+](C)CC2)cc1 ZINC000272133885 474603538 /nfs/dbraw/zinc/60/35/38/474603538.db2.gz WUBBQCDTRRTPRQ-UHFFFAOYSA-N 1 0 330.476 2.594 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)c2C)cc1 ZINC000272365504 474609377 /nfs/dbraw/zinc/60/93/77/474609377.db2.gz ZVMNSDDRFBJKNC-GDBMZVCRSA-N 1 0 341.455 2.912 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)c2C)cc1 ZINC000272365509 474609595 /nfs/dbraw/zinc/60/95/95/474609595.db2.gz ZVMNSDDRFBJKNC-GOEBONIOSA-N 1 0 341.455 2.912 20 10 EFCDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cc(Br)ccc3O)[C@@H]2C1 ZINC000272551517 474616392 /nfs/dbraw/zinc/61/63/92/474616392.db2.gz DAAGQNIRDMXMCT-BXUZGUMPSA-N 1 0 325.250 2.681 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1 ZINC000278380355 474627524 /nfs/dbraw/zinc/62/75/24/474627524.db2.gz AQQVQKPYYSQMGY-LBPRGKRZSA-N 1 0 339.399 2.740 20 10 EFCDRO C[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccccc1O ZINC000272893807 474636420 /nfs/dbraw/zinc/63/64/20/474636420.db2.gz TVOLSHGFQZQWOV-HNNXBMFYSA-N 1 0 340.423 2.715 20 10 EFCDRO Cc1ccnc(OC2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)c1 ZINC000272938738 474646031 /nfs/dbraw/zinc/64/60/31/474646031.db2.gz VASGJQLWGZYPNN-UHFFFAOYSA-N 1 0 342.395 2.868 20 10 EFCDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)cc(C(C)=O)c1O)CC2 ZINC000267469668 474672268 /nfs/dbraw/zinc/67/22/68/474672268.db2.gz WZLVLFHFEMNDOV-HNNXBMFYSA-N 1 0 335.375 2.509 20 10 EFCDRO CCOc1cccc(C[NH2+]Cc2cccc(N3CCOCC3)c2)c1O ZINC000292923475 474715794 /nfs/dbraw/zinc/71/57/94/474715794.db2.gz IKOTYCWCODGDML-UHFFFAOYSA-N 1 0 342.439 2.917 20 10 EFCDRO OCC[C@@]1([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCOC1 ZINC000278637735 474750520 /nfs/dbraw/zinc/75/05/20/474750520.db2.gz IRZAXVZKLSZQKO-HXUWFJFHSA-N 1 0 343.423 2.602 20 10 EFCDRO CCCOc1ccc(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c(O)c1 ZINC000278674427 474769464 /nfs/dbraw/zinc/76/94/64/474769464.db2.gz LTZWCTCYSIVLAU-MRXNPFEDSA-N 1 0 341.473 2.580 20 10 EFCDRO COC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1O)[C@H]1CCCO1 ZINC000278701132 474782811 /nfs/dbraw/zinc/78/28/11/474782811.db2.gz HLTLPAXNWPOSQF-RIEGTJTDSA-N 1 0 344.249 2.999 20 10 EFCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000268143344 474825492 /nfs/dbraw/zinc/82/54/92/474825492.db2.gz KXZLKAFZKCVQDX-FZKQIMNGSA-N 1 0 343.471 2.553 20 10 EFCDRO Cc1cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)ccc1N(C)C ZINC000293133524 474832599 /nfs/dbraw/zinc/83/25/99/474832599.db2.gz PWXFWMDBVYMUQZ-QGZVFWFLSA-N 1 0 339.487 2.978 20 10 EFCDRO COC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1O)[C@H]1CCCO1 ZINC000278806336 474845086 /nfs/dbraw/zinc/84/50/86/474845086.db2.gz NGFRDOVDHKKRJY-RIEGTJTDSA-N 1 0 344.249 2.999 20 10 EFCDRO COc1ccc([C@H](CN(C)C)[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000284980204 474849739 /nfs/dbraw/zinc/84/97/39/474849739.db2.gz IODNJCLRBMEDAX-SFHVURJKSA-N 1 0 330.428 2.802 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(Br)ccc1O ZINC000273409066 474883450 /nfs/dbraw/zinc/88/34/50/474883450.db2.gz PFHNYGHLQRWWDM-QUBYGPBYSA-N 1 0 328.128 2.729 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)Cc2ccccc2)c(O)c1 ZINC000273437465 474896806 /nfs/dbraw/zinc/89/68/06/474896806.db2.gz XKDUDQVTVNXDTP-OAHLLOKOSA-N 1 0 333.453 2.966 20 10 EFCDRO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1cc2c(cc1O)OCO2 ZINC000285125573 474900590 /nfs/dbraw/zinc/90/05/90/474900590.db2.gz MYSJLPGUVMFPBS-UHFFFAOYSA-N 1 0 348.443 2.734 20 10 EFCDRO CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)CC1=O ZINC000273449273 474904046 /nfs/dbraw/zinc/90/40/46/474904046.db2.gz FRRYZDBNNNLPQU-CMPLNLGQSA-N 1 0 341.249 2.815 20 10 EFCDRO CC(C)N1C[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2O)CC1=O ZINC000273449276 474904052 /nfs/dbraw/zinc/90/40/52/474904052.db2.gz FRRYZDBNNNLPQU-PWSUYJOCSA-N 1 0 341.249 2.815 20 10 EFCDRO CN1CC[C@H]([N@H+](C)Cc2ccc(OCc3ccccc3)cc2O)C1=O ZINC000273547584 474957724 /nfs/dbraw/zinc/95/77/24/474957724.db2.gz URIMCIHRJADJAD-SFHVURJKSA-N 1 0 340.423 2.634 20 10 EFCDRO CCCOc1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC000279089087 474959054 /nfs/dbraw/zinc/95/90/54/474959054.db2.gz ABJRLGWCYXVWED-QMTMVMCOSA-N 1 0 335.444 2.949 20 10 EFCDRO CCCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c(O)c1 ZINC000279089082 474959450 /nfs/dbraw/zinc/95/94/50/474959450.db2.gz ABJRLGWCYXVWED-DOXZYTNZSA-N 1 0 335.444 2.949 20 10 EFCDRO COC[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)[C@H]1CCCO1 ZINC000279123440 474961042 /nfs/dbraw/zinc/96/10/42/474961042.db2.gz UYEHLDMXSGULNY-HUUCEWRRSA-N 1 0 327.808 2.532 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(O)c1O ZINC000279425115 474974993 /nfs/dbraw/zinc/97/49/93/474974993.db2.gz YQYMDIZTGFTUNE-YOEHRIQHSA-N 1 0 340.423 2.738 20 10 EFCDRO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279556682 474980088 /nfs/dbraw/zinc/98/00/88/474980088.db2.gz AZRMLBKHSYYUEL-XFNZEKPQSA-N 1 0 336.423 2.970 20 10 EFCDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279538596 474980543 /nfs/dbraw/zinc/98/05/43/474980543.db2.gz AJQCBSVDRFUIQQ-OAHLLOKOSA-N 1 0 334.382 2.649 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000279672126 474985653 /nfs/dbraw/zinc/98/56/53/474985653.db2.gz FXYHLWWOLPPXAU-VAMGGRTRSA-N 1 0 342.483 2.961 20 10 EFCDRO COc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1O ZINC000279688144 474986526 /nfs/dbraw/zinc/98/65/26/474986526.db2.gz PMQXVJLHVMKTTB-KDURUIRLSA-N 1 0 338.451 2.965 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)[C@H]3CC[NH2+][C@@H](C)C3)cc2)CC1 ZINC000279889032 474998614 /nfs/dbraw/zinc/99/86/14/474998614.db2.gz HJOHXZCBMZQXMQ-WMZOPIPTSA-N 1 0 329.488 2.927 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CCCC(=O)NC2CC2)c(C(F)(F)F)c1 ZINC000280085861 475010104 /nfs/dbraw/zinc/01/01/04/475010104.db2.gz YTOVCJSHHKIQKA-UHFFFAOYSA-N 1 0 343.393 2.920 20 10 EFCDRO CC[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(C)cc1O ZINC000280226854 475014533 /nfs/dbraw/zinc/01/45/33/475014533.db2.gz VAHNQTTZKLFQTR-QWHCGFSZSA-N 1 0 330.350 2.905 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)cc1F ZINC000293524756 475021797 /nfs/dbraw/zinc/02/17/97/475021797.db2.gz AASGOKPLYVUWOB-SFHVURJKSA-N 1 0 336.451 2.549 20 10 EFCDRO COc1cc(Cl)cc(CN2C[C@H](C)OC3(CCOCC3)C2)c1O ZINC000280465604 475027286 /nfs/dbraw/zinc/02/72/86/475027286.db2.gz MSANDCGRQDXZQU-LBPRGKRZSA-N 1 0 341.835 2.824 20 10 EFCDRO COc1cc(Cl)cc(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1O ZINC000280468051 475027580 /nfs/dbraw/zinc/02/75/80/475027580.db2.gz MWCOMKGABZNXCW-PRXAMGSTSA-N 1 0 341.835 2.823 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1O ZINC000273726088 475029156 /nfs/dbraw/zinc/02/91/56/475029156.db2.gz JGVVRTSPSDTXOW-CYBMUJFWSA-N 1 0 327.808 2.830 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1O ZINC000273734751 475034278 /nfs/dbraw/zinc/03/42/78/475034278.db2.gz KZNRVPAEQUEVRK-ZWNOBZJWSA-N 1 0 339.741 2.942 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cnccn1 ZINC000268801054 475041526 /nfs/dbraw/zinc/04/15/26/475041526.db2.gz BBISNLFUSMKJPZ-OAHLLOKOSA-N 1 0 326.444 2.536 20 10 EFCDRO Cc1ccc([C@H]([NH2+]Cc2ccccc2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280646697 475041748 /nfs/dbraw/zinc/04/17/48/475041748.db2.gz JDVMTVPQCHJZBW-RDTXWAMCSA-N 1 0 333.453 2.965 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000285802170 475042279 /nfs/dbraw/zinc/04/22/79/475042279.db2.gz VHHGEYHDASTFJZ-ZDUSSCGKSA-N 1 0 325.412 2.934 20 10 EFCDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2ccccc2O)c1 ZINC000268819368 475043630 /nfs/dbraw/zinc/04/36/30/475043630.db2.gz JLTCKRPPUWODLC-ZDUSSCGKSA-N 1 0 344.411 2.916 20 10 EFCDRO CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOC3(C)C)cc2F)CC1 ZINC000293644009 475044910 /nfs/dbraw/zinc/04/49/10/475044910.db2.gz IHMCIWNBBDPKDE-GOSISDBHSA-N 1 0 335.467 2.625 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268852400 475045986 /nfs/dbraw/zinc/04/59/86/475045986.db2.gz BYNAFDLHNFTBIJ-KUHUBIRLSA-N 1 0 346.450 2.934 20 10 EFCDRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268834022 475046763 /nfs/dbraw/zinc/04/67/63/475046763.db2.gz LEPAYBDBLBRCQE-SPYBWZPUSA-N 1 0 349.494 2.605 20 10 EFCDRO Cc1cc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)ccc1N(C)C ZINC000293746941 475050456 /nfs/dbraw/zinc/05/04/56/475050456.db2.gz IGLULWQXUROVLQ-LJQANCHMSA-N 1 0 342.487 2.740 20 10 EFCDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000286389665 475063308 /nfs/dbraw/zinc/06/33/08/475063308.db2.gz IWINXQZJMRPMGK-OAHLLOKOSA-N 1 0 336.407 2.615 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)c1O ZINC000273815532 475064960 /nfs/dbraw/zinc/06/49/60/475064960.db2.gz ZQDGRQBKHYKGJA-NSHDSACASA-N 1 0 336.823 2.860 20 10 EFCDRO COc1cc([N+](=O)[O-])c(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1OC ZINC000286457481 475066661 /nfs/dbraw/zinc/06/66/61/475066661.db2.gz UQVQZILQUJCSSJ-CHWSQXEVSA-N 1 0 335.404 2.675 20 10 EFCDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000294684039 475079460 /nfs/dbraw/zinc/07/94/60/475079460.db2.gz BJENGCXEGHOVIS-NSHDSACASA-N 1 0 337.338 2.857 20 10 EFCDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC000294856617 475086191 /nfs/dbraw/zinc/08/61/91/475086191.db2.gz SRFWDNWYBRZMEN-UHFFFAOYSA-N 1 0 329.400 2.603 20 10 EFCDRO COc1cc(O)c(C[NH2+]C[C@H](Cc2ccccc2)OC)cc1OC ZINC000294860012 475088968 /nfs/dbraw/zinc/08/89/68/475088968.db2.gz TUGVDJCLNCVMTP-INIZCTEOSA-N 1 0 331.412 2.757 20 10 EFCDRO C[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H](c1ccccc1)[NH+](C)C ZINC000294925548 475091365 /nfs/dbraw/zinc/09/13/65/475091365.db2.gz GXQILLRVYLURRA-BZNIZROVSA-N 1 0 332.375 2.658 20 10 EFCDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000295006874 475096547 /nfs/dbraw/zinc/09/65/47/475096547.db2.gz JCDWJBFLNPLNLX-LJQANCHMSA-N 1 0 329.396 2.557 20 10 EFCDRO COC1CCN(c2ccc(C[N@H+](C)C[C@@H]3CCC[C@@H]3O)cc2)CC1 ZINC000295028527 475098046 /nfs/dbraw/zinc/09/80/46/475098046.db2.gz VJSRWTWGHQJJCC-PXNSSMCTSA-N 1 0 332.488 2.895 20 10 EFCDRO CC[C@H]([NH2+]Cc1cnnn1C)c1cc(Br)ccc1O ZINC000287223952 475098896 /nfs/dbraw/zinc/09/88/96/475098896.db2.gz GEOAWPODYDDCTN-LBPRGKRZSA-N 1 0 325.210 2.524 20 10 EFCDRO Cc1ccc(O)c(C[N@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)c1 ZINC000295058836 475099816 /nfs/dbraw/zinc/09/98/16/475099816.db2.gz QDEROWMTHQYHKE-GOSISDBHSA-N 1 0 341.455 2.830 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1 ZINC000295127883 475106039 /nfs/dbraw/zinc/10/60/39/475106039.db2.gz ODVNSUODFNBWSM-IYXRBSQSSA-N 1 0 341.473 2.655 20 10 EFCDRO C[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)C[N@@H+]1Cc1ccccc1 ZINC000295164214 475109597 /nfs/dbraw/zinc/10/95/97/475109597.db2.gz QWKIQPUWHNRRSW-TZMCWYRMSA-N 1 0 344.386 2.630 20 10 EFCDRO CCOc1cccc(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1O ZINC000295207026 475111452 /nfs/dbraw/zinc/11/14/52/475111452.db2.gz ZLPYTIKYFKWWNI-FOLVSLTJSA-N 1 0 348.443 2.746 20 10 EFCDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295681125 475130475 /nfs/dbraw/zinc/13/04/75/475130475.db2.gz HATGPZDGUUZDTM-HZPDHXFCSA-N 1 0 348.487 2.979 20 10 EFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)OCCO)c1O ZINC000287404321 475132107 /nfs/dbraw/zinc/13/21/07/475132107.db2.gz RCJYBEUREJSYJQ-LLVKDONJSA-N 1 0 346.265 2.901 20 10 EFCDRO CC[C@H]([NH2+]CC(C)(C)OCCO)c1cc(Br)ccc1O ZINC000287489559 475170151 /nfs/dbraw/zinc/17/01/51/475170151.db2.gz XRKXMTVHOPSBOK-ZDUSSCGKSA-N 1 0 346.265 2.983 20 10 EFCDRO FC(F)(F)[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000287557985 475194373 /nfs/dbraw/zinc/19/43/73/475194373.db2.gz GASALQMJYBOEPZ-ZBFHGGJFSA-N 1 0 344.377 2.723 20 10 EFCDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000349461836 475974107 /nfs/dbraw/zinc/97/41/07/475974107.db2.gz OQHADHJRFPWPCQ-HNNXBMFYSA-N 1 0 328.460 2.770 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000349895451 476016920 /nfs/dbraw/zinc/01/69/20/476016920.db2.gz PMGUBHHCAZNHAR-HOCLYGCPSA-N 1 0 328.460 2.769 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC1([NH+](C)C)CCC1 ZINC000349906050 476019005 /nfs/dbraw/zinc/01/90/05/476019005.db2.gz GCFUCUQAQLDNTM-UHFFFAOYSA-N 1 0 328.460 2.770 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000350081840 476043446 /nfs/dbraw/zinc/04/34/46/476043446.db2.gz QHAUWOWZFULZFD-OAHLLOKOSA-N 1 0 328.460 2.580 20 10 EFCDRO CC[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)[NH+](C)C ZINC000299102305 476135229 /nfs/dbraw/zinc/13/52/29/476135229.db2.gz WQTLQKTVQRTWEV-MOPGFXCFSA-N 1 0 347.503 2.600 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)[C@H]3C[C@@]34CC[NH2+]C4)cc2)CC1 ZINC000368815319 476373875 /nfs/dbraw/zinc/37/38/75/476373875.db2.gz BLHMHLWBNOEKFG-UYAOXDASSA-N 1 0 327.472 2.539 20 10 EFCDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000368973033 476380807 /nfs/dbraw/zinc/38/08/07/476380807.db2.gz IJONNXROCSMBMM-QRQLOZEOSA-N 1 0 327.472 2.763 20 10 EFCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000373163768 476381207 /nfs/dbraw/zinc/38/12/07/476381207.db2.gz KLPFKAYIPZOIGZ-ZFWWWQNUSA-N 1 0 342.233 2.582 20 10 EFCDRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000368973032 476381646 /nfs/dbraw/zinc/38/16/46/476381646.db2.gz IJONNXROCSMBMM-NEWSRXKRSA-N 1 0 327.472 2.763 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1 ZINC000373166913 476382218 /nfs/dbraw/zinc/38/22/18/476382218.db2.gz OZSBGGDHQKYWIO-OALUTQOASA-N 1 0 328.460 2.574 20 10 EFCDRO Cn1nncc1C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000377400830 476384266 /nfs/dbraw/zinc/38/42/66/476384266.db2.gz HGYANMNESCEFRG-UHFFFAOYSA-N 1 0 333.439 2.668 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](c3nccn3C)C2)cc1OC ZINC000373225242 476386458 /nfs/dbraw/zinc/38/64/58/476386458.db2.gz DKYQRBMHQOZEDI-ZDUSSCGKSA-N 1 0 331.416 2.523 20 10 EFCDRO COc1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c(O)c1 ZINC000369546015 476425983 /nfs/dbraw/zinc/42/59/83/476425983.db2.gz MDXJEINLKJAZRH-OAHLLOKOSA-N 1 0 327.384 2.539 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000369581630 476427100 /nfs/dbraw/zinc/42/71/00/476427100.db2.gz FJEQQUVLNJDOAN-IBGZPJMESA-N 1 0 342.487 2.667 20 10 EFCDRO Cc1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000374605488 476491473 /nfs/dbraw/zinc/49/14/73/476491473.db2.gz PHTKJYRTWOTOCI-CGTJXYLNSA-N 1 0 338.455 2.689 20 10 EFCDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000377690319 476522611 /nfs/dbraw/zinc/52/26/11/476522611.db2.gz FZQFDCJVAJBLOL-XLIONFOSSA-N 1 0 329.488 2.582 20 10 EFCDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)c1O ZINC000377720506 476545060 /nfs/dbraw/zinc/54/50/60/476545060.db2.gz LTYRYFUWTJWCBS-SJORKVTESA-N 1 0 348.443 2.570 20 10 EFCDRO CCN(CC)C(=O)CCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000378159377 476685382 /nfs/dbraw/zinc/68/53/82/476685382.db2.gz DKRLIZGITZXCTN-UHFFFAOYSA-N 1 0 347.503 2.902 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000378183490 476686000 /nfs/dbraw/zinc/68/60/00/476686000.db2.gz NWXQJGMEZGKNGI-BBRMVZONSA-N 1 0 344.434 2.594 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000378183494 476686121 /nfs/dbraw/zinc/68/61/21/476686121.db2.gz NWXQJGMEZGKNGI-CZUORRHYSA-N 1 0 344.434 2.594 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000378183496 476686308 /nfs/dbraw/zinc/68/63/08/476686308.db2.gz NWXQJGMEZGKNGI-XJKSGUPXSA-N 1 0 344.434 2.594 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCOC[C@@H](C)C2)c1O ZINC000370187091 476688774 /nfs/dbraw/zinc/68/87/74/476688774.db2.gz VUEHXEPCHZPQJE-JTQLQIEISA-N 1 0 330.222 2.632 20 10 EFCDRO Cc1n[nH]cc1C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000375273102 476752857 /nfs/dbraw/zinc/75/28/57/476752857.db2.gz XCYAKXSWTGIPBX-UHFFFAOYSA-N 1 0 340.471 2.934 20 10 EFCDRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000370832136 477002460 /nfs/dbraw/zinc/00/24/60/477002460.db2.gz XMKSIEPGKBJLQB-CQSZACIVSA-N 1 0 345.830 2.513 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3cccc(N(C)C)n3)CC2)cc1 ZINC000376487654 477358866 /nfs/dbraw/zinc/35/88/66/477358866.db2.gz YDNMNIHNVAYFIW-UHFFFAOYSA-N 1 0 340.471 2.915 20 10 EFCDRO COC(=O)C(C)(C)CC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000377075618 477629461 /nfs/dbraw/zinc/62/94/61/477629461.db2.gz CHLWPZHNPYKWTM-UHFFFAOYSA-N 1 0 334.460 2.797 20 10 EFCDRO OC[C@H]1[C@@H]2C[N@H+](Cc3ccc4c(c3)CCN4Cc3ccccc3)C[C@H]12 ZINC000367782673 477688829 /nfs/dbraw/zinc/68/88/29/477688829.db2.gz UAOGMCHQGIBQIY-AERCQKQUSA-N 1 0 334.463 2.919 20 10 EFCDRO Clc1cnn([C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000368117041 477786410 /nfs/dbraw/zinc/78/64/10/477786410.db2.gz WEAMBVPRZVGLAZ-GOSISDBHSA-N 1 0 346.862 2.820 20 10 EFCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1COCCN1 ZINC000530222557 477879044 /nfs/dbraw/zinc/87/90/44/477879044.db2.gz GFYCFYBJJJOLLN-HKUYNNGSSA-N 1 0 326.440 2.644 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000472221619 478012606 /nfs/dbraw/zinc/01/26/06/478012606.db2.gz IARCNDSIKAQKIX-YOEHRIQHSA-N 1 0 342.487 2.968 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000472221616 478012625 /nfs/dbraw/zinc/01/26/25/478012625.db2.gz IARCNDSIKAQKIX-RHSMWYFYSA-N 1 0 342.487 2.968 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000472242861 478013680 /nfs/dbraw/zinc/01/36/80/478013680.db2.gz PYQJZKUKSSPLLQ-MRXNPFEDSA-N 1 0 342.487 2.970 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)ccc21 ZINC000581496164 478381001 /nfs/dbraw/zinc/38/10/01/478381001.db2.gz SPJOUJIRBSCPAB-PBHICJAKSA-N 1 0 343.471 2.714 20 10 EFCDRO CCOCc1cc(C[NH2+][C@@H]2Cc3ccccc3NC2=O)ccc1OC ZINC000527797685 478524265 /nfs/dbraw/zinc/52/42/65/478524265.db2.gz DNMOWMBDRGPLSE-GOSISDBHSA-N 1 0 340.423 2.885 20 10 EFCDRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCc4ccc(Cl)cc43)c21 ZINC000592516024 478926476 /nfs/dbraw/zinc/92/64/76/478926476.db2.gz AVYOLMRBIYOMIX-GFCCVEGCSA-N 1 0 330.819 2.576 20 10 EFCDRO C[NH2+]CCCN(C)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000565150776 478926898 /nfs/dbraw/zinc/92/68/98/478926898.db2.gz LNACCSHKLIDRIK-UHFFFAOYSA-N 1 0 331.460 2.586 20 10 EFCDRO CSc1ccc(N(C)C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)cc1 ZINC000592530182 478935814 /nfs/dbraw/zinc/93/58/14/478935814.db2.gz FCARGCSNBDNCKZ-LBPRGKRZSA-N 1 0 330.457 2.718 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)ccc21 ZINC000583760169 478935859 /nfs/dbraw/zinc/93/58/59/478935859.db2.gz BYKAOPMOSMDNSQ-SCLBCKFNSA-N 1 0 343.471 2.714 20 10 EFCDRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CC4(CCC4)c4ccccc43)c21 ZINC000592567174 478943359 /nfs/dbraw/zinc/94/33/59/478943359.db2.gz NDQJRNHUBALZHO-AWEZNQCLSA-N 1 0 336.439 2.801 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCC1=CC[NH2+]CC1 ZINC000565823278 479080017 /nfs/dbraw/zinc/08/00/17/479080017.db2.gz IGYVGJNVRHXTAQ-UHFFFAOYSA-N 1 0 326.444 2.596 20 10 EFCDRO C[NH2+]CCc1ccccc1C(=O)N1CCN(C)c2cc(F)ccc21 ZINC000568399231 479124970 /nfs/dbraw/zinc/12/49/70/479124970.db2.gz GAQDQERALSCDLH-UHFFFAOYSA-N 1 0 327.403 2.684 20 10 EFCDRO COCCc1noc(CC2CC[NH+](Cc3cccc(C)c3O)CC2)n1 ZINC000529642867 479234109 /nfs/dbraw/zinc/23/41/09/479234109.db2.gz OPUOBMZXQLKITL-UHFFFAOYSA-N 1 0 345.443 2.727 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC[C@H]3CC[NH2+]C3)ccc21 ZINC000574215592 479242265 /nfs/dbraw/zinc/24/22/65/479242265.db2.gz OPRMQZBIWCSKJG-MRXNPFEDSA-N 1 0 343.471 2.634 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCCC[C@@H]3C[NH3+])ccc21 ZINC000653046019 481045402 /nfs/dbraw/zinc/04/54/02/481045402.db2.gz BTPVNZCPXBCAKG-QGZVFWFLSA-N 1 0 343.471 2.858 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCC[NH2+]CC3)ccc21 ZINC000653132689 481099613 /nfs/dbraw/zinc/09/96/13/481099613.db2.gz WLFHPCSBOPDSFP-KRWDZBQOSA-N 1 0 343.471 2.776 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)ccc21 ZINC000653133461 481100780 /nfs/dbraw/zinc/10/07/80/481100780.db2.gz MGJNUSVJSVTCRI-IAGOWNOFSA-N 1 0 343.471 2.904 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NCCC3(C[NH3+])CC3)ccc21 ZINC000653222976 481159440 /nfs/dbraw/zinc/15/94/40/481159440.db2.gz YATLYWMEXPHEDP-UHFFFAOYSA-N 1 0 343.471 2.763 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]([NH3+])C[C@H]3C)ccc21 ZINC000654822107 482065701 /nfs/dbraw/zinc/06/57/01/482065701.db2.gz IDUIGTNESPMBRJ-DYVFJYSZSA-N 1 0 343.471 2.856 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]([NH3+])C[C@@H]3C)ccc21 ZINC000654822108 482065715 /nfs/dbraw/zinc/06/57/15/482065715.db2.gz IDUIGTNESPMBRJ-GUYCJALGSA-N 1 0 343.471 2.856 20 10 EFCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180934989 533793829 /nfs/dbraw/zinc/79/38/29/533793829.db2.gz GMOVUHHYRNNGTM-JNIGEABNSA-N 1 0 346.471 2.985 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCCOC[C@H]3CCCO3)CC2)cc1 ZINC000163494871 533998293 /nfs/dbraw/zinc/99/82/93/533998293.db2.gz OWJWDTOPXXFEBZ-HXUWFJFHSA-N 1 0 348.487 2.839 20 10 EFCDRO Oc1cc2c(cc1C[NH+]1CCC(O)(c3ccccc3)CC1)OCO2 ZINC000185638169 534449661 /nfs/dbraw/zinc/44/96/61/534449661.db2.gz AOWNKQQJWMGQBG-UHFFFAOYSA-N 1 0 327.380 2.605 20 10 EFCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000297965462 522310496 /nfs/dbraw/zinc/31/04/96/522310496.db2.gz ZMBMGXBYXBMMIZ-WBMJQRKESA-N 1 0 346.452 2.638 20 10 EFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)c1O ZINC000177263063 527210823 /nfs/dbraw/zinc/21/08/23/527210823.db2.gz WQKUCCJWPLNXBE-LBPRGKRZSA-N 1 0 333.363 2.805 20 10 EFCDRO CCCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)[C@@H]1CC[NH2+]C1 ZINC000178918286 527782131 /nfs/dbraw/zinc/78/21/31/527782131.db2.gz ATDGRHFXVCMCNT-MRXNPFEDSA-N 1 0 326.444 2.703 20 10 EFCDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000177854946 527810208 /nfs/dbraw/zinc/81/02/08/527810208.db2.gz PONSFZBCJXJPFF-SFHVURJKSA-N 1 0 344.503 2.770 20 10 EFCDRO CCC[N@H+](Cc1nn2c(nc(C)cc2=O)s1)Cc1ccccc1O ZINC000170779294 528155295 /nfs/dbraw/zinc/15/52/95/528155295.db2.gz VVZMQPQYAIVXIF-UHFFFAOYSA-N 1 0 344.440 2.577 20 10 EFCDRO CC[NH+](CC)CCSCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000172721047 528161474 /nfs/dbraw/zinc/16/14/74/528161474.db2.gz VUMVOVSLNXSJHW-UHFFFAOYSA-N 1 0 341.496 2.583 20 10 EFCDRO CCOCc1cc(C[NH2+]C(C)(C)CCS(C)(=O)=O)ccc1OC ZINC000174637826 529034829 /nfs/dbraw/zinc/03/48/29/529034829.db2.gz GEVUXIHBMMCOFD-UHFFFAOYSA-N 1 0 343.489 2.535 20 10 EFCDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Cc1ccc(N)cc1 ZINC000262657860 535523437 /nfs/dbraw/zinc/52/34/37/535523437.db2.gz VSUWSCGBGIDDBR-UHFFFAOYSA-N 1 0 345.409 2.934 20 10 EFCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000237000694 535632171 /nfs/dbraw/zinc/63/21/71/535632171.db2.gz ZARWZQHSYDZIAQ-UHFFFAOYSA-N 1 0 348.468 2.713 20 10 EFCDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccccc1O)c1ccco1 ZINC000263780625 535658492 /nfs/dbraw/zinc/65/84/92/535658492.db2.gz WEKTZIHEGNIQPW-HNNXBMFYSA-N 1 0 331.416 2.868 20 10 EFCDRO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000236915087 535678596 /nfs/dbraw/zinc/67/85/96/535678596.db2.gz FIRXUXNVVQOQBU-DOMZBBRYSA-N 1 0 341.402 2.500 20 10 EFCDRO CN1CCC([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000363157769 536343581 /nfs/dbraw/zinc/34/35/81/536343581.db2.gz NCNXCPHNEKWAMU-UHFFFAOYSA-N 1 0 339.430 2.941 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)c2C)cc1 ZINC000261869590 536550075 /nfs/dbraw/zinc/55/00/75/536550075.db2.gz SDIMKMZLVQQWNB-XJKSGUPXSA-N 1 0 341.455 2.912 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@](C)(C[NH3+])C3)c2C)cc1 ZINC000262177054 536550631 /nfs/dbraw/zinc/55/06/31/536550631.db2.gz YWHZKTCJYPSCLW-FQEVSTJZSA-N 1 0 341.455 2.914 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N(C)C3CC[NH2+]CC3)c2C)cc1 ZINC000237504133 536550799 /nfs/dbraw/zinc/55/07/99/536550799.db2.gz YMLNLVJHRBZUIE-UHFFFAOYSA-N 1 0 341.455 2.927 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NCC[C@@H]3CC[NH2+]C3)c2C)cc1 ZINC000262599508 536550834 /nfs/dbraw/zinc/55/08/34/536550834.db2.gz WVFDRNLXKUOXOW-INIZCTEOSA-N 1 0 341.455 2.832 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)Cc3ccccc3)CC2)cc1 ZINC000305108409 536669250 /nfs/dbraw/zinc/66/92/50/536669250.db2.gz DUXONIKGUKRSFG-HXUWFJFHSA-N 1 0 340.467 2.857 20 10 EFCDRO COc1ccc(N2CC[NH+](CCCNc3cccc(F)n3)CC2)cc1 ZINC000301115365 536695711 /nfs/dbraw/zinc/69/57/11/536695711.db2.gz VEBJNTHVFHTJQO-UHFFFAOYSA-N 1 0 344.434 2.854 20 10 EFCDRO COC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3CCO)cc2)CC1 ZINC000295906965 536758264 /nfs/dbraw/zinc/75/82/64/536758264.db2.gz FLYYETYPMYNBEZ-YLJYHZDGSA-N 1 0 332.488 2.943 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cc1OC ZINC000271864946 536856186 /nfs/dbraw/zinc/85/61/86/536856186.db2.gz WACRGBMRCIPHKG-MCFWBGNESA-N 1 0 349.452 2.998 20 10 EFCDRO COc1c(O)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000290886614 536861576 /nfs/dbraw/zinc/86/15/76/536861576.db2.gz LBXYCRBHMVMBNT-RHSMWYFYSA-N 1 0 348.399 2.843 20 10 EFCDRO Cc1cc(C[NH2+]C[C@H](C)S(C)(=O)=O)c(C)n1-c1cccc(C)c1 ZINC000754081647 575386788 /nfs/dbraw/zinc/38/67/88/575386788.db2.gz JKXGGXPUSDEKOL-HNNXBMFYSA-N 1 0 334.485 2.925 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000756361582 575723251 /nfs/dbraw/zinc/72/32/51/575723251.db2.gz KGUMTNAFSVERBY-OAHLLOKOSA-N 1 0 334.460 2.951 20 10 EFCDRO CNC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000756433618 575738536 /nfs/dbraw/zinc/73/85/36/575738536.db2.gz FIZMEJPHUDQBIV-GFCCVEGCSA-N 1 0 332.375 2.507 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000756435129 575738828 /nfs/dbraw/zinc/73/88/28/575738828.db2.gz WJQIHTPIRYQYBF-HUUCEWRRSA-N 1 0 334.460 2.951 20 10 EFCDRO CCN(CC)C(=O)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000756460288 575742611 /nfs/dbraw/zinc/74/26/11/575742611.db2.gz ZISNYOHKLAKVBI-SNVBAGLBSA-N 1 0 329.238 2.674 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756459915 575742636 /nfs/dbraw/zinc/74/26/36/575742636.db2.gz QECCXDGDHRYRHZ-WDEREUQCSA-N 1 0 333.259 2.806 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c1 ZINC000756553725 575760724 /nfs/dbraw/zinc/76/07/24/575760724.db2.gz HXHMHPAZPIEIQU-AWEZNQCLSA-N 1 0 349.452 2.834 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000756572656 575764486 /nfs/dbraw/zinc/76/44/86/575764486.db2.gz HHUNFOKVOBCANN-YOEHRIQHSA-N 1 0 334.460 2.695 20 10 EFCDRO C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756587046 575765655 /nfs/dbraw/zinc/76/56/55/575765655.db2.gz YJCLEEFSTYCNJA-STQMWFEESA-N 1 0 340.414 2.822 20 10 EFCDRO C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c2c1c(F)ccc2O ZINC000756709433 575779677 /nfs/dbraw/zinc/77/96/77/575779677.db2.gz ZKRXUMJPTARLLJ-CMPLNLGQSA-N 1 0 329.437 2.883 20 10 EFCDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756760904 575784758 /nfs/dbraw/zinc/78/47/58/575784758.db2.gz KROOPEZSTGDSOQ-ZFWWWQNUSA-N 1 0 340.489 2.801 20 10 EFCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000756774602 575785824 /nfs/dbraw/zinc/78/58/24/575785824.db2.gz KNAKCKUTEJXFBF-IRUJWGPZSA-N 1 0 341.249 2.720 20 10 EFCDRO C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1cc(Br)ccc1O ZINC000757656628 575847827 /nfs/dbraw/zinc/84/78/27/575847827.db2.gz BSTQHYLWELWQQX-YGRLFVJLSA-N 1 0 344.249 2.593 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc(F)ccc1O ZINC000757659710 575848169 /nfs/dbraw/zinc/84/81/69/575848169.db2.gz ZLFIWYVDCVPENS-SUMWQHHRSA-N 1 0 343.402 2.768 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NCC3)c1 ZINC000757661000 575848368 /nfs/dbraw/zinc/84/83/68/575848368.db2.gz LZPZLFKRGVWAEH-GFCCVEGCSA-N 1 0 326.396 2.538 20 10 EFCDRO C[C@@H]([NH2+]C1COC(C)(C)OC1)c1ccc(Br)cc1O ZINC000757705545 575850898 /nfs/dbraw/zinc/85/08/98/575850898.db2.gz OSOKYNIOOGBIJI-SECBINFHSA-N 1 0 330.222 2.957 20 10 EFCDRO Cc1cccc(C[NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)c1O ZINC000757906119 575855578 /nfs/dbraw/zinc/85/55/78/575855578.db2.gz JIUAVISZSZIGIG-OAHLLOKOSA-N 1 0 332.831 2.788 20 10 EFCDRO COCC1(O)CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC000758375970 575868035 /nfs/dbraw/zinc/86/80/35/575868035.db2.gz XWYWMGPQTIUQTC-UHFFFAOYSA-N 1 0 331.412 2.527 20 10 EFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000758693544 575875699 /nfs/dbraw/zinc/87/56/99/575875699.db2.gz DWUYIWWTLUPTRB-SFHVURJKSA-N 1 0 344.503 2.960 20 10 EFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000758727872 575876406 /nfs/dbraw/zinc/87/64/06/575876406.db2.gz AQBZOBYOIUSQMC-GOSISDBHSA-N 1 0 344.503 2.743 20 10 EFCDRO C[NH+](C)C1(CNC(=O)NCCCSc2nccs2)CCCC1 ZINC000759537023 575896296 /nfs/dbraw/zinc/89/62/96/575896296.db2.gz ALFPBUCADBXLPX-UHFFFAOYSA-N 1 0 342.534 2.799 20 10 EFCDRO C[C@H](CNC(=O)NCCCSc1nccs1)[NH+]1CCCCC1 ZINC000759571421 575902762 /nfs/dbraw/zinc/90/27/62/575902762.db2.gz ZTEGHQOXSOXZPH-CYBMUJFWSA-N 1 0 342.534 2.799 20 10 EFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCCSc1nccs1 ZINC000759586589 575904953 /nfs/dbraw/zinc/90/49/53/575904953.db2.gz RZIWIPQLZOBGSM-ZDUSSCGKSA-N 1 0 342.534 2.799 20 10 EFCDRO CC(C)CN(CC[NH+](C)C)C(=O)NCCCSc1nccs1 ZINC000759600167 575907464 /nfs/dbraw/zinc/90/74/64/575907464.db2.gz AHODWCRHVOYKLO-UHFFFAOYSA-N 1 0 344.550 2.855 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC34CCC4)cc2F)CC1 ZINC000759783070 575933801 /nfs/dbraw/zinc/93/38/01/575933801.db2.gz GFQMDMRCCMZSJG-MRXNPFEDSA-N 1 0 345.462 2.774 20 10 EFCDRO CC(C)[N@H+](CCCCS(C)(=O)=O)Cc1ccc(N(C)C)cc1 ZINC000759786199 575934021 /nfs/dbraw/zinc/93/40/21/575934021.db2.gz WBHPLGSIDPAKML-UHFFFAOYSA-N 1 0 326.506 2.788 20 10 EFCDRO CCN(CC)c1ccc(CNC(=S)NCC2CC[NH+](C)CC2)cc1 ZINC000760468959 576028796 /nfs/dbraw/zinc/02/87/96/576028796.db2.gz WBZYFBICYSEREX-UHFFFAOYSA-N 1 0 348.560 2.839 20 10 EFCDRO COc1cccc(O)c1C[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000760700894 576063644 /nfs/dbraw/zinc/06/36/44/576063644.db2.gz NETSJNLWAFRBAC-UHFFFAOYSA-N 1 0 342.317 2.983 20 10 EFCDRO CN(Cc1cc2c(cc1O)OCO2)c1ccc(OCC[NH+](C)C)cc1 ZINC000761221397 576131746 /nfs/dbraw/zinc/13/17/46/576131746.db2.gz LRVFTXDNGZJVTB-UHFFFAOYSA-N 1 0 344.411 2.698 20 10 EFCDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)cc(C)c1O ZINC000761222752 576132177 /nfs/dbraw/zinc/13/21/77/576132177.db2.gz MMLVEPWXUJUTQR-UONOGXRCSA-N 1 0 344.249 2.747 20 10 EFCDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)cc(C)c1O ZINC000761222750 576132393 /nfs/dbraw/zinc/13/23/93/576132393.db2.gz MMLVEPWXUJUTQR-KGLIPLIRSA-N 1 0 344.249 2.747 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CCO)C2CCOCC2)cc1F ZINC000763466731 576378478 /nfs/dbraw/zinc/37/84/78/576378478.db2.gz MKEZWRCTTZYJBQ-SFHVURJKSA-N 1 0 338.467 2.939 20 10 EFCDRO C[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000764767203 576500777 /nfs/dbraw/zinc/50/07/77/576500777.db2.gz HKBFYEGAISDNFN-AWEZNQCLSA-N 1 0 347.484 2.975 20 10 EFCDRO COC[C@H]([NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 ZINC000765128954 577009977 /nfs/dbraw/zinc/00/99/77/577009977.db2.gz YXCXSVXDRSHJDW-DEYYWGMASA-N 1 0 336.451 2.954 20 10 EFCDRO COC[C@@H](CC(C)C)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765244493 577022930 /nfs/dbraw/zinc/02/29/30/577022930.db2.gz MZRCDOPEDNICTM-QZTJIDSGSA-N 1 0 347.503 2.539 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C=C[C@H](CO)C2)ccc1N1CCCCC1 ZINC000765253660 577023594 /nfs/dbraw/zinc/02/35/94/577023594.db2.gz ILFDORRXZBAFGA-JKSUJKDBSA-N 1 0 331.416 2.612 20 10 EFCDRO CCOc1ccc(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)c(O)c1 ZINC000765655772 577063147 /nfs/dbraw/zinc/06/31/47/577063147.db2.gz GQBGDAQDAKNXML-KRWDZBQOSA-N 1 0 349.452 2.666 20 10 EFCDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1cccc(Br)c1O ZINC000765770887 577074762 /nfs/dbraw/zinc/07/47/62/577074762.db2.gz RUZCMJSARLUVQO-QWRGUYRKSA-N 1 0 341.249 2.644 20 10 EFCDRO Cc1noc2ncc(NCc3ccc(N4CC[NH+](C)CC4)cc3)cc12 ZINC000765944910 577090829 /nfs/dbraw/zinc/09/08/29/577090829.db2.gz UYLSHOKGTZFDBR-UHFFFAOYSA-N 1 0 337.427 2.895 20 10 EFCDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@@H]1C ZINC000766250936 577127250 /nfs/dbraw/zinc/12/72/50/577127250.db2.gz LUWPDQXVVGKYEA-JKSUJKDBSA-N 1 0 344.503 2.693 20 10 EFCDRO COC(=O)C[C@]1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCOC1 ZINC000766471791 577155127 /nfs/dbraw/zinc/15/51/27/577155127.db2.gz ZVYUOCDTMLDSKG-HXUWFJFHSA-N 1 0 341.407 2.871 20 10 EFCDRO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000766666710 577176017 /nfs/dbraw/zinc/17/60/17/577176017.db2.gz FIDOIEHUQHZXIR-KRWDZBQOSA-N 1 0 337.485 2.670 20 10 EFCDRO CCOc1ccc(C[NH2+]CC(=O)Nc2ccc(F)c(F)c2)c(O)c1 ZINC000725841567 577243751 /nfs/dbraw/zinc/24/37/51/577243751.db2.gz HFTNSMRMIHVOEF-UHFFFAOYSA-N 1 0 336.338 2.797 20 10 EFCDRO CCOc1ccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)c(O)c1 ZINC000725845096 577246266 /nfs/dbraw/zinc/24/62/66/577246266.db2.gz KJDOMHNKUHZFPJ-UHFFFAOYSA-N 1 0 338.411 2.721 20 10 EFCDRO O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[O-] ZINC000725845711 577246758 /nfs/dbraw/zinc/24/67/58/577246758.db2.gz IGFBDHCUCFZVAP-CHWSQXEVSA-N 1 0 325.796 2.670 20 10 EFCDRO COc1cccc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000725846669 577247205 /nfs/dbraw/zinc/24/72/05/577247205.db2.gz OMCBMSMDSADGNS-INIZCTEOSA-N 1 0 328.412 2.710 20 10 EFCDRO O=C(C[NH2+]Cc1ccc2c(c1)CCO2)Nc1cccc2cccnc21 ZINC000725851128 577250486 /nfs/dbraw/zinc/25/04/86/577250486.db2.gz NVFBTRQUKNMILN-UHFFFAOYSA-N 1 0 333.391 2.898 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1F ZINC000768193267 577260379 /nfs/dbraw/zinc/26/03/79/577260379.db2.gz ZOBINGIDDMFYNX-SFHVURJKSA-N 1 0 349.494 2.969 20 10 EFCDRO Cn1cccc1C(=O)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000768220317 577261262 /nfs/dbraw/zinc/26/12/62/577261262.db2.gz NPWIVFACJGUJGS-UHFFFAOYSA-N 1 0 349.434 2.842 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000768220313 577261374 /nfs/dbraw/zinc/26/13/74/577261374.db2.gz NPEJUAYMRBDLEX-UHFFFAOYSA-N 1 0 340.423 2.795 20 10 EFCDRO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)NCC(C)C)CC2)c1 ZINC000768229607 577261928 /nfs/dbraw/zinc/26/19/28/577261928.db2.gz NASKLTHFRRMOFH-UHFFFAOYSA-N 1 0 334.460 2.775 20 10 EFCDRO C[N@H+](CCCOc1ccccc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768438649 577273562 /nfs/dbraw/zinc/27/35/62/577273562.db2.gz DEEJGMCQMLCLDY-SFHVURJKSA-N 1 0 329.396 2.719 20 10 EFCDRO C[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)[NH+]1[C@H](C)CC[C@H]1C ZINC000725893715 577273601 /nfs/dbraw/zinc/27/36/01/577273601.db2.gz SXQCGZRVFUOMFF-BZUAXINKSA-N 1 0 329.488 2.947 20 10 EFCDRO CCC[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000768446397 577274459 /nfs/dbraw/zinc/27/44/59/577274459.db2.gz NQOYXRIESXKKMV-PTKHLAPESA-N 1 0 347.455 2.844 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](Cc3ccccc3)C1)[C@@H](O)CO2 ZINC000768448992 577274837 /nfs/dbraw/zinc/27/48/37/577274837.db2.gz YZTDWXQAEUELLE-BEFAXECRSA-N 1 0 325.408 2.883 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](c3cccc(F)c3)C1)[C@@H](O)CO2 ZINC000768452706 577274967 /nfs/dbraw/zinc/27/49/67/577274967.db2.gz QVDBSFMPELSEEE-UGSOOPFHSA-N 1 0 329.371 2.947 20 10 EFCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)C12CCC2 ZINC000768461287 577275541 /nfs/dbraw/zinc/27/55/41/577275541.db2.gz ACLQZKFJCBQSOP-CGTJXYLNSA-N 1 0 333.428 2.598 20 10 EFCDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462503 577275686 /nfs/dbraw/zinc/27/56/86/577275686.db2.gz MCJVXRWQSKAXCY-KBAYOESNSA-N 1 0 335.444 2.844 20 10 EFCDRO Oc1cc2c(cc1C[NH2+]C1(c3nccs3)CCCC1)[C@@H](O)CO2 ZINC000768465638 577276287 /nfs/dbraw/zinc/27/62/87/577276287.db2.gz OAHDAIJCVNIANY-AWEZNQCLSA-N 1 0 332.425 2.834 20 10 EFCDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000768676553 577294425 /nfs/dbraw/zinc/29/44/25/577294425.db2.gz DQZXUEKDAQRWLC-OAGGEKHMSA-N 1 0 346.450 2.814 20 10 EFCDRO Cc1ccc(O)c(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c1 ZINC000768781203 577301886 /nfs/dbraw/zinc/30/18/86/577301886.db2.gz PSUIHAAXSVOGRM-UHFFFAOYSA-N 1 0 330.350 2.591 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000768867108 577311640 /nfs/dbraw/zinc/31/16/40/577311640.db2.gz BDWVHDZFDAGEAL-HNNXBMFYSA-N 1 0 346.471 2.871 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1F ZINC000769330416 577352661 /nfs/dbraw/zinc/35/26/61/577352661.db2.gz WMBUKJAHOWQIBN-VQTJNVASSA-N 1 0 349.494 2.703 20 10 EFCDRO CCOc1ccc(C[NH+]2CCN(c3cc(OC)ccn3)CC2)c(O)c1 ZINC000769331072 577352896 /nfs/dbraw/zinc/35/28/96/577352896.db2.gz BXZHDMYMXIAIPX-UHFFFAOYSA-N 1 0 343.427 2.517 20 10 EFCDRO COc1cccc(O)c1C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769335545 577353064 /nfs/dbraw/zinc/35/30/64/577353064.db2.gz ZKQBVJVQLMUCPA-CYBMUJFWSA-N 1 0 336.432 2.842 20 10 EFCDRO Oc1ccc(Br)cc1CN1CC[NH+](C2CCC2)CC1 ZINC000769413496 577360825 /nfs/dbraw/zinc/36/08/25/577360825.db2.gz SCDFGGMSHAOGEY-UHFFFAOYSA-N 1 0 325.250 2.825 20 10 EFCDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC000769470636 577365015 /nfs/dbraw/zinc/36/50/15/577365015.db2.gz MLYQOMSBTQJHAE-WMZOPIPTSA-N 1 0 349.494 2.967 20 10 EFCDRO COc1ccc(N2CCC(NC(=O)c3cnc(C)s3)CC2)cc1 ZINC000726563215 577374008 /nfs/dbraw/zinc/37/40/08/577374008.db2.gz VTSJYROTDRMKPM-UHFFFAOYSA-N 1 0 331.441 2.859 20 10 EFCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000770381838 577414061 /nfs/dbraw/zinc/41/40/61/577414061.db2.gz QECQYWMHKPDKIM-QAPCUYQASA-N 1 0 333.432 2.788 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c(O)c1 ZINC000770382921 577414254 /nfs/dbraw/zinc/41/42/54/577414254.db2.gz FQLIUXWEAPCUQB-WMZOPIPTSA-N 1 0 345.443 2.613 20 10 EFCDRO O=C(NC1CC[NH+](Cc2ccccc2O)CC1)c1ccc(F)cc1 ZINC000770509305 577422252 /nfs/dbraw/zinc/42/22/52/577422252.db2.gz KTOFXXOCZYSGOS-UHFFFAOYSA-N 1 0 328.387 2.926 20 10 EFCDRO C[C@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000770621893 581117512 /nfs/dbraw/zinc/11/75/12/581117512.db2.gz MUEVAKVKUNCOGH-HNNXBMFYSA-N 1 0 344.503 2.987 20 10 EFCDRO CC[C@@H](OC)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771053678 581169314 /nfs/dbraw/zinc/16/93/14/581169314.db2.gz PPCKZHAYFIRINW-GOEBONIOSA-N 1 0 340.851 2.551 20 10 EFCDRO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c(C)n1-c1ccccn1 ZINC000771398206 581207653 /nfs/dbraw/zinc/20/76/53/581207653.db2.gz SIWVMFKNKSQATG-GJZGRUSLSA-N 1 0 326.444 2.654 20 10 EFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(F)ccc3O)c2)CC1 ZINC000771638044 581229194 /nfs/dbraw/zinc/22/91/94/581229194.db2.gz XQQSRRSGKPVGGF-UHFFFAOYSA-N 1 0 343.402 2.926 20 10 EFCDRO COC[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(C)o1 ZINC000771843462 581249999 /nfs/dbraw/zinc/24/99/99/581249999.db2.gz PZSYEQITAOVQBN-LJQANCHMSA-N 1 0 343.471 2.817 20 10 EFCDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](CO)C2)ccc1N1CCCCC1 ZINC000771929352 581261073 /nfs/dbraw/zinc/26/10/73/581261073.db2.gz XMWGGNRJCXLSLT-MRXNPFEDSA-N 1 0 333.432 2.789 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCCc3nc(C)no3)CC2)cc1 ZINC000772959698 581383693 /nfs/dbraw/zinc/38/36/93/581383693.db2.gz NKTULLXDCVDJMY-UHFFFAOYSA-N 1 0 330.432 2.578 20 10 EFCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)S(C)(=O)=O ZINC000773101366 581396642 /nfs/dbraw/zinc/39/66/42/581396642.db2.gz BVDIQOUCDVNNHT-KGLIPLIRSA-N 1 0 342.480 2.900 20 10 EFCDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773360733 581423034 /nfs/dbraw/zinc/42/30/34/581423034.db2.gz GWRQKENZHWRICM-HOTGVXAUSA-N 1 0 332.492 2.987 20 10 EFCDRO C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773360743 581423078 /nfs/dbraw/zinc/42/30/78/581423078.db2.gz GWRQKENZHWRICM-JKSUJKDBSA-N 1 0 332.492 2.987 20 10 EFCDRO C[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[NH+]1CCCCC1 ZINC000773366736 581423436 /nfs/dbraw/zinc/42/34/36/581423436.db2.gz GIZIZILPUAMPOR-CVEARBPZSA-N 1 0 332.492 2.987 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000774415001 581491081 /nfs/dbraw/zinc/49/10/81/581491081.db2.gz LXPPZIIYWUIJMG-CQSZACIVSA-N 1 0 347.484 2.559 20 10 EFCDRO CCOc1cccc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1O ZINC000821430881 599397263 /nfs/dbraw/zinc/39/72/63/599397263.db2.gz HSELLLVVWRGPDW-LBPRGKRZSA-N 1 0 339.399 2.822 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826210138 608502148 /nfs/dbraw/zinc/50/21/48/608502148.db2.gz GBPPNZJPABHAGC-NWDGAFQWSA-N 1 0 339.399 2.993 20 10 EFCDRO COC(=O)[C@H]1CC12CC[NH+](Cc1c(O)ccc3ccncc31)CC2 ZINC000733791546 1265419789 /nfs/dbraw/zinc/41/97/89/1265419789.db2.gz PEHCQWWDTHNLCH-MRXNPFEDSA-N 1 0 326.396 2.716 20 10 EFCDRO Fc1cc(C[NH2+]Cc2ccnn2CC2CC2)ccc1N1CCOCC1 ZINC000850035172 1250236849 /nfs/dbraw/zinc/23/68/49/1250236849.db2.gz WTVCPJXBUABXIK-UHFFFAOYSA-N 1 0 344.434 2.559 20 10 EFCDRO COCCN1CC[C@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850131608 1250304157 /nfs/dbraw/zinc/30/41/57/1250304157.db2.gz ZJVVKDXOYNOVFD-HNNXBMFYSA-N 1 0 336.476 2.509 20 10 EFCDRO COCCN1CC[C@@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850131611 1250304182 /nfs/dbraw/zinc/30/41/82/1250304182.db2.gz ZJVVKDXOYNOVFD-OAHLLOKOSA-N 1 0 336.476 2.509 20 10 EFCDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850135546 1250307257 /nfs/dbraw/zinc/30/72/57/1250307257.db2.gz NZYJLZMNHQCMLJ-LBPRGKRZSA-N 1 0 343.489 2.611 20 10 EFCDRO Cc1c[nH]c(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000850136720 1250309297 /nfs/dbraw/zinc/30/92/97/1250309297.db2.gz ASPIICYIZZLCBR-OAHLLOKOSA-N 1 0 334.851 2.831 20 10 EFCDRO COCC[C@@](C)(O)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850138748 1250310197 /nfs/dbraw/zinc/31/01/97/1250310197.db2.gz JIVYEZFOOZQLSJ-GOSISDBHSA-N 1 0 325.449 2.575 20 10 EFCDRO CCc1nncn1CC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850166163 1250329211 /nfs/dbraw/zinc/32/92/11/1250329211.db2.gz UQJPYPZYOKNHIK-UHFFFAOYSA-N 1 0 332.448 2.642 20 10 EFCDRO COc1cc(C[NH2+]C[C@]2(O)CCSC2)c(O)c(C(C)(C)C)c1 ZINC000850170572 1250331453 /nfs/dbraw/zinc/33/14/53/1250331453.db2.gz MLXQTJDHXYNEHR-QGZVFWFLSA-N 1 0 325.474 2.656 20 10 EFCDRO COc1cc(C[NH2+][C@H](C)CO[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850180821 1250340589 /nfs/dbraw/zinc/34/05/89/1250340589.db2.gz IDVFOZCFTHXEAU-HIFRSBDPSA-N 1 0 337.460 2.982 20 10 EFCDRO O=C(NCC(F)F)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001273285023 1265476834 /nfs/dbraw/zinc/47/68/34/1265476834.db2.gz MNPHXZAUFBECTJ-ZDUSSCGKSA-N 1 0 342.361 2.515 20 10 EFCDRO COc1cc(C[NH2+]CC2(OC)CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850221147 1250358296 /nfs/dbraw/zinc/35/82/96/1250358296.db2.gz CABYLXMADLSFQV-UHFFFAOYSA-N 1 0 337.460 2.984 20 10 EFCDRO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850226241 1250361449 /nfs/dbraw/zinc/36/14/49/1250361449.db2.gz LNWCISHGEWCHAY-INIZCTEOSA-N 1 0 336.476 2.949 20 10 EFCDRO COc1cc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)c(O)c(C(C)(C)C)c1 ZINC000850319756 1250426437 /nfs/dbraw/zinc/42/64/37/1250426437.db2.gz FSQKPDGNLQCGJQ-PBHICJAKSA-N 1 0 346.471 2.941 20 10 EFCDRO CCOc1cccc(C[NH2+]CC2(S(C)(=O)=O)CCCCC2)c1O ZINC000850376787 1250454401 /nfs/dbraw/zinc/45/44/01/1250454401.db2.gz MJLGHLLJKBCTLN-UHFFFAOYSA-N 1 0 341.473 2.628 20 10 EFCDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850405624 1250469530 /nfs/dbraw/zinc/46/95/30/1250469530.db2.gz XBDOJWSNKCGYGE-UHFFFAOYSA-N 1 0 341.411 2.846 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cnc(C4CC4)nc3)cc2)CC1 ZINC000850406397 1250469684 /nfs/dbraw/zinc/46/96/84/1250469684.db2.gz FOJVGCSCOGFTMY-UHFFFAOYSA-N 1 0 338.455 2.605 20 10 EFCDRO COc1cccc(O)c1C[NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1 ZINC000850418845 1250476012 /nfs/dbraw/zinc/47/60/12/1250476012.db2.gz RIFZRZPMFCRJDH-AWEZNQCLSA-N 1 0 327.302 2.641 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(N2CCOCC2)cc1 ZINC000850428137 1250486245 /nfs/dbraw/zinc/48/62/45/1250486245.db2.gz KQPXLKHRKKCIPM-QAPCUYQASA-N 1 0 326.444 2.905 20 10 EFCDRO COC1([C@@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CCC1 ZINC000850475282 1250498589 /nfs/dbraw/zinc/49/85/89/1250498589.db2.gz VUDDIMUZCYCAKT-CYBMUJFWSA-N 1 0 340.414 2.849 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850514151 1250518864 /nfs/dbraw/zinc/51/88/64/1250518864.db2.gz CRGBCAIDWORTEP-KGLIPLIRSA-N 1 0 338.879 2.988 20 10 EFCDRO CCn1cc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)nn1 ZINC000850522475 1250520601 /nfs/dbraw/zinc/52/06/01/1250520601.db2.gz QQROUBDXIBTBRU-SNVBAGLBSA-N 1 0 339.237 2.925 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](C)[C@@H]([NH3+])C3)c2C)cc1 ZINC000850721563 1250578210 /nfs/dbraw/zinc/57/82/10/1250578210.db2.gz AXOYVIRHCCKQSW-YJYMSZOUSA-N 1 0 341.455 2.912 20 10 EFCDRO CN(CCCC[NH+]1CCCCC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000922324181 1265547075 /nfs/dbraw/zinc/54/70/75/1265547075.db2.gz RSQKGOVEGZKIJG-CSKARUKUSA-N 1 0 332.444 2.836 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1([NH3+])CCCC1 ZINC000851670952 1251195563 /nfs/dbraw/zinc/19/55/63/1251195563.db2.gz COPVMLVDFVRNNI-UHFFFAOYSA-N 1 0 332.492 2.944 20 10 EFCDRO C[NH2+]C[C@H](C)NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000851681535 1251207788 /nfs/dbraw/zinc/20/77/88/1251207788.db2.gz OVWPGZOFKVPFSA-HNNXBMFYSA-N 1 0 344.459 2.665 20 10 EFCDRO COc1ccc(N2CCC[N@H+](CC[C@@H]3COC(C)(C)O3)CC2)cc1 ZINC000851733551 1251230994 /nfs/dbraw/zinc/23/09/94/1251230994.db2.gz ZHIQYVKVLKGEMX-GOSISDBHSA-N 1 0 334.460 2.749 20 10 EFCDRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cc2c(cc1O)CCCC2 ZINC000186090035 1254279153 /nfs/dbraw/zinc/27/91/53/1254279153.db2.gz WLEYUMNODOLJLJ-ZDUSSCGKSA-N 1 0 337.485 2.746 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@H](C)CO3)CC2)cc1C ZINC000996819399 1256177245 /nfs/dbraw/zinc/17/72/45/1256177245.db2.gz VVRJGEUKGLQHQH-IFXJQAMLSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC34CC4)CC2)cc1C ZINC000997039963 1256725787 /nfs/dbraw/zinc/72/57/87/1256725787.db2.gz FPKPDIBYPMCVRJ-KRWDZBQOSA-N 1 0 328.456 2.884 20 10 EFCDRO c1cc2c(cc1C[NH2+]CCc1nnc3n1CCCCC3)CCCO2 ZINC000921522737 1256908835 /nfs/dbraw/zinc/90/88/35/1256908835.db2.gz QJMOSZHJABWEEZ-UHFFFAOYSA-N 1 0 326.444 2.662 20 10 EFCDRO CC[NH+]1CCC([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000997438831 1257582017 /nfs/dbraw/zinc/58/20/17/1257582017.db2.gz JRNFFMGHMHQKRB-GFCCVEGCSA-N 1 0 331.420 2.699 20 10 EFCDRO CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(C)cc1O)C2 ZINC001272764664 1257676858 /nfs/dbraw/zinc/67/68/58/1257676858.db2.gz CRBPMUBCSNWSGB-JXFKEZNVSA-N 1 0 346.471 2.550 20 10 EFCDRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)c(O)c1 ZINC001272765822 1257691742 /nfs/dbraw/zinc/69/17/42/1257691742.db2.gz KZYWSJJKIMXYDW-ZIAGYGMSSA-N 1 0 342.361 2.828 20 10 EFCDRO O=C1[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCN1Cc1ccccc1 ZINC000921624675 1257831092 /nfs/dbraw/zinc/83/10/92/1257831092.db2.gz OFUMKUOBXYSYTC-IBGZPJMESA-N 1 0 336.435 2.902 20 10 EFCDRO COc1cc(Br)cc(CN2CCC[C@@H](C)[C@@H]2C[NH3+])c1O ZINC000843053144 1258290485 /nfs/dbraw/zinc/29/04/85/1258290485.db2.gz YUBAZVCESKRGFC-MFKMUULPSA-N 1 0 343.265 2.723 20 10 EFCDRO CC[NH+]1CCC([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000997875585 1258559138 /nfs/dbraw/zinc/55/91/38/1258559138.db2.gz JRNFFMGHMHQKRB-LBPRGKRZSA-N 1 0 331.420 2.699 20 10 EFCDRO CN1CC[C@]2(CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1=O ZINC001273306583 1266244934 /nfs/dbraw/zinc/24/49/34/1266244934.db2.gz IRUVYUCRVLXUOU-HXUWFJFHSA-N 1 0 327.472 2.731 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C(C)=O)CC[C@H]2C(F)(F)F)cc1C ZINC000998229349 1259271958 /nfs/dbraw/zinc/27/19/58/1259271958.db2.gz WYBVZSZUVCFGPY-CABCVRRESA-N 1 0 344.377 2.893 20 10 EFCDRO CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)C1=O ZINC001273306945 1266249245 /nfs/dbraw/zinc/24/92/45/1266249245.db2.gz OHDLKHOORBLIGQ-HXUWFJFHSA-N 1 0 327.472 2.874 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3cscn3)C2)cc1C ZINC000998534272 1259652818 /nfs/dbraw/zinc/65/28/18/1259652818.db2.gz FIXJCECLUCRRRO-UHFFFAOYSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3ocnc3C)C2)cc1C ZINC000998590893 1259716574 /nfs/dbraw/zinc/71/65/74/1259716574.db2.gz DYUALVCYBIFMIU-UHFFFAOYSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C)SC)C2)cc1C ZINC000998602082 1259731988 /nfs/dbraw/zinc/73/19/88/1259731988.db2.gz RRKZHTDINLRCSR-HOCLYGCPSA-N 1 0 336.501 2.836 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCCO3)C2)cc1C ZINC000998640433 1259783692 /nfs/dbraw/zinc/78/36/92/1259783692.db2.gz HYJAKWKKNUEOLS-FAFZWHIHSA-N 1 0 346.471 2.652 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCOC3)C2)cc1C ZINC000998721022 1259863091 /nfs/dbraw/zinc/86/30/91/1259863091.db2.gz KOAWLIINIUTDOL-MSOLQXFVSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C(=O)C(C)(C)C)C2)cc1C ZINC000998756573 1259911873 /nfs/dbraw/zinc/91/18/73/1259911873.db2.gz ZOBHGVMZCFRATL-MRXNPFEDSA-N 1 0 346.471 2.699 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCCO3)C2)cc1C ZINC000998931233 1260093786 /nfs/dbraw/zinc/09/37/86/1260093786.db2.gz WMMQUPDQMGCYAK-MJGOQNOKSA-N 1 0 346.471 2.653 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CC3(F)F)C2)cc1C ZINC000999109442 1260225938 /nfs/dbraw/zinc/22/59/38/1260225938.db2.gz WYEZPHDXKCBOIG-HUUCEWRRSA-N 1 0 338.398 2.739 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000131652514 1260444351 /nfs/dbraw/zinc/44/43/51/1260444351.db2.gz YRRQRVJVIZVWMM-QGZVFWFLSA-N 1 0 332.444 2.814 20 10 EFCDRO [O-]c1c(Br)cccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843127386 1261108836 /nfs/dbraw/zinc/10/88/36/1261108836.db2.gz QMFKARJZRKPMOP-CYBMUJFWSA-N 1 0 339.277 2.976 20 10 EFCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000378883204 1266392153 /nfs/dbraw/zinc/39/21/53/1266392153.db2.gz GEMHCYHMBMXBRL-AWEZNQCLSA-N 1 0 336.432 2.890 20 10 EFCDRO CC[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001272903399 1261295880 /nfs/dbraw/zinc/29/58/80/1261295880.db2.gz SNTCUTANCUADLD-DZGCQCFKSA-N 1 0 332.444 2.615 20 10 EFCDRO O=C1N(CC2CCCC2)CC[C@@]12CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001272903648 1261298483 /nfs/dbraw/zinc/29/84/83/1261298483.db2.gz XROUNXFUWITJCY-HXUWFJFHSA-N 1 0 344.455 2.712 20 10 EFCDRO CC[C@@H](C)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001078341266 1261670603 /nfs/dbraw/zinc/67/06/03/1261670603.db2.gz BNEPMZTZZBSZBX-QAPCUYQASA-N 1 0 348.487 2.757 20 10 EFCDRO C/C=C(\C)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001078371599 1261717877 /nfs/dbraw/zinc/71/78/77/1261717877.db2.gz FJRDTVAJRUMZGJ-IQXODGKNSA-N 1 0 346.471 2.677 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C(C)(C)C)CCCO2)cc1C ZINC001078501399 1261875253 /nfs/dbraw/zinc/87/52/53/1261875253.db2.gz KPIKSTSHKDSTIV-QGZVFWFLSA-N 1 0 348.487 2.757 20 10 EFCDRO CC(C)=CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001032810147 1261959047 /nfs/dbraw/zinc/95/90/47/1261959047.db2.gz UZLHHHUPOHWNRI-HOTGVXAUSA-N 1 0 341.415 2.714 20 10 EFCDRO Fc1cccnc1N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921832064 1262062746 /nfs/dbraw/zinc/06/27/46/1262062746.db2.gz FGLWMSAOHXDVPY-INIZCTEOSA-N 1 0 327.403 2.914 20 10 EFCDRO CCN1CCC[C@@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1=O ZINC000922639570 1266497670 /nfs/dbraw/zinc/49/76/70/1266497670.db2.gz OREPMLDONMASGB-MRXNPFEDSA-N 1 0 334.460 2.799 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC34CC4)C[C@H]2C)cc1C ZINC001082762439 1263323970 /nfs/dbraw/zinc/32/39/70/1263323970.db2.gz OHDNFAIDEKGSAF-DJIMGWMZSA-N 1 0 328.456 2.740 20 10 EFCDRO O=C1[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCCN1CC(F)(F)F ZINC000921915633 1263371373 /nfs/dbraw/zinc/37/13/73/1263371373.db2.gz WBSVMFBLENWCSK-CQSZACIVSA-N 1 0 342.361 2.655 20 10 EFCDRO CCC[NH+]1CCC(NC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000730579547 1264375985 /nfs/dbraw/zinc/37/59/85/1264375985.db2.gz WEKGEPCFQMRXOS-UHFFFAOYSA-N 1 0 344.503 2.960 20 10 EFCDRO CC(C)OC1CC[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000730570187 1264378861 /nfs/dbraw/zinc/37/88/61/1264378861.db2.gz ISOQBPLJTIJTID-UHFFFAOYSA-N 1 0 347.503 2.600 20 10 EFCDRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000730790576 1264443066 /nfs/dbraw/zinc/44/30/66/1264443066.db2.gz ZWVKCFLOBMWRKW-SFHVURJKSA-N 1 0 341.455 2.545 20 10 EFCDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc4c(c3)CCCO4)[C@@H]2C1 ZINC000922134719 1264483487 /nfs/dbraw/zinc/48/34/87/1264483487.db2.gz ROGCAWGDNVQWRC-IPMKNSEASA-N 1 0 328.456 2.748 20 10 EFCDRO CC(C)([NH2+]Cc1cc2c(cc1O)OCO2)C(=O)Nc1ccccc1 ZINC000731041606 1264531187 /nfs/dbraw/zinc/53/11/87/1264531187.db2.gz JPICSMKLOWBJOC-UHFFFAOYSA-N 1 0 328.368 2.628 20 10 EFCDRO Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCO1 ZINC000922164455 1264735027 /nfs/dbraw/zinc/73/50/27/1264735027.db2.gz ZZAACSDZFQPMPI-QFBILLFUSA-N 1 0 327.428 2.755 20 10 EFCDRO O=S(=O)(CC[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000733325594 1265170110 /nfs/dbraw/zinc/17/01/10/1265170110.db2.gz LSDGCGLXSRWQGF-UHFFFAOYSA-N 1 0 325.817 2.609 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CCNC(=O)c2ccc(F)cc2)cc1F ZINC000733327660 1265170873 /nfs/dbraw/zinc/17/08/73/1265170873.db2.gz AQLDATKPFHUFPM-UHFFFAOYSA-N 1 0 333.382 2.550 20 10 EFCDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000733329539 1265172516 /nfs/dbraw/zinc/17/25/16/1265172516.db2.gz VANAUUAPYZRCKF-CQSZACIVSA-N 1 0 333.453 2.972 20 10 EFCDRO O[C@@H]1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824715215 1278258307 /nfs/dbraw/zinc/25/83/07/1278258307.db2.gz JIDPERVSZVPPOH-YVWKXTFCSA-N 1 0 348.462 2.788 20 10 EFCDRO CS(=O)(=O)c1ccccc1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922682849 1266571434 /nfs/dbraw/zinc/57/14/34/1266571434.db2.gz KZLNHDCQPFCWHY-UHFFFAOYSA-N 1 0 345.464 2.747 20 10 EFCDRO CS(=O)(=O)c1ccccc1CC[NH2+]Cc1cc(Cl)ccc1O ZINC000922678254 1266583089 /nfs/dbraw/zinc/58/30/89/1266583089.db2.gz XFSWZXIFYHJZQY-UHFFFAOYSA-N 1 0 339.844 2.781 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@H](OCCO)C2)c(O)c(C(C)(C)C)c1 ZINC000824769363 1278274805 /nfs/dbraw/zinc/27/48/05/1278274805.db2.gz UALCLDFDNBTZQI-OAHLLOKOSA-N 1 0 337.460 2.672 20 10 EFCDRO CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(C)ccc(C)c1O ZINC001273049014 1266785544 /nfs/dbraw/zinc/78/55/44/1266785544.db2.gz HYLOLHXCOPCYEX-QZTJIDSGSA-N 1 0 346.471 2.611 20 10 EFCDRO CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2c(C)ccc(C)c2O)C1=O ZINC001273049163 1266788093 /nfs/dbraw/zinc/78/80/93/1266788093.db2.gz ONNVVPWLGAHYLO-FOIQADDNSA-N 1 0 344.455 2.553 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000824751066 1278281733 /nfs/dbraw/zinc/28/17/33/1278281733.db2.gz RKQGVIGGWOUGDE-GOSISDBHSA-N 1 0 330.472 2.962 20 10 EFCDRO COc1ccc(O)c(CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000734065107 1266848236 /nfs/dbraw/zinc/84/82/36/1266848236.db2.gz VQHHNTPKEPXHID-OAHLLOKOSA-N 1 0 349.456 2.564 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)CC(CC)CC)cc2=O ZINC000734149269 1266881148 /nfs/dbraw/zinc/88/11/48/1266881148.db2.gz FNNIOIXOJQZRST-UHFFFAOYSA-N 1 0 348.447 2.870 20 10 EFCDRO CN(C)c1ccc(CN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C2CC2)cc1 ZINC000734285326 1266938390 /nfs/dbraw/zinc/93/83/90/1266938390.db2.gz JQHDWOYUFWMSKC-INIZCTEOSA-N 1 0 342.487 2.663 20 10 EFCDRO COC(=O)CC[N@H+](Cc1ccc(Br)cc1O)C(C)C ZINC000824807362 1278293950 /nfs/dbraw/zinc/29/39/50/1278293950.db2.gz FBSUHPURZYDBLF-UHFFFAOYSA-N 1 0 330.222 2.928 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000734661391 1267058130 /nfs/dbraw/zinc/05/81/30/1267058130.db2.gz LNAGZVGRVWXKCX-RDJZCZTQSA-N 1 0 346.519 2.981 20 10 EFCDRO CC[C@H](C(=O)NC1CCN(c2ccc(OC)cc2)CC1)[NH+](CC)CC ZINC000735808865 1267423021 /nfs/dbraw/zinc/42/30/21/1267423021.db2.gz YFDMNGGYSUCMBD-LJQANCHMSA-N 1 0 347.503 2.901 20 10 EFCDRO O=S1(=O)CCC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000735925859 1267456958 /nfs/dbraw/zinc/45/69/58/1267456958.db2.gz WPZYTIUVHDVGCW-KRWDZBQOSA-N 1 0 331.437 2.726 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CC2)cc1 ZINC001085437080 1267471639 /nfs/dbraw/zinc/47/16/39/1267471639.db2.gz PMTLJLIJCBXVEJ-HZPDHXFCSA-N 1 0 343.431 2.890 20 10 EFCDRO COc1cc(C[N@@H+]2CCSC[C@H]2CCO)c(O)c(C(C)(C)C)c1 ZINC000824919920 1278354400 /nfs/dbraw/zinc/35/44/00/1278354400.db2.gz AUYFTWMNBBSFJN-CQSZACIVSA-N 1 0 339.501 2.998 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C(=O)NCCc2ccccc2)cc1C ZINC000825035092 1278391702 /nfs/dbraw/zinc/39/17/02/1278391702.db2.gz DGJQARZBTOCHHI-INIZCTEOSA-N 1 0 326.440 2.841 20 10 EFCDRO CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)c(O)c1 ZINC000825046280 1278396424 /nfs/dbraw/zinc/39/64/24/1278396424.db2.gz RPDPSPTTYQZFLI-RDTXWAMCSA-N 1 0 331.416 2.534 20 10 EFCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)Cc2cnn(C)c2)c1O ZINC000825046246 1278396756 /nfs/dbraw/zinc/39/67/56/1278396756.db2.gz RGBZBNQWOJJYFD-NSHDSACASA-N 1 0 338.249 2.917 20 10 EFCDRO CCOc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)c(O)c1 ZINC000825046278 1278397054 /nfs/dbraw/zinc/39/70/54/1278397054.db2.gz RPDPSPTTYQZFLI-KDOFPFPSSA-N 1 0 331.416 2.534 20 10 EFCDRO CN1CC[C@H]([N@H+](C)Cc2c3c(ccc2O)oc2c3CCCC2)C1=O ZINC000738275396 1268423357 /nfs/dbraw/zinc/42/33/57/1268423357.db2.gz VQKPSQIGSVOYHD-AWEZNQCLSA-N 1 0 328.412 2.680 20 10 EFCDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163626817 1268516257 /nfs/dbraw/zinc/51/62/57/1268516257.db2.gz JPEAWEPKKZSPIY-INIZCTEOSA-N 1 0 349.544 2.976 20 10 EFCDRO C[C@@H]1CCCN(CC[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825113474 1278416593 /nfs/dbraw/zinc/41/65/93/1278416593.db2.gz DSAUSPUZUOVXGG-GFCCVEGCSA-N 1 0 327.266 2.976 20 10 EFCDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000825117692 1278417307 /nfs/dbraw/zinc/41/73/07/1278417307.db2.gz JSWPXSUTPJFCLY-OLMNPRSZSA-N 1 0 345.443 2.884 20 10 EFCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCc3c2cnn3CCO)cc1Cl ZINC000825138657 1278425871 /nfs/dbraw/zinc/42/58/71/1278425871.db2.gz SAXMXVKRDQEALO-HNNXBMFYSA-N 1 0 335.835 2.710 20 10 EFCDRO C[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)[NH+]1CCCCC1 ZINC000741081550 1269305478 /nfs/dbraw/zinc/30/54/78/1269305478.db2.gz QJRJTFOXFHXHLK-QGZVFWFLSA-N 1 0 342.487 2.736 20 10 EFCDRO COc1ccc(N2CCC(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000741139877 1269349329 /nfs/dbraw/zinc/34/93/29/1269349329.db2.gz HCDDIWAPZHYCGM-IYBDPMFKSA-N 1 0 345.487 2.653 20 10 EFCDRO Oc1ccccc1C[N@H+](CCOC[C@@H]1CCCO1)C[C@H]1CCCO1 ZINC000741248775 1269430627 /nfs/dbraw/zinc/43/06/27/1269430627.db2.gz CLKRDKCUQZIMGW-MSOLQXFVSA-N 1 0 335.444 2.569 20 10 EFCDRO O=C1CCCCN1CCC[NH2+]Cc1ccc(Br)cc1O ZINC000825247254 1278484901 /nfs/dbraw/zinc/48/49/01/1278484901.db2.gz PXGSHELVGALNNG-UHFFFAOYSA-N 1 0 341.249 2.647 20 10 EFCDRO CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000825279040 1278490403 /nfs/dbraw/zinc/49/04/03/1278490403.db2.gz LURGOBWXHIPPRE-UHFFFAOYSA-N 1 0 343.874 2.690 20 10 EFCDRO C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000700809402 1269549186 /nfs/dbraw/zinc/54/91/86/1269549186.db2.gz PIPIOACPGNTFHZ-LBPRGKRZSA-N 1 0 327.266 2.976 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)C)cc1 ZINC000741678330 1269655547 /nfs/dbraw/zinc/65/55/47/1269655547.db2.gz OOIXTKDMWFCIEE-HNNXBMFYSA-N 1 0 348.491 2.587 20 10 EFCDRO COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000825325918 1278506589 /nfs/dbraw/zinc/50/65/89/1278506589.db2.gz IDQNLEZOTRIVQO-LLVKDONJSA-N 1 0 333.359 2.989 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)cc1F ZINC000825325930 1278507081 /nfs/dbraw/zinc/50/70/81/1278507081.db2.gz IEMKRLJTHSNHMM-YOEHRIQHSA-N 1 0 332.423 2.635 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033699103 1269860120 /nfs/dbraw/zinc/86/01/20/1269860120.db2.gz KLPJNEVEVWWPTB-OAHLLOKOSA-N 1 0 331.420 2.651 20 10 EFCDRO O=C(NCc1ccccc1O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792058417 1278522372 /nfs/dbraw/zinc/52/23/72/1278522372.db2.gz UXTBOWZTZFCUHU-QGZVFWFLSA-N 1 0 339.439 2.714 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)cc1 ZINC000742391830 1270019954 /nfs/dbraw/zinc/01/99/54/1270019954.db2.gz MNLVZLCSHQKIRY-GIVPXCGWSA-N 1 0 349.478 2.999 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c1O ZINC000742374651 1270029235 /nfs/dbraw/zinc/02/92/35/1270029235.db2.gz BGFDXHIVGDKBCV-ZWNOBZJWSA-N 1 0 343.265 2.736 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccncc1 ZINC000743472070 1270597770 /nfs/dbraw/zinc/59/77/70/1270597770.db2.gz JVYLVAABKRGXAC-CRAIPNDOSA-N 1 0 338.455 2.634 20 10 EFCDRO CCC[NH+]1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000743518666 1270613067 /nfs/dbraw/zinc/61/30/67/1270613067.db2.gz OXZFBIIYYHFOLT-UHFFFAOYSA-N 1 0 345.487 2.945 20 10 EFCDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(Br)cc1O ZINC000825505111 1278574570 /nfs/dbraw/zinc/57/45/70/1278574570.db2.gz RSMBMYLCGLYVPM-AWEZNQCLSA-N 1 0 330.222 2.976 20 10 EFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)[C@H]1OC ZINC000825513115 1278578710 /nfs/dbraw/zinc/57/87/10/1278578710.db2.gz BSWJPMFKJVHCOU-LZLYRXPVSA-N 1 0 337.460 2.980 20 10 EFCDRO Cc1ccc([C@H](O)C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000743839444 1270779424 /nfs/dbraw/zinc/77/94/24/1270779424.db2.gz XIEAODHLNOAWDQ-OAQYLSRUSA-N 1 0 340.467 2.997 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CC3)C2)cc1 ZINC001086282146 1270823274 /nfs/dbraw/zinc/82/32/74/1270823274.db2.gz VUSRGKLGBAKBKY-AKAXFMLLSA-N 1 0 343.431 2.747 20 10 EFCDRO C[C@@H]1CCCN1C(=O)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000744403365 1271028336 /nfs/dbraw/zinc/02/83/36/1271028336.db2.gz YWODHLFOLOXMHW-SJLPKXTDSA-N 1 0 346.471 2.774 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]CCN2CC[C@@H](C)C2)c1O ZINC000744449958 1271050816 /nfs/dbraw/zinc/05/08/16/1271050816.db2.gz QYSQJGUVJYZDJE-LLVKDONJSA-N 1 0 343.265 2.595 20 10 EFCDRO C[NH+](C)CCOC1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792167132 1278610081 /nfs/dbraw/zinc/61/00/81/1278610081.db2.gz AUQDFSCUUKAFDG-UHFFFAOYSA-N 1 0 330.831 2.727 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000745857976 1271660054 /nfs/dbraw/zinc/66/00/54/1271660054.db2.gz MDMDKOOXQVPQSF-WBVHZDCISA-N 1 0 332.492 2.767 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC(F)(F)C2)cc1C ZINC001128941171 1271708405 /nfs/dbraw/zinc/70/84/05/1271708405.db2.gz AXEKACYSBNBTNY-CQSZACIVSA-N 1 0 326.387 2.645 20 10 EFCDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000746133571 1271808919 /nfs/dbraw/zinc/80/89/19/1271808919.db2.gz VTOGODCOXXCNGU-HOTGVXAUSA-N 1 0 347.528 2.729 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCO3)CC2)cc1C ZINC001034585066 1272299940 /nfs/dbraw/zinc/29/99/40/1272299940.db2.gz DXZYJVHETXDCBM-ZHALLVOQSA-N 1 0 346.471 2.700 20 10 EFCDRO CCOc1ccc(N2CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001169154212 1272716973 /nfs/dbraw/zinc/71/69/73/1272716973.db2.gz OHRZKLWXWLPUCL-BWTSREIZSA-N 1 0 329.488 2.833 20 10 EFCDRO CCOC(=O)[C@@H]1CC[C@H]([N@H+](CC)Cc2ccc(N(C)C)cc2)CO1 ZINC001169415311 1272901520 /nfs/dbraw/zinc/90/15/20/1272901520.db2.gz CYTXQEXOSKEKMS-ROUUACIJSA-N 1 0 334.460 2.685 20 10 EFCDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC001169446570 1272923205 /nfs/dbraw/zinc/92/32/05/1272923205.db2.gz KKNFFXIWIQNKPS-NSHDSACASA-N 1 0 343.265 2.891 20 10 EFCDRO COc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CCOC2)cc1C ZINC001169610686 1273051771 /nfs/dbraw/zinc/05/17/71/1273051771.db2.gz XPIPMNVBKMQDGG-AEFFLSMTSA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2ncoc2C)cc1C ZINC001034879849 1273141614 /nfs/dbraw/zinc/14/16/14/1273141614.db2.gz FCYGMGDUPKUOPZ-MRXNPFEDSA-N 1 0 343.427 2.694 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2cscn2)cc1C ZINC001034881485 1273145115 /nfs/dbraw/zinc/14/51/15/1273145115.db2.gz IYTQHMVNRXHBDH-OAHLLOKOSA-N 1 0 345.468 2.855 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2nccs2)cc1C ZINC001035082240 1273487559 /nfs/dbraw/zinc/48/75/59/1273487559.db2.gz BGMYRGAXIPYTEZ-OAHLLOKOSA-N 1 0 345.468 2.855 20 10 EFCDRO Cc1ccccc1NCCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000844162599 1278792250 /nfs/dbraw/zinc/79/22/50/1278792250.db2.gz JNIKKGLAWLMGTQ-GOSISDBHSA-N 1 0 340.471 2.679 20 10 EFCDRO CC[C@@H](CC(F)F)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001129131508 1273985257 /nfs/dbraw/zinc/98/52/57/1273985257.db2.gz VLBJTCJHSJSOFI-AWEZNQCLSA-N 1 0 328.403 2.891 20 10 EFCDRO CC[C@H](CC(F)F)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001129131509 1273985617 /nfs/dbraw/zinc/98/56/17/1273985617.db2.gz VLBJTCJHSJSOFI-CQSZACIVSA-N 1 0 328.403 2.891 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccc[nH]3)C[C@H]2C)cc1C ZINC001035918069 1274735420 /nfs/dbraw/zinc/73/54/20/1274735420.db2.gz FHPZNFSQDGSREM-NVXWUHKLSA-N 1 0 341.455 2.972 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cocn3)C[C@H]2C)cc1C ZINC001035955440 1274808410 /nfs/dbraw/zinc/80/84/10/1274808410.db2.gz LYTOMFBLHMXLGD-GDBMZVCRSA-N 1 0 343.427 2.632 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cocn3)C[C@@H]2C)cc1C ZINC001035955444 1274808448 /nfs/dbraw/zinc/80/84/48/1274808448.db2.gz LYTOMFBLHMXLGD-GOEBONIOSA-N 1 0 343.427 2.632 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cocn3)C[C@@H]2C)cc1C ZINC001035955447 1274808690 /nfs/dbraw/zinc/80/86/90/1274808690.db2.gz LYTOMFBLHMXLGD-HOCLYGCPSA-N 1 0 343.427 2.632 20 10 EFCDRO C[N@@H+]1CCCC[C@@H](CNCc2c(O)cccc2Br)C1 ZINC000706835088 1275041705 /nfs/dbraw/zinc/04/17/05/1275041705.db2.gz QAZKZHPFTIBUJG-LBPRGKRZSA-N 1 0 327.266 2.976 20 10 EFCDRO Oc1cccc(Br)c1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000706853934 1275053745 /nfs/dbraw/zinc/05/37/45/1275053745.db2.gz NQHVVPIFFITQCG-VXGBXAGGSA-N 1 0 325.250 2.871 20 10 EFCDRO C[C@@H](CNCc1c(O)cccc1Br)C[NH+]1CCCC1 ZINC000706874962 1275067015 /nfs/dbraw/zinc/06/70/15/1275067015.db2.gz DANAYIRZJVPUBD-LBPRGKRZSA-N 1 0 327.266 2.976 20 10 EFCDRO CC[C@H]1C[C@@H]([NH+]2CCN(c3ccc(OCCOC)cc3)CC2)CCO1 ZINC001170237837 1278922693 /nfs/dbraw/zinc/92/26/93/1278922693.db2.gz JPJPPWNOFLJWIB-OALUTQOASA-N 1 0 348.487 2.791 20 10 EFCDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cccc(O)c1O)[NH+](C)C ZINC000785857084 1275217367 /nfs/dbraw/zinc/21/73/67/1275217367.db2.gz OCWXCHNEUPBWQL-GUYCJALGSA-N 1 0 328.412 2.827 20 10 EFCDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000785986611 1275265017 /nfs/dbraw/zinc/26/50/17/1275265017.db2.gz BKCNOSCGPNVHBI-VCBZYWHSSA-N 1 0 336.451 2.644 20 10 EFCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1[NH2+]CC1CC1 ZINC001036310436 1275397350 /nfs/dbraw/zinc/39/73/50/1275397350.db2.gz XLDFVNHLUVFITH-MLGOLLRUSA-N 1 0 343.431 2.699 20 10 EFCDRO CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001036307676 1275429425 /nfs/dbraw/zinc/42/94/25/1275429425.db2.gz OZAMUGNBBRZZOP-SWLSCSKDSA-N 1 0 331.420 2.699 20 10 EFCDRO CC(C)O[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000844380758 1278956598 /nfs/dbraw/zinc/95/65/98/1278956598.db2.gz YTRCVHAVUAETSJ-LJQANCHMSA-N 1 0 347.503 2.600 20 10 EFCDRO CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001036470386 1275713709 /nfs/dbraw/zinc/71/37/09/1275713709.db2.gz DMMBSYODWRFRGE-GXTWGEPZSA-N 1 0 331.420 2.699 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1F ZINC000787425319 1275772701 /nfs/dbraw/zinc/77/27/01/1275772701.db2.gz VDFLCEKKHBSILN-MPGHIAIKSA-N 1 0 333.451 2.758 20 10 EFCDRO COc1cc(O)c(C[NH2+]C[C@H](c2ccnn2C)C(C)C)cc1OC ZINC000788267785 1276123129 /nfs/dbraw/zinc/12/31/29/1276123129.db2.gz SCOWVZOIVUSZLJ-AWEZNQCLSA-N 1 0 333.432 2.672 20 10 EFCDRO CC(C)OCC[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000788274458 1276124574 /nfs/dbraw/zinc/12/45/74/1276124574.db2.gz HODWHAUVXCLENQ-MSOLQXFVSA-N 1 0 337.460 2.549 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@H+](C)[C@H](C)CN3CCOCC3)c2c1 ZINC000788376645 1276156428 /nfs/dbraw/zinc/15/64/28/1276156428.db2.gz ARRYXWJOLIFWBP-OAHLLOKOSA-N 1 0 344.455 2.707 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@H]3CC=C(C)CC3)CC2)cc1 ZINC000788572016 1276228944 /nfs/dbraw/zinc/22/89/44/1276228944.db2.gz KZZSWKMLROIHRD-SFHVURJKSA-N 1 0 329.488 2.906 20 10 EFCDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(Br)c2[O-])C[C@@H]1C[NH3+] ZINC000817865966 1276351551 /nfs/dbraw/zinc/35/15/51/1276351551.db2.gz QFIFCUJNBDUJDO-MDZLAQPJSA-N 1 0 327.266 2.960 20 10 EFCDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(Br)c2[O-])C[C@H]1C[NH3+] ZINC000817865967 1276351842 /nfs/dbraw/zinc/35/18/42/1276351842.db2.gz QFIFCUJNBDUJDO-NQBHXWOUSA-N 1 0 327.266 2.960 20 10 EFCDRO C[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000817899347 1276366757 /nfs/dbraw/zinc/36/67/57/1276366757.db2.gz LGTFGNCGIQXQDH-ZQIUZPCESA-N 1 0 339.430 2.987 20 10 EFCDRO CC1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)cc2)CC1 ZINC000817902798 1276367619 /nfs/dbraw/zinc/36/76/19/1276367619.db2.gz YGGCKHFSJIXVML-RTWAWAEBSA-N 1 0 343.515 2.780 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3cnccc3N)CC2)cc1 ZINC000817903990 1276368720 /nfs/dbraw/zinc/36/87/20/1276368720.db2.gz ZKBIBCPTEZCMAR-AWEZNQCLSA-N 1 0 326.444 2.822 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817941552 1276386834 /nfs/dbraw/zinc/38/68/34/1276386834.db2.gz KNALQTXBPLNLEI-SCLBCKFNSA-N 1 0 329.444 2.817 20 10 EFCDRO CC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817944574 1276389990 /nfs/dbraw/zinc/38/99/90/1276389990.db2.gz HCCGZRMLJNHHHE-AWEZNQCLSA-N 1 0 332.275 2.645 20 10 EFCDRO Cc1ccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)cn2)c(O)c1C ZINC000817951137 1276396020 /nfs/dbraw/zinc/39/60/20/1276396020.db2.gz BWNIIQMYGFDHAF-OAHLLOKOSA-N 1 0 326.444 2.987 20 10 EFCDRO C[C@@H]1C[C@@H](Nc2ccc(N3CC[NH2+]CC3)cn2)c2c1c(F)ccc2O ZINC000817951827 1276396372 /nfs/dbraw/zinc/39/63/72/1276396372.db2.gz HMMTYKWVIAXQDO-IUODEOHRSA-N 1 0 342.418 2.996 20 10 EFCDRO CC[C@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc(F)cc1O ZINC000817951307 1276396733 /nfs/dbraw/zinc/39/67/33/1276396733.db2.gz CYRBSYXXMPOFJW-INIZCTEOSA-N 1 0 330.407 2.899 20 10 EFCDRO C[C@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc(F)cc(F)c1O ZINC000817953110 1276397258 /nfs/dbraw/zinc/39/72/58/1276397258.db2.gz NEYFZCZUAVXHIO-NSHDSACASA-N 1 0 334.370 2.648 20 10 EFCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000817955740 1276397335 /nfs/dbraw/zinc/39/73/35/1276397335.db2.gz GRHYYEXINCEAPC-GFCCVEGCSA-N 1 0 336.432 2.705 20 10 EFCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000817956106 1276397348 /nfs/dbraw/zinc/39/73/48/1276397348.db2.gz QVZVLJYCSBQAQY-DYESRHJHSA-N 1 0 339.483 2.863 20 10 EFCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000817956108 1276397376 /nfs/dbraw/zinc/39/73/76/1276397376.db2.gz QVZVLJYCSBQAQY-UTKZUKDTSA-N 1 0 339.483 2.863 20 10 EFCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000817956007 1276397964 /nfs/dbraw/zinc/39/79/64/1276397964.db2.gz NILBQSHSMXFGDU-ZDUSSCGKSA-N 1 0 333.457 2.534 20 10 EFCDRO COC[C@@]1(CN[C@@H](C)c2ccc(Br)cc2O)CCC[NH2+]1 ZINC000817975190 1276416289 /nfs/dbraw/zinc/41/62/89/1276416289.db2.gz RMMRIXJIMHZMMQ-NHYWBVRUSA-N 1 0 343.265 2.574 20 10 EFCDRO COC[C@@]1(CN[C@H](C)c2cc(Br)ccc2O)CCC[NH2+]1 ZINC000817975532 1276416302 /nfs/dbraw/zinc/41/63/02/1276416302.db2.gz WGATVGFYXVDAIO-ABAIWWIYSA-N 1 0 343.265 2.574 20 10 EFCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CNCCO1 ZINC000817983063 1276420969 /nfs/dbraw/zinc/42/09/69/1276420969.db2.gz JTDQRJCTFJUWBA-PKOBYXMFSA-N 1 0 326.440 2.644 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H](N)c2c(F)cccc2F)cc1 ZINC000817993645 1276432885 /nfs/dbraw/zinc/43/28/85/1276432885.db2.gz OFWZELQXCHBYGX-KRWDZBQOSA-N 1 0 333.382 2.689 20 10 EFCDRO Cc1cc(C(=O)N2CCCO[C@H](C[NH3+])C2)c(C)n1-c1ccccc1C ZINC000818012558 1276451747 /nfs/dbraw/zinc/45/17/47/1276451747.db2.gz OLVDWLQYLFIILQ-QGZVFWFLSA-N 1 0 341.455 2.592 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3cscn3)C2)cc1C ZINC001090955223 1279036590 /nfs/dbraw/zinc/03/65/90/1279036590.db2.gz WIXAAYAXTNUGCV-UHFFFAOYSA-N 1 0 345.468 2.758 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ncc(Cl)n3C)C2)cc1 ZINC000818221512 1276493291 /nfs/dbraw/zinc/49/32/91/1276493291.db2.gz NMOPLRVQSJYAPA-CYBMUJFWSA-N 1 0 334.851 2.698 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CCNC(=O)CCCc2ccccc2)cc1 ZINC000818226068 1276494540 /nfs/dbraw/zinc/49/45/40/1276494540.db2.gz YNQJCTWVVJSZDT-UHFFFAOYSA-N 1 0 339.483 2.981 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CCC(NC(C)=O)CC3)C2)cc1 ZINC000818342473 1276511195 /nfs/dbraw/zinc/51/11/95/1276511195.db2.gz RDUULVAOKCZIPH-AOCRQIFASA-N 1 0 345.487 2.558 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cn(C)nc3C)C2)cc1 ZINC000818345252 1276511337 /nfs/dbraw/zinc/51/13/37/1276511337.db2.gz SNHFQPGUCNGLSA-HOCLYGCPSA-N 1 0 328.460 2.914 20 10 EFCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818344634 1276512845 /nfs/dbraw/zinc/51/28/45/1276512845.db2.gz PMVKJURQMDFOJR-IAGOWNOFSA-N 1 0 347.503 2.758 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCc4c3cnn4C)C2)cc1 ZINC000818345458 1276513029 /nfs/dbraw/zinc/51/30/29/1276513029.db2.gz UVWWLYBFCXAIOR-BEFAXECRSA-N 1 0 340.471 2.922 20 10 EFCDRO Cc1cc(C[NH3+])cc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000818634646 1276542507 /nfs/dbraw/zinc/54/25/07/1276542507.db2.gz PANXAYWMMRJPCI-UHFFFAOYSA-N 1 0 330.407 2.981 20 10 EFCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCSCC2)cc1)C(F)(F)F ZINC000818963852 1276552340 /nfs/dbraw/zinc/55/23/40/1276552340.db2.gz CEMSSADIBHARJC-CQSZACIVSA-N 1 0 334.407 2.643 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)cc1 ZINC000818941471 1276553748 /nfs/dbraw/zinc/55/37/48/1276553748.db2.gz KBMMXJKQSDRAIE-QGZVFWFLSA-N 1 0 339.439 2.763 20 10 EFCDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000818941971 1276554270 /nfs/dbraw/zinc/55/42/70/1276554270.db2.gz VFLVHNPURGIDRU-IBGZPJMESA-N 1 0 328.456 2.899 20 10 EFCDRO CN1CCCc2cc(C[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000818984717 1276563435 /nfs/dbraw/zinc/56/34/35/1276563435.db2.gz DWHIUCNVNAWQOP-LJQANCHMSA-N 1 0 341.411 2.800 20 10 EFCDRO CN1CCCc2cc(C[NH2+]C[C@@H](O)COCc3ccccc3)ccc21 ZINC000818984749 1276563763 /nfs/dbraw/zinc/56/37/63/1276563763.db2.gz FYYMGWOGLSFMGB-HXUWFJFHSA-N 1 0 340.467 2.736 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000818985463 1276563822 /nfs/dbraw/zinc/56/38/22/1276563822.db2.gz UGSRESOQUGQEMF-QGZVFWFLSA-N 1 0 333.363 2.623 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)COc1cccc2[nH]ccc21 ZINC000818997069 1276566962 /nfs/dbraw/zinc/56/69/62/1276566962.db2.gz RBIUZVFOXWMCNZ-INIZCTEOSA-N 1 0 338.407 2.632 20 10 EFCDRO CCOC(=O)CC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000819040261 1276576904 /nfs/dbraw/zinc/57/69/04/1276576904.db2.gz YAVPEEBBRFPJOI-LJQANCHMSA-N 1 0 348.487 2.717 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)COCc1ccccc1 ZINC000819094799 1276603661 /nfs/dbraw/zinc/60/36/61/1276603661.db2.gz MOKCNLMDIQBEKH-OAQYLSRUSA-N 1 0 338.451 2.730 20 10 EFCDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCSc2nccs2)cc1 ZINC000819062508 1276612007 /nfs/dbraw/zinc/61/20/07/1276612007.db2.gz FENNKRSKYVAJFM-ZDUSSCGKSA-N 1 0 339.442 2.857 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)COCc1ccccc1 ZINC000819076890 1276621186 /nfs/dbraw/zinc/62/11/86/1276621186.db2.gz GURSAACSEAPFPR-FQEVSTJZSA-N 1 0 328.456 2.728 20 10 EFCDRO CSc1ccc([C@@H](CNC(=O)c2cccc(O)c2O)[NH+](C)C)cc1 ZINC000819334579 1276733032 /nfs/dbraw/zinc/73/30/32/1276733032.db2.gz BILVDVCENSPDEH-OAHLLOKOSA-N 1 0 346.452 2.852 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)c3ccc(F)cc3)C2)cc1 ZINC000819379317 1276764016 /nfs/dbraw/zinc/76/40/16/1276764016.db2.gz FOWPONAGXOREGQ-MGPUTAFESA-N 1 0 344.430 2.984 20 10 EFCDRO CC[C@H](C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)[NH+](CC)CC ZINC000819584045 1276826275 /nfs/dbraw/zinc/82/62/75/1276826275.db2.gz CNZBJQGOHGPKOL-QFBILLFUSA-N 1 0 347.503 2.758 20 10 EFCDRO CC[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)[NH+](CC)CC ZINC000819584043 1276827966 /nfs/dbraw/zinc/82/79/66/1276827966.db2.gz CNZBJQGOHGPKOL-LPHOPBHVSA-N 1 0 347.503 2.758 20 10 EFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NOC1CC[NH+](C)CC1 ZINC000819692367 1276900079 /nfs/dbraw/zinc/90/00/79/1276900079.db2.gz OPBCTKWURIXWRK-UHFFFAOYSA-N 1 0 333.457 2.911 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@H]1C1CCOCC1)[C@H](O)CO2 ZINC000819902063 1276941383 /nfs/dbraw/zinc/94/13/83/1276941383.db2.gz MQLRRISYBNGKQA-IEBWSBKVSA-N 1 0 345.439 2.599 20 10 EFCDRO COC(=O)CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)C[C@@H]1CCCO1 ZINC000815048062 1287268001 /nfs/dbraw/zinc/26/80/01/1287268001.db2.gz HBBACHYPPXIULA-KRWDZBQOSA-N 1 0 334.460 2.605 20 10 EFCDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cccc(O)c2O)C1 ZINC000790570247 1277653078 /nfs/dbraw/zinc/65/30/78/1277653078.db2.gz KQBKBHKCXPBOKG-UKRRQHHQSA-N 1 0 326.396 2.663 20 10 EFCDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000790934281 1277853441 /nfs/dbraw/zinc/85/34/41/1277853441.db2.gz JRDRAWFREORANH-WBVHZDCISA-N 1 0 336.451 2.788 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)C(F)(F)F)ccc1N1CCCCC1 ZINC000790999259 1277898437 /nfs/dbraw/zinc/89/84/37/1277898437.db2.gz CRTWAGDQYGAVLZ-CQSZACIVSA-N 1 0 347.337 2.598 20 10 EFCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(N(C)C)c(C)c3)[C@@H]2C1 ZINC000815119657 1287314460 /nfs/dbraw/zinc/31/44/60/1287314460.db2.gz CHOXQAFQSGUUQD-OTWHNJEPSA-N 1 0 329.488 2.798 20 10 EFCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844518068 1279069033 /nfs/dbraw/zinc/06/90/33/1279069033.db2.gz GPBZMVPIEWJZFV-LBPRGKRZSA-N 1 0 325.840 2.577 20 10 EFCDRO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)ccc1N(C)C ZINC000815100413 1287325367 /nfs/dbraw/zinc/32/53/67/1287325367.db2.gz NZEYJHPLOXACTR-QUCCMNQESA-N 1 0 331.504 2.794 20 10 EFCDRO COc1cc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(C)C)cc(OC)n1 ZINC001134870879 1287325903 /nfs/dbraw/zinc/32/59/03/1287325903.db2.gz BHSLFSRKMUKZQC-UONOGXRCSA-N 1 0 337.464 2.631 20 10 EFCDRO CO[C@@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C[C@@H]1OC ZINC000792708859 1279129293 /nfs/dbraw/zinc/12/92/93/1279129293.db2.gz ATKFUXCCNYYANY-HDICACEKSA-N 1 0 331.412 2.863 20 10 EFCDRO COc1cc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC=C(C)C)cc(OC)n1 ZINC001134873308 1287328614 /nfs/dbraw/zinc/32/86/14/1287328614.db2.gz VUHPZKZAMSXKEC-ZIAGYGMSSA-N 1 0 335.448 2.552 20 10 EFCDRO COc1cc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC=C(C)C)cc(OC)n1 ZINC001134873305 1287328703 /nfs/dbraw/zinc/32/87/03/1287328703.db2.gz VUHPZKZAMSXKEC-KBPBESRZSA-N 1 0 335.448 2.552 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]C[C@H](OC)C2CC2)c1O ZINC000815152958 1287331010 /nfs/dbraw/zinc/33/10/10/1287331010.db2.gz BWYFBUZAKYXDGG-ZDUSSCGKSA-N 1 0 330.222 2.678 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CCOC[C@@H]2CCOC2)c(C(F)(F)F)c1 ZINC000792957493 1279304784 /nfs/dbraw/zinc/30/47/84/1279304784.db2.gz WTEWONQXBRFQEO-CYBMUJFWSA-N 1 0 346.393 2.914 20 10 EFCDRO CC(C)[NH+]1CCC(NC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000844853711 1279311681 /nfs/dbraw/zinc/31/16/81/1279311681.db2.gz CIKBSZWCMRVPND-UHFFFAOYSA-N 1 0 325.840 2.718 20 10 EFCDRO COCCOC[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792994497 1279319075 /nfs/dbraw/zinc/31/90/75/1279319075.db2.gz FVBHFDOIKNKMKT-GFCCVEGCSA-N 1 0 334.382 2.913 20 10 EFCDRO CSC[C@H](CCO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792993941 1279320348 /nfs/dbraw/zinc/32/03/48/1279320348.db2.gz YXEOXQFXSGRTII-LBPRGKRZSA-N 1 0 336.423 2.975 20 10 EFCDRO C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)C[NH+]1CCCCC1 ZINC000844902577 1279324187 /nfs/dbraw/zinc/32/41/87/1279324187.db2.gz RGYUVPVWLHMWQW-ZDUSSCGKSA-N 1 0 339.867 2.967 20 10 EFCDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)C1 ZINC000844901889 1279324766 /nfs/dbraw/zinc/32/47/66/1279324766.db2.gz IELBGFCHKBORAF-PEYYIBSZSA-N 1 0 342.842 2.903 20 10 EFCDRO [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC000844903083 1279325143 /nfs/dbraw/zinc/32/51/43/1279325143.db2.gz RJLMNAQLTVDQPJ-NHYWBVRUSA-N 1 0 325.796 2.515 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@]2(O)CCSC2)c(C(F)(F)F)c1 ZINC000793007592 1279325524 /nfs/dbraw/zinc/32/55/24/1279325524.db2.gz DUPGBAFQAKERFA-CQSZACIVSA-N 1 0 334.407 2.729 20 10 EFCDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)C1 ZINC000844901890 1279325502 /nfs/dbraw/zinc/32/55/02/1279325502.db2.gz IELBGFCHKBORAF-SGIREYDYSA-N 1 0 342.842 2.903 20 10 EFCDRO C[C@H](CNC(=O)NCc1cc(Cl)ccc1O)[NH+]1CCCCC1 ZINC000844908710 1279326803 /nfs/dbraw/zinc/32/68/03/1279326803.db2.gz XJNYRUOFNMNZEM-GFCCVEGCSA-N 1 0 325.840 2.719 20 10 EFCDRO C[C@@H]1COCCN1CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793045032 1279340778 /nfs/dbraw/zinc/34/07/78/1279340778.db2.gz KRRABWBCERGVMJ-CYBMUJFWSA-N 1 0 345.409 2.582 20 10 EFCDRO CO[C@@]1(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCOC1 ZINC000793083143 1279362891 /nfs/dbraw/zinc/36/28/91/1279362891.db2.gz ZBRMCSQBNJRDNI-OAHLLOKOSA-N 1 0 332.366 2.667 20 10 EFCDRO C[N@H+](CCNC(=O)NCc1cc(Cl)ccc1O)C1CCCC1 ZINC000844951975 1279373425 /nfs/dbraw/zinc/37/34/25/1279373425.db2.gz BWSHTLZIPVTCOL-UHFFFAOYSA-N 1 0 325.840 2.719 20 10 EFCDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844953110 1279375447 /nfs/dbraw/zinc/37/54/47/1279375447.db2.gz JYGSHGCPMHWCOS-ZDUSSCGKSA-N 1 0 339.867 2.965 20 10 EFCDRO CC(=O)Oc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1OC(C)=O ZINC001144287646 1279390339 /nfs/dbraw/zinc/39/03/39/1279390339.db2.gz TTWXHTPUNZAYJC-UHFFFAOYSA-N 1 0 343.379 2.875 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845037912 1279407018 /nfs/dbraw/zinc/40/70/18/1279407018.db2.gz NRFZWTSVAXZQSG-ZDUSSCGKSA-N 1 0 339.867 2.823 20 10 EFCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(C)c2O)s1 ZINC000793207928 1279466771 /nfs/dbraw/zinc/46/67/71/1279466771.db2.gz UXOOTJYNQGPRTJ-UHFFFAOYSA-N 1 0 325.455 2.846 20 10 EFCDRO COc1cccc(O)c1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000793243215 1279471327 /nfs/dbraw/zinc/47/13/27/1279471327.db2.gz VQJHNOMDLOCJKB-HDICACEKSA-N 1 0 338.451 2.965 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)c(O)c1 ZINC000793387227 1279613755 /nfs/dbraw/zinc/61/37/55/1279613755.db2.gz AWXSALYORJZKOQ-UHFFFAOYSA-N 1 0 334.460 2.918 20 10 EFCDRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)cc2O)C1 ZINC000793388573 1279616833 /nfs/dbraw/zinc/61/68/33/1279616833.db2.gz PSJFSBFGKOJVLD-STQMWFEESA-N 1 0 343.370 2.858 20 10 EFCDRO CC[C@@H]1C[C@@H](C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)CCO1 ZINC001170432375 1279670194 /nfs/dbraw/zinc/67/01/94/1279670194.db2.gz SHELWVGHJLBTEJ-ZWKOTPCHSA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCC3(C)C)CC2)cc1 ZINC000793519980 1279714342 /nfs/dbraw/zinc/71/43/42/1279714342.db2.gz SDUJWHWHNZGYEY-LJQANCHMSA-N 1 0 331.504 2.986 20 10 EFCDRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n(C)n1 ZINC000793524730 1279716654 /nfs/dbraw/zinc/71/66/54/1279716654.db2.gz HPKXVWWNEQWXAT-HOTGVXAUSA-N 1 0 328.460 2.977 20 10 EFCDRO Fc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)ccc1N1CCOCC1 ZINC000793608971 1279753740 /nfs/dbraw/zinc/75/37/40/1279753740.db2.gz MFHQGICPIDBYRR-MOPGFXCFSA-N 1 0 334.435 2.806 20 10 EFCDRO C[C@H](O)CN1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)[C@@H](C)C1 ZINC000793589819 1279759468 /nfs/dbraw/zinc/75/94/68/1279759468.db2.gz MMUOLGOWOGAOLX-IRXDYDNUSA-N 1 0 340.467 2.946 20 10 EFCDRO COC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2c(O)cc(O)cc2O)cc1 ZINC001144520382 1279763200 /nfs/dbraw/zinc/76/32/00/1279763200.db2.gz NUPCELKKOBFWCF-INIZCTEOSA-N 1 0 343.379 2.927 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCN(c3ccccc3Cl)CC2)c(O)c1 ZINC001144514839 1279773828 /nfs/dbraw/zinc/77/38/28/1279773828.db2.gz UPPIUCWMWBAMHU-UHFFFAOYSA-N 1 0 334.803 2.779 20 10 EFCDRO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1c(O)cc(O)cc1O)C2 ZINC001144515313 1279775736 /nfs/dbraw/zinc/77/57/36/1279775736.db2.gz JPGZYOOSFVTZRZ-GFCCVEGCSA-N 1 0 345.395 2.592 20 10 EFCDRO Cc1cccnc1O[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144516188 1279777327 /nfs/dbraw/zinc/77/73/27/1279777327.db2.gz SKZBHTAVWHLJBL-CQSZACIVSA-N 1 0 330.384 2.550 20 10 EFCDRO C[N@H+](Cc1c(O)cc(O)cc1O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001144516194 1279778214 /nfs/dbraw/zinc/77/82/14/1279778214.db2.gz SRCFAFKYXDVDGR-INIZCTEOSA-N 1 0 342.439 2.900 20 10 EFCDRO C[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCN1Cc1ccccc1 ZINC001144515601 1279778301 /nfs/dbraw/zinc/77/83/01/1279778301.db2.gz SBAKWTUVPUUNSW-AWEZNQCLSA-N 1 0 328.412 2.510 20 10 EFCDRO CN1CCCc2cc(C[NH2+]Cc3cnnn3-c3ccccc3)ccc21 ZINC000845927056 1279938185 /nfs/dbraw/zinc/93/81/85/1279938185.db2.gz CEPUVYBSHHAJAR-UHFFFAOYSA-N 1 0 333.439 2.940 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(c3cnccn3)CC2)c1 ZINC000845972264 1279949702 /nfs/dbraw/zinc/94/97/02/1279949702.db2.gz QBZSSYHFSNVMBR-ZDUSSCGKSA-N 1 0 328.416 2.510 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)c1O ZINC000846150856 1280038514 /nfs/dbraw/zinc/03/85/14/1280038514.db2.gz RRNOTSFFVXTEAC-QWHCGFSZSA-N 1 0 331.391 2.864 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]CCCNC(=O)c2occc2C)c1O ZINC000846156901 1280041064 /nfs/dbraw/zinc/04/10/64/1280041064.db2.gz ZHBQSQHNXJUVKB-CYBMUJFWSA-N 1 0 332.400 2.773 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1O ZINC000846163198 1280044055 /nfs/dbraw/zinc/04/40/55/1280044055.db2.gz GIFQYJBPLDFWCG-JTQLQIEISA-N 1 0 341.454 2.717 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1O ZINC000846166805 1280044442 /nfs/dbraw/zinc/04/44/42/1280044442.db2.gz CWENBQMDNYBRHV-SUNYJGFJSA-N 1 0 335.444 2.619 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]Cc2cc(C)nc(N3CCCC3)n2)c1O ZINC000846169588 1280046555 /nfs/dbraw/zinc/04/65/55/1280046555.db2.gz ICUVFLSSQXTGEI-AWEZNQCLSA-N 1 0 342.443 2.950 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)c1O ZINC000846170398 1280046923 /nfs/dbraw/zinc/04/69/23/1280046923.db2.gz KKAHSUJGFFIILW-ZFZWDLNGSA-N 1 0 332.444 2.698 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1O ZINC000846171707 1280047920 /nfs/dbraw/zinc/04/79/20/1280047920.db2.gz VUAUNSXBHAWJEC-UYHMYPTGSA-N 1 0 348.443 2.917 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000846136124 1280049538 /nfs/dbraw/zinc/04/95/38/1280049538.db2.gz IOYNUENTBLRDOK-ZNMIVQPWSA-N 1 0 336.476 2.939 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)COc2cccc(F)c2)c1O ZINC000846141910 1280050014 /nfs/dbraw/zinc/05/00/14/1280050014.db2.gz BPMBPYYERWQFHN-OCCSQVGLSA-N 1 0 335.375 2.630 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)COc2cccc(C)c2)c1O ZINC000846143141 1280052113 /nfs/dbraw/zinc/05/21/13/1280052113.db2.gz HZPUTTIQBQURSA-LSDHHAIUSA-N 1 0 331.412 2.800 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(=O)n3ccccc3n2)c2c1c(F)ccc2O ZINC000846212711 1280084662 /nfs/dbraw/zinc/08/46/62/1280084662.db2.gz FNFBWBNXLLLFFW-BXUZGUMPSA-N 1 0 339.370 2.877 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(F)c(F)c2)cc1C ZINC001129488887 1280223431 /nfs/dbraw/zinc/22/34/31/1280223431.db2.gz VLVREMCQIZKMLZ-UHFFFAOYSA-N 1 0 334.366 2.801 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@H]3CC34CC4)C2)cc1C ZINC001091256719 1280225400 /nfs/dbraw/zinc/22/54/00/1280225400.db2.gz VRKFSLUSXCLDRC-OFLPRAFFSA-N 1 0 328.456 2.788 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3oncc3C)C2)cc1C ZINC001091308733 1280333898 /nfs/dbraw/zinc/33/38/98/1280333898.db2.gz QRROMPSJBTZFGB-UHFFFAOYSA-N 1 0 343.427 2.598 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3nocc3C)C2)cc1C ZINC001091313874 1280345180 /nfs/dbraw/zinc/34/51/80/1280345180.db2.gz HKDZGJVOPKJEAJ-UHFFFAOYSA-N 1 0 343.427 2.598 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc3c2ccn3C)cc1 ZINC000846664397 1280379921 /nfs/dbraw/zinc/37/99/21/1280379921.db2.gz ZSSSEBXSUWOCQL-GOSISDBHSA-N 1 0 336.439 2.674 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000846663800 1280380778 /nfs/dbraw/zinc/38/07/78/1280380778.db2.gz OOMRNPAXTPAMFU-GOSISDBHSA-N 1 0 336.439 2.593 20 10 EFCDRO COc1ccc(N(C)CCN(C)C(=O)c2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000846696755 1280429312 /nfs/dbraw/zinc/42/93/12/1280429312.db2.gz HNMUIXFYZHNJFE-HNNXBMFYSA-N 1 0 341.455 2.923 20 10 EFCDRO CC1(C)C[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CCO1 ZINC000872077480 1287421559 /nfs/dbraw/zinc/42/15/59/1287421559.db2.gz JERSGCKNONYJMU-CQSZACIVSA-N 1 0 340.414 2.849 20 10 EFCDRO C[C@@H]([NH2+]CCCc1cncn1C)c1ccc(N2CCOCC2)cc1 ZINC000846845439 1280571676 /nfs/dbraw/zinc/57/16/76/1280571676.db2.gz OJOOAYJHFCWNTK-MRXNPFEDSA-N 1 0 328.460 2.540 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc2nonc2c1)c1ccc(N2CCOCC2)cc1 ZINC000846846923 1280574248 /nfs/dbraw/zinc/57/42/48/1280574248.db2.gz YVMGWZIEGNMRKH-AWEZNQCLSA-N 1 0 338.411 2.910 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCn2ccc(C(F)(F)F)n2)c1 ZINC000872108990 1287431596 /nfs/dbraw/zinc/43/15/96/1287431596.db2.gz FXMVFEJJIPJCTD-JTQLQIEISA-N 1 0 329.322 2.967 20 10 EFCDRO Cc1cc(C[NH+]2CCC(N3CCOC[C@H]3C)CC2)ccc1N(C)C ZINC000846915735 1280638999 /nfs/dbraw/zinc/63/89/99/1280638999.db2.gz AZUZCUXPUDADCX-QGZVFWFLSA-N 1 0 331.504 2.746 20 10 EFCDRO Cc1cnc(OC2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)nc1 ZINC000847028079 1280712530 /nfs/dbraw/zinc/71/25/30/1280712530.db2.gz QXTSBIFEDWYNAF-UHFFFAOYSA-N 1 0 326.444 2.894 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCCO3)C2)cc1C ZINC001086638927 1280933969 /nfs/dbraw/zinc/93/39/69/1280933969.db2.gz SAWVVBNPLAELIA-YQVWRLOYSA-N 1 0 346.471 2.557 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000103598544 1280967052 /nfs/dbraw/zinc/96/70/52/1280967052.db2.gz AFCYDNOSHPCRNQ-OAHLLOKOSA-N 1 0 349.475 2.883 20 10 EFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CC[C@H]3C3CC3)cc2)C1 ZINC000806130816 1280986063 /nfs/dbraw/zinc/98/60/63/1280986063.db2.gz DLOZGERSCUSIJG-NZSAHSFTSA-N 1 0 327.472 2.667 20 10 EFCDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCc1ccccc1O)c1ccco1 ZINC000806645042 1281121439 /nfs/dbraw/zinc/12/14/39/1281121439.db2.gz RGVNURNGRCOZOE-HIFRSBDPSA-N 1 0 331.416 2.914 20 10 EFCDRO CNC(=O)[C@H](CCSC)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000806663921 1281129560 /nfs/dbraw/zinc/12/95/60/1281129560.db2.gz XDVLBYFUGPXAKM-ZMLRMANQSA-N 1 0 326.437 2.537 20 10 EFCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807141893 1281224732 /nfs/dbraw/zinc/22/47/32/1281224732.db2.gz WXQULWSXLHTBIR-QAPCUYQASA-N 1 0 332.492 2.987 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)Cc2ccc(C)cc2)cc1C ZINC001130978795 1281343722 /nfs/dbraw/zinc/34/37/22/1281343722.db2.gz YQQJSOGTNWGPBR-UHFFFAOYSA-N 1 0 326.440 2.761 20 10 EFCDRO C[C@@H](C[NH+](C)C)NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000807577478 1281355742 /nfs/dbraw/zinc/35/57/42/1281355742.db2.gz TYCXFJIDIUDSCO-AWEZNQCLSA-N 1 0 331.416 2.647 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000103608297 1281363471 /nfs/dbraw/zinc/36/34/71/1281363471.db2.gz NOAYOIKFNMLNLJ-LSDHHAIUSA-N 1 0 349.475 2.883 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000103611660 1281405396 /nfs/dbraw/zinc/40/53/96/1281405396.db2.gz NUUYCAIXBSZIOL-HUUCEWRRSA-N 1 0 349.475 2.881 20 10 EFCDRO CCC[N@@H+]1CCc2c(N)sc(NC(=O)c3cccc(O)c3O)c2C1 ZINC001148211983 1281454162 /nfs/dbraw/zinc/45/41/62/1281454162.db2.gz GHVTYPWJOKBHQK-UHFFFAOYSA-N 1 0 347.440 2.762 20 10 EFCDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000808218516 1281595028 /nfs/dbraw/zinc/59/50/28/1281595028.db2.gz SSUUVOVFADSIMF-HNNXBMFYSA-N 1 0 327.428 2.679 20 10 EFCDRO COc1cccc(O)c1C[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000808436865 1281710749 /nfs/dbraw/zinc/71/07/49/1281710749.db2.gz SJIIOULHNDAMBG-CQSZACIVSA-N 1 0 344.411 2.501 20 10 EFCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(N(C)C)c(F)c3)[C@H]2C1 ZINC000808445220 1281714017 /nfs/dbraw/zinc/71/40/17/1281714017.db2.gz BKXXSBUCXVHSHH-BQFCYCMXSA-N 1 0 333.451 2.628 20 10 EFCDRO CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)c(O)c1 ZINC000808448206 1281715525 /nfs/dbraw/zinc/71/55/25/1281715525.db2.gz ZLENQGJKIUOKGB-RYQLBKOJSA-N 1 0 332.444 2.528 20 10 EFCDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)ccn1 ZINC000808432535 1281726996 /nfs/dbraw/zinc/72/69/96/1281726996.db2.gz PSRPYVVFCIFHJK-AWEZNQCLSA-N 1 0 345.418 2.917 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(C)c(C)n2)cc1C ZINC001131382456 1281800743 /nfs/dbraw/zinc/80/07/43/1281800743.db2.gz MBKSZPBCMZFFKU-UHFFFAOYSA-N 1 0 327.428 2.535 20 10 EFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCN2CCC(O)CC2)c1O ZINC000808679828 1281840195 /nfs/dbraw/zinc/84/01/95/1281840195.db2.gz BMGTWLUVEGHHDO-ZDUSSCGKSA-N 1 0 326.868 2.851 20 10 EFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)c1O ZINC000808685541 1281844088 /nfs/dbraw/zinc/84/40/88/1281844088.db2.gz SWKJDEKFNALQKD-LLVKDONJSA-N 1 0 348.896 2.723 20 10 EFCDRO CCCCCCOCC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001149032316 1281844419 /nfs/dbraw/zinc/84/44/19/1281844419.db2.gz MQDVXSCVGMYZFO-UHFFFAOYSA-N 1 0 336.476 2.806 20 10 EFCDRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808676225 1281859592 /nfs/dbraw/zinc/85/95/92/1281859592.db2.gz HYYVCKSATDIGDP-GFCCVEGCSA-N 1 0 348.896 2.676 20 10 EFCDRO CCN(CCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)S(C)(=O)=O ZINC000808678041 1281862377 /nfs/dbraw/zinc/86/23/77/1281862377.db2.gz IXRJBBNHJJBBNL-LBPRGKRZSA-N 1 0 348.896 2.676 20 10 EFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)c1O ZINC000808710307 1281868164 /nfs/dbraw/zinc/86/81/64/1281868164.db2.gz OYZNNMCEJBOHNS-LNSITVRQSA-N 1 0 340.851 2.640 20 10 EFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCCCS2(=O)=O)c1O ZINC000808713092 1281869244 /nfs/dbraw/zinc/86/92/44/1281869244.db2.gz KFQYQUOYWVMAKG-AAEUAGOBSA-N 1 0 331.865 2.972 20 10 EFCDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808712763 1281869489 /nfs/dbraw/zinc/86/94/89/1281869489.db2.gz BFSUSTWERLVXMT-APHBMKBZSA-N 1 0 343.851 2.825 20 10 EFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CCCCS2(=O)=O)c1O ZINC000808713096 1281869685 /nfs/dbraw/zinc/86/96/85/1281869685.db2.gz KFQYQUOYWVMAKG-YPMHNXCESA-N 1 0 331.865 2.972 20 10 EFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1O ZINC000808719615 1281872589 /nfs/dbraw/zinc/87/25/89/1281872589.db2.gz WSROIBRBUVLDMG-VXGBXAGGSA-N 1 0 331.865 2.829 20 10 EFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1O ZINC000808719614 1281872907 /nfs/dbraw/zinc/87/29/07/1281872907.db2.gz WSROIBRBUVLDMG-RYUDHWBXSA-N 1 0 331.865 2.829 20 10 EFCDRO COc1cncc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000808743506 1281892360 /nfs/dbraw/zinc/89/23/60/1281892360.db2.gz GSVWRGBGDQSCAK-OAHLLOKOSA-N 1 0 327.428 2.778 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CC3)C2)cc1 ZINC001086886304 1281893176 /nfs/dbraw/zinc/89/31/76/1281893176.db2.gz WOCHWSZAOCTYJI-XJKSGUPXSA-N 1 0 343.431 2.747 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)C(CC)CC)cc2=O ZINC000808782052 1281898125 /nfs/dbraw/zinc/89/81/25/1281898125.db2.gz CRCXBPZBQVNCOI-UHFFFAOYSA-N 1 0 334.420 2.622 20 10 EFCDRO O=C(C[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)c1ccc(O)c(O)c1 ZINC001171349278 1281926695 /nfs/dbraw/zinc/92/66/95/1281926695.db2.gz HOWXQRLKTQEGAO-CYBMUJFWSA-N 1 0 333.334 2.706 20 10 EFCDRO CCOc1ccc(N2CC[NH+]([C@@H]3CC[C@@H](C(=O)OC)C3)CC2)cc1 ZINC001170575065 1282132196 /nfs/dbraw/zinc/13/21/96/1282132196.db2.gz WSCGXHSYMMOIOB-NVXWUHKLSA-N 1 0 332.444 2.549 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3cnc([C@@H](C)O)s3)CC2)cc1 ZINC000809612993 1282317999 /nfs/dbraw/zinc/31/79/99/1282317999.db2.gz HPOKSJRAWDLXJV-CYBMUJFWSA-N 1 0 347.484 2.964 20 10 EFCDRO CC(C)C[C@H](C)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000809617428 1282320931 /nfs/dbraw/zinc/32/09/31/1282320931.db2.gz AGYAEKRXLFAUKU-INIZCTEOSA-N 1 0 338.517 2.693 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000809619615 1282323847 /nfs/dbraw/zinc/32/38/47/1282323847.db2.gz VNQAVROLOONARE-UHFFFAOYSA-N 1 0 333.457 2.853 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN3CCCC[C@H]3c3cc[nH]n3)cc2)CC1 ZINC000809692775 1282378821 /nfs/dbraw/zinc/37/88/21/1282378821.db2.gz GOXRJKAAXGFPPU-FQEVSTJZSA-N 1 0 339.487 2.889 20 10 EFCDRO CC[N@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@@H]1CCNC1=O ZINC000809660455 1282389883 /nfs/dbraw/zinc/38/98/83/1282389883.db2.gz IKOQFBVXANTYBK-OAQYLSRUSA-N 1 0 349.478 2.960 20 10 EFCDRO [NH3+]CCN(C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000809727922 1282408648 /nfs/dbraw/zinc/40/86/48/1282408648.db2.gz CTXWSVJBADDRQN-ALCCZGGFSA-N 1 0 342.355 2.982 20 10 EFCDRO CN(CC[N@H+](C)Cc1cc(Cl)cc(F)c1[O-])C1CC[NH+](C)CC1 ZINC000809735166 1282414194 /nfs/dbraw/zinc/41/41/94/1282414194.db2.gz ZYOMVTHVMXFENN-UHFFFAOYSA-N 1 0 343.874 2.643 20 10 EFCDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809724534 1282427862 /nfs/dbraw/zinc/42/78/62/1282427862.db2.gz OMJRSPNQVQPYLR-APWZRJJASA-N 1 0 347.478 2.721 20 10 EFCDRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000809739650 1282437459 /nfs/dbraw/zinc/43/74/59/1282437459.db2.gz AKPYNAOXDFPHPD-OLZOCXBDSA-N 1 0 343.370 2.858 20 10 EFCDRO Cc1cc(Br)cc(C[N@H+](C)C[C@@H](O)C(F)(F)F)c1O ZINC000809750814 1282454390 /nfs/dbraw/zinc/45/43/90/1282454390.db2.gz JBXUYCJTYRCQRG-SNVBAGLBSA-N 1 0 342.155 2.818 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2occ3c2CCC3)cc1C ZINC001131854004 1282455360 /nfs/dbraw/zinc/45/53/60/1282455360.db2.gz AWPTWWFNWPLZDL-UHFFFAOYSA-N 1 0 328.412 2.605 20 10 EFCDRO Cc1cccc(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)c1O ZINC000809784768 1282482585 /nfs/dbraw/zinc/48/25/85/1282482585.db2.gz ZTQNSYFYFKSICJ-HNNXBMFYSA-N 1 0 328.412 2.801 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000809791029 1282490236 /nfs/dbraw/zinc/49/02/36/1282490236.db2.gz RZSCRIXBCFHHHI-HXUWFJFHSA-N 1 0 345.414 2.967 20 10 EFCDRO N[C@H](c1ccccc1O)[C@H]([NH2+][C@H]1CCCOCC1)c1ccccc1O ZINC001170792422 1287601798 /nfs/dbraw/zinc/60/17/98/1287601798.db2.gz MWXXDZHXBFXDJI-VHKYSDTDSA-N 1 0 342.439 2.998 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000815581164 1287610205 /nfs/dbraw/zinc/61/02/05/1287610205.db2.gz YEPZXWBEHCWBFG-UHFFFAOYSA-N 1 0 338.517 2.754 20 10 EFCDRO COC[C@]1(C[NH2+]Cc2c(O)cccc2OC)OCCc2ccccc21 ZINC000810158121 1282987043 /nfs/dbraw/zinc/98/70/43/1282987043.db2.gz HXLRULOJFWSKDK-FQEVSTJZSA-N 1 0 343.423 2.605 20 10 EFCDRO CC[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(C(F)(F)F)cc1O ZINC000810217979 1283044119 /nfs/dbraw/zinc/04/41/19/1283044119.db2.gz NHOAQPUMEPJJMR-UKRRQHHQSA-N 1 0 345.409 2.698 20 10 EFCDRO CC[C@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000810227679 1283056099 /nfs/dbraw/zinc/05/60/99/1283056099.db2.gz HCGYCESXGWKOQZ-SKDRFNHKSA-N 1 0 339.379 2.885 20 10 EFCDRO C[C@H]([NH2+]CCc1cn[nH]c1)c1ccc(N2CCOCC2)cc1Cl ZINC000810247280 1283100697 /nfs/dbraw/zinc/10/06/97/1283100697.db2.gz JCJVSUXJVNRDJW-ZDUSSCGKSA-N 1 0 334.851 2.793 20 10 EFCDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815592728 1287619948 /nfs/dbraw/zinc/61/99/48/1287619948.db2.gz QMNXWHDVBIJSPN-UWVGGRQHSA-N 1 0 339.379 2.885 20 10 EFCDRO CN1CC[C@@](O)(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815616176 1287639230 /nfs/dbraw/zinc/63/92/30/1287639230.db2.gz IBWPXXLXYWLCOX-PZJWPPBQSA-N 1 0 340.467 2.722 20 10 EFCDRO COc1ccc(O)c(C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000715095121 1284031563 /nfs/dbraw/zinc/03/15/63/1284031563.db2.gz DKRNZOVIOCNILN-MQMHXKEQSA-N 1 0 336.432 2.794 20 10 EFCDRO C[N@H+]1CC=C(C[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715812034 1284367196 /nfs/dbraw/zinc/36/71/96/1284367196.db2.gz IDISWUQJRYDNLV-UHFFFAOYSA-N 1 0 329.213 2.645 20 10 EFCDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)c1 ZINC000811521028 1284371865 /nfs/dbraw/zinc/37/18/65/1284371865.db2.gz XJDVXTGAAVDEKE-QGZVFWFLSA-N 1 0 344.434 2.614 20 10 EFCDRO COc1cccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CC2)c1O ZINC000811511593 1284390497 /nfs/dbraw/zinc/39/04/97/1284390497.db2.gz OEJPIILYTWCCPF-HNNXBMFYSA-N 1 0 334.416 2.644 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](C)CC2(C)OCCO2)c1O ZINC000716013121 1284448936 /nfs/dbraw/zinc/44/89/36/1284448936.db2.gz DTLAVSXIFOIQHZ-NSHDSACASA-N 1 0 329.824 2.933 20 10 EFCDRO COc1cc(O)c(C[NH2+]Cc2cn3cc(C)ccc3n2)cc1OC ZINC000811633835 1284464964 /nfs/dbraw/zinc/46/49/64/1284464964.db2.gz ZKCYZGXYWVFFFU-UHFFFAOYSA-N 1 0 327.384 2.655 20 10 EFCDRO CON(C)C(=O)C1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000812292694 1285056115 /nfs/dbraw/zinc/05/61/15/1285056115.db2.gz NDXQGPZRASXANA-UHFFFAOYSA-N 1 0 332.444 2.503 20 10 EFCDRO CCC[NH2+]C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1C ZINC001133353552 1285247107 /nfs/dbraw/zinc/24/71/07/1285247107.db2.gz DNMCXBCUYHOWJD-ZFWWWQNUSA-N 1 0 345.447 2.947 20 10 EFCDRO Cn1ncc2ccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cc21 ZINC000812770829 1285406460 /nfs/dbraw/zinc/40/64/60/1285406460.db2.gz SJUWQTVUZBQQHB-UHFFFAOYSA-N 1 0 336.439 2.700 20 10 EFCDRO CCOc1ccc(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c(O)c1 ZINC000812778376 1285410143 /nfs/dbraw/zinc/41/01/43/1285410143.db2.gz JYIDVSYVSJDGBC-SFHVURJKSA-N 1 0 342.439 2.970 20 10 EFCDRO O=C1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1c1ccccc1F ZINC000812783016 1285417284 /nfs/dbraw/zinc/41/72/84/1285417284.db2.gz URSOBAHCGVFRJI-HNNXBMFYSA-N 1 0 326.371 2.656 20 10 EFCDRO CCc1nnc([C@H](C)[NH2+]C2CCN(c3ccc(OC)cc3)CC2)[nH]1 ZINC000812841909 1285469224 /nfs/dbraw/zinc/46/92/24/1285469224.db2.gz WUFMDEUJPWUUEV-ZDUSSCGKSA-N 1 0 329.448 2.695 20 10 EFCDRO COc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)c1O ZINC000822508527 1289020818 /nfs/dbraw/zinc/02/08/18/1289020818.db2.gz XNEUFXIVBHTBPJ-ZFWWWQNUSA-N 1 0 348.443 2.842 20 10 EFCDRO Cc1cc(Br)cc(CN2C[C@@H]([NH3+])CC(F)(F)C2)c1O ZINC001206139899 1285654703 /nfs/dbraw/zinc/65/47/03/1285654703.db2.gz RYCSFPWXOAATSF-NSHDSACASA-N 1 0 335.192 2.631 20 10 EFCDRO O=C(c1ccccc1)N1CCC[C@H]([NH2+]Cc2ccc(O)c(O)c2)CC1 ZINC001171873340 1285834249 /nfs/dbraw/zinc/83/42/49/1285834249.db2.gz MUHUNHUYWHAGNF-KRWDZBQOSA-N 1 0 340.423 2.882 20 10 EFCDRO O=C(c1ccccc1)N1CCC[C@H]([NH2+]Cc2cccc(O)c2O)CC1 ZINC001171876450 1285837015 /nfs/dbraw/zinc/83/70/15/1285837015.db2.gz BPUUGNYTRMYYIG-KRWDZBQOSA-N 1 0 340.423 2.882 20 10 EFCDRO CC(C)(C)OC(=O)C1CCC([NH2+]CC(=O)c2ccc(O)c(O)c2)CC1 ZINC001171913779 1285901795 /nfs/dbraw/zinc/90/17/95/1285901795.db2.gz ARCQBBKWPLBHCG-UHFFFAOYSA-N 1 0 349.427 2.771 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2cnsn2)cc1C ZINC001133785309 1285935205 /nfs/dbraw/zinc/93/52/05/1285935205.db2.gz MSEZWIDIEVHANI-QWHCGFSZSA-N 1 0 348.472 2.542 20 10 EFCDRO COCCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133797408 1285968480 /nfs/dbraw/zinc/96/84/80/1285968480.db2.gz DDHAYZXMBWLORH-HZPDHXFCSA-N 1 0 336.476 2.803 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)Cc2ccncc2Cl)cc1C ZINC001133856522 1286030683 /nfs/dbraw/zinc/03/06/83/1286030683.db2.gz HVNHLOULJKWIQJ-UHFFFAOYSA-N 1 0 347.846 2.501 20 10 EFCDRO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c(O)c1O ZINC000813828389 1286130809 /nfs/dbraw/zinc/13/08/09/1286130809.db2.gz RXUFBBGACBDZFN-RHSMWYFYSA-N 1 0 340.423 2.799 20 10 EFCDRO COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC001172605636 1286199164 /nfs/dbraw/zinc/19/91/64/1286199164.db2.gz ZMXBMGJABNIJDE-GXFFZTMASA-N 1 0 342.233 2.976 20 10 EFCDRO O=C1C[C@H]([N@H+]2CCc3cccc(O)c3C2)CCN1Cc1ccccc1 ZINC001172682268 1286229495 /nfs/dbraw/zinc/22/94/95/1286229495.db2.gz PFZVXRWHJVVDGJ-GOSISDBHSA-N 1 0 336.435 2.942 20 10 EFCDRO COC(=O)[C@H]1CCC[C@@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC001172780106 1286277989 /nfs/dbraw/zinc/27/79/89/1286277989.db2.gz CVJVFWLDXKDOJX-DLBZAZTESA-N 1 0 346.471 2.939 20 10 EFCDRO COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001172806699 1286284659 /nfs/dbraw/zinc/28/46/59/1286284659.db2.gz KESAVTKGSLTORT-CZUORRHYSA-N 1 0 333.428 2.968 20 10 EFCDRO COC(=O)[C@H]1CCC[C@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001172806694 1286284964 /nfs/dbraw/zinc/28/49/64/1286284964.db2.gz KESAVTKGSLTORT-BBRMVZONSA-N 1 0 333.428 2.968 20 10 EFCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1(CO)CCC1 ZINC000814169788 1286373559 /nfs/dbraw/zinc/37/35/59/1286373559.db2.gz MIXXTWMVEMIGAD-IBGZPJMESA-N 1 0 332.488 2.800 20 10 EFCDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000814170758 1286373621 /nfs/dbraw/zinc/37/36/21/1286373621.db2.gz BNSQTMXJLWLMHN-LJQANCHMSA-N 1 0 329.371 2.848 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[NH2+]C(C)(C)C3)c2C)cc1 ZINC000747920579 1286407658 /nfs/dbraw/zinc/40/76/58/1286407658.db2.gz LOCGMZZAUWEPBG-UHFFFAOYSA-N 1 0 341.455 2.927 20 10 EFCDRO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000814227168 1286422803 /nfs/dbraw/zinc/42/28/03/1286422803.db2.gz QWKCCBLYERXBOP-CQSZACIVSA-N 1 0 337.485 2.528 20 10 EFCDRO CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001095065140 1286474195 /nfs/dbraw/zinc/47/41/95/1286474195.db2.gz WVRZVPWXDGAGNH-MAZHCROVSA-N 1 0 343.431 2.842 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC(C)(C)O)cc1C ZINC001134240250 1286501473 /nfs/dbraw/zinc/50/14/73/1286501473.db2.gz OGAIROMMKGILBE-HUUCEWRRSA-N 1 0 336.476 2.538 20 10 EFCDRO COC(=O)CCCC[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001173445382 1286599371 /nfs/dbraw/zinc/59/93/71/1286599371.db2.gz GFHDQVSHGGUQDA-MRXNPFEDSA-N 1 0 334.460 2.939 20 10 EFCDRO CC[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cc(Cl)ccc1O ZINC000775528553 1286693049 /nfs/dbraw/zinc/69/30/49/1286693049.db2.gz ZFSWWGHAFNMBRO-ZDUSSCGKSA-N 1 0 331.865 2.911 20 10 EFCDRO CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001173647799 1286754972 /nfs/dbraw/zinc/75/49/72/1286754972.db2.gz FIIVEVQHIYCEIT-SJLPKXTDSA-N 1 0 346.471 2.939 20 10 EFCDRO c1nnn([C@@H]2CCC[C@H]([NH2+]Cc3ccc(N4CCCC4)cc3)C2)n1 ZINC001173734813 1286771637 /nfs/dbraw/zinc/77/16/37/1286771637.db2.gz OVKIWBUTSDRHDX-FUHWJXTLSA-N 1 0 326.448 2.547 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173761938 1286781975 /nfs/dbraw/zinc/78/19/75/1286781975.db2.gz XJSZGCDFCVHTRO-MOPGFXCFSA-N 1 0 340.475 2.889 20 10 EFCDRO c1nnn([C@@H]2CCC[C@@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC001173731935 1286789462 /nfs/dbraw/zinc/78/94/62/1286789462.db2.gz DUGQNSPTGKUYJC-IEBWSBKVSA-N 1 0 340.475 2.937 20 10 EFCDRO c1nnn([C@H]2CCC[C@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC001173731932 1286789564 /nfs/dbraw/zinc/78/95/64/1286789564.db2.gz DUGQNSPTGKUYJC-HKUYNNGSSA-N 1 0 340.475 2.937 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)CO[C@H]2CCCC[C@@H]2C)cc1C ZINC001134636764 1286972227 /nfs/dbraw/zinc/97/22/27/1286972227.db2.gz TUHMXUPRDPINNQ-KXBFYZLASA-N 1 0 348.487 2.805 20 10 EFCDRO COC(=O)c1cc(Br)c(O)c(Nc2cc[nH+]cc2C)c1 ZINC001174539051 1287038742 /nfs/dbraw/zinc/03/87/42/1287038742.db2.gz BCTSXWGCBVQITP-UHFFFAOYSA-N 1 0 337.173 2.810 20 10 EFCDRO Cc1cc(Nc2cc(I)ccc2O)cc[nH+]1 ZINC001174656202 1287119184 /nfs/dbraw/zinc/11/91/84/1287119184.db2.gz GTWSACWOOHNONQ-UHFFFAOYSA-N 1 0 326.137 2.866 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc2cnoc2)cc1C ZINC001135265900 1287887074 /nfs/dbraw/zinc/88/70/74/1287887074.db2.gz GEBMTGVGUDYGPA-HUUCEWRRSA-N 1 0 345.443 2.607 20 10 EFCDRO Oc1c(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc2ccccc21 ZINC000816502451 1288173472 /nfs/dbraw/zinc/17/34/72/1288173472.db2.gz BKBCIZGRJWOYIO-RBUKOAKNSA-N 1 0 326.440 2.576 20 10 EFCDRO OCC[N@H+](CCOCC(F)(F)F)Cc1ccc2ccccc2c1O ZINC000816508798 1288178357 /nfs/dbraw/zinc/17/83/57/1288178357.db2.gz VHWDLAKYCURASP-UHFFFAOYSA-N 1 0 343.345 2.919 20 10 EFCDRO Oc1c(CN2CC[NH+](C3CCOCC3)CC2)ccc2ccccc21 ZINC000816514392 1288182961 /nfs/dbraw/zinc/18/29/61/1288182961.db2.gz WENKDDKXQJIIHR-UHFFFAOYSA-N 1 0 326.440 2.842 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCN1CC(C)(C)O ZINC000816585128 1288207384 /nfs/dbraw/zinc/20/73/84/1288207384.db2.gz BJRLCXUGWROHOE-HNNXBMFYSA-N 1 0 328.456 2.822 20 10 EFCDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816552860 1288210338 /nfs/dbraw/zinc/21/03/38/1288210338.db2.gz ZLSXHWLATBRQDM-HOTGVXAUSA-N 1 0 333.453 2.991 20 10 EFCDRO C[N@H+](CCN1CCOC(C)(C)C1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816594101 1288211035 /nfs/dbraw/zinc/21/10/35/1288211035.db2.gz PHQWLANMXVRGAB-UHFFFAOYSA-N 1 0 330.831 2.727 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000816666710 1288237377 /nfs/dbraw/zinc/23/73/77/1288237377.db2.gz UXQNPFGARRJJOL-VQTJNVASSA-N 1 0 328.456 2.667 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NCCC[NH2+]CC2CCCC2)cc1 ZINC001177237546 1288341814 /nfs/dbraw/zinc/34/18/14/1288341814.db2.gz DCRVOSZBQOSJDS-UHFFFAOYSA-N 1 0 331.420 2.749 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NCCC[NH2+]Cc2ccccc2)cc1 ZINC001177237508 1288342323 /nfs/dbraw/zinc/34/23/23/1288342323.db2.gz BWYLKWRYDCSJRU-UHFFFAOYSA-N 1 0 339.399 2.759 20 10 EFCDRO CCc1ncc(C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)s1 ZINC001177296715 1288360665 /nfs/dbraw/zinc/36/06/65/1288360665.db2.gz RNRBZRWYXKKBAQ-UHFFFAOYSA-N 1 0 347.484 2.932 20 10 EFCDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000776229698 1297168587 /nfs/dbraw/zinc/16/85/87/1297168587.db2.gz ACTSJLGCUNRCBL-INIZCTEOSA-N 1 0 331.412 2.757 20 10 EFCDRO C[NH+](C)C1CCC(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000817162378 1288446387 /nfs/dbraw/zinc/44/63/87/1288446387.db2.gz SQKLRFQOPYVOGZ-UHFFFAOYSA-N 1 0 342.487 2.735 20 10 EFCDRO CN1CCCc2cc(CNC(=O)NC3CCC([NH+](C)C)CC3)ccc21 ZINC000817178935 1288451701 /nfs/dbraw/zinc/45/17/01/1288451701.db2.gz PYXNEAWDKNYGGP-UHFFFAOYSA-N 1 0 344.503 2.741 20 10 EFCDRO Cc1cc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)ccc1N(C)C ZINC000852008927 1299500320 /nfs/dbraw/zinc/50/03/20/1299500320.db2.gz JVROXNBGKIJWKO-IBGZPJMESA-N 1 0 331.504 2.748 20 10 EFCDRO CCn1nc(C)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC000817410971 1288590581 /nfs/dbraw/zinc/59/05/81/1288590581.db2.gz VZNLPSYDNQXWPU-UHFFFAOYSA-N 1 0 327.476 2.884 20 10 EFCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000817418905 1288594176 /nfs/dbraw/zinc/59/41/76/1288594176.db2.gz KOFRFVNRZQXJBL-KRWDZBQOSA-N 1 0 335.411 2.540 20 10 EFCDRO COC1([C@H](C)[NH2+]Cc2cc(Br)ccc2O)CCOCC1 ZINC000817420532 1288594823 /nfs/dbraw/zinc/59/48/23/1288594823.db2.gz UVLGKILWHDKAAW-NSHDSACASA-N 1 0 344.249 2.828 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[C@@H](C)OC)[C@H]2C)cc1C ZINC001178302059 1288731789 /nfs/dbraw/zinc/73/17/89/1288731789.db2.gz FUOZPRQGWJKYTO-VYDXJSESSA-N 1 0 334.460 2.508 20 10 EFCDRO CCCOCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001178263307 1288733778 /nfs/dbraw/zinc/73/37/78/1288733778.db2.gz WPXZDXHJIFPMKA-RDJZCZTQSA-N 1 0 334.460 2.509 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000822521145 1289007274 /nfs/dbraw/zinc/00/72/74/1289007274.db2.gz XKFNJVBEITYWGF-SWLSCSKDSA-N 1 0 339.277 2.989 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CNC(=O)N3C)CC2)cc1F ZINC000822529762 1289011292 /nfs/dbraw/zinc/01/12/92/1289011292.db2.gz ITPQMJAGXNIALN-UHFFFAOYSA-N 1 0 348.466 2.662 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@H]2CC[C@@H](C)O2)cc1C ZINC001165836572 1312690162 /nfs/dbraw/zinc/69/01/62/1312690162.db2.gz BKADYICCWGOXDU-NVXWUHKLSA-N 1 0 334.460 2.557 20 10 EFCDRO Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903447708 1312693225 /nfs/dbraw/zinc/69/32/25/1312693225.db2.gz BMKFNWRACRCQRH-LIRRHRJNSA-N 1 0 329.492 2.748 20 10 EFCDRO CC[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cnn(C)c1 ZINC000903447738 1312693486 /nfs/dbraw/zinc/69/34/86/1312693486.db2.gz BWCJDTQFCPNNFE-MOPGFXCFSA-N 1 0 329.492 2.830 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCC23CCOCC3)N(C)C)cc1 ZINC000903447826 1312693725 /nfs/dbraw/zinc/69/37/25/1312693725.db2.gz CVYATUJNPHDDOD-RBUKOAKNSA-N 1 0 331.504 2.904 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@]3(CCOC3)C2)c2ccccc2n1C ZINC001232402819 1312693792 /nfs/dbraw/zinc/69/37/92/1312693792.db2.gz QGJNLAYSKFZTBK-FQEVSTJZSA-N 1 0 342.439 2.967 20 10 EFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)cc1 ZINC000823201776 1289241092 /nfs/dbraw/zinc/24/10/92/1289241092.db2.gz JPRJGFTWDCPPRL-APWZRJJASA-N 1 0 345.487 2.511 20 10 EFCDRO COC[C@@H]1CCCC[N@@H+]1Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232402418 1312693959 /nfs/dbraw/zinc/69/39/59/1312693959.db2.gz MNXOJCJIHFCJRH-AWEZNQCLSA-N 1 0 330.428 2.966 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@H](O)[C@H](C)C2)c2ccccc2n1C ZINC001232402504 1312694116 /nfs/dbraw/zinc/69/41/16/1312694116.db2.gz OWRIUYUNJBYCDF-DYVFJYSZSA-N 1 0 330.428 2.558 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c2ccccc2n1C ZINC001232401893 1312694268 /nfs/dbraw/zinc/69/42/68/1312694268.db2.gz FWNIYBXDGVOKPM-DYVFJYSZSA-N 1 0 330.428 2.558 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)c2ccccc2n1C ZINC001232402324 1312694440 /nfs/dbraw/zinc/69/44/40/1312694440.db2.gz LNOYFMQPJKJNRD-XOBRGWDASA-N 1 0 344.455 2.948 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCCn3ccnc32)N(C)C)cc1 ZINC000903448377 1312694519 /nfs/dbraw/zinc/69/45/19/1312694519.db2.gz ODSYWFHKIFHMKQ-ROUUACIJSA-N 1 0 327.476 2.677 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2CCCn3ccnc32)N(C)C)cc1 ZINC000903448376 1312694590 /nfs/dbraw/zinc/69/45/90/1312694590.db2.gz ODSYWFHKIFHMKQ-QZTJIDSGSA-N 1 0 327.476 2.677 20 10 EFCDRO COC(=O)c1c(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c2ccccc2n1C ZINC001232405109 1312694687 /nfs/dbraw/zinc/69/46/87/1312694687.db2.gz FOUAQXUAPZIAST-PURYLZLUSA-N 1 0 340.423 2.574 20 10 EFCDRO CC[N@H+](CCn1ccnc1)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232404193 1312695214 /nfs/dbraw/zinc/69/52/14/1312695214.db2.gz OEBAHUVJPAEVCO-UHFFFAOYSA-N 1 0 340.427 2.684 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CCCn3nccc32)N(C)C)cc1 ZINC000903449132 1312695358 /nfs/dbraw/zinc/69/53/58/1312695358.db2.gz VNNMKMATVDFWMS-PKOBYXMFSA-N 1 0 327.476 2.677 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC3(C2)CCOCC3)c2ccccc2n1C ZINC001232407903 1312695426 /nfs/dbraw/zinc/69/54/26/1312695426.db2.gz VEQJLLXCMZWVRZ-UHFFFAOYSA-N 1 0 342.439 2.967 20 10 EFCDRO COC(=O)c1c(C[N@H+]2CCC[C@H](OC)CC2)c2ccccc2n1C ZINC001232406046 1312695724 /nfs/dbraw/zinc/69/57/24/1312695724.db2.gz RNGRMANWHFFNFU-AWEZNQCLSA-N 1 0 330.428 2.966 20 10 EFCDRO C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cc2n(n1)CCC2 ZINC000903449204 1312695945 /nfs/dbraw/zinc/69/59/45/1312695945.db2.gz WQJOCYIIENQOST-FOIQADDNSA-N 1 0 341.503 2.849 20 10 EFCDRO COC(=O)c1c(CN2CC[N@H+](C(C)C)[C@@H](C)C2)c2ccccc2n1C ZINC001232409405 1312696405 /nfs/dbraw/zinc/69/64/05/1312696405.db2.gz DMASPVYZNQMKFA-HNNXBMFYSA-N 1 0 343.471 2.879 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCN(c3ncccc3F)CC2)c(O)c1 ZINC001179909676 1289332179 /nfs/dbraw/zinc/33/21/79/1289332179.db2.gz RRUSDDGWYQIRED-UHFFFAOYSA-N 1 0 331.391 2.566 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](Oc3ccc(F)cc3)C1)[C@H](O)CO2 ZINC000872802261 1289389787 /nfs/dbraw/zinc/38/97/87/1289389787.db2.gz MJCCYRJSJPXZAW-MAUKXSAKSA-N 1 0 345.370 2.610 20 10 EFCDRO Cc1cc(O)c(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1Cl ZINC000825628955 1289391356 /nfs/dbraw/zinc/39/13/56/1289391356.db2.gz NZQDWBUARRKRGP-CYBMUJFWSA-N 1 0 326.868 2.631 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H]2COCCO2)cc1 ZINC000823676584 1289418409 /nfs/dbraw/zinc/41/84/09/1289418409.db2.gz DCFCCKFEIICDQI-QGZVFWFLSA-N 1 0 332.469 2.890 20 10 EFCDRO CC1(C)CC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000823851763 1289470386 /nfs/dbraw/zinc/47/03/86/1289470386.db2.gz ZXDXZIFHBYMBGJ-MRXNPFEDSA-N 1 0 336.501 2.590 20 10 EFCDRO COc1ccc(O)c(C[NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1 ZINC000823871686 1289472310 /nfs/dbraw/zinc/47/23/10/1289472310.db2.gz MIPZLQRFMFWBKO-AUUYWEPGSA-N 1 0 348.443 2.747 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)cc1Cn1cccn1 ZINC000873058360 1289544277 /nfs/dbraw/zinc/54/42/77/1289544277.db2.gz DTSISFSAKNOJFD-AEFFLSMTSA-N 1 0 329.444 2.581 20 10 EFCDRO COc1ccc(C[NH2+]C[C@]2(C)CCCC[C@H]2O)cc1Cn1cccn1 ZINC000873072667 1289553121 /nfs/dbraw/zinc/55/31/21/1289553121.db2.gz ZVXIHLCINXTMSR-UXHICEINSA-N 1 0 343.471 2.971 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](OC)C2(C)C)cc1Cn1cccn1 ZINC000873075550 1289554959 /nfs/dbraw/zinc/55/49/59/1289554959.db2.gz XJHRPMPPEWVBKM-QZTJIDSGSA-N 1 0 329.444 2.843 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)cc1Cn1cccn1 ZINC000873075665 1289555343 /nfs/dbraw/zinc/55/53/43/1289555343.db2.gz ZNXNTFACEKSXMG-QAPCUYQASA-N 1 0 340.471 2.655 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@]2(O)CCN(C)C2)cc1 ZINC000824172601 1289561220 /nfs/dbraw/zinc/56/12/20/1289561220.db2.gz RBAXZZNOOHQCAE-IBGZPJMESA-N 1 0 345.512 2.541 20 10 EFCDRO CCCOc1ccc(C[NH2+]CC2CCS(=O)(=O)CC2)cc1C ZINC000873098498 1289568109 /nfs/dbraw/zinc/56/81/09/1289568109.db2.gz RGYAIGABNWFXRP-UHFFFAOYSA-N 1 0 325.474 2.698 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCCOC2)cc1Cn1cccn1 ZINC000873102692 1289569136 /nfs/dbraw/zinc/56/91/36/1289569136.db2.gz NNGOWHKOJIJSSV-WBVHZDCISA-N 1 0 329.444 2.845 20 10 EFCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1C ZINC000873105270 1289571042 /nfs/dbraw/zinc/57/10/42/1289571042.db2.gz YFSXWIXLMMUXIV-INIZCTEOSA-N 1 0 325.474 2.841 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2OCCOC)cc1C ZINC000873109181 1289571952 /nfs/dbraw/zinc/57/19/52/1289571952.db2.gz GDQXQPDJEVLYNH-MJGOQNOKSA-N 1 0 337.460 2.694 20 10 EFCDRO COc1ccc(C[NH2+]CCOC(F)(F)F)cc1Cn1cccn1 ZINC000873113019 1289573112 /nfs/dbraw/zinc/57/31/12/1289573112.db2.gz NFNVLQNUUQSNRG-UHFFFAOYSA-N 1 0 329.322 2.566 20 10 EFCDRO O=C(NCCCSc1nccs1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000824275078 1289579373 /nfs/dbraw/zinc/57/93/73/1289579373.db2.gz ARAHDLGRBPRMGW-KRWDZBQOSA-N 1 0 347.509 2.673 20 10 EFCDRO COc1ccncc1C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873128103 1289583505 /nfs/dbraw/zinc/58/35/05/1289583505.db2.gz CAKPCTBRAUPNJU-UHFFFAOYSA-N 1 0 338.411 2.633 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)[C@H](O)C(C)C ZINC000873132536 1289587164 /nfs/dbraw/zinc/58/71/64/1289587164.db2.gz WVXIQUCVMPPLTH-PKOBYXMFSA-N 1 0 331.460 2.825 20 10 EFCDRO COc1ccc(C[NH2+]C2CCC(OC)CC2)cc1Cn1cccn1 ZINC000873131675 1289587551 /nfs/dbraw/zinc/58/75/51/1289587551.db2.gz WXAWLIMNFZDEOF-UHFFFAOYSA-N 1 0 329.444 2.987 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)cc1Cn1cccn1 ZINC000873132115 1289588039 /nfs/dbraw/zinc/58/80/39/1289588039.db2.gz HZLQMDCZHLFLNC-ZOBUZTSGSA-N 1 0 329.444 2.843 20 10 EFCDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873134881 1289590592 /nfs/dbraw/zinc/59/05/92/1289590592.db2.gz VPWYHPYAGDRPMG-YJBOKZPZSA-N 1 0 331.460 2.827 20 10 EFCDRO CCCN1CC[C@@H]([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000873138915 1289593749 /nfs/dbraw/zinc/59/37/49/1289593749.db2.gz OTZIBCYQJSUSTD-GOSISDBHSA-N 1 0 328.460 2.514 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](CO)CCC(C)C)cc1Cn1cccn1 ZINC000873141402 1289595767 /nfs/dbraw/zinc/59/57/67/1289595767.db2.gz DYYBXMPNWVODKT-GOSISDBHSA-N 1 0 331.460 2.827 20 10 EFCDRO COc1ccc(C[NH2+]CC[C@H](O)C2CCCC2)cc1Cn1cccn1 ZINC000873151924 1289604516 /nfs/dbraw/zinc/60/45/16/1289604516.db2.gz DEBVLSFZFSXPQS-IBGZPJMESA-N 1 0 343.471 2.971 20 10 EFCDRO CCOc1ccc(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1 ZINC000824490146 1289667823 /nfs/dbraw/zinc/66/78/23/1289667823.db2.gz XTWBPIVGAMRYKI-QLPKVWCKSA-N 1 0 348.443 2.746 20 10 EFCDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000824554598 1289696649 /nfs/dbraw/zinc/69/66/49/1289696649.db2.gz IBLCSIZTGVQBLV-HNNXBMFYSA-N 1 0 346.393 2.970 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCN2CCCO)cc1F ZINC000824559200 1289698694 /nfs/dbraw/zinc/69/86/94/1289698694.db2.gz KJEPMYGEAPQZMQ-QGZVFWFLSA-N 1 0 337.483 2.608 20 10 EFCDRO COc1cc(C[N@@H+]2CCCN(C(C)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000824542540 1289710547 /nfs/dbraw/zinc/71/05/47/1289710547.db2.gz WQAVSYOUMWBUCG-UHFFFAOYSA-N 1 0 334.460 2.753 20 10 EFCDRO CCOc1ccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(O)c1 ZINC000824615510 1289729206 /nfs/dbraw/zinc/72/92/06/1289729206.db2.gz HJCRGFOXKOEQSE-GOEBONIOSA-N 1 0 340.423 2.572 20 10 EFCDRO CC(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016366985 1312745957 /nfs/dbraw/zinc/74/59/57/1312745957.db2.gz GPBQOLZRZVBGGG-HNNXBMFYSA-N 1 0 331.420 2.699 20 10 EFCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCc3ncc(Br)n3C1)CC2 ZINC000903481115 1312747429 /nfs/dbraw/zinc/74/74/29/1312747429.db2.gz VICSSEFVHMATIS-NEPJUHHUSA-N 1 0 348.244 2.943 20 10 EFCDRO CCCCC[N@H+](C)CCC(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001181865569 1289980810 /nfs/dbraw/zinc/98/08/10/1289980810.db2.gz FMACJTBYLZQVAR-UHFFFAOYSA-N 1 0 334.460 2.885 20 10 EFCDRO Cc1cc(O)c(C[NH2+]C2CCN(c3cccnn3)CC2)cc1Cl ZINC000825698596 1290047958 /nfs/dbraw/zinc/04/79/58/1290047958.db2.gz QAODCRWZXCOHFF-UHFFFAOYSA-N 1 0 332.835 2.903 20 10 EFCDRO O=C(CCc1ccc(O)c(O)c1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001182154395 1290095779 /nfs/dbraw/zinc/09/57/79/1290095779.db2.gz HIWLXTXIARSLLS-MRXNPFEDSA-N 1 0 332.444 2.507 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204349899 1290229210 /nfs/dbraw/zinc/22/92/10/1290229210.db2.gz YZGTYAQOTLXYEY-GFCCVEGCSA-N 1 0 337.416 2.660 20 10 EFCDRO CC(C)[NH+]1CCC(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000124932070 1290247455 /nfs/dbraw/zinc/24/74/55/1290247455.db2.gz STVXHFYZHYXWAQ-UHFFFAOYSA-N 1 0 342.487 2.735 20 10 EFCDRO C[C@@H]1OCC[C@]12CN(Cc1ccc(Br)cc1O)CCO2 ZINC000825738652 1290263188 /nfs/dbraw/zinc/26/31/88/1290263188.db2.gz RDEFZAXHVNPFPN-NHYWBVRUSA-N 1 0 342.233 2.535 20 10 EFCDRO C[NH+](C)[C@H]1C[C@@H](C(=O)NCc2cc(Cl)c3cccnc3c2O)C1 ZINC001183373834 1290341585 /nfs/dbraw/zinc/34/15/85/1290341585.db2.gz JUAGMVJXBXNPFP-KLPPZKSPSA-N 1 0 333.819 2.550 20 10 EFCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccnc(C(=O)OC)c1 ZINC001232774158 1312775241 /nfs/dbraw/zinc/77/52/41/1312775241.db2.gz DVRUOFBUZJNXOZ-UHFFFAOYSA-N 1 0 327.428 2.956 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)CCc2cc(C)on2)cc1C ZINC001166426004 1312775366 /nfs/dbraw/zinc/77/53/66/1312775366.db2.gz ZMVXUYCYLOWJMP-UHFFFAOYSA-N 1 0 345.443 2.529 20 10 EFCDRO C[N@H+](Cc1ccc(CCO)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC001232777659 1312776166 /nfs/dbraw/zinc/77/61/66/1312776166.db2.gz NICIIPHCSIVINB-UHFFFAOYSA-N 1 0 340.467 2.690 20 10 EFCDRO CCOc1ccc(N2CC[NH+](Cc3ccc(CCO)cc3)CC2)cc1 ZINC001232781272 1312777608 /nfs/dbraw/zinc/77/76/08/1312777608.db2.gz WCUYVSDJQKRZIJ-UHFFFAOYSA-N 1 0 340.467 2.942 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC2CC2)cc1 ZINC001037134452 1290420285 /nfs/dbraw/zinc/42/02/85/1290420285.db2.gz KMZIRJGOFRSMBA-GDBMZVCRSA-N 1 0 343.431 2.747 20 10 EFCDRO COCC1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)CCC1 ZINC001184397360 1290454688 /nfs/dbraw/zinc/45/46/88/1290454688.db2.gz QNVMMWUYXGLJAP-QGZVFWFLSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1cc(O)cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC001232803982 1312783843 /nfs/dbraw/zinc/78/38/43/1312783843.db2.gz SFDWEKHRNDXIAI-UHFFFAOYSA-N 1 0 342.439 2.869 20 10 EFCDRO C[NH+](C)CC(C)(C)CNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000825790798 1290524845 /nfs/dbraw/zinc/52/48/45/1290524845.db2.gz RHCGXWWEWHZPOV-UHFFFAOYSA-N 1 0 346.500 2.634 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CC(CN(C)C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232835408 1312791313 /nfs/dbraw/zinc/79/13/13/1312791313.db2.gz BYLCHQTZRFDNMD-UHFFFAOYSA-N 1 0 349.475 2.757 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232835767 1312791966 /nfs/dbraw/zinc/79/19/66/1312791966.db2.gz HCOJLPCLHCACBX-LIRRHRJNSA-N 1 0 347.459 2.557 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232838961 1312792242 /nfs/dbraw/zinc/79/22/42/1312792242.db2.gz LCCMHHKTYCBWSX-MRXNPFEDSA-N 1 0 349.475 2.899 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c(O)c1 ZINC001232840097 1312792354 /nfs/dbraw/zinc/79/23/54/1312792354.db2.gz MVWKELJKGLQBPL-UHFFFAOYSA-N 1 0 346.862 2.829 20 10 EFCDRO COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232838208 1312792452 /nfs/dbraw/zinc/79/24/52/1312792452.db2.gz HXEMNIYMUPRNFG-UZLBHIALSA-N 1 0 348.487 2.866 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CC3(CN(Cc4ccccc4)C3)C2)c(O)c1 ZINC001232838733 1312792571 /nfs/dbraw/zinc/79/25/71/1312792571.db2.gz CSIPKUGBAIYUNL-UHFFFAOYSA-N 1 0 337.467 2.776 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)C2CN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232838657 1312792593 /nfs/dbraw/zinc/79/25/93/1312792593.db2.gz BDWDSBSUSTZVSO-UHFFFAOYSA-N 1 0 335.448 2.509 20 10 EFCDRO CC(=O)N(C(C)C)C1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232840976 1312792848 /nfs/dbraw/zinc/79/28/48/1312792848.db2.gz OYQRPDYLYBZQSS-UHFFFAOYSA-N 1 0 333.476 2.680 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1 ZINC001232840824 1312793119 /nfs/dbraw/zinc/79/31/19/1312793119.db2.gz LBMDWGPLHCFJRE-GDBMZVCRSA-N 1 0 347.459 2.509 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c(O)c1 ZINC001232841159 1312793182 /nfs/dbraw/zinc/79/31/82/1312793182.db2.gz VUYXSWPDVAGDNC-IBGZPJMESA-N 1 0 326.440 2.902 20 10 EFCDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232841316 1312793391 /nfs/dbraw/zinc/79/33/91/1312793391.db2.gz BZPPYVYPOYKHQC-HIFRSBDPSA-N 1 0 349.475 2.946 20 10 EFCDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092100428 1290644869 /nfs/dbraw/zinc/64/48/69/1290644869.db2.gz CEMZCJAWYSCPHO-IBGZPJMESA-N 1 0 329.488 2.977 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000092218458 1290665136 /nfs/dbraw/zinc/66/51/36/1290665136.db2.gz NXYJAFHXCDZBAF-FQEVSTJZSA-N 1 0 331.504 2.829 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ocnc2C2CC2)cc1C ZINC001166607018 1312801838 /nfs/dbraw/zinc/80/18/38/1312801838.db2.gz JRDYYGXVFKAWGU-UHFFFAOYSA-N 1 0 343.427 2.779 20 10 EFCDRO CCc1c(C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)ccn1C ZINC001166667938 1312814856 /nfs/dbraw/zinc/81/48/56/1312814856.db2.gz LXKSVFUDHAWQTN-UHFFFAOYSA-N 1 0 343.471 2.814 20 10 EFCDRO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1c(C)cccc1O ZINC000876533164 1290936648 /nfs/dbraw/zinc/93/66/48/1290936648.db2.gz PBLQFHRJPFRNRW-UHFFFAOYSA-N 1 0 330.403 2.978 20 10 EFCDRO CC(C)[NH2+]C1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876661384 1290970138 /nfs/dbraw/zinc/97/01/38/1290970138.db2.gz CSXXYFBYZFTBFP-UHFFFAOYSA-N 1 0 331.504 2.610 20 10 EFCDRO Cc1occc1C(=O)NC1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876684860 1290980090 /nfs/dbraw/zinc/98/00/90/1290980090.db2.gz SZEUTWLZZGHVLW-UHFFFAOYSA-N 1 0 328.412 2.996 20 10 EFCDRO C[N@H+](CCC1CCOCC1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876759768 1291009655 /nfs/dbraw/zinc/00/96/55/1291009655.db2.gz MICGCBWLGGJJFM-UHFFFAOYSA-N 1 0 332.488 2.896 20 10 EFCDRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876771809 1291016421 /nfs/dbraw/zinc/01/64/21/1291016421.db2.gz ZLNJIFNCADCROQ-IBGZPJMESA-N 1 0 345.531 2.811 20 10 EFCDRO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876809010 1291029694 /nfs/dbraw/zinc/02/96/94/1291029694.db2.gz OYBVIKULYZYIFC-HXUWFJFHSA-N 1 0 332.488 2.895 20 10 EFCDRO COc1cccc(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)c1O ZINC000825916560 1291033547 /nfs/dbraw/zinc/03/35/47/1291033547.db2.gz PYGQHEZYOOVAMX-QGZVFWFLSA-N 1 0 329.396 2.858 20 10 EFCDRO Cc1cc(O)c(CN(CC[NH+](C)C)C[C@@H]2CCCO2)cc1Cl ZINC000825910632 1291035075 /nfs/dbraw/zinc/03/50/75/1291035075.db2.gz ILCXBUAKSPZBJU-HNNXBMFYSA-N 1 0 326.868 2.897 20 10 EFCDRO CC(C)CC[C@H]([NH3+])C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000876872797 1291054092 /nfs/dbraw/zinc/05/40/92/1291054092.db2.gz NFAPGCXLOLPYRL-IRXDYDNUSA-N 1 0 334.460 2.663 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]CCN3CCCCCC3)cc2)CC1 ZINC000876914681 1291070204 /nfs/dbraw/zinc/07/02/04/1291070204.db2.gz VJEWGHFFDDAIEG-UHFFFAOYSA-N 1 0 331.504 2.613 20 10 EFCDRO Cc1csc(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000876929907 1291075678 /nfs/dbraw/zinc/07/56/78/1291075678.db2.gz OWQMAFHCJBFVDC-UHFFFAOYSA-N 1 0 331.485 2.745 20 10 EFCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c(O)c1 ZINC000876950767 1291082838 /nfs/dbraw/zinc/08/28/38/1291082838.db2.gz VJBRFRUUTGWXAU-CQSZACIVSA-N 1 0 348.468 2.802 20 10 EFCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)sn1 ZINC000876965176 1291088982 /nfs/dbraw/zinc/08/89/82/1291088982.db2.gz DCOQSYWUADGTTH-UHFFFAOYSA-N 1 0 331.485 2.950 20 10 EFCDRO CN(Cc1cc(O)c(O)c(O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233010859 1312832081 /nfs/dbraw/zinc/83/20/81/1312832081.db2.gz VXCOAIOZYUNYLE-MRXNPFEDSA-N 1 0 328.412 2.510 20 10 EFCDRO Oc1cc(C[NH+]2CCC3(CC(OCC4CC4)C3)CC2)cc(O)c1O ZINC001233011419 1312832184 /nfs/dbraw/zinc/83/21/84/1312832184.db2.gz CJIKSRGXLHAWSC-UHFFFAOYSA-N 1 0 333.428 2.975 20 10 EFCDRO C[C@](CO)([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877037928 1291112843 /nfs/dbraw/zinc/11/28/43/1291112843.db2.gz ZIEJDLQJJXPPMH-OAQYLSRUSA-N 1 0 340.467 2.645 20 10 EFCDRO CC(C)(C)OC(=O)CC1CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233015525 1312832717 /nfs/dbraw/zinc/83/27/17/1312832717.db2.gz QMIKUBDZDSJONB-UHFFFAOYSA-N 1 0 337.416 2.747 20 10 EFCDRO COc1ccccc1[C@@H](O)C[N@H+](Cc1cc(O)c(O)c(O)c1)C(C)C ZINC001233016813 1312832953 /nfs/dbraw/zinc/83/29/53/1312832953.db2.gz PGZGCXCVEGHRIH-KRWDZBQOSA-N 1 0 347.411 2.756 20 10 EFCDRO Cc1nccn1CCCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877057390 1291119773 /nfs/dbraw/zinc/11/97/73/1291119773.db2.gz CBXRZZKCLCZYQY-UHFFFAOYSA-N 1 0 342.487 2.723 20 10 EFCDRO OCC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCCC1 ZINC000877082042 1291129283 /nfs/dbraw/zinc/12/92/83/1291129283.db2.gz LSIMOBGXFHNOPJ-UHFFFAOYSA-N 1 0 332.488 2.680 20 10 EFCDRO Cc1cccc([C@H](O)C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000877092196 1291133470 /nfs/dbraw/zinc/13/34/70/1291133470.db2.gz WUARYTROTOULEI-OAQYLSRUSA-N 1 0 340.467 2.779 20 10 EFCDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000093419184 1291133973 /nfs/dbraw/zinc/13/39/73/1291133973.db2.gz SLEVYFNNEITOAS-KRWDZBQOSA-N 1 0 336.451 2.911 20 10 EFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]CC3CCSCC3)cc2)C1 ZINC000877146460 1291146063 /nfs/dbraw/zinc/14/60/63/1291146063.db2.gz TUKALQTVVCTSCI-QGZVFWFLSA-N 1 0 347.528 2.621 20 10 EFCDRO CCOc1ncccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877145533 1291146090 /nfs/dbraw/zinc/14/60/90/1291146090.db2.gz JVMVMAVUALGMNF-UHFFFAOYSA-N 1 0 341.455 2.731 20 10 EFCDRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)OC ZINC000877146004 1291146174 /nfs/dbraw/zinc/14/61/74/1291146174.db2.gz OPKUTXHRNUBQHO-VDZJLULYSA-N 1 0 347.503 2.539 20 10 EFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534705 1291165711 /nfs/dbraw/zinc/16/57/11/1291165711.db2.gz KULUBSFNUJYAMK-CQSZACIVSA-N 1 0 328.372 2.690 20 10 EFCDRO C[N@@H+]1CC[C@@H]2CN(Cc3c([O-])cc(Br)cc3F)C[C@@H]2C1 ZINC001233029270 1312836740 /nfs/dbraw/zinc/83/67/40/1312836740.db2.gz KBLAAPHBVXSMQJ-MNOVXSKESA-N 1 0 343.240 2.677 20 10 EFCDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000877323106 1291192513 /nfs/dbraw/zinc/19/25/13/1291192513.db2.gz IMYBVHASFRGAIF-CABCVRRESA-N 1 0 345.443 2.617 20 10 EFCDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000795693153 1291205923 /nfs/dbraw/zinc/20/59/23/1291205923.db2.gz RXICSMMBYHLCPL-RHSMWYFYSA-N 1 0 348.487 2.690 20 10 EFCDRO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc(C)cc2O)cc1 ZINC000877407861 1291227354 /nfs/dbraw/zinc/22/73/54/1291227354.db2.gz DAXXLWICIQUZHJ-UHFFFAOYSA-N 1 0 329.396 2.884 20 10 EFCDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000877408918 1291227472 /nfs/dbraw/zinc/22/74/72/1291227472.db2.gz VGKRTBPCSJCOEH-OAHLLOKOSA-N 1 0 333.453 2.961 20 10 EFCDRO COC(=O)COc1ccc(C[N@H+](C)Cc2c(C)cccc2O)cc1 ZINC000877409083 1291227680 /nfs/dbraw/zinc/22/76/80/1291227680.db2.gz XCPKMSZECCAYAC-UHFFFAOYSA-N 1 0 329.396 2.884 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H](C2CC2)O1 ZINC000877486929 1291245174 /nfs/dbraw/zinc/24/51/74/1291245174.db2.gz OESBUMDFACNYDK-QRWLVFNGSA-N 1 0 330.472 2.647 20 10 EFCDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877486473 1291245615 /nfs/dbraw/zinc/24/56/15/1291245615.db2.gz NYFHRXZYXPBOBX-APWZRJJASA-N 1 0 332.488 2.773 20 10 EFCDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877519337 1291256402 /nfs/dbraw/zinc/25/64/02/1291256402.db2.gz XNZIQRATABMMHM-YLJYHZDGSA-N 1 0 343.515 2.706 20 10 EFCDRO O[C@@H](CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877528166 1291260396 /nfs/dbraw/zinc/26/03/96/1291260396.db2.gz VUKRKLWCVMIDOS-NRFANRHFSA-N 1 0 340.467 2.861 20 10 EFCDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000877588503 1291283411 /nfs/dbraw/zinc/28/34/11/1291283411.db2.gz RDQLHKDFHNUBJN-QRWLVFNGSA-N 1 0 332.488 2.941 20 10 EFCDRO OCC[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877597082 1291286232 /nfs/dbraw/zinc/28/62/32/1291286232.db2.gz YXILBYIDTUIAFX-QGZVFWFLSA-N 1 0 332.488 2.632 20 10 EFCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877637355 1291301138 /nfs/dbraw/zinc/30/11/38/1291301138.db2.gz SFIGFVYQQNUHLV-UHFFFAOYSA-N 1 0 326.440 2.952 20 10 EFCDRO COCCC1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877650679 1291308931 /nfs/dbraw/zinc/30/89/31/1291308931.db2.gz TVYDOQRGUPPCDC-UHFFFAOYSA-N 1 0 332.488 2.896 20 10 EFCDRO C[C@@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1O ZINC000877756479 1291362025 /nfs/dbraw/zinc/36/20/25/1291362025.db2.gz KXVVXAUACGMLSM-LLVKDONJSA-N 1 0 330.340 2.922 20 10 EFCDRO OC[C@@H]1CSCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000877779883 1291374635 /nfs/dbraw/zinc/37/46/35/1291374635.db2.gz HBBMASZOUPSJRN-QGZVFWFLSA-N 1 0 345.464 2.881 20 10 EFCDRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2cc(F)ccc2O)c1 ZINC000877831915 1291400521 /nfs/dbraw/zinc/40/05/21/1291400521.db2.gz BYTONHFDNBRWIY-ADLMAVQZSA-N 1 0 335.375 2.760 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ncn(-c4ccccc4)n3)cc2)CC1 ZINC000775175340 1291406115 /nfs/dbraw/zinc/40/61/15/1291406115.db2.gz HPIPUNRWRVNBAT-UHFFFAOYSA-N 1 0 348.454 2.631 20 10 EFCDRO CC[NH+]1C[C@@H]2CN(Cc3cc(Br)cc(C)c3O)C[C@H]2C1 ZINC001233111532 1312856460 /nfs/dbraw/zinc/85/64/60/1312856460.db2.gz SGAAHFLUOXVTMU-ZIAGYGMSSA-N 1 0 339.277 2.847 20 10 EFCDRO Cc1cc(Br)cc(CN2C[C@H]3[C@H](C2)CCC[N@H+]3C)c1O ZINC001233111180 1312856903 /nfs/dbraw/zinc/85/69/03/1312856903.db2.gz KAECIKZNLYEINJ-WFASDCNBSA-N 1 0 339.277 2.989 20 10 EFCDRO COC[C@@H]1C[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@@H](C)O1 ZINC000249459814 1291466794 /nfs/dbraw/zinc/46/67/94/1291466794.db2.gz FDZDPBBLPLZJGJ-CJNGLKHVSA-N 1 0 337.460 2.934 20 10 EFCDRO Cc1cc(O)c(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)cc1Cl ZINC000826024334 1291516964 /nfs/dbraw/zinc/51/69/64/1291516964.db2.gz ZFERTTRTNFBFIW-SJORKVTESA-N 1 0 325.836 2.764 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)cc1Br ZINC001233134865 1312863112 /nfs/dbraw/zinc/86/31/12/1312863112.db2.gz GJOCPHQJZSJIMQ-ZUZCIYMTSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2CO)cc1Br ZINC001233134663 1312863459 /nfs/dbraw/zinc/86/34/59/1312863459.db2.gz AQGARZRBNNJOSB-NSHDSACASA-N 1 0 330.222 2.510 20 10 EFCDRO COc1cc(O)c(CN2CCC[C@H]2C[NH+](C)C)cc1Br ZINC001233140280 1312865465 /nfs/dbraw/zinc/86/54/65/1312865465.db2.gz CISAXENDKKCJNW-LBPRGKRZSA-N 1 0 343.265 2.689 20 10 EFCDRO COC(=O)c1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000795901098 1291633015 /nfs/dbraw/zinc/63/30/15/1291633015.db2.gz FARZFCFAFOLFLA-UHFFFAOYSA-N 1 0 340.423 2.600 20 10 EFCDRO O=C(Nc1nccs1)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001189406272 1291713266 /nfs/dbraw/zinc/71/32/66/1291713266.db2.gz BJQNTHFYVWBBPB-UHFFFAOYSA-N 1 0 332.429 2.635 20 10 EFCDRO CCCCOC(=O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775261541 1291734890 /nfs/dbraw/zinc/73/48/90/1291734890.db2.gz VZQMZOHRZYMXIP-MRXNPFEDSA-N 1 0 334.460 2.907 20 10 EFCDRO CCOC(=O)CCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775259834 1291742572 /nfs/dbraw/zinc/74/25/72/1291742572.db2.gz YXEGUJQHGFUTQJ-MRXNPFEDSA-N 1 0 334.460 2.907 20 10 EFCDRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001233194095 1312877055 /nfs/dbraw/zinc/87/70/55/1312877055.db2.gz LYOWBBIHFJLEBE-AWEZNQCLSA-N 1 0 349.228 2.758 20 10 EFCDRO CCN(C)c1ccc(C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1 ZINC000878870350 1291836532 /nfs/dbraw/zinc/83/65/32/1291836532.db2.gz ZFHJWHZVJCZTBO-RBUKOAKNSA-N 1 0 332.488 2.943 20 10 EFCDRO CCOC(=O)c1c(C[NH+]2CCC(C)(O)CC2)c2ccccc2n1C ZINC001233270154 1312889032 /nfs/dbraw/zinc/88/90/32/1312889032.db2.gz CJXHLRGAUHXMTK-UHFFFAOYSA-N 1 0 330.428 2.702 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@@H](CO)CC2)c2ccccc2n1C ZINC001233270717 1312889844 /nfs/dbraw/zinc/88/98/44/1312889844.db2.gz XQHMSSNLRAYLQG-OAHLLOKOSA-N 1 0 344.455 2.949 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@@H](O)CC2)c2ccccc2n1C ZINC001233270389 1312889884 /nfs/dbraw/zinc/88/98/84/1312889884.db2.gz LZYRVCLKLDKCBR-CQSZACIVSA-N 1 0 330.428 2.702 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@@H](COC)C2)c2ccccc2n1C ZINC001233270685 1312890206 /nfs/dbraw/zinc/89/02/06/1312890206.db2.gz WMDCLXJUEIYAMQ-CQSZACIVSA-N 1 0 330.428 2.823 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2C[C@@H](CO)CC[C@H]2C)c2ccccc2n1C ZINC001233270403 1312890478 /nfs/dbraw/zinc/89/04/78/1312890478.db2.gz MOUZPESULBVATD-CABCVRRESA-N 1 0 344.455 2.948 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@](C)(O)C2)c2ccccc2n1C ZINC001233272433 1312890683 /nfs/dbraw/zinc/89/06/83/1312890683.db2.gz LERUSHCAAVFYAS-IBGZPJMESA-N 1 0 330.428 2.702 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c2ccccc2n1C ZINC001233272913 1312891009 /nfs/dbraw/zinc/89/10/09/1312891009.db2.gz GTWPWGPCABQKBC-DDUZABMNSA-N 1 0 342.439 2.822 20 10 EFCDRO CCOC(=O)c1c(CN(C)CC[NH+]2CCCC2)c2ccccc2n1C ZINC001233273038 1312891184 /nfs/dbraw/zinc/89/11/84/1312891184.db2.gz LOEHGXZJALDUHT-UHFFFAOYSA-N 1 0 343.471 2.883 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@@H](CCO)C2)c2ccccc2n1C ZINC001233272502 1312891361 /nfs/dbraw/zinc/89/13/61/1312891361.db2.gz NNRPBAGMJQNQSA-HNNXBMFYSA-N 1 0 344.455 2.949 20 10 EFCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCN(C[C@H]3CCCO3)CC2)c1 ZINC001233286392 1312895087 /nfs/dbraw/zinc/89/50/87/1312895087.db2.gz RWXZAVZGFOUGMY-GOSISDBHSA-N 1 0 332.488 2.986 20 10 EFCDRO CCN1CCO[C@@H]2C[N@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@@H]2C1 ZINC001233285358 1312895701 /nfs/dbraw/zinc/89/57/01/1312895701.db2.gz COQYYDQLDNTFBO-QFBILLFUSA-N 1 0 332.488 2.842 20 10 EFCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCN(c3cncnc3)CC2)c1 ZINC001233286840 1312895853 /nfs/dbraw/zinc/89/58/53/1312895853.db2.gz LCQYAOLMNWLBTA-UHFFFAOYSA-N 1 0 326.444 2.802 20 10 EFCDRO COc1cc(Cl)cc(C[NH+]2CCC3(CCC(=O)N3C)CC2)c1O ZINC001233290897 1312895960 /nfs/dbraw/zinc/89/59/60/1312895960.db2.gz CBYZSDLEWTYEQW-UHFFFAOYSA-N 1 0 338.835 2.641 20 10 EFCDRO COC(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233290791 1312896397 /nfs/dbraw/zinc/89/63/97/1312896397.db2.gz WJIPFRKRGZGHNK-LLVKDONJSA-N 1 0 327.808 2.829 20 10 EFCDRO COc1cc(Cl)cc(C[NH+]2CCC(Oc3ncccn3)CC2)c1O ZINC001233289621 1312896512 /nfs/dbraw/zinc/89/65/12/1312896512.db2.gz DQQCGBOUAFBHMS-UHFFFAOYSA-N 1 0 349.818 2.888 20 10 EFCDRO CCNC(=O)OC1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC001233290698 1312896650 /nfs/dbraw/zinc/89/66/50/1312896650.db2.gz QXJJXCSOXGFXSW-UHFFFAOYSA-N 1 0 342.823 2.765 20 10 EFCDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233290907 1312896660 /nfs/dbraw/zinc/89/66/60/1312896660.db2.gz CMFWYPHVLSIPBQ-CYBMUJFWSA-N 1 0 326.824 2.545 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2c(F)cccc2F)c1 ZINC000775370516 1292085867 /nfs/dbraw/zinc/08/58/67/1292085867.db2.gz OIYYCAGGFVXZRN-SNVBAGLBSA-N 1 0 336.338 2.968 20 10 EFCDRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001233333685 1312905712 /nfs/dbraw/zinc/90/57/12/1312905712.db2.gz DVDCCWIYPLJMQQ-DOTOQJQBSA-N 1 0 327.371 2.688 20 10 EFCDRO COc1ccccc1S(=O)(=O)CCC[NH2+][C@H](C)c1ccccc1O ZINC000879649008 1292217981 /nfs/dbraw/zinc/21/79/81/1292217981.db2.gz HBWSOLGZPYWFQX-CQSZACIVSA-N 1 0 349.452 2.915 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)NCCc1c(F)cccc1F)c1ccccc1O ZINC000879648697 1292218096 /nfs/dbraw/zinc/21/80/96/1292218096.db2.gz ZOXOPTHDVUHBNY-GFCCVEGCSA-N 1 0 334.366 2.680 20 10 EFCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)NCCc1ccc(F)cc1 ZINC000879648997 1292218272 /nfs/dbraw/zinc/21/82/72/1292218272.db2.gz ISVWMLQQRIFGLY-ZIAGYGMSSA-N 1 0 330.403 2.929 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)NCCOc1cccc(Cl)c1)c1ccccc1O ZINC000879648628 1292218483 /nfs/dbraw/zinc/21/84/83/1292218483.db2.gz WUQTYPVYDBRXCN-CYBMUJFWSA-N 1 0 348.830 2.891 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1O ZINC000879648339 1292218501 /nfs/dbraw/zinc/21/85/01/1292218501.db2.gz KKLJUZBXNNIIIL-MLGOLLRUSA-N 1 0 341.367 2.757 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)c1ccccc1O ZINC000879649375 1292218842 /nfs/dbraw/zinc/21/88/42/1292218842.db2.gz PDWDJYFYITZHAQ-SNVBAGLBSA-N 1 0 334.445 2.831 20 10 EFCDRO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879647993 1292218863 /nfs/dbraw/zinc/21/88/63/1292218863.db2.gz VCXPMPLILLQJJI-KGLIPLIRSA-N 1 0 328.412 2.929 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1O ZINC000879648942 1292219034 /nfs/dbraw/zinc/21/90/34/1292219034.db2.gz HDOMDTPQKGICIL-NEPJUHHUSA-N 1 0 328.368 2.799 20 10 EFCDRO COc1ccc(COC[C@@H](O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879650070 1292219410 /nfs/dbraw/zinc/21/94/10/1292219410.db2.gz ZSSXMAORZXJCPK-ZBFHGGJFSA-N 1 0 331.412 2.629 20 10 EFCDRO COCCC[NH+]1CCN(Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233418758 1312928991 /nfs/dbraw/zinc/92/89/91/1312928991.db2.gz VBIMGMVEWDKOIF-UHFFFAOYSA-N 1 0 332.366 2.565 20 10 EFCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC001233452382 1312934806 /nfs/dbraw/zinc/93/48/06/1312934806.db2.gz UMVRDHDKNRZQNM-NSHDSACASA-N 1 0 329.240 2.910 20 10 EFCDRO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233453956 1312935224 /nfs/dbraw/zinc/93/52/24/1312935224.db2.gz AIUANWHJAOKJMI-GFCCVEGCSA-N 1 0 330.350 2.711 20 10 EFCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3O)CC[C@@H]21 ZINC001233455286 1312936101 /nfs/dbraw/zinc/93/61/01/1312936101.db2.gz DSDFDACICOIJON-FZMZJTMJSA-N 1 0 342.361 2.854 20 10 EFCDRO CN1CCC2(CC[NH+](Cc3ccc(C(F)(F)F)cc3O)CC2)C1=O ZINC001233455274 1312936367 /nfs/dbraw/zinc/93/63/67/1312936367.db2.gz DHWYFEUCIOXGPC-UHFFFAOYSA-N 1 0 342.361 2.855 20 10 EFCDRO COc1cccc(O[C@H]2CCC[N@H+](Cc3cc(O)c(O)cc3O)C2)c1 ZINC001233484915 1312939651 /nfs/dbraw/zinc/93/96/51/1312939651.db2.gz CFDBJAILHAKTHI-INIZCTEOSA-N 1 0 345.395 2.855 20 10 EFCDRO CC(=O)OC[C@H]1CCC2(C1)CC[NH+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233487060 1312940199 /nfs/dbraw/zinc/94/01/99/1312940199.db2.gz NVUKKVFXKIBBCZ-AWEZNQCLSA-N 1 0 349.427 2.749 20 10 EFCDRO C[C@@H](c1ccccc1)[NH+]1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233485592 1312940271 /nfs/dbraw/zinc/94/02/71/1312940271.db2.gz CGFJRXGPHAATTB-AWEZNQCLSA-N 1 0 328.412 2.682 20 10 EFCDRO Oc1cc(O)c(CN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)cc1O ZINC001233485610 1312940734 /nfs/dbraw/zinc/94/07/34/1312940734.db2.gz CYOXBNCNAAANRE-WBVHZDCISA-N 1 0 340.423 2.510 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](OCc3ccccc3)C2)cc1O ZINC001233486226 1312940781 /nfs/dbraw/zinc/94/07/81/1312940781.db2.gz DMPFOQHOURMGPZ-MRXNPFEDSA-N 1 0 329.396 2.985 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC3(Cc4ccccc4O3)CC2)cc1O ZINC001233486685 1312940854 /nfs/dbraw/zinc/94/08/54/1312940854.db2.gz XYKDYCCZANPMRL-UHFFFAOYSA-N 1 0 327.380 2.773 20 10 EFCDRO O=C(C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)NC1CC1 ZINC000796263681 1292663581 /nfs/dbraw/zinc/66/35/81/1292663581.db2.gz CLVBLRUXWCKFOU-UHFFFAOYSA-N 1 0 335.451 2.618 20 10 EFCDRO COc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC001203555977 1312955206 /nfs/dbraw/zinc/95/52/06/1312955206.db2.gz LMFXYHKTPNAENU-UHFFFAOYSA-N 1 0 340.423 2.795 20 10 EFCDRO Cc1cc(C(=O)Cn2cc([C@@H](C)[NH3+])nn2)c(C)n1-c1ccccc1C ZINC000881228032 1292792358 /nfs/dbraw/zinc/79/23/58/1292792358.db2.gz MSSRGXVFNWGAOK-CQSZACIVSA-N 1 0 337.427 2.897 20 10 EFCDRO CC[C@H]1[N@H+](Cc2ccccc2O)CCC[C@]12CCC(=O)N2CCOC ZINC001203552765 1312954234 /nfs/dbraw/zinc/95/42/34/1312954234.db2.gz SKMUIPLSAQPNAP-QUCCMNQESA-N 1 0 346.471 2.774 20 10 EFCDRO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3O)CC2)C1 ZINC001203551683 1312954512 /nfs/dbraw/zinc/95/45/12/1312954512.db2.gz KKDAHCKDTVJEIZ-KRWDZBQOSA-N 1 0 346.471 2.632 20 10 EFCDRO O=C1[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]2CN1Cc1cccc(F)c1 ZINC001203551819 1312954585 /nfs/dbraw/zinc/95/45/85/1312954585.db2.gz PBPWWKJDVRYMIS-WMZOPIPTSA-N 1 0 340.398 2.622 20 10 EFCDRO Oc1ccccc1C[N@H+]1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001203552934 1312955035 /nfs/dbraw/zinc/95/50/35/1312955035.db2.gz VUBLHWWQISHJPC-INIZCTEOSA-N 1 0 327.428 2.647 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001203556325 1312955746 /nfs/dbraw/zinc/95/57/46/1312955746.db2.gz MQUSBUCIZKWMKT-KXBFYZLASA-N 1 0 344.386 2.739 20 10 EFCDRO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC001203558480 1312955965 /nfs/dbraw/zinc/95/59/65/1312955965.db2.gz IYPASBRNJAOTRS-UHFFFAOYSA-N 1 0 340.423 2.891 20 10 EFCDRO Cc1cc(Cn2cc(CC[NH+]3CCCCC3)nn2)ccc1N(C)C ZINC000881378379 1292863662 /nfs/dbraw/zinc/86/36/62/1292863662.db2.gz NZTHZUFLDZLLRG-UHFFFAOYSA-N 1 0 327.476 2.729 20 10 EFCDRO Cc1cc(Cn2cc(C[C@H]([NH3+])c3ccccc3)nn2)ccc1N(C)C ZINC000881377663 1292864399 /nfs/dbraw/zinc/86/43/99/1292864399.db2.gz SENNXFGJHKAWBS-IBGZPJMESA-N 1 0 335.455 2.943 20 10 EFCDRO CC[C@](C)([NH3+])c1cn(Cc2ccc(N3CCC(OC)CC3)cc2)nn1 ZINC000881380045 1292865545 /nfs/dbraw/zinc/86/55/45/1292865545.db2.gz IZXGBKDJQFCXQU-IBGZPJMESA-N 1 0 343.475 2.526 20 10 EFCDRO COC1CCN(c2ccc(Cn3cc([C@H]([NH3+])C(C)C)nn3)cc2)CC1 ZINC000881379861 1292866462 /nfs/dbraw/zinc/86/64/62/1292866462.db2.gz AWPYNCXTVFXHSH-LJQANCHMSA-N 1 0 343.475 2.597 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)c1O ZINC001203589704 1312964677 /nfs/dbraw/zinc/96/46/77/1312964677.db2.gz LOZBATUDDRECTE-IBGZPJMESA-N 1 0 348.443 2.986 20 10 EFCDRO COc1cccc(C[NH+]2CC3(C2)CCN(Cc2cccnc2)C3)c1O ZINC001203591983 1312965337 /nfs/dbraw/zinc/96/53/37/1312965337.db2.gz OJFHPNWGABOXTP-UHFFFAOYSA-N 1 0 339.439 2.504 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c1O ZINC001203589706 1312965513 /nfs/dbraw/zinc/96/55/13/1312965513.db2.gz LOZBATUDDRECTE-LJQANCHMSA-N 1 0 348.443 2.986 20 10 EFCDRO COc1cccc(C[NH+]2CCC3(CC2)C(=O)Nc2ccccc23)c1O ZINC001203590053 1312965529 /nfs/dbraw/zinc/96/55/29/1312965529.db2.gz SRZDGJWVONIAJB-UHFFFAOYSA-N 1 0 338.407 2.887 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2cccc(OC)c2O)Cc2cn(CC)nc21 ZINC001203593913 1312965717 /nfs/dbraw/zinc/96/57/17/1312965717.db2.gz RPIREACOPZUZOL-MRXNPFEDSA-N 1 0 345.443 2.753 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@@]3(CCCCN3C(C)=O)C2)c1O ZINC001203594240 1312965733 /nfs/dbraw/zinc/96/57/33/1312965733.db2.gz WAMGFBPOZQRGHZ-IBGZPJMESA-N 1 0 332.444 2.768 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2cccc(OC)c2O)Cc2cn(CC)nc21 ZINC001203593912 1312965740 /nfs/dbraw/zinc/96/57/40/1312965740.db2.gz RPIREACOPZUZOL-INIZCTEOSA-N 1 0 345.443 2.753 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@]3(CCCCN3C(C)=O)C2)c1O ZINC001203594241 1312966044 /nfs/dbraw/zinc/96/60/44/1312966044.db2.gz WAMGFBPOZQRGHZ-LJQANCHMSA-N 1 0 332.444 2.768 20 10 EFCDRO CCOc1cccc(C[NH+]2CC3(CN(c4ccccc4)C3=O)C2)c1O ZINC001203609525 1312970108 /nfs/dbraw/zinc/97/01/08/1312970108.db2.gz WXEZDWJZQJAJPY-UHFFFAOYSA-N 1 0 338.407 2.640 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)c1O ZINC001203608377 1312970373 /nfs/dbraw/zinc/97/03/73/1312970373.db2.gz NQVIUJZGKBDBGA-IRXDYDNUSA-N 1 0 344.455 2.766 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC(Oc3ncccn3)CC2)c1O ZINC001203609489 1312970563 /nfs/dbraw/zinc/97/05/63/1312970563.db2.gz VJXNHWJZBMBVKT-UHFFFAOYSA-N 1 0 329.400 2.624 20 10 EFCDRO Cc1ccc([C@H](C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000881851147 1293027983 /nfs/dbraw/zinc/02/79/83/1293027983.db2.gz OUINCECNJXOSRC-INIZCTEOSA-N 1 0 341.455 2.760 20 10 EFCDRO C[C@H]1CC/C(=C/C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881850749 1293028054 /nfs/dbraw/zinc/02/80/54/1293028054.db2.gz FJXCZMDQVUXWBS-IYWFSZBXSA-N 1 0 327.472 2.801 20 10 EFCDRO Cc1csc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000881852677 1293028558 /nfs/dbraw/zinc/02/85/58/1293028558.db2.gz BHPOAFAOXNLGBJ-UHFFFAOYSA-N 1 0 329.469 2.738 20 10 EFCDRO CCS[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000881851014 1293029145 /nfs/dbraw/zinc/02/91/45/1293029145.db2.gz AXFQEWUIZNSIAT-SFHVURJKSA-N 1 0 349.544 2.832 20 10 EFCDRO CC(C)[C@@]1(C)C[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852586 1293029803 /nfs/dbraw/zinc/02/98/03/1293029803.db2.gz WZXDOUZIWDXOPE-AZUAARDMSA-N 1 0 329.488 2.737 20 10 EFCDRO CSCC1(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000881854696 1293030786 /nfs/dbraw/zinc/03/07/86/1293030786.db2.gz ICEOZYPNAJCMRV-UHFFFAOYSA-N 1 0 347.528 2.588 20 10 EFCDRO C[C@@H]1CC=C(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000881853365 1293031464 /nfs/dbraw/zinc/03/14/64/1293031464.db2.gz TVHSNAOSVSRRMC-MRXNPFEDSA-N 1 0 327.472 2.801 20 10 EFCDRO C[C@H]1CC[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000881855109 1293032534 /nfs/dbraw/zinc/03/25/34/1293032534.db2.gz PCFVFNVCAUOHIR-SAABIXHNSA-N 1 0 329.488 2.881 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)c1O ZINC001203617703 1312972203 /nfs/dbraw/zinc/97/22/03/1312972203.db2.gz VGNWAFLHDAOKBQ-MRXNPFEDSA-N 1 0 347.459 2.561 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@H](Oc3ncccc3OC)C2)c1O ZINC001203616939 1312972219 /nfs/dbraw/zinc/97/22/19/1312972219.db2.gz BGVMZDHOLREZEX-HNNXBMFYSA-N 1 0 344.411 2.848 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](Oc3ncncc3C)C2)c1O ZINC001203616947 1312972559 /nfs/dbraw/zinc/97/25/59/1312972559.db2.gz BLLFPKXJMJZKFZ-INIZCTEOSA-N 1 0 343.427 2.933 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203622240 1312972883 /nfs/dbraw/zinc/97/28/83/1312972883.db2.gz VGHOETJBNHCYJY-IBGZPJMESA-N 1 0 348.443 2.986 20 10 EFCDRO COc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c(O)c1 ZINC001203621322 1312973080 /nfs/dbraw/zinc/97/30/80/1312973080.db2.gz ABEKRFIQKXCGPV-HIFRSBDPSA-N 1 0 348.443 2.842 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1 ZINC001203622165 1312973322 /nfs/dbraw/zinc/97/33/22/1312973322.db2.gz RGANGEMRYGIXJD-XJKSGUPXSA-N 1 0 348.443 2.842 20 10 EFCDRO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccc(OC)cc1O)C2 ZINC001203620605 1312973540 /nfs/dbraw/zinc/97/35/40/1312973540.db2.gz GBGXJVKGFQHWJV-UHFFFAOYSA-N 1 0 327.380 2.746 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2ccc(OC)cc2O)Cc2cnn(CC)c21 ZINC001203623220 1312973869 /nfs/dbraw/zinc/97/38/69/1312973869.db2.gz MSOBOEOQSALPSK-MRXNPFEDSA-N 1 0 345.443 2.753 20 10 EFCDRO COc1ccc(C[NH+]2CCC3(CCCN3C(=O)N(C)C)CC2)c(O)c1 ZINC001203622778 1312973949 /nfs/dbraw/zinc/97/39/49/1312973949.db2.gz BOTPJVLZHOYJQI-UHFFFAOYSA-N 1 0 347.459 2.513 20 10 EFCDRO COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(OC)cc1O)C2 ZINC001203623622 1312974677 /nfs/dbraw/zinc/97/46/77/1312974677.db2.gz VJCORIAGXRQZLK-BEFAXECRSA-N 1 0 335.444 2.808 20 10 EFCDRO COc1ccc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c(O)c1 ZINC001203628879 1312975378 /nfs/dbraw/zinc/97/53/78/1312975378.db2.gz JCPLHKSIQRGNEK-OAHLLOKOSA-N 1 0 333.350 2.926 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001203629976 1312975931 /nfs/dbraw/zinc/97/59/31/1312975931.db2.gz PMDBLWBOKBUKRZ-MJGOQNOKSA-N 1 0 333.428 2.561 20 10 EFCDRO COc1ccc(C[NH+]2CCC(Oc3nccc(C)n3)CC2)c(O)c1 ZINC001203634901 1312977228 /nfs/dbraw/zinc/97/72/28/1312977228.db2.gz AOYXYQJZQWCUMS-UHFFFAOYSA-N 1 0 329.400 2.543 20 10 EFCDRO COC(=O)c1ccc(C2C[NH+](Cc3ccc(OC)cc3O)C2)cc1 ZINC001203634820 1312977400 /nfs/dbraw/zinc/97/74/00/1312977400.db2.gz WVVWBYCDFURLOX-UHFFFAOYSA-N 1 0 327.380 2.787 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)cc2O)C[C@H]1c1ccccc1 ZINC001203635321 1312977417 /nfs/dbraw/zinc/97/74/17/1312977417.db2.gz PNRGSYKGHQDATC-ZWKOTPCHSA-N 1 0 341.407 2.789 20 10 EFCDRO OC[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CCC1(F)F ZINC001233727646 1312978823 /nfs/dbraw/zinc/97/88/23/1312978823.db2.gz NUFQYZFKFDUVSG-SNVBAGLBSA-N 1 0 341.276 2.740 20 10 EFCDRO Oc1ccc(Br)cc1C[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001203645380 1312979897 /nfs/dbraw/zinc/97/98/97/1312979897.db2.gz FTKPSTLAMNYENI-PHIMTYICSA-N 1 0 348.187 2.868 20 10 EFCDRO C[N@H+](C1CC1)[C@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC001203650375 1312980161 /nfs/dbraw/zinc/98/01/61/1312980161.db2.gz QLFAQUSLKTZVKT-AWEZNQCLSA-N 1 0 325.250 2.823 20 10 EFCDRO CC[NH+]1C[C@@H]2CN(Cc3cc(Br)ccc3O)C[C@H]2C1 ZINC001203648732 1312980197 /nfs/dbraw/zinc/98/01/97/1312980197.db2.gz RLSRBXSSDUAVGQ-CHWSQXEVSA-N 1 0 325.250 2.538 20 10 EFCDRO CCC[NH+]1C[C@H]2CN(Cc3cc(Br)ccc3O)C[C@@H]2C1 ZINC001203650617 1312980913 /nfs/dbraw/zinc/98/09/13/1312980913.db2.gz YAWTTYCXORBDHO-KBPBESRZSA-N 1 0 339.277 2.928 20 10 EFCDRO COC(=O)C1CC[NH+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233736436 1312981724 /nfs/dbraw/zinc/98/17/24/1312981724.db2.gz KXMGTVMNJBHWQV-UHFFFAOYSA-N 1 0 333.306 2.676 20 10 EFCDRO CN(C)c1ccc(-c2nc(C(=O)NC[C@@H]3CC[N@H+](C)C3)cs2)cc1 ZINC001193178739 1293201413 /nfs/dbraw/zinc/20/14/13/1293201413.db2.gz GVHQZTSYKIWQMQ-ZDUSSCGKSA-N 1 0 344.484 2.558 20 10 EFCDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(O)c(O)c1Cl ZINC001193236759 1293209342 /nfs/dbraw/zinc/20/93/42/1293209342.db2.gz QDHMRIBOLIYWJX-LLVKDONJSA-N 1 0 326.824 2.601 20 10 EFCDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(O)c(O)c1Cl ZINC001193236689 1293209371 /nfs/dbraw/zinc/20/93/71/1293209371.db2.gz NEAPUURSICURBG-LLVKDONJSA-N 1 0 326.824 2.746 20 10 EFCDRO O=C(NCCC[NH2+]C1CCCCC1)c1ccc(O)c(O)c1Cl ZINC001193237039 1293209513 /nfs/dbraw/zinc/20/95/13/1293209513.db2.gz VINLJRDYUBNEGO-UHFFFAOYSA-N 1 0 326.824 2.793 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCCC23CN(C(=O)OC(C)(C)C)C3)c1 ZINC001203670317 1312985483 /nfs/dbraw/zinc/98/54/83/1312985483.db2.gz NTMNQSYHTZQVDW-UHFFFAOYSA-N 1 0 348.443 2.986 20 10 EFCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233760539 1312986049 /nfs/dbraw/zinc/98/60/49/1312986049.db2.gz GYIXASQOXRBKIC-NSHDSACASA-N 1 0 333.306 2.818 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)NC3CCC3)CC2)c1 ZINC001203672902 1312986379 /nfs/dbraw/zinc/98/63/79/1312986379.db2.gz IKAYDRPWJTXFPR-KRWDZBQOSA-N 1 0 344.455 2.672 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC3(CCCN3C(=O)N(C)C)CC2)c1 ZINC001203673131 1312986734 /nfs/dbraw/zinc/98/67/34/1312986734.db2.gz OGKLJALSSYBZRR-UHFFFAOYSA-N 1 0 347.459 2.513 20 10 EFCDRO COC[C@H]1COCCC12CC[NH+](Cc1cc(OC)ccc1O)CC2 ZINC001203675242 1312986949 /nfs/dbraw/zinc/98/69/49/1312986949.db2.gz QZGPKGKAWSTJOE-INIZCTEOSA-N 1 0 335.444 2.666 20 10 EFCDRO Cc1noc([C@H]2CC[N@H+](Cc3cccc(OC(F)(F)F)c3O)C2)n1 ZINC001233768220 1312987740 /nfs/dbraw/zinc/98/77/40/1312987740.db2.gz MLTBDYNBGXZZJX-NSHDSACASA-N 1 0 343.305 2.972 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(Oc3cc(Cl)ncn3)CC2)c1 ZINC001203678666 1312988043 /nfs/dbraw/zinc/98/80/43/1312988043.db2.gz QTNPEDDDLJNIDS-UHFFFAOYSA-N 1 0 349.818 2.888 20 10 EFCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(OC)ccc2O)C[C@H]1c1ccccc1 ZINC001203684530 1312989408 /nfs/dbraw/zinc/98/94/08/1312989408.db2.gz YZOGSUJAHYRFKQ-ROUUACIJSA-N 1 0 341.407 2.789 20 10 EFCDRO Cn1cnc2c1CN(Cc1cccc(OC(F)(F)F)c1O)CC2 ZINC001233775713 1312989897 /nfs/dbraw/zinc/98/98/97/1312989897.db2.gz APUDJBWSXAXMBR-UHFFFAOYSA-N 1 0 327.306 2.583 20 10 EFCDRO CSc1ccnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000882879609 1293365891 /nfs/dbraw/zinc/36/58/91/1293365891.db2.gz DTOIIMGZKVSIFQ-UHFFFAOYSA-N 1 0 329.473 2.562 20 10 EFCDRO Cc1ccc([N+](=O)[O-])c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000882880435 1293366388 /nfs/dbraw/zinc/36/63/88/1293366388.db2.gz SERHAOBBPJJKAZ-UHFFFAOYSA-N 1 0 341.415 2.662 20 10 EFCDRO [O-]c1c(F)cc(F)cc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000883049067 1293442575 /nfs/dbraw/zinc/44/25/75/1293442575.db2.gz CIINWIHBVDUHCI-IRXDYDNUSA-N 1 0 340.414 2.528 20 10 EFCDRO CC[C@H](C)[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883195809 1293501624 /nfs/dbraw/zinc/50/16/24/1293501624.db2.gz CPZLQGNHGUPLAI-HOTGVXAUSA-N 1 0 332.492 2.672 20 10 EFCDRO CC(C)=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194368984 1293599495 /nfs/dbraw/zinc/59/94/95/1293599495.db2.gz ZLSRCKXQFSNSTP-MRXNPFEDSA-N 1 0 343.431 2.962 20 10 EFCDRO CC(C)=CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194368982 1293600591 /nfs/dbraw/zinc/60/05/91/1293600591.db2.gz ZLSRCKXQFSNSTP-INIZCTEOSA-N 1 0 343.431 2.962 20 10 EFCDRO CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194375445 1293603625 /nfs/dbraw/zinc/60/36/25/1293603625.db2.gz QNNMCKFYPQEKFZ-OAHLLOKOSA-N 1 0 331.420 2.795 20 10 EFCDRO C[C@H]([NH2+]CCCSc1nccs1)c1ccc(-n2cnnn2)cc1 ZINC000132293911 1293646884 /nfs/dbraw/zinc/64/68/84/1293646884.db2.gz KPJPWYJJAYILMU-LBPRGKRZSA-N 1 0 346.485 2.952 20 10 EFCDRO C[C@H](CCC1CC1)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883622435 1293654371 /nfs/dbraw/zinc/65/43/71/1293654371.db2.gz PSDZGCSIKNYUJN-MRXNPFEDSA-N 1 0 344.503 2.816 20 10 EFCDRO CN(Cc1nccn1C(F)F)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775651059 1293898948 /nfs/dbraw/zinc/89/89/48/1293898948.db2.gz KFUWBGUTJDDRAD-UHFFFAOYSA-N 1 0 349.429 2.662 20 10 EFCDRO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775654639 1293923054 /nfs/dbraw/zinc/92/30/54/1293923054.db2.gz OACZRFIVGVXXGQ-UHFFFAOYSA-N 1 0 328.460 2.675 20 10 EFCDRO CC(C)(C)OC(=O)N[C@H]1CCCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203875107 1313038431 /nfs/dbraw/zinc/03/84/31/1313038431.db2.gz HLRNYEYKHPVOSW-AWEZNQCLSA-N 1 0 336.432 2.977 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(O)c(O)c3)CC[C@@H]21 ZINC001203877739 1313038773 /nfs/dbraw/zinc/03/87/73/1313038773.db2.gz IIKKXTULHHVUHA-GJZGRUSLSA-N 1 0 348.443 2.929 20 10 EFCDRO CCOc1cccc(N2CC[NH+](Cc3cccc(C)c3O)CC2)n1 ZINC000775659459 1293936576 /nfs/dbraw/zinc/93/65/76/1293936576.db2.gz XDIJYPAPQNTHJW-UHFFFAOYSA-N 1 0 327.428 2.817 20 10 EFCDRO O=C1Cc2ccccc2N1C1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203879626 1313039864 /nfs/dbraw/zinc/03/98/64/1313039864.db2.gz VLGAFRTXZOHMHG-UHFFFAOYSA-N 1 0 338.407 2.652 20 10 EFCDRO COc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(O)c(O)c3)C2)nc1 ZINC001203884121 1313041207 /nfs/dbraw/zinc/04/12/07/1313041207.db2.gz SPHFRAYYTUAYPB-HNNXBMFYSA-N 1 0 330.384 2.545 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)Cc2cnn(C)c21 ZINC001203931069 1313050096 /nfs/dbraw/zinc/05/00/96/1313050096.db2.gz AVXMXCYHRCSLSM-KRWDZBQOSA-N 1 0 328.460 2.622 20 10 EFCDRO CCO[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)[C@H]1Cc1cnn(C)c1 ZINC001203931336 1313050110 /nfs/dbraw/zinc/05/01/10/1313050110.db2.gz FHAZILMFENOUAD-PMACEKPBSA-N 1 0 342.487 2.708 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)cc1 ZINC001203933533 1313050626 /nfs/dbraw/zinc/05/06/26/1313050626.db2.gz OPSNNQGASJOCHH-YJBOKZPZSA-N 1 0 341.480 2.909 20 10 EFCDRO Cc1cnc(O[C@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)nc1 ZINC001203936780 1313051507 /nfs/dbraw/zinc/05/15/07/1313051507.db2.gz NFUIVXLNTKXCEG-SFHVURJKSA-N 1 0 326.444 2.894 20 10 EFCDRO CCN(CC)c1ccc(CN2C[C@@H]3C[N@H+](CC)CCO[C@@H]3C2)cc1 ZINC001203938798 1313051525 /nfs/dbraw/zinc/05/15/25/1313051525.db2.gz DZKMVSTUIBEBMY-AZUAARDMSA-N 1 0 331.504 2.685 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC3(CCN(CC4CC4)C3=O)CC2)cc1 ZINC001203937521 1313051693 /nfs/dbraw/zinc/05/16/93/1313051693.db2.gz URIMMENRLJVENH-UHFFFAOYSA-N 1 0 341.499 2.977 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccncc3)C2)cc1 ZINC001203936574 1313051712 /nfs/dbraw/zinc/05/17/12/1313051712.db2.gz HUTLGVQLCUDJGX-GOSISDBHSA-N 1 0 338.455 2.542 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)cc1 ZINC001203946814 1313052510 /nfs/dbraw/zinc/05/25/10/1313052510.db2.gz XMXQRYRWMAMJOX-GOSISDBHSA-N 1 0 326.444 2.976 20 10 EFCDRO C[N@@H+](Cc1ccc(O)c(O)c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203882740 1294703142 /nfs/dbraw/zinc/70/31/42/1294703142.db2.gz TWXGIHQURAKHMK-AWEZNQCLSA-N 1 0 336.432 2.787 20 10 EFCDRO C[N@@H+](Cc1ccc(O)c(O)c1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203882741 1294703756 /nfs/dbraw/zinc/70/37/56/1294703756.db2.gz TWXGIHQURAKHMK-CQSZACIVSA-N 1 0 336.432 2.787 20 10 EFCDRO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000886110168 1294708173 /nfs/dbraw/zinc/70/81/73/1294708173.db2.gz ZVRAOBTUXFXESD-AWEZNQCLSA-N 1 0 342.399 2.677 20 10 EFCDRO CC(=O)N1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)[C@@H](C)C1 ZINC001204240495 1313106519 /nfs/dbraw/zinc/10/65/19/1313106519.db2.gz VGVMRZBRHVLNCN-HNNXBMFYSA-N 1 0 325.456 2.958 20 10 EFCDRO Cc1cccc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC000886325484 1294855010 /nfs/dbraw/zinc/85/50/10/1294855010.db2.gz HNOHEWDJLWBSNR-UHFFFAOYSA-N 1 0 337.467 2.987 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c2ccccc21 ZINC001204243389 1313107272 /nfs/dbraw/zinc/10/72/72/1313107272.db2.gz ZBXXDZQFFURFFR-OAHLLOKOSA-N 1 0 325.412 2.542 20 10 EFCDRO CC(=O)N1CCC2(C[NH+](Cc3ccc(N(C)C)c4ccccc34)C2)C1 ZINC001204243375 1313107507 /nfs/dbraw/zinc/10/75/07/1313107507.db2.gz YKRZLABJNFGHCR-UHFFFAOYSA-N 1 0 337.467 2.960 20 10 EFCDRO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(O)cc2O)O1 ZINC001204273436 1313113397 /nfs/dbraw/zinc/11/33/97/1313113397.db2.gz BPZSYBGXMLEAAZ-ZHALLVOQSA-N 1 0 335.444 2.892 20 10 EFCDRO CCOC[C@@H]1COCCC12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204274818 1313113549 /nfs/dbraw/zinc/11/35/49/1313113549.db2.gz UCWMDTOWDZHWPY-MRXNPFEDSA-N 1 0 335.444 2.753 20 10 EFCDRO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(O)cc3O)C2)CN1c1ccsc1 ZINC001204275085 1313113759 /nfs/dbraw/zinc/11/37/59/1313113759.db2.gz WTCXFBPWUIKAMT-GOSISDBHSA-N 1 0 344.436 2.788 20 10 EFCDRO C[N@H+](Cc1ccc(O)cc1O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001204275867 1313114144 /nfs/dbraw/zinc/11/41/44/1313114144.db2.gz DCBPVXKMZIZKAP-AWEZNQCLSA-N 1 0 336.432 2.929 20 10 EFCDRO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3ccc(O)cc3O)C2)C1 ZINC001204276296 1313114187 /nfs/dbraw/zinc/11/41/87/1313114187.db2.gz JRKCABFAFMFCSK-UHFFFAOYSA-N 1 0 334.416 2.541 20 10 EFCDRO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](Cc3ccc(O)cc3O)C2)C1 ZINC001204276743 1313114259 /nfs/dbraw/zinc/11/42/59/1313114259.db2.gz PVDRDSYYBZYPFO-CYBMUJFWSA-N 1 0 348.443 2.787 20 10 EFCDRO CC(C)(C)OC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204275801 1313114341 /nfs/dbraw/zinc/11/43/41/1313114341.db2.gz BPLICAFKDYDFIZ-UHFFFAOYSA-N 1 0 334.416 2.541 20 10 EFCDRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@@H]21 ZINC001204276725 1313114372 /nfs/dbraw/zinc/11/43/72/1313114372.db2.gz PJGBNSFCYWQUCN-CJNGLKHVSA-N 1 0 348.443 2.929 20 10 EFCDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(O)cc3O)CC[C@@H]2C1 ZINC001204276374 1313114430 /nfs/dbraw/zinc/11/44/30/1313114430.db2.gz LBOSNRQHPZQDJP-HIFRSBDPSA-N 1 0 348.443 2.787 20 10 EFCDRO O=C(C1CCCCC1)N1CCC[N@@H+](Cc2ccc(O)cc2O)CC1 ZINC001204279635 1313115857 /nfs/dbraw/zinc/11/58/57/1313115857.db2.gz DGOXYSQODVSTCC-UHFFFAOYSA-N 1 0 332.444 2.712 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775837979 1294972499 /nfs/dbraw/zinc/97/24/99/1294972499.db2.gz WJFIFKUGNCCOHD-LBPRGKRZSA-N 1 0 342.399 2.611 20 10 EFCDRO COc1ccc2nc(C[NH2+][C@@H](C)c3ccc(N(C)C)cc3)[nH]c2n1 ZINC000775834547 1294978068 /nfs/dbraw/zinc/97/80/68/1294978068.db2.gz AACMLFDFPYGMJC-LBPRGKRZSA-N 1 0 325.416 2.883 20 10 EFCDRO C[C@@H]([NH2+]CCn1cnc2ccccc2c1=O)c1ccc(N(C)C)cc1 ZINC000775833791 1294980971 /nfs/dbraw/zinc/98/09/71/1294980971.db2.gz MCWIGVSOJYUDTJ-OAHLLOKOSA-N 1 0 336.439 2.813 20 10 EFCDRO C[C@H]([NH2+]CCn1cnc2ccccc2c1=O)c1ccc(N(C)C)cc1 ZINC000775833790 1294982672 /nfs/dbraw/zinc/98/26/72/1294982672.db2.gz MCWIGVSOJYUDTJ-HNNXBMFYSA-N 1 0 336.439 2.813 20 10 EFCDRO CC[N@@H+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000104381330 1294983861 /nfs/dbraw/zinc/98/38/61/1294983861.db2.gz MSUISYFQQVSSHD-IBGZPJMESA-N 1 0 345.487 2.655 20 10 EFCDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1C(F)(F)F ZINC001204324928 1313122925 /nfs/dbraw/zinc/12/29/25/1313122925.db2.gz PKVALZIXFPCRSA-ZBFHGGJFSA-N 1 0 328.378 2.889 20 10 EFCDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204327255 1313123590 /nfs/dbraw/zinc/12/35/90/1313123590.db2.gz NIDGSTLNSIBIMN-SFHVURJKSA-N 1 0 344.455 2.631 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)c1O ZINC001204336384 1313124857 /nfs/dbraw/zinc/12/48/57/1313124857.db2.gz MPJOOQGJKOCYNQ-MEBBXXQBSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@H](O)CC2)c1O ZINC001204336487 1313125010 /nfs/dbraw/zinc/12/50/10/1313125010.db2.gz SIAOTSAJHVZTIO-ZWNOBZJWSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](O)[C@H](C)C2)c1O ZINC001204335859 1313125022 /nfs/dbraw/zinc/12/50/22/1313125022.db2.gz AWOOIAHPLLMLCR-MFKMUULPSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)c1O ZINC001204335860 1313125167 /nfs/dbraw/zinc/12/51/67/1313125167.db2.gz AWOOIAHPLLMLCR-ZWNOBZJWSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(CN2CCC[N@H+](Cc3ccccc3)CC2)cc(O)c1O ZINC001204341674 1313125469 /nfs/dbraw/zinc/12/54/69/1313125469.db2.gz FKYIWOCLNRYYPP-UHFFFAOYSA-N 1 0 342.439 2.814 20 10 EFCDRO COc1cc(CN(CC[NH+](C)C)Cc2ccccc2)cc(O)c1O ZINC001204340093 1313125791 /nfs/dbraw/zinc/12/57/91/1313125791.db2.gz BUAPAMSTUMCSCX-UHFFFAOYSA-N 1 0 330.428 2.670 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1O ZINC001204343119 1313126247 /nfs/dbraw/zinc/12/62/47/1313126247.db2.gz YSVPCOVYRBEBIE-CNDDSTCGSA-N 1 0 330.197 2.811 20 10 EFCDRO COc1cc(C[N@H+](Cc2ccccc2)CC(C)(C)O)cc(O)c1O ZINC001204349487 1313127191 /nfs/dbraw/zinc/12/71/91/1313127191.db2.gz UBRJEZLTTUXRMM-UHFFFAOYSA-N 1 0 331.412 2.880 20 10 EFCDRO COc1cc(C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)cc(O)c1O ZINC001204350491 1313127240 /nfs/dbraw/zinc/12/72/40/1313127240.db2.gz IAYMKTDODQAGII-UHFFFAOYSA-N 1 0 346.402 2.958 20 10 EFCDRO COc1cc(C[NH+]2CCC3(CCn4c(C)cnc43)CC2)cc(O)c1O ZINC001204347922 1313127257 /nfs/dbraw/zinc/12/72/57/1313127257.db2.gz DAKSTZXSXTVKIB-UHFFFAOYSA-N 1 0 343.427 2.549 20 10 EFCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(OC)c2)C[C@H]1C ZINC001204350540 1313127400 /nfs/dbraw/zinc/12/74/00/1313127400.db2.gz IHNSEDIFPCBCRB-OCCSQVGLSA-N 1 0 337.416 2.518 20 10 EFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000886749391 1295134251 /nfs/dbraw/zinc/13/42/51/1295134251.db2.gz RMTZUOBARXYZPW-MOPGFXCFSA-N 1 0 327.472 2.667 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@@H]1C[C@H]1C ZINC000886751544 1295135062 /nfs/dbraw/zinc/13/50/62/1295135062.db2.gz TZTQRSJCBAIMIA-ZMYBRWDISA-N 1 0 329.488 2.913 20 10 EFCDRO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(C)c1O ZINC001273770468 1295198546 /nfs/dbraw/zinc/19/85/46/1295198546.db2.gz RSUSBBJXUZJHTR-MGPUTAFESA-N 1 0 344.455 2.635 20 10 EFCDRO Cc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC(F)F)CC2)c1O ZINC001273770170 1295198678 /nfs/dbraw/zinc/19/86/78/1295198678.db2.gz PREOKSCUSSTAQT-CQSZACIVSA-N 1 0 338.398 2.684 20 10 EFCDRO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)c1O ZINC001273770493 1295198838 /nfs/dbraw/zinc/19/88/38/1295198838.db2.gz RZMQOWOFDIMUHR-ZIAGYGMSSA-N 1 0 342.361 2.828 20 10 EFCDRO CCOCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(C)c1O ZINC001273770242 1295198989 /nfs/dbraw/zinc/19/89/89/1295198989.db2.gz QUAOEZSTGRZECB-FQEVSTJZSA-N 1 0 346.471 2.694 20 10 EFCDRO Cc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)NCC(F)F)CC2)c1O ZINC001273770169 1295199255 /nfs/dbraw/zinc/19/92/55/1295199255.db2.gz PREOKSCUSSTAQT-AWEZNQCLSA-N 1 0 338.398 2.684 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c2c1 ZINC001234525801 1313145686 /nfs/dbraw/zinc/14/56/86/1313145686.db2.gz KFNAPHJWXYRZSZ-CQSZACIVSA-N 1 0 333.428 2.508 20 10 EFCDRO COc1ccc2ccc(O)c(C[NH+]3CC(N4CC[C@H](F)C4)C3)c2c1 ZINC001234552845 1313155157 /nfs/dbraw/zinc/15/51/57/1313155157.db2.gz KUTHNJBOHPIBTL-AWEZNQCLSA-N 1 0 330.403 2.782 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCN(C(C)=O)[C@H](C)C3)c2c1 ZINC001234570391 1313160758 /nfs/dbraw/zinc/16/07/58/1313160758.db2.gz ZFTJARBSJIIRPJ-CYBMUJFWSA-N 1 0 328.412 2.607 20 10 EFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C)c2O)[C@@H]1OC ZINC000775978388 1295540249 /nfs/dbraw/zinc/54/02/49/1295540249.db2.gz KRTQOXIAAVSCES-NFAWXSAZSA-N 1 0 344.249 2.745 20 10 EFCDRO CC(C)(C)NC(=O)N1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000775982951 1295571486 /nfs/dbraw/zinc/57/14/86/1295571486.db2.gz GQBLZTYPKUFROT-UHFFFAOYSA-N 1 0 325.840 2.671 20 10 EFCDRO CC[NH+]1CCN(c2ccc(O[C@H](C)C(=O)OC(C)(C)C)cc2)CC1 ZINC001234658296 1313179461 /nfs/dbraw/zinc/17/94/61/1313179461.db2.gz ZNHBSXCXDZHACP-OAHLLOKOSA-N 1 0 334.460 2.938 20 10 EFCDRO CCOC(=O)[C@H]1C[C@@H](Oc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC001234660896 1313180046 /nfs/dbraw/zinc/18/00/46/1313180046.db2.gz MFYRZIVHWPQAOQ-RHNCMZPLSA-N 1 0 332.444 2.549 20 10 EFCDRO CC[C@@H]1C[C@H](C)CN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889669324 1295794414 /nfs/dbraw/zinc/79/44/14/1295794414.db2.gz GPJOYTJRCWANGZ-FUHWJXTLSA-N 1 0 344.503 2.768 20 10 EFCDRO Oc1ccccc1C[NH+]1CCC(NC(=S)Nc2cccnc2)CC1 ZINC001199910574 1295817364 /nfs/dbraw/zinc/81/73/64/1295817364.db2.gz DTRFMSJOXRTCMV-UHFFFAOYSA-N 1 0 342.468 2.738 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H]3c4ccccc4C[C@H]3O)CC2)cc1 ZINC000305141918 1295940993 /nfs/dbraw/zinc/94/09/93/1295940993.db2.gz QKTUMDCCCARUDV-RTWAWAEBSA-N 1 0 338.451 2.912 20 10 EFCDRO CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(C)cccc1O)C2 ZINC001274301498 1296056231 /nfs/dbraw/zinc/05/62/31/1296056231.db2.gz QRVKQRLYXPGYLI-JXFKEZNVSA-N 1 0 346.471 2.550 20 10 EFCDRO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(C)cccc1O ZINC001274301832 1296057129 /nfs/dbraw/zinc/05/71/29/1296057129.db2.gz SPDWVTCBKOHHIZ-QRWLVFNGSA-N 1 0 344.455 2.635 20 10 EFCDRO Oc1cc2c(cc1CN1Cc3ccccc3C(F)(F)C1)C[NH2+]CCO2 ZINC001204854896 1313203806 /nfs/dbraw/zinc/20/38/06/1313203806.db2.gz WMSBNWXGCHTFJJ-UHFFFAOYSA-N 1 0 346.377 2.982 20 10 EFCDRO COC(=O)c1cc(C[N@@H+]2CCc3cccc(O)c3C2)ccc1OC ZINC001234978020 1313215775 /nfs/dbraw/zinc/21/57/75/1313215775.db2.gz VTFXDBJBAQIBIP-UHFFFAOYSA-N 1 0 327.380 2.746 20 10 EFCDRO Oc1c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cccc1-c1ccccc1 ZINC001234997086 1313218959 /nfs/dbraw/zinc/21/89/59/1313218959.db2.gz RKZATSHTNHWVKC-LJQANCHMSA-N 1 0 338.451 2.966 20 10 EFCDRO COC(=O)c1c(CN2CCC[C@]3(CC[NH2+]C3)C2)c2ccccc2n1C ZINC001234998350 1313219600 /nfs/dbraw/zinc/21/96/00/1313219600.db2.gz HXUCVZAPKLZMFO-HXUWFJFHSA-N 1 0 341.455 2.540 20 10 EFCDRO CC(C)(O)CN1CC[NH+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001235002042 1313220925 /nfs/dbraw/zinc/22/09/25/1313220925.db2.gz XKIISLFRMKYCFS-UHFFFAOYSA-N 1 0 340.467 2.948 20 10 EFCDRO OC1CCN(c2ccc(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2F)CC1 ZINC000305358483 1296162586 /nfs/dbraw/zinc/16/25/86/1296162586.db2.gz SMIFMJDVPFFWEK-IAGOWNOFSA-N 1 0 347.478 2.503 20 10 EFCDRO Oc1ccc(C(F)(F)F)cc1CN1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235020437 1313225714 /nfs/dbraw/zinc/22/57/14/1313225714.db2.gz DCCDWGMUEIBAQV-MRXNPFEDSA-N 1 0 344.377 2.613 20 10 EFCDRO Oc1ccc(C(F)(F)F)cc1CN1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235020432 1313226222 /nfs/dbraw/zinc/22/62/22/1313226222.db2.gz DCCDWGMUEIBAQV-INIZCTEOSA-N 1 0 344.377 2.613 20 10 EFCDRO CCOC(=O)c1c(CN2CC[C@]3(CC[NH2+]C3)C2)c2ccccc2n1C ZINC001235034507 1313228718 /nfs/dbraw/zinc/22/87/18/1313228718.db2.gz ZNLYJTOWOBCJGV-FQEVSTJZSA-N 1 0 341.455 2.540 20 10 EFCDRO COCCOCN1CCCC2(CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001275267340 1296246744 /nfs/dbraw/zinc/24/67/44/1296246744.db2.gz LYQWUTRNBVHSNX-UHFFFAOYSA-N 1 0 348.487 2.691 20 10 EFCDRO C[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2[O-])[C@H]1CO ZINC001235058246 1313233279 /nfs/dbraw/zinc/23/32/79/1313233279.db2.gz ZWCIDCWZCGSWGK-RNCFNFMXSA-N 1 0 332.213 2.887 20 10 EFCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCN(C(=O)NC(C)C)CC[C@@H]3C2)c1 ZINC001275313173 1296254926 /nfs/dbraw/zinc/25/49/26/1296254926.db2.gz CGKNSQNRLHNGDA-CALCHBBNSA-N 1 0 345.487 2.962 20 10 EFCDRO Oc1ccc(Cl)c(Cl)c1CN1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235023232 1313226728 /nfs/dbraw/zinc/22/67/28/1313226728.db2.gz SZVVUTCCCCTLHR-INIZCTEOSA-N 1 0 345.270 2.901 20 10 EFCDRO C[N@H+](Cc1ccncn1)Cc1cc(Br)cc(F)c1[O-] ZINC001235073722 1313236954 /nfs/dbraw/zinc/23/69/54/1313236954.db2.gz DFXZSYICCUXYLO-UHFFFAOYSA-N 1 0 326.169 2.716 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCN(c3cccc(O)c3)CC2)c(O)c1 ZINC001205123557 1313237248 /nfs/dbraw/zinc/23/72/48/1313237248.db2.gz QCBKOJZSXBWCHN-UHFFFAOYSA-N 1 0 328.412 2.737 20 10 EFCDRO CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001037276478 1296316109 /nfs/dbraw/zinc/31/61/09/1296316109.db2.gz HEYWKSLLHYXREX-DZGCQCFKSA-N 1 0 331.420 2.747 20 10 EFCDRO Oc1c(CN2CCCC[C@@]23CC[NH2+]C3)cc2c3c1CCCN3CCC2 ZINC001235116205 1313245164 /nfs/dbraw/zinc/24/51/64/1313245164.db2.gz LTFDOZGZFBIVPA-NRFANRHFSA-N 1 0 341.499 2.809 20 10 EFCDRO Oc1cc(CN2CCCC[C@]23CC[NH2+]C3)c(O)cc1Br ZINC001235130709 1313249397 /nfs/dbraw/zinc/24/93/97/1313249397.db2.gz WBSZSEFTMXWCEV-OAHLLOKOSA-N 1 0 341.249 2.578 20 10 EFCDRO COc1cc(N(C)C)ccc1CN1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001235222103 1313267639 /nfs/dbraw/zinc/26/76/39/1313267639.db2.gz XINHPVSNZOYCJL-VQTJNVASSA-N 1 0 337.467 2.832 20 10 EFCDRO CCOC(=O)c1c(CN2CC[C@H](C)[C@@H](C[NH3+])C2)c2ccccc2n1C ZINC001205317368 1313269000 /nfs/dbraw/zinc/26/90/00/1313269000.db2.gz OFYKXFYHCOXDGA-GJZGRUSLSA-N 1 0 343.471 2.772 20 10 EFCDRO CN(C)c1ccc(CN2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)c(Cl)c1 ZINC001235231909 1313270549 /nfs/dbraw/zinc/27/05/49/1313270549.db2.gz QVGWMUGEDGGBAY-WFASDCNBSA-N 1 0 347.812 2.990 20 10 EFCDRO CC(C)(C)c1cc(O)c(CN2CCO[C@H]3C[NH2+]CC[C@@H]32)cc1Cl ZINC001235235625 1313270715 /nfs/dbraw/zinc/27/07/15/1313270715.db2.gz OLPMWZSWISYDEA-RDJZCZTQSA-N 1 0 338.879 2.906 20 10 EFCDRO C[N@@H+]1C[C@H]2CCCN(Cc3cc(F)cc(Br)c3[O-])[C@@H]2C1 ZINC001235301075 1313285722 /nfs/dbraw/zinc/28/57/22/1313285722.db2.gz CJZFNNGJIHYQDG-QMTHXVAHSA-N 1 0 343.240 2.820 20 10 EFCDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc(F)cc(Br)c3[O-])C[C@H]21 ZINC001235305324 1313286688 /nfs/dbraw/zinc/28/66/88/1313286688.db2.gz LXCMTPLPJMJYAN-IINYFYTJSA-N 1 0 343.240 2.820 20 10 EFCDRO C[C@@H]1NCCC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000925574261 1296858064 /nfs/dbraw/zinc/85/80/64/1296858064.db2.gz CVRJQXXISLEWDQ-GUYCJALGSA-N 1 0 339.430 2.987 20 10 EFCDRO [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001205578602 1313316205 /nfs/dbraw/zinc/31/62/05/1313316205.db2.gz GREDRCGWOHTUDD-AWEZNQCLSA-N 1 0 349.219 2.947 20 10 EFCDRO CSC1CC([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000926557892 1296935351 /nfs/dbraw/zinc/93/53/51/1296935351.db2.gz AKTDHZBSCKOOJO-UHFFFAOYSA-N 1 0 328.428 2.785 20 10 EFCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205618112 1313323625 /nfs/dbraw/zinc/32/36/25/1313323625.db2.gz RNXDDSBDMNORDQ-OCCSQVGLSA-N 1 0 330.428 2.614 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2ccccc2S(C)(=O)=O)c1 ZINC000926908850 1296973392 /nfs/dbraw/zinc/97/33/92/1296973392.db2.gz VITMGXUOAOIYHR-AWEZNQCLSA-N 1 0 333.453 2.997 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccccc2S(C)(=O)=O)c1 ZINC000926908832 1296974654 /nfs/dbraw/zinc/97/46/54/1296974654.db2.gz VAMGMPWDHCBMJY-CYBMUJFWSA-N 1 0 349.452 2.698 20 10 EFCDRO CC(C)[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)CC[NH2+]1 ZINC001235475120 1313332207 /nfs/dbraw/zinc/33/22/07/1313332207.db2.gz MESJJBAOSGYEPO-SFHVURJKSA-N 1 0 337.895 2.606 20 10 EFCDRO [NH3+]C[C@H]1CN(Cc2cc(Br)ccc2O)CCC1(F)F ZINC001205762386 1313352245 /nfs/dbraw/zinc/35/22/45/1313352245.db2.gz LTCVFMFIKGSPPN-JTQLQIEISA-N 1 0 335.192 2.571 20 10 EFCDRO CC(C)[N@@H+]1CCC[C@]2(CC(=O)N(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001273924229 1297208678 /nfs/dbraw/zinc/20/86/78/1297208678.db2.gz GMIMOPXKQIPAPI-FQEVSTJZSA-N 1 0 343.471 2.502 20 10 EFCDRO CC(C)[NH+]1CCC2(C[C@H]2C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC001273924109 1297208982 /nfs/dbraw/zinc/20/89/82/1297208982.db2.gz GJGJUZWZHLXYAM-SFHVURJKSA-N 1 0 329.488 2.879 20 10 EFCDRO [NH3+]C[C@@H]1CN(Cc2c(O)cccc2OC(F)(F)F)CCC1(F)F ZINC001205788894 1313356245 /nfs/dbraw/zinc/35/62/45/1313356245.db2.gz SUEQLFGKSDKKDC-SECBINFHSA-N 1 0 340.292 2.707 20 10 EFCDRO C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000776242607 1297243541 /nfs/dbraw/zinc/24/35/41/1297243541.db2.gz AAYDCSWTYWUNIR-WDYCEAGBSA-N 1 0 344.503 2.939 20 10 EFCDRO COc1cc(O)c(CN2C[C@H](C)CC[C@H]2C[NH3+])cc1Br ZINC001205838092 1313363859 /nfs/dbraw/zinc/36/38/59/1313363859.db2.gz AOYREVXRZAQFJH-PWSUYJOCSA-N 1 0 343.265 2.723 20 10 EFCDRO C[C@@H](CCO)C1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000776256915 1297287929 /nfs/dbraw/zinc/28/79/29/1297287929.db2.gz HLDYXGHWRDLUNS-KRWDZBQOSA-N 1 0 332.488 2.802 20 10 EFCDRO C[C@H]1CC[C@@H](C[NH3+])N(Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001205856508 1313366929 /nfs/dbraw/zinc/36/69/29/1313366929.db2.gz WERVANLGOFPINB-AAEUAGOBSA-N 1 0 332.366 2.893 20 10 EFCDRO Cc1ccc(O[C@@H]2C[C@@H]3CN(Cc4ccc(N)cc4)CC[N@@H+]3C2)cc1 ZINC001235661559 1313368910 /nfs/dbraw/zinc/36/89/10/1313368910.db2.gz ONOMPSRUZGJOEU-TZIWHRDSSA-N 1 0 337.467 2.915 20 10 EFCDRO CCNC(=O)COC1CC[NH+](Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235678591 1313373464 /nfs/dbraw/zinc/37/34/64/1313373464.db2.gz CLQJUFHJVNIVTH-UHFFFAOYSA-N 1 0 348.487 2.807 20 10 EFCDRO COc1cc(C)c(CN2CC[NH2+]C[C@H]2c2ccccc2F)c(O)c1 ZINC001235754659 1313388332 /nfs/dbraw/zinc/38/83/32/1313388332.db2.gz WOYNRQOMLMSTMH-SFHVURJKSA-N 1 0 330.403 2.995 20 10 EFCDRO CCOC(=O)c1c(CN2CC[NH2+]C[C@H]2CC)c2ccccc2n1C ZINC001235774692 1313391744 /nfs/dbraw/zinc/39/17/44/1313391744.db2.gz SRGWZVOOXLGVOD-CQSZACIVSA-N 1 0 329.444 2.539 20 10 EFCDRO COCCCN(Cc1ccc(N(C)C)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC001235804461 1313400374 /nfs/dbraw/zinc/40/03/74/1313400374.db2.gz DMVFUIZHDHHLBF-KRWDZBQOSA-N 1 0 339.911 2.997 20 10 EFCDRO COCCCN(Cc1cc(Cl)c(C)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001235808321 1313402306 /nfs/dbraw/zinc/40/23/06/1313402306.db2.gz ZWFJNCGNOXOUBJ-OAHLLOKOSA-N 1 0 326.868 2.945 20 10 EFCDRO Oc1cc(O)c(CN2CC[NH2+]C[C@@H]2Cc2ccccc2)cc1Cl ZINC001235849806 1313409078 /nfs/dbraw/zinc/40/90/78/1313409078.db2.gz NZBKFFVKRKHSSS-HNNXBMFYSA-N 1 0 332.831 2.768 20 10 EFCDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(O)c1O)Cc1ccccc1 ZINC000776329905 1297695779 /nfs/dbraw/zinc/69/57/79/1297695779.db2.gz HLRDYFXXDXNHHR-INIZCTEOSA-N 1 0 342.439 2.781 20 10 EFCDRO Oc1cc(F)c(F)cc1CN1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236008249 1313430938 /nfs/dbraw/zinc/43/09/38/1313430938.db2.gz CUIWVIZIKSMZGY-BEFAXECRSA-N 1 0 330.378 2.643 20 10 EFCDRO Oc1ccc(F)c(F)c1CN1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236011170 1313431426 /nfs/dbraw/zinc/43/14/26/1313431426.db2.gz UEBXEOPKVHROEZ-KUHUBIRLSA-N 1 0 330.378 2.643 20 10 EFCDRO COc1cc(N(C)C)ccc1CN1CC[NH2+]C[C@@H]1c1cccs1 ZINC001236116705 1313442806 /nfs/dbraw/zinc/44/28/06/1313442806.db2.gz NFXZVXXFMWNXIV-MRXNPFEDSA-N 1 0 331.485 2.969 20 10 EFCDRO Cc1cc(Br)cc(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1O ZINC001206376444 1313444679 /nfs/dbraw/zinc/44/46/79/1313444679.db2.gz GZONGYWWLLGPKR-SWLSCSKDSA-N 1 0 339.277 2.989 20 10 EFCDRO CCCC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2F)CC[NH2+]1 ZINC001236137533 1313445655 /nfs/dbraw/zinc/44/56/55/1313445655.db2.gz MWVYIXQBOKFMRK-QGZVFWFLSA-N 1 0 335.467 2.626 20 10 EFCDRO COc1cc(Br)cc(CN(C)[C@@]2(C)CCC[NH2+]C2)c1O ZINC001236200036 1313455097 /nfs/dbraw/zinc/45/50/97/1313455097.db2.gz HSYWWKSKHPBVFM-HNNXBMFYSA-N 1 0 343.265 2.737 20 10 EFCDRO OCC[C@@H]([NH2+]Cc1ccc(Br)cc1O)c1ccco1 ZINC000825535726 1298022194 /nfs/dbraw/zinc/02/21/94/1298022194.db2.gz BQYAOVSFMKCGOP-GFCCVEGCSA-N 1 0 326.190 2.961 20 10 EFCDRO C[N@H+](Cc1cc(Br)cc(F)c1[O-])[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236212955 1313456795 /nfs/dbraw/zinc/45/67/95/1313456795.db2.gz ANJBFNPYPJRPRK-QWHCGFSZSA-N 1 0 331.229 2.996 20 10 EFCDRO COc1cc(O)c(CN(C)[C@H]2CCCC[C@H]2[NH3+])c(Br)c1 ZINC001236218060 1313457236 /nfs/dbraw/zinc/45/72/36/1313457236.db2.gz RHJYNBXHBADNNY-KGLIPLIRSA-N 1 0 343.265 2.865 20 10 EFCDRO C[N@H+](CC1CC1)C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000961051819 1298076971 /nfs/dbraw/zinc/07/69/71/1298076971.db2.gz XGOYBQJDYAPQPB-MRXNPFEDSA-N 1 0 343.431 2.795 20 10 EFCDRO Clc1cc(CN(C2CC2)[C@H]2CCC[NH2+]C2)ccc1N1CCOCC1 ZINC001236239917 1313459661 /nfs/dbraw/zinc/45/96/61/1313459661.db2.gz JCCAJBRCACVGFQ-KRWDZBQOSA-N 1 0 349.906 2.893 20 10 EFCDRO Oc1ccc2cc(Br)ccc2c1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236297842 1313466340 /nfs/dbraw/zinc/46/63/40/1313466340.db2.gz TXASWUSUIVLEJI-ABAIWWIYSA-N 1 0 333.229 2.712 20 10 EFCDRO [O-]c1c(Br)cc(F)cc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321956 1313469021 /nfs/dbraw/zinc/46/90/21/1313469021.db2.gz XOJVIGMDPBAMKT-PHIMTYICSA-N 1 0 343.240 2.725 20 10 EFCDRO COCCN(Cc1cccc(C(F)(F)F)c1O)[C@@H]1CCC[NH2+]C1 ZINC001236332939 1313471376 /nfs/dbraw/zinc/47/13/76/1313471376.db2.gz UVPGGAFKZMKHHL-CYBMUJFWSA-N 1 0 332.366 2.611 20 10 EFCDRO O=C(NCCC[NH+]1CCCCC1)NCc1ccc(N2CCCC2)cc1 ZINC000077714336 1298199304 /nfs/dbraw/zinc/19/93/04/1298199304.db2.gz DUKYVMKKDDSJTN-UHFFFAOYSA-N 1 0 344.503 2.962 20 10 EFCDRO Nc1cc(Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)cc[nH+]1 ZINC001206562074 1313476823 /nfs/dbraw/zinc/47/68/23/1313476823.db2.gz XKWSBSJTZDCBIT-UHFFFAOYSA-N 1 0 331.331 2.888 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2CCC[C@@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC001236666907 1313505942 /nfs/dbraw/zinc/50/59/42/1313505942.db2.gz XKFNJVBEITYWGF-DOMZBBRYSA-N 1 0 339.277 2.989 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2C[C@H]3[C@H](C2)CCC[N@H+]3C)c1 ZINC001236668660 1313506798 /nfs/dbraw/zinc/50/67/98/1313506798.db2.gz DJCZDRKOQYXPCO-WFASDCNBSA-N 1 0 339.277 2.989 20 10 EFCDRO CCO[C@@H]1CC[N@H+](Cc2cc(OC)c(Br)cc2O)C1 ZINC001236749496 1313521828 /nfs/dbraw/zinc/52/18/28/1313521828.db2.gz CRPMFFPHXAVDGS-LLVKDONJSA-N 1 0 330.222 2.774 20 10 EFCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)[C@@H]1C ZINC001236751442 1313522228 /nfs/dbraw/zinc/52/22/28/1313522228.db2.gz DKZJZNKVNMDVOG-OCCSQVGLSA-N 1 0 337.416 2.573 20 10 EFCDRO CCCCN(CC(=O)OCC)Cc1cc(OC)c(OC)cc1O ZINC001236758094 1313522763 /nfs/dbraw/zinc/52/27/63/1313522763.db2.gz WIRHGYIFJZHVBD-UHFFFAOYSA-N 1 0 325.405 2.575 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(Oc3ccccn3)CC2)cc1OC ZINC001236756070 1313522937 /nfs/dbraw/zinc/52/29/37/1313522937.db2.gz HSYRHUINVLYFLP-UHFFFAOYSA-N 1 0 344.411 2.848 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3cccnc3)C2)cc1OC ZINC001236756145 1313523045 /nfs/dbraw/zinc/52/30/45/1313523045.db2.gz JQUUVIRIRKURAU-INIZCTEOSA-N 1 0 344.411 2.848 20 10 EFCDRO COc1cc(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c(O)cc1Br ZINC001236755163 1313523136 /nfs/dbraw/zinc/52/31/36/1313523136.db2.gz ZRGPZANGUSFADG-PHIMTYICSA-N 1 0 343.265 2.688 20 10 EFCDRO COc1cc(C[NH+]2CCC3(CCO3)CC2)c(O)cc1Br ZINC001236756043 1313523281 /nfs/dbraw/zinc/52/32/81/1313523281.db2.gz HSAVYTOPXAMGSU-UHFFFAOYSA-N 1 0 342.233 2.918 20 10 EFCDRO Oc1cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c(O)cc1Br ZINC001236766448 1313524440 /nfs/dbraw/zinc/52/44/40/1313524440.db2.gz HBCUTHADISGZRX-OAHLLOKOSA-N 1 0 342.233 2.863 20 10 EFCDRO Oc1cc(C[NH+]2CCC3(CCO3)CC2)c(O)cc1Br ZINC001236771356 1313525102 /nfs/dbraw/zinc/52/51/02/1313525102.db2.gz PLGHCVACXKOHIQ-UHFFFAOYSA-N 1 0 328.206 2.615 20 10 EFCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236779069 1313527450 /nfs/dbraw/zinc/52/74/50/1313527450.db2.gz OWJDWKQECSVMIH-INIZCTEOSA-N 1 0 341.407 2.966 20 10 EFCDRO CCN(CC(=O)OC)Cc1cc(OCc2ccccc2)ccc1O ZINC001236782197 1313527865 /nfs/dbraw/zinc/52/78/65/1313527865.db2.gz KCKZXZYRIVQDME-UHFFFAOYSA-N 1 0 329.396 2.966 20 10 EFCDRO OC[C@@]1(F)CC[N@H+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236778665 1313527873 /nfs/dbraw/zinc/52/78/73/1313527873.db2.gz KSUQQJOKTIHKTE-LJQANCHMSA-N 1 0 331.387 2.878 20 10 EFCDRO Oc1ccc(OCc2ccccc2)cc1C[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001236778698 1313528044 /nfs/dbraw/zinc/52/80/44/1313528044.db2.gz LXASQCHHOLEHFM-HKUYNNGSSA-N 1 0 331.387 2.876 20 10 EFCDRO CCc1ccc(C[N@H+]2C[C@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c(O)c1 ZINC001236787347 1313528341 /nfs/dbraw/zinc/52/83/41/1313528341.db2.gz LITXBMPWNWJGMZ-CALCHBBNSA-N 1 0 340.423 2.752 20 10 EFCDRO CCc1ccc(C[N@@H+]2CC[C@H]3C[C@H](c4nc(C)no4)O[C@@H]3C2)c(O)c1 ZINC001236784926 1313528649 /nfs/dbraw/zinc/52/86/49/1313528649.db2.gz DDRXJNVHDFAJBI-BMGDILEWSA-N 1 0 343.427 2.998 20 10 EFCDRO CCc1ccc(C[NH+]2CCC(Oc3ncc(OC)cn3)CC2)c(O)c1 ZINC001236789373 1313529164 /nfs/dbraw/zinc/52/91/64/1313529164.db2.gz VZANOYBSJNRSOP-UHFFFAOYSA-N 1 0 343.427 2.797 20 10 EFCDRO CCOC(=O)C1CC[NH+](Cc2c(O)cc(OC)cc2Cl)CC1 ZINC001236796482 1313530319 /nfs/dbraw/zinc/53/03/19/1313530319.db2.gz WKMVYFPSMOBQOC-UHFFFAOYSA-N 1 0 327.808 2.829 20 10 EFCDRO CCc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NC(=O)OC(C)(C)C)c(O)c1 ZINC001236793535 1313530688 /nfs/dbraw/zinc/53/06/88/1313530688.db2.gz YGBGOZGVQQMUKB-HNNXBMFYSA-N 1 0 348.443 2.970 20 10 EFCDRO CC(C)(O)C[NH+]1CCN(Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001236803804 1313532590 /nfs/dbraw/zinc/53/25/90/1313532590.db2.gz PEIUBXSXNAQXHZ-UHFFFAOYSA-N 1 0 333.259 2.588 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC001236807720 1313532967 /nfs/dbraw/zinc/53/29/67/1313532967.db2.gz KEPNIJDMMQGUDT-HNNXBMFYSA-N 1 0 333.350 2.989 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1 ZINC001236807656 1313533215 /nfs/dbraw/zinc/53/32/15/1313533215.db2.gz HVFASWXQFGXPKW-SCAQPMJSSA-N 1 0 348.443 2.664 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCN3C(=O)c4ccccc4[C@H]3C2)c(O)c1 ZINC001236807317 1313533269 /nfs/dbraw/zinc/53/32/69/1313533269.db2.gz FQTSYJCQONFLPN-GOSISDBHSA-N 1 0 338.407 2.722 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3cnccn3)C2)c(Cl)c1 ZINC001236806570 1313533288 /nfs/dbraw/zinc/53/32/88/1313533288.db2.gz YNLXQHLRRQQXEY-GFCCVEGCSA-N 1 0 349.818 2.888 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)c(O)c1 ZINC001236810374 1313534190 /nfs/dbraw/zinc/53/41/90/1313534190.db2.gz DYCDBMQWGWNTDK-UHFFFAOYSA-N 1 0 344.411 2.650 20 10 EFCDRO CCN1CC[C@]2(CCC[N@H+](Cc3c(C)cc(OC)cc3O)C2)C1=O ZINC001236812313 1313534916 /nfs/dbraw/zinc/53/49/16/1313534916.db2.gz ZAANWQGBXAGAAI-IBGZPJMESA-N 1 0 332.444 2.544 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCC(N3CCCOC3=O)CC2)c(O)c1 ZINC001236812660 1313535411 /nfs/dbraw/zinc/53/54/11/1313535411.db2.gz CTXOUPMFQYYAMT-UHFFFAOYSA-N 1 0 334.416 2.516 20 10 EFCDRO CCOc1cncc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC001236838616 1313540216 /nfs/dbraw/zinc/54/02/16/1313540216.db2.gz NAMIAMWSUCCKDY-UHFFFAOYSA-N 1 0 341.455 2.949 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3ccco3)C2)cc1C ZINC000961484913 1298786719 /nfs/dbraw/zinc/78/67/19/1298786719.db2.gz AFLDYFTYKIDKNQ-UHFFFAOYSA-N 1 0 328.412 2.895 20 10 EFCDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236920384 1313553856 /nfs/dbraw/zinc/55/38/56/1313553856.db2.gz FYPUMNSXQPNQSR-QGZVFWFLSA-N 1 0 337.895 2.703 20 10 EFCDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236920382 1313553860 /nfs/dbraw/zinc/55/38/60/1313553860.db2.gz FYPUMNSXQPNQSR-KRWDZBQOSA-N 1 0 337.895 2.703 20 10 EFCDRO C[NH+](C)CCN(Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC001236925028 1313554069 /nfs/dbraw/zinc/55/40/69/1313554069.db2.gz VWGLHNNZKBUIGA-CQSZACIVSA-N 1 0 346.302 2.815 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC[C@@]1(C)O ZINC001236924041 1313554268 /nfs/dbraw/zinc/55/42/68/1313554268.db2.gz JROAHGGZUDVPQP-KBXCAEBGSA-N 1 0 338.879 2.769 20 10 EFCDRO C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1O)CC1(CO)COC1 ZINC000305780261 1298829096 /nfs/dbraw/zinc/82/90/96/1298829096.db2.gz NZMDMHLQFOBDFB-INIZCTEOSA-N 1 0 327.424 2.964 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CCC[C@H]1O ZINC001236924010 1313554409 /nfs/dbraw/zinc/55/44/09/1313554409.db2.gz JHVOURLYHTWPBQ-RDTXWAMCSA-N 1 0 338.879 2.769 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)c(F)c2)CC1 ZINC001236929265 1313555316 /nfs/dbraw/zinc/55/53/16/1313555316.db2.gz CWULUNDCOHNOHM-PXNSSMCTSA-N 1 0 347.478 2.578 20 10 EFCDRO CN(Cc1cccnc1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236930865 1313556166 /nfs/dbraw/zinc/55/61/66/1313556166.db2.gz GOFRPYZYEXBQEI-UHFFFAOYSA-N 1 0 328.435 2.605 20 10 EFCDRO C[NH+](C)CCN(Cc1c(O)ccc(Cl)c1Cl)[C@H]1CCC[NH2+]C1 ZINC001236931880 1313556355 /nfs/dbraw/zinc/55/63/55/1313556355.db2.gz JVKZABQOEZINCD-LBPRGKRZSA-N 1 0 346.302 2.815 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN3CC(F)(F)C[C@H]3CF)c(F)c2)CC1 ZINC001236935285 1313557230 /nfs/dbraw/zinc/55/72/30/1313557230.db2.gz HRQPJUANELJYBS-HNNXBMFYSA-N 1 0 345.384 2.757 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN3CCc4ncsc4C3)c(F)c2)CC1 ZINC001236938803 1313557538 /nfs/dbraw/zinc/55/75/38/1313557538.db2.gz NWKALWMYXNREAB-UHFFFAOYSA-N 1 0 346.475 2.592 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN3CC[C@H](C(F)(F)F)C3)c(F)c2)CC1 ZINC001236938863 1313557582 /nfs/dbraw/zinc/55/75/82/1313557582.db2.gz OMUBNCMENUIOCI-AWEZNQCLSA-N 1 0 345.384 2.962 20 10 EFCDRO COCCCN(Cc1ccc(N(C)C)cc1Cl)[C@H]1CC[NH2+]C1 ZINC001236944633 1313557895 /nfs/dbraw/zinc/55/78/95/1313557895.db2.gz CSCMSBCPXSMGBD-INIZCTEOSA-N 1 0 325.884 2.606 20 10 EFCDRO CC(=O)[C@@H]1CCCCN1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236941973 1313558059 /nfs/dbraw/zinc/55/80/59/1313558059.db2.gz HZCUWLXPNXAGPV-IBGZPJMESA-N 1 0 333.451 2.521 20 10 EFCDRO Cc1ncccc1CN(C)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236945502 1313558706 /nfs/dbraw/zinc/55/87/06/1313558706.db2.gz JDLFNYGGQQDLPP-UHFFFAOYSA-N 1 0 342.462 2.913 20 10 EFCDRO COCCCN(Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@@H]1CC[NH2+]C1 ZINC001236951508 1313559742 /nfs/dbraw/zinc/55/97/42/1313559742.db2.gz XKDJITYLTGDEFX-MRXNPFEDSA-N 1 0 346.471 2.777 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)C[C@H]3CCCO3)C2)cc1C ZINC000961593320 1298919687 /nfs/dbraw/zinc/91/96/87/1298919687.db2.gz ZGSVNRQKKANVDI-DAWZGUTISA-N 1 0 346.471 2.557 20 10 EFCDRO Oc1ccc(C(F)(F)F)cc1CN1CC[NH2+]C[C@H]1C(F)(F)F ZINC001236983825 1313566568 /nfs/dbraw/zinc/56/65/68/1313566568.db2.gz WUFHJEKEVYGHCF-NSHDSACASA-N 1 0 328.256 2.747 20 10 EFCDRO CC(C)C[NH2+]CC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001206962100 1313572758 /nfs/dbraw/zinc/57/27/58/1313572758.db2.gz YCJBTQULIGQSDZ-UHFFFAOYSA-N 1 0 345.447 2.947 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCCN(c3ccccn3)CC2)c(O)c1 ZINC001237040286 1313573428 /nfs/dbraw/zinc/57/34/28/1313573428.db2.gz BJVIXTLXSRHQTL-UHFFFAOYSA-N 1 0 327.428 2.898 20 10 EFCDRO CCOc1ccc(C[NH+]2CCN(c3cccc(OC)n3)CC2)c(O)c1 ZINC001237043820 1313573931 /nfs/dbraw/zinc/57/39/31/1313573931.db2.gz CODWLAWBIVSPRR-UHFFFAOYSA-N 1 0 343.427 2.517 20 10 EFCDRO CCOc1ccc(C[NH+]2CCN(c3ncccc3OC)CC2)c(O)c1 ZINC001237045243 1313574011 /nfs/dbraw/zinc/57/40/11/1313574011.db2.gz DWHWIZWOARRRNQ-UHFFFAOYSA-N 1 0 343.427 2.517 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3nccnc3C)C2)c(O)c1 ZINC001237047967 1313575049 /nfs/dbraw/zinc/57/50/49/1313575049.db2.gz ODMYEZPQFOGKBC-QGZVFWFLSA-N 1 0 343.427 2.933 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)N(CC)CC)C2)c(O)c1 ZINC001237046158 1313575322 /nfs/dbraw/zinc/57/53/22/1313575322.db2.gz YIAOAAQFMKMXJU-INIZCTEOSA-N 1 0 334.460 2.871 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccn3)C2)c(O)c1 ZINC001237046497 1313575344 /nfs/dbraw/zinc/57/53/44/1313575344.db2.gz DCIASTRWRNWYFP-INIZCTEOSA-N 1 0 329.400 2.624 20 10 EFCDRO CCOc1ccc(CN2CC[C@@](O)(C(F)(F)F)[C@@H](F)C2)c(O)c1 ZINC001237049436 1313575958 /nfs/dbraw/zinc/57/59/58/1313575958.db2.gz FOJMZRWVWZWOGP-KBPBESRZSA-N 1 0 337.313 2.628 20 10 EFCDRO Oc1c(CN2CCN[C@@H](C(F)(F)F)C2)cccc1C(F)(F)F ZINC001236994245 1313568196 /nfs/dbraw/zinc/56/81/96/1313568196.db2.gz ACCLPFKOUBBNSF-SNVBAGLBSA-N 1 0 328.256 2.747 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(CCOC3)C2)c(Br)c1 ZINC001237064793 1313579984 /nfs/dbraw/zinc/57/99/84/1313579984.db2.gz JQTULIFNBPQXOI-HNNXBMFYSA-N 1 0 342.233 2.776 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085366475 1299016173 /nfs/dbraw/zinc/01/61/73/1299016173.db2.gz RSCPWDZMFBJAQD-HNNXBMFYSA-N 1 0 334.508 2.837 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2CO)c(Br)c1 ZINC001237063538 1313580122 /nfs/dbraw/zinc/58/01/22/1313580122.db2.gz TWGFHADSNPGXNN-JTQLQIEISA-N 1 0 330.222 2.510 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)C2CCOCC2)c(Br)c1 ZINC001237063407 1313580174 /nfs/dbraw/zinc/58/01/74/1313580174.db2.gz PZGUSIKYJSZYJL-UHFFFAOYSA-N 1 0 330.222 2.774 20 10 EFCDRO COC[C@H]1CC[N@H+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001237066020 1313580765 /nfs/dbraw/zinc/58/07/65/1313580765.db2.gz SPNQNPWKLGIQQC-JTQLQIEISA-N 1 0 330.222 2.632 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2C[C@H](O)CC[C@H]2C)c(Br)c1 ZINC001237066443 1313581307 /nfs/dbraw/zinc/58/13/07/1313581307.db2.gz VUSIVDBACHGZHA-NXEZZACHSA-N 1 0 330.222 2.509 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](O)C[C@H]2C)c(Br)c1 ZINC001237072805 1313581634 /nfs/dbraw/zinc/58/16/34/1313581634.db2.gz KEMNNVOJCMFXNC-ZJUUUORDSA-N 1 0 330.222 2.509 20 10 EFCDRO COc1cc(O)c(C[N@H+](CCCO)C(C)C)c(Br)c1 ZINC001237072374 1313582034 /nfs/dbraw/zinc/58/20/34/1313582034.db2.gz FKTLYZBOMDFEPM-UHFFFAOYSA-N 1 0 332.238 2.756 20 10 EFCDRO COc1cc(O)c(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c(Br)c1 ZINC001237073784 1313583092 /nfs/dbraw/zinc/58/30/92/1313583092.db2.gz VFAWZFGJWOUEGN-PHIMTYICSA-N 1 0 343.265 2.688 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](CCO)C2)c(Br)c1 ZINC001237073592 1313583449 /nfs/dbraw/zinc/58/34/49/1313583449.db2.gz SYSOHHVPCCBXOS-NSHDSACASA-N 1 0 344.249 2.758 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@H]3CCCCO3)C2)cc1C ZINC000961718040 1299050935 /nfs/dbraw/zinc/05/09/35/1299050935.db2.gz AXYFFGZQWYEMMS-FAFZWHIHSA-N 1 0 346.471 2.557 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(OC)cn3)C2)c(O)c1 ZINC001237048894 1313576386 /nfs/dbraw/zinc/57/63/86/1313576386.db2.gz ZNDVRYAKULGSJO-QGZVFWFLSA-N 1 0 344.411 2.848 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](Oc3ncc(C)cn3)C2)c(O)c1 ZINC001237048877 1313576423 /nfs/dbraw/zinc/57/64/23/1313576423.db2.gz YYQBSHCJNRRSIM-KRWDZBQOSA-N 1 0 343.427 2.933 20 10 EFCDRO COC[C@@H]1C[N@H+](Cc2ccc(C(C)C)cc2O)Cc2cn(C)nc21 ZINC001237051624 1313576944 /nfs/dbraw/zinc/57/69/44/1313576944.db2.gz NOTNQVFOYUAYHP-KRWDZBQOSA-N 1 0 329.444 2.995 20 10 EFCDRO COc1cnc(O[C@@H]2CC[N@H+](Cc3ccc(C(C)C)cc3O)C2)nc1 ZINC001237050869 1313577028 /nfs/dbraw/zinc/57/70/28/1313577028.db2.gz FEERKPUOZLVQFH-MRXNPFEDSA-N 1 0 343.427 2.968 20 10 EFCDRO CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3O)CC[C@H]21 ZINC001237051048 1313577294 /nfs/dbraw/zinc/57/72/94/1313577294.db2.gz IJLODCJNAMUOSF-QUCCMNQESA-N 1 0 346.471 2.727 20 10 EFCDRO CCNC(=O)COC1CC[NH+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237051682 1313577330 /nfs/dbraw/zinc/57/73/30/1313577330.db2.gz QEHKPDMXYJJSCR-UHFFFAOYSA-N 1 0 334.460 2.633 20 10 EFCDRO OCC[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237055558 1313577616 /nfs/dbraw/zinc/57/76/16/1313577616.db2.gz FWVGJZISMUFJCI-GFCCVEGCSA-N 1 0 333.350 2.928 20 10 EFCDRO CC(C)c1ccc(CN2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c(O)c1 ZINC001237053873 1313577645 /nfs/dbraw/zinc/57/76/45/1313577645.db2.gz PBSMMPHEEKIRLF-KDURUIRLSA-N 1 0 330.472 2.811 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001237053851 1313578086 /nfs/dbraw/zinc/57/80/86/1313578086.db2.gz RGMJKIOKMQIRDU-OLZOCXBDSA-N 1 0 331.334 2.802 20 10 EFCDRO C[N@@H+]1C[C@H]2CCCN(Cc3ccc(OCC(F)(F)F)cc3O)[C@H]2C1 ZINC001237056584 1313578119 /nfs/dbraw/zinc/57/81/19/1313578119.db2.gz MQDJSYPCOCUOSB-DOMZBBRYSA-N 1 0 344.377 2.859 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC001237059954 1313578577 /nfs/dbraw/zinc/57/85/77/1313578577.db2.gz RAWYDSWHLUMIRF-UHFFFAOYSA-N 1 0 347.333 2.672 20 10 EFCDRO CC[N@@H+]1CCCN(Cc2c(O)cc(OC)cc2Br)CC1 ZINC001237062128 1313579597 /nfs/dbraw/zinc/57/95/97/1313579597.db2.gz KHYBBGLALLZREF-UHFFFAOYSA-N 1 0 343.265 2.691 20 10 EFCDRO COC[C@@H]1CCC[N@@H+]1Cc1c(O)cc(OC)cc1Br ZINC001237061715 1313579700 /nfs/dbraw/zinc/57/97/00/1313579700.db2.gz HEKCNZGMEYJUHL-JTQLQIEISA-N 1 0 330.222 2.774 20 10 EFCDRO C[N@@H+]1CCC[C@H]2CN(Cc3c(O)cccc3OC(F)(F)F)C[C@@H]21 ZINC001237114871 1313588155 /nfs/dbraw/zinc/58/81/55/1313588155.db2.gz NZGLOEYXVRPYOD-AAEUAGOBSA-N 1 0 330.350 2.817 20 10 EFCDRO CCN(CC)c1ccc(CN2CC(F)(F)C[C@H]2C[NH3+])c(OC)c1 ZINC001237116903 1313588938 /nfs/dbraw/zinc/58/89/38/1313588938.db2.gz DWZOUYDNQWYMOW-HNNXBMFYSA-N 1 0 327.419 2.710 20 10 EFCDRO CC[NH+](CC)CCN1CCN(Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237119883 1313589460 /nfs/dbraw/zinc/58/94/60/1313589460.db2.gz HDBISLKXUJLTGA-UHFFFAOYSA-N 1 0 343.874 2.644 20 10 EFCDRO COCCN(Cc1c(O)ccc(F)c1Cl)C1CC[NH+](C)CC1 ZINC001237124000 1313590499 /nfs/dbraw/zinc/59/04/99/1313590499.db2.gz IPFUPWLYFXKZBT-UHFFFAOYSA-N 1 0 330.831 2.727 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001237121801 1313590945 /nfs/dbraw/zinc/59/09/45/1313590945.db2.gz ZPYZIMQVLLKBQR-CQSZACIVSA-N 1 0 337.313 2.977 20 10 EFCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3c(O)ccc(F)c3Cl)CC[C@@H]21 ZINC001237129042 1313591592 /nfs/dbraw/zinc/59/15/92/1313591592.db2.gz UDZMPDRMLCBTAQ-GWCFXTLKSA-N 1 0 326.799 2.627 20 10 EFCDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001096640623 1313594034 /nfs/dbraw/zinc/59/40/34/1313594034.db2.gz ABKHEBXBFDBISE-ILXRZTDVSA-N 1 0 329.404 2.593 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3ccns3)C2)cc1C ZINC000961891108 1299210876 /nfs/dbraw/zinc/21/08/76/1299210876.db2.gz BKJKRFAYRZXRDB-UHFFFAOYSA-N 1 0 345.468 2.758 20 10 EFCDRO COCCOc1ccc(N2CCN(Cc3cnc(C)s3)CC2)cc1 ZINC001207063379 1313604143 /nfs/dbraw/zinc/60/41/43/1313604143.db2.gz VXEKETLBKCHTBX-UHFFFAOYSA-N 1 0 347.484 2.799 20 10 EFCDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237202739 1313604941 /nfs/dbraw/zinc/60/49/41/1313604941.db2.gz KCTWFPVHVZBLPP-HOTGVXAUSA-N 1 0 336.501 2.684 20 10 EFCDRO CCC[N@@H+](Cc1ccc(N2CCS(=O)(=O)CC2)cc1)CC1CC1 ZINC001237202415 1313605292 /nfs/dbraw/zinc/60/52/92/1313605292.db2.gz GQQLRLVIIRSLJS-UHFFFAOYSA-N 1 0 336.501 2.543 20 10 EFCDRO O=S1(=O)CCN(c2ccc(C[NH+]3C4CCCC3CCC4)cc2)CC1 ZINC001237218210 1313607957 /nfs/dbraw/zinc/60/79/57/1313607957.db2.gz FDDQUHRVKITEFJ-UHFFFAOYSA-N 1 0 348.512 2.828 20 10 EFCDRO CCOc1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccccc2O)cc1 ZINC000109770977 1299338300 /nfs/dbraw/zinc/33/83/00/1299338300.db2.gz KSCGGJRGCQYSKD-UHFFFAOYSA-N 1 0 342.439 2.881 20 10 EFCDRO COCCOCN1CC2(C1)CCC[N@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001276366060 1299339003 /nfs/dbraw/zinc/33/90/03/1299339003.db2.gz YEXHOARYRWZMRA-UHFFFAOYSA-N 1 0 348.487 2.527 20 10 EFCDRO COc1ccc(CN2CC[C@H]([N@H+](C)Cc3ccccc3O)C2=O)cc1 ZINC000851840415 1299427816 /nfs/dbraw/zinc/42/78/16/1299427816.db2.gz GIMNKYZANZNJAX-SFHVURJKSA-N 1 0 340.423 2.634 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3conc3C)C2)cc1C ZINC000962255334 1299520144 /nfs/dbraw/zinc/52/01/44/1299520144.db2.gz YGUANANVDZZTRR-UHFFFAOYSA-N 1 0 343.427 2.598 20 10 EFCDRO COC1CCN(c2ccc(CN3CCn4cncc4C3)cc2)CC1 ZINC000852067432 1299533830 /nfs/dbraw/zinc/53/38/30/1299533830.db2.gz YCSBBKUCWWMCSG-UHFFFAOYSA-N 1 0 326.444 2.514 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC3(Cc4ccccc4N3)CC2)cc1O ZINC001237346555 1313629242 /nfs/dbraw/zinc/62/92/42/1313629242.db2.gz UBOARGBLYVBUQF-UHFFFAOYSA-N 1 0 326.396 2.806 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)CCc2nc(C(C)=O)c(C)[nH]2)cc1 ZINC000852210804 1299598514 /nfs/dbraw/zinc/59/85/14/1299598514.db2.gz BAHRTMXIBSFIKC-UHFFFAOYSA-N 1 0 344.459 2.540 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1F ZINC000852465264 1299713495 /nfs/dbraw/zinc/71/34/95/1299713495.db2.gz DCHONCLUFJZQEK-CQSZACIVSA-N 1 0 336.455 2.564 20 10 EFCDRO COC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2cc(C)ccc2O)c1 ZINC001237443122 1313645306 /nfs/dbraw/zinc/64/53/06/1313645306.db2.gz JATNOQXEUFFVAM-GOSISDBHSA-N 1 0 340.423 2.634 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000852603196 1299778680 /nfs/dbraw/zinc/77/86/80/1299778680.db2.gz KKNDBOZURXUIHU-LSDHHAIUSA-N 1 0 349.475 2.881 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776606629 1299779456 /nfs/dbraw/zinc/77/94/56/1299779456.db2.gz YOIQJTRGCZFWBU-APPDUMDISA-N 1 0 332.356 2.693 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000852790792 1299888242 /nfs/dbraw/zinc/88/82/42/1299888242.db2.gz BMPNNEZEMFGARD-RTBURBONSA-N 1 0 341.430 2.738 20 10 EFCDRO Cc1cc(F)cc(C)c1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852791815 1299888973 /nfs/dbraw/zinc/88/89/73/1299888973.db2.gz MXSRUSXLEVHKKR-KRWDZBQOSA-N 1 0 329.419 2.938 20 10 EFCDRO CSc1ccc(O)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000852790732 1299889066 /nfs/dbraw/zinc/88/90/66/1299889066.db2.gz ATKRLPGEIXAKSG-INIZCTEOSA-N 1 0 345.468 2.610 20 10 EFCDRO Cc1cc(F)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(F)c1 ZINC000852792469 1299890354 /nfs/dbraw/zinc/89/03/54/1299890354.db2.gz XANSYNYEYWFWNV-INIZCTEOSA-N 1 0 333.382 2.769 20 10 EFCDRO COC(=O)c1ccccc1N1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC001237488348 1313654652 /nfs/dbraw/zinc/65/46/52/1313654652.db2.gz TXSUJKNKKMNEDZ-UHFFFAOYSA-N 1 0 340.423 2.809 20 10 EFCDRO Cc1cnc2n1CCN(C)C21CC[NH+](Cc2c(C)cccc2O)CC1 ZINC001237489061 1313654825 /nfs/dbraw/zinc/65/48/25/1313654825.db2.gz UXTLGLHAKIONQN-UHFFFAOYSA-N 1 0 340.471 2.642 20 10 EFCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H]2[C@H](CC(=O)NCc3ccco3)[C@@H]2C1 ZINC001237488569 1313655031 /nfs/dbraw/zinc/65/50/31/1313655031.db2.gz OEBAGGUJEUIEHN-VBUUOAMHSA-N 1 0 340.423 2.678 20 10 EFCDRO Cc1cccc(O)c1C[NH+]1CCN(C(=O)Cc2ccsc2)CC1 ZINC001237494422 1313655910 /nfs/dbraw/zinc/65/59/10/1313655910.db2.gz INNAIJDPDLPJNJ-UHFFFAOYSA-N 1 0 330.453 2.649 20 10 EFCDRO Cc1cccc(O)c1C[NH+]1CCC(NC(=O)N2CCCCC2)CC1 ZINC001237496330 1313656665 /nfs/dbraw/zinc/65/66/65/1313656665.db2.gz YFMWDWMZUMCNEO-UHFFFAOYSA-N 1 0 331.460 2.861 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@]3(C)CC[NH2+]C3)c2C)cc1 ZINC000852926964 1299941340 /nfs/dbraw/zinc/94/13/40/1299941340.db2.gz CJLIBNUVPNDXHO-LJQANCHMSA-N 1 0 327.428 2.585 20 10 EFCDRO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235412 1300080583 /nfs/dbraw/zinc/08/05/83/1300080583.db2.gz SJHJXXRKQXXLNV-CRAIPNDOSA-N 1 0 334.460 2.536 20 10 EFCDRO COc1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccccc2O)cc1F ZINC000111236505 1300080912 /nfs/dbraw/zinc/08/09/12/1300080912.db2.gz YAKAXASWTQSLBX-UHFFFAOYSA-N 1 0 346.402 2.630 20 10 EFCDRO C[N@@H+]1CCCC2(CCN(C(=O)c3ccc(O)c(O)c3Cl)CC2)C1 ZINC001276527217 1313668933 /nfs/dbraw/zinc/66/89/33/1313668933.db2.gz JDWXJVKKNFZCBG-UHFFFAOYSA-N 1 0 338.835 2.699 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC2CC(C[NH2+]CC3CCC3)C2)cc1 ZINC000962861406 1300142160 /nfs/dbraw/zinc/14/21/60/1300142160.db2.gz XTNHLVGJVXHXPJ-UHFFFAOYSA-N 1 0 343.431 2.747 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H]4NC(=O)CC[C@H]4C3)c2c1 ZINC000853555984 1300163655 /nfs/dbraw/zinc/16/36/55/1300163655.db2.gz UKZHWCXEWCPXJZ-KSSFIOAISA-N 1 0 340.423 2.655 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853556070 1300163953 /nfs/dbraw/zinc/16/39/53/1300163953.db2.gz WMTBUQCFPWCMEB-GUYCJALGSA-N 1 0 346.471 2.799 20 10 EFCDRO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(N3CCOC3=O)CC2)c1 ZINC000853608426 1300190381 /nfs/dbraw/zinc/19/03/81/1300190381.db2.gz SRXSHIQAHBQCRU-UHFFFAOYSA-N 1 0 348.443 2.812 20 10 EFCDRO CN1C[C@@H]2C[N@H+](Cc3cc(-c4ccc(F)cc4)ccc3O)C[C@@H]2C1=O ZINC001237643758 1313682486 /nfs/dbraw/zinc/68/24/86/1313682486.db2.gz RFDXDHUXOJTFSU-AEFFLSMTSA-N 1 0 340.398 2.718 20 10 EFCDRO C[C@@]1(CO)CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C[C@@H]1O ZINC001237640457 1313682933 /nfs/dbraw/zinc/68/29/33/1313682933.db2.gz BTOINQDBYGNQCU-PMACEKPBSA-N 1 0 345.414 2.764 20 10 EFCDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCCSc2nccs2)C1 ZINC000853856273 1300311653 /nfs/dbraw/zinc/31/16/53/1300311653.db2.gz WQINGXKTNQCLOD-LBPRGKRZSA-N 1 0 342.534 2.797 20 10 EFCDRO COc1cc(CN2CC[NH+](CC3CCCC3)CC2)c(O)c(OC)c1 ZINC001237677302 1313689855 /nfs/dbraw/zinc/68/98/55/1313689855.db2.gz ZZHCCXHPAUHGII-UHFFFAOYSA-N 1 0 334.460 2.717 20 10 EFCDRO CCc1nc(C2CC[NH+](Cc3cc(OC)cc(OC)c3O)CC2)no1 ZINC001237681079 1313690437 /nfs/dbraw/zinc/69/04/37/1313690437.db2.gz OKUQPNSJTDGWCE-UHFFFAOYSA-N 1 0 347.415 2.734 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c(O)c(OC)c1 ZINC001237682591 1313690443 /nfs/dbraw/zinc/69/04/43/1313690443.db2.gz BTIVQSURFPPVFT-OAHLLOKOSA-N 1 0 344.411 2.766 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccncc3C)C2)c(O)c(OC)c1 ZINC001237683828 1313690728 /nfs/dbraw/zinc/69/07/28/1313690728.db2.gz KWMUYWWQTWGGIM-OAHLLOKOSA-N 1 0 344.411 2.766 20 10 EFCDRO COc1ncnc2c1CC[N@H+](Cc1cc(Cl)cc(C)c1O)CC2 ZINC001237682572 1313690846 /nfs/dbraw/zinc/69/08/46/1313690846.db2.gz BKMXRWWKJMHHFL-UHFFFAOYSA-N 1 0 333.819 2.753 20 10 EFCDRO Cc1cc(O)c(CN2C[C@H]3[C@H](C2)CCC[N@H+]3C)cc1Br ZINC001237684503 1313691392 /nfs/dbraw/zinc/69/13/92/1313691392.db2.gz LREYUKHPVBIGST-WFASDCNBSA-N 1 0 339.277 2.989 20 10 EFCDRO COC(=O)C[C@H]1CC[N@H+](Cc2cc(Br)c(C)cc2O)C1 ZINC001237684226 1313691839 /nfs/dbraw/zinc/69/18/39/1313691839.db2.gz IGVHDHJMMVKZET-LLVKDONJSA-N 1 0 342.233 2.848 20 10 EFCDRO COc1cc(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c(O)c(OC)c1 ZINC001237676123 1313688982 /nfs/dbraw/zinc/68/89/82/1313688982.db2.gz FXZBILQDBUYWEJ-MRXNPFEDSA-N 1 0 329.396 2.845 20 10 EFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)c(C)cc2O)C1 ZINC001237675852 1313689223 /nfs/dbraw/zinc/68/92/23/1313689223.db2.gz CCXJPNWEJWTCRF-LLVKDONJSA-N 1 0 342.233 2.848 20 10 EFCDRO Cc1ccc(S(=O)(=O)Nc2cccc(N3CC[NH2+]CC3)c2)c(C)c1 ZINC001237745318 1313700152 /nfs/dbraw/zinc/70/01/52/1313700152.db2.gz FWKVXCLSUWWFCK-UHFFFAOYSA-N 1 0 345.468 2.514 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)COCC3CC3)C2)cc1C ZINC001207508014 1313702670 /nfs/dbraw/zinc/70/26/70/1313702670.db2.gz XNJDJNOWCWOMDX-GOSISDBHSA-N 1 0 346.471 2.511 20 10 EFCDRO [O-]c1c(F)cccc1C[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276537398 1313702749 /nfs/dbraw/zinc/70/27/49/1313702749.db2.gz GKDRBIKLKUBQMQ-UHFFFAOYSA-N 1 0 344.434 2.743 20 10 EFCDRO CCOCCCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207489437 1313699252 /nfs/dbraw/zinc/69/92/52/1313699252.db2.gz MVCINVJWSZWBEQ-SFHVURJKSA-N 1 0 348.487 2.901 20 10 EFCDRO CC(C)NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1[O-])C2 ZINC001276538666 1313707411 /nfs/dbraw/zinc/70/74/11/1313707411.db2.gz FIGKUTVQUVPFTE-LJQANCHMSA-N 1 0 349.450 2.937 20 10 EFCDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cccc(OC)c2O)C1 ZINC000776810561 1300934143 /nfs/dbraw/zinc/93/41/43/1300934143.db2.gz ZLAMECDZTIHXFC-DZGCQCFKSA-N 1 0 336.432 2.747 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000113343070 1300960282 /nfs/dbraw/zinc/96/02/82/1300960282.db2.gz ZKPUPSAMDYCOEV-AWEZNQCLSA-N 1 0 336.432 2.890 20 10 EFCDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000776813039 1300969583 /nfs/dbraw/zinc/96/95/83/1300969583.db2.gz RMQPHSJDYIGNMG-UXHICEINSA-N 1 0 348.487 2.587 20 10 EFCDRO COCCCC[NH+]1CCN(Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237943174 1313734898 /nfs/dbraw/zinc/73/48/98/1313734898.db2.gz KXDGQEAFOOBKLJ-UHFFFAOYSA-N 1 0 330.831 2.729 20 10 EFCDRO Cc1ncsc1/C=C\C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000776866702 1301204107 /nfs/dbraw/zinc/20/41/07/1301204107.db2.gz HUIOJHSLPPBFGM-CKXPSTMWSA-N 1 0 343.452 2.821 20 10 EFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2OCCOC)cc1 ZINC000776869313 1301204638 /nfs/dbraw/zinc/20/46/38/1301204638.db2.gz NUCMRHMCUSZKJE-IPELMVKDSA-N 1 0 336.476 2.614 20 10 EFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@H]2OCCOC)cc1 ZINC000776869316 1301205043 /nfs/dbraw/zinc/20/50/43/1301205043.db2.gz NUCMRHMCUSZKJE-KFKAGJAMSA-N 1 0 336.476 2.614 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)c1O ZINC001238060998 1313753741 /nfs/dbraw/zinc/75/37/41/1313753741.db2.gz MCBIQEJRIKJXBS-XJKSGUPXSA-N 1 0 344.386 2.779 20 10 EFCDRO CC[C@H]([NH2+][C@@H]1CCOC[C@H]1OCCOC)c1cc(Cl)ccc1O ZINC000776869733 1301209635 /nfs/dbraw/zinc/20/96/35/1301209635.db2.gz PRASPYVFAMOLBI-ZMSDIMECSA-N 1 0 343.851 2.907 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2cc(F)cc(C)c2O)Cc2cnn(C)c21 ZINC001238060914 1313753270 /nfs/dbraw/zinc/75/32/70/1313753270.db2.gz KHZXXMQEQFFXIK-HNNXBMFYSA-N 1 0 333.407 2.709 20 10 EFCDRO Cc1cc(F)cc(C[NH+]2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)c1O ZINC001238060783 1313753313 /nfs/dbraw/zinc/75/33/13/1313753313.db2.gz JBOGYUUYBJTKNK-IRXDYDNUSA-N 1 0 341.430 2.799 20 10 EFCDRO Cc1cc(F)cc(CN2CC3(C2)CC[N@H+](Cc2cccnc2)C3)c1O ZINC001238061386 1313753399 /nfs/dbraw/zinc/75/33/99/1313753399.db2.gz MDOOHSPRVFOOJU-UHFFFAOYSA-N 1 0 341.430 2.943 20 10 EFCDRO Cc1cc(F)cc(C[NH+]2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c1O ZINC001238062034 1313753516 /nfs/dbraw/zinc/75/35/16/1313753516.db2.gz SMAVLXMWTKVREO-HUUCEWRRSA-N 1 0 347.459 2.860 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)c1O ZINC001238062524 1313753571 /nfs/dbraw/zinc/75/35/71/1313753571.db2.gz TYTKRSIOWZBACC-IRXDYDNUSA-N 1 0 332.419 2.815 20 10 EFCDRO COc1ccnc(O[C@@H]2CCC[N@H+](Cc3cc(F)cc(C)c3O)C2)n1 ZINC001238067368 1313755120 /nfs/dbraw/zinc/75/51/20/1313755120.db2.gz SSOAEJCYNHCBBV-OAHLLOKOSA-N 1 0 347.390 2.682 20 10 EFCDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3cc(F)cc(C)c3O)C2)c1 ZINC001238066749 1313755147 /nfs/dbraw/zinc/75/51/47/1313755147.db2.gz PCNFKYWGHPLLGM-INIZCTEOSA-N 1 0 332.375 2.897 20 10 EFCDRO O=S(=O)(N[C@H]1C[NH2+]C[C@H]1F)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238219590 1313785354 /nfs/dbraw/zinc/78/53/54/1313785354.db2.gz FYUSSLHDMASNTM-ZUIHOSHSSA-N 1 0 348.403 2.690 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000246533721 1301629763 /nfs/dbraw/zinc/62/97/63/1301629763.db2.gz WTBKJKWRLMQMRY-CABCVRRESA-N 1 0 349.475 2.881 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)c2cnco2)cc1C ZINC001037052286 1302006620 /nfs/dbraw/zinc/00/66/20/1302006620.db2.gz WDJWMSNZQZZNST-JKSUJKDBSA-N 1 0 343.427 2.680 20 10 EFCDRO CC[C@@H]([NH2+]Cc1nncn1C)c1cc(Br)ccc1O ZINC000038007564 1302007641 /nfs/dbraw/zinc/00/76/41/1302007641.db2.gz XOFRGXPMYXXFPU-LLVKDONJSA-N 1 0 325.210 2.524 20 10 EFCDRO CCOc1ccc(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c(O)c1 ZINC000796468798 1302059805 /nfs/dbraw/zinc/05/98/05/1302059805.db2.gz JNGZQOWNGQXUPM-INIZCTEOSA-N 1 0 347.459 2.561 20 10 EFCDRO Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(C)n1-c1ccc(F)cc1 ZINC000861907842 1302244070 /nfs/dbraw/zinc/24/40/70/1302244070.db2.gz GXDCYTMVTZERLZ-BWTSREIZSA-N 1 0 341.430 2.865 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC2([NH+](C)C)CC2)c1 ZINC000862007472 1302263918 /nfs/dbraw/zinc/26/39/18/1302263918.db2.gz GHQKLPGPTMBTPU-UHFFFAOYSA-N 1 0 339.439 2.731 20 10 EFCDRO CN(C)c1cc(F)c(C[N@H+](CCC(N)=O)Cc2ccccc2)cc1F ZINC000862216902 1302309356 /nfs/dbraw/zinc/30/93/56/1302309356.db2.gz PGGVXBPABQHZBO-UHFFFAOYSA-N 1 0 347.409 2.908 20 10 EFCDRO Oc1cccc(Br)c1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000862252469 1302323482 /nfs/dbraw/zinc/32/34/82/1302323482.db2.gz UPJYNECZVIULLY-TZMCWYRMSA-N 1 0 344.274 2.861 20 10 EFCDRO CN(C)c1cc(F)c(CN(CC[NH+](C)C)C[C@H]2CCCO2)cc1F ZINC000862367148 1302348594 /nfs/dbraw/zinc/34/85/94/1302348594.db2.gz XJXHEPZSAWLRJU-OAHLLOKOSA-N 1 0 341.446 2.573 20 10 EFCDRO CC[C@@H](C)[N@H+](CCO)Cc1cc(Br)cc(OC)c1O ZINC000862387897 1302362928 /nfs/dbraw/zinc/36/29/28/1302362928.db2.gz TWESTOXZPPPYOU-SNVBAGLBSA-N 1 0 332.238 2.756 20 10 EFCDRO Cc1ccc(O)c(C[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)c1 ZINC000862478644 1302394951 /nfs/dbraw/zinc/39/49/51/1302394951.db2.gz KSKRESRPFZEHBA-CQSZACIVSA-N 1 0 338.407 2.865 20 10 EFCDRO CC[C@H]1CN(C(=O)C(F)F)CC[C@@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001037759014 1302469157 /nfs/dbraw/zinc/46/91/57/1302469157.db2.gz LZLCNFOFXLZNDV-GJZGRUSLSA-N 1 0 340.414 2.985 20 10 EFCDRO O=C(N1CCCC12CC2)C12CC([NH2+]Cc3cc(F)ccc3O)(C1)C2 ZINC001278255692 1313845280 /nfs/dbraw/zinc/84/52/80/1313845280.db2.gz WILVFOXIEKHBQZ-UHFFFAOYSA-N 1 0 330.403 2.699 20 10 EFCDRO O=C([C@@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2)N1CC=CC1 ZINC001278256494 1313846262 /nfs/dbraw/zinc/84/62/62/1313846262.db2.gz GZSMENMVMAQAAZ-INIZCTEOSA-N 1 0 330.403 2.532 20 10 EFCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000119487460 1302634381 /nfs/dbraw/zinc/63/43/81/1302634381.db2.gz XGKNZDHMQOYKOL-ZDUSSCGKSA-N 1 0 334.441 2.541 20 10 EFCDRO COc1ccc(N2CCN(CC3(C[NH+](C)C)CCCC3)CC2)cc1 ZINC001208181953 1313863873 /nfs/dbraw/zinc/86/38/73/1313863873.db2.gz DDCGLUHMGZMTKU-UHFFFAOYSA-N 1 0 331.504 2.939 20 10 EFCDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)CCO2 ZINC000794662843 1302885833 /nfs/dbraw/zinc/88/58/33/1302885833.db2.gz PGPXUTGBDANHDR-BFUOFWGJSA-N 1 0 335.444 2.775 20 10 EFCDRO C[C@@H]1C[C@H]1c1nnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000865294160 1303210446 /nfs/dbraw/zinc/21/04/46/1303210446.db2.gz IIMBFJIBELGCSH-CZUORRHYSA-N 1 0 327.432 2.557 20 10 EFCDRO Oc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1F ZINC000120506811 1303223914 /nfs/dbraw/zinc/22/39/14/1303223914.db2.gz PVWXEDYEKRIFJA-UHFFFAOYSA-N 1 0 334.366 2.797 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3c(C)noc3C)C2)cc1C ZINC001018487784 1313900128 /nfs/dbraw/zinc/90/01/28/1313900128.db2.gz ZZGAJUDVALPXGY-INIZCTEOSA-N 1 0 343.427 2.613 20 10 EFCDRO [NH3+][C@]12C[C@H]1CN(S(=O)(=O)c1ccc(/N=N/c3ccccc3)cc1)C2 ZINC001239105930 1313903237 /nfs/dbraw/zinc/90/32/37/1313903237.db2.gz BYZZXGCTRAZGOH-BXASSPPCSA-N 1 0 342.424 2.824 20 10 EFCDRO Cc1cc(NC(=O)NCc2ccc(N3CC[NH2+]CC3)cc2)ccc1F ZINC001239223253 1313915823 /nfs/dbraw/zinc/91/58/23/1313915823.db2.gz NYFDIJAYEPVWOY-UHFFFAOYSA-N 1 0 342.418 2.865 20 10 EFCDRO CCC[NH2+]C1CC2(CC(NC(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC000965943378 1303478249 /nfs/dbraw/zinc/47/82/49/1303478249.db2.gz OXXIYEUQXLXHGD-UHFFFAOYSA-N 1 0 343.431 2.890 20 10 EFCDRO C[NH+](C)CCOc1cccc(NC(=O)NCc2ccccc2O)c1 ZINC000748444878 1313926006 /nfs/dbraw/zinc/92/60/06/1313926006.db2.gz WRNKEXVTOVPJTF-UHFFFAOYSA-N 1 0 329.400 2.654 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CCOC[C@@H]2C)c1O ZINC000796496612 1304001989 /nfs/dbraw/zinc/00/19/89/1304001989.db2.gz BLKFQRBFFJZEQS-WDEREUQCSA-N 1 0 344.249 2.926 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cnc(C)s3)C2)cc1C ZINC001018602719 1313964570 /nfs/dbraw/zinc/96/45/70/1313964570.db2.gz IGVZBERKQLIUDA-HNNXBMFYSA-N 1 0 345.468 2.773 20 10 EFCDRO COC1CC[NH+](C(C)(C)CNC(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000868224352 1304195593 /nfs/dbraw/zinc/19/55/93/1304195593.db2.gz GVBTXBQYERNNRA-CQSZACIVSA-N 1 0 349.475 2.642 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCc3ccco3)C2)cc1C ZINC000966934833 1304461483 /nfs/dbraw/zinc/46/14/83/1304461483.db2.gz LEUJEGLNEVHHPX-QGZVFWFLSA-N 1 0 342.439 2.920 20 10 EFCDRO CCc1ocnc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001018654849 1313990885 /nfs/dbraw/zinc/99/08/85/1313990885.db2.gz VCJGKYQHVGAHQJ-HNNXBMFYSA-N 1 0 343.427 2.558 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccncc3F)C2)cc1C ZINC001018657721 1313991810 /nfs/dbraw/zinc/99/18/10/1313991810.db2.gz OKKXYQUSSKJUSY-HNNXBMFYSA-N 1 0 343.402 2.542 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cccc(C)n3)C2)cc1C ZINC000967236057 1304761232 /nfs/dbraw/zinc/76/12/32/1304761232.db2.gz DVEHTIJESWVBRM-QGZVFWFLSA-N 1 0 339.439 2.711 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[C@@H]3CCCO3)C2)cc1C ZINC000967289155 1304809114 /nfs/dbraw/zinc/80/91/14/1304809114.db2.gz MMICCJMCJXZDMH-MSOLQXFVSA-N 1 0 346.471 2.653 20 10 EFCDRO CC[C@@H](CCC(=O)OC)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001208785865 1314016081 /nfs/dbraw/zinc/01/60/81/1314016081.db2.gz FJJNGGJLVPYXTJ-KRWDZBQOSA-N 1 0 348.487 2.934 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC000869801337 1304977059 /nfs/dbraw/zinc/97/70/59/1304977059.db2.gz HKSJYCZHYAUFGS-ZFWWWQNUSA-N 1 0 330.453 2.952 20 10 EFCDRO C[N@H+]1CC=C(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)CC1 ZINC001208857616 1314030718 /nfs/dbraw/zinc/03/07/18/1314030718.db2.gz MRTGBLHGXSHSMK-UHFFFAOYSA-N 1 0 349.434 2.577 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C(F)F)cc1C ZINC001036918881 1305738634 /nfs/dbraw/zinc/73/86/34/1305738634.db2.gz RSWMWXZGTVVUJM-UONOGXRCSA-N 1 0 326.387 2.643 20 10 EFCDRO COCCC[N@@H+]1CCC[C@@]2(C1)COCCN(c1ccc(OC)cc1)C2 ZINC001209050931 1314080028 /nfs/dbraw/zinc/08/00/28/1314080028.db2.gz XVWNKHJJSSOBSN-FQEVSTJZSA-N 1 0 348.487 2.651 20 10 EFCDRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2cc(C)ccc2O)s1 ZINC000796531406 1305972352 /nfs/dbraw/zinc/97/23/52/1305972352.db2.gz YUSQKJGNXVFFCE-NWDGAFQWSA-N 1 0 348.472 2.867 20 10 EFCDRO c1ccc(N2CC=C(c3cnc(O[C@H]4CCC[NH2+]C4)nc3)CC2)cc1 ZINC001241351845 1314112696 /nfs/dbraw/zinc/11/26/96/1314112696.db2.gz FWRUACQNKFORLG-IBGZPJMESA-N 1 0 336.439 2.901 20 10 EFCDRO COc1ccc(N2CC[NH+](CC3COC(C)(C)OC3)CC2)c(C)c1 ZINC001209202494 1314115144 /nfs/dbraw/zinc/11/51/44/1314115144.db2.gz QLZVDOAHOHSNBO-UHFFFAOYSA-N 1 0 334.460 2.525 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3[nH]ccc3C)C2)cc1C ZINC000968553484 1306449910 /nfs/dbraw/zinc/44/99/10/1306449910.db2.gz XSCWVQOVYBESQN-MRXNPFEDSA-N 1 0 327.428 2.644 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C(F)F)C2)cc1C ZINC000968559545 1306454421 /nfs/dbraw/zinc/45/44/21/1306454421.db2.gz KCPDYBGXBVTJLT-ILXRZTDVSA-N 1 0 338.398 2.595 20 10 EFCDRO C[C@H]1CC[N@H+](CCCF)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000968684667 1306565754 /nfs/dbraw/zinc/56/57/54/1306565754.db2.gz GOVCYUWIAKRJKS-WFASDCNBSA-N 1 0 349.410 2.649 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968684804 1306566325 /nfs/dbraw/zinc/56/63/25/1306566325.db2.gz ITXZMOMAPMUNFT-BBRMVZONSA-N 1 0 345.447 2.945 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cocn3)[C@@H](C)C2)cc1C ZINC001044508784 1306572238 /nfs/dbraw/zinc/57/22/38/1306572238.db2.gz ODNYZZPLINGFGU-GOEBONIOSA-N 1 0 343.427 2.775 20 10 EFCDRO COc1ccc2c(c1)c1c(n2C)CCN(CCCC2OCCO2)C1 ZINC001209311505 1314137197 /nfs/dbraw/zinc/13/71/97/1314137197.db2.gz CSVPWMWYUOMDHL-UHFFFAOYSA-N 1 0 330.428 2.698 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cncs2)cc1C ZINC001044948151 1306947238 /nfs/dbraw/zinc/94/72/38/1306947238.db2.gz LAOWGAMMJYFLDB-HNNXBMFYSA-N 1 0 345.468 2.855 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2ocnc2C)cc1C ZINC001044977227 1306968458 /nfs/dbraw/zinc/96/84/58/1306968458.db2.gz CTRVFDQRPGHOJV-INIZCTEOSA-N 1 0 343.427 2.694 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(CN2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC001209516453 1314178892 /nfs/dbraw/zinc/17/88/92/1314178892.db2.gz GYSNBHYACFYRSO-HXUWFJFHSA-N 1 0 327.472 2.857 20 10 EFCDRO CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001007791940 1307605308 /nfs/dbraw/zinc/60/53/08/1307605308.db2.gz MQGMPDGAEIAJTH-INIZCTEOSA-N 1 0 349.475 2.729 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@]34C[C@H]3CCC4)C2)cc1C ZINC001019170633 1314205242 /nfs/dbraw/zinc/20/52/42/1314205242.db2.gz IZYJSAJQULVTBY-FUHIMQAGSA-N 1 0 328.456 2.884 20 10 EFCDRO COc1ccc(O)c(C[NH2+]CCCNC(=O)/C=C\c2ccccc2)c1 ZINC000800545142 1308100841 /nfs/dbraw/zinc/10/08/41/1308100841.db2.gz WUDZDVKQMAHYDS-FLIBITNWSA-N 1 0 340.423 2.710 20 10 EFCDRO C[NH+]1CCN(Cc2cccc(Nc3ccc4c(c3)OCCN4)c2)CC1 ZINC001209766954 1314234223 /nfs/dbraw/zinc/23/42/23/1314234223.db2.gz GLPHCHOJZYAUTH-UHFFFAOYSA-N 1 0 338.455 2.982 20 10 EFCDRO Cc1cc(O)c(CN2CC3(C2)CC[N@H+](Cc2cn[nH]c2)C3)cc1Cl ZINC001276372155 1314244241 /nfs/dbraw/zinc/24/42/41/1314244241.db2.gz HLPOEUAINWBPKF-UHFFFAOYSA-N 1 0 346.862 2.785 20 10 EFCDRO Cc1ccc(C)c(C[N@@H+]2CCc3cc(C(=O)N(C)C)[nH]c3C2)c1O ZINC001278357457 1314255983 /nfs/dbraw/zinc/25/59/83/1314255983.db2.gz JNPYWMRVQDXDOP-UHFFFAOYSA-N 1 0 327.428 2.597 20 10 EFCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000800902061 1308648333 /nfs/dbraw/zinc/64/83/33/1308648333.db2.gz TUKNQIBHLCPORL-OAHLLOKOSA-N 1 0 341.411 2.797 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000800965161 1308753917 /nfs/dbraw/zinc/75/39/17/1308753917.db2.gz DSMHDLQIIJUVHV-IOMROCGXSA-N 1 0 343.515 2.986 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3occc3C)C2)cc1C ZINC001019355891 1314290443 /nfs/dbraw/zinc/29/04/43/1314290443.db2.gz SJEGCDUTEGMEOX-KRWDZBQOSA-N 1 0 342.439 2.838 20 10 EFCDRO COC[C@@H]1C[NH2+]CCN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001210543579 1314349374 /nfs/dbraw/zinc/34/93/74/1314349374.db2.gz FYLOGMGIIFETQT-SFHVURJKSA-N 1 0 330.403 2.619 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@]3(C)CCCOC3)C2)cc1C ZINC001019574879 1314388546 /nfs/dbraw/zinc/38/85/46/1314388546.db2.gz XIWQZHVBVASJMO-PXNSSMCTSA-N 1 0 346.471 2.511 20 10 EFCDRO CCCC[N@H+](CC[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1O ZINC000801597501 1310574093 /nfs/dbraw/zinc/57/40/93/1310574093.db2.gz ILAPHMNLRODYNR-OAHLLOKOSA-N 1 0 325.474 2.819 20 10 EFCDRO CCc1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)no1 ZINC001019673715 1314417402 /nfs/dbraw/zinc/41/74/02/1314417402.db2.gz HHTQYSNUASDCRN-HNNXBMFYSA-N 1 0 343.427 2.558 20 10 EFCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001276825885 1311049615 /nfs/dbraw/zinc/04/96/15/1311049615.db2.gz AVOMNXWSOLGGSQ-AGUYFDCRSA-N 1 0 328.412 2.522 20 10 EFCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276826305 1311058755 /nfs/dbraw/zinc/05/87/55/1311058755.db2.gz NJOFKWFNVJXXGY-UHFFFAOYSA-N 1 0 342.439 2.725 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)C(C)(F)F)C2)cc1C ZINC001047669809 1311058812 /nfs/dbraw/zinc/05/88/12/1311058812.db2.gz CXJDYIQLYCGKBZ-ZFWWWQNUSA-N 1 0 340.414 2.985 20 10 EFCDRO Cc1cc(CN2CC[C@@]23CCC[NH2+]C3)c(O)cc1Br ZINC001222203725 1311098271 /nfs/dbraw/zinc/09/82/71/1311098271.db2.gz LDRMQDWNOLKQCX-OAHLLOKOSA-N 1 0 325.250 2.791 20 10 EFCDRO Oc1ccc(Br)cc1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222238057 1311103370 /nfs/dbraw/zinc/10/33/70/1311103370.db2.gz ZDGCVVYJSGTWHI-OAHLLOKOSA-N 1 0 325.250 2.873 20 10 EFCDRO Oc1ccc(Br)cc1CN1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222346728 1311117122 /nfs/dbraw/zinc/11/71/22/1311117122.db2.gz RXUFHQJBRKNFKJ-HNNXBMFYSA-N 1 0 325.250 2.873 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222360179 1311119102 /nfs/dbraw/zinc/11/91/02/1311119102.db2.gz IURYJPLDTALAAL-IBGZPJMESA-N 1 0 349.906 2.895 20 10 EFCDRO Clc1cc(CN2CC[C@@]3(C2)CCCC[NH2+]3)ccc1N1CCOCC1 ZINC001222434989 1311131198 /nfs/dbraw/zinc/13/11/98/1311131198.db2.gz NFTAXXWHLKCGCG-LJQANCHMSA-N 1 0 349.906 2.895 20 10 EFCDRO Oc1cc(CN2CCC3(C[NH+](C4CCCC4)C3)CC2)cc(O)c1O ZINC001276832931 1311173535 /nfs/dbraw/zinc/17/35/35/1311173535.db2.gz FIHPLVBZJGPONY-UHFFFAOYSA-N 1 0 332.444 2.644 20 10 EFCDRO Oc1cc(CN2CCCC3(C[NH+](C4CCCC4)C3)C2)cc(O)c1O ZINC001276832733 1311177881 /nfs/dbraw/zinc/17/78/81/1311177881.db2.gz ALNJWVCXWDTDHC-UHFFFAOYSA-N 1 0 332.444 2.644 20 10 EFCDRO CCOc1ccc(N2CC[C@H]3C[N@H+](Cc4cc(C)nn4C)C[C@H]32)cc1 ZINC001276926234 1311311604 /nfs/dbraw/zinc/31/16/04/1311311604.db2.gz OZPDBXJCZZLDHL-OXJNMPFZSA-N 1 0 340.471 2.838 20 10 EFCDRO COc1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc[nH]2)c(OC)c1 ZINC001276995342 1311432132 /nfs/dbraw/zinc/43/21/32/1311432132.db2.gz ZCTXKUMSYXCIHX-IYBDPMFKSA-N 1 0 327.428 2.885 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2occ3c2CCCC3)cc1C ZINC001149062727 1311434944 /nfs/dbraw/zinc/43/49/44/1311434944.db2.gz CFVPRRQOMCQBCW-UHFFFAOYSA-N 1 0 342.439 2.995 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3CCC3)C[C@@H]2C)cc1C ZINC001048094624 1311451032 /nfs/dbraw/zinc/45/10/32/1311451032.db2.gz BQCVVZJHMPVSRD-MAUKXSAKSA-N 1 0 330.472 2.988 20 10 EFCDRO COc1ccc(N2CC[C@H]3C[N@H+](Cc4cc(C)nn4C)C[C@H]32)cc1F ZINC001277009142 1311454960 /nfs/dbraw/zinc/45/49/60/1311454960.db2.gz GEWOLOHXSDVYMI-KBXCAEBGSA-N 1 0 344.434 2.587 20 10 EFCDRO CC[C@@H]1CC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)O1 ZINC001159178272 1311467950 /nfs/dbraw/zinc/46/79/50/1311467950.db2.gz CIXZOLGJMYOXJU-AEFFLSMTSA-N 1 0 334.460 2.557 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C(C)(C)F)C[C@H]2C)cc1C ZINC001048113355 1311472001 /nfs/dbraw/zinc/47/20/01/1311472001.db2.gz NFSKOQUDLOMAOI-ZBFHGGJFSA-N 1 0 336.451 2.936 20 10 EFCDRO COc1ccc(N2CC[C@H]3C[N@H+](Cc4cccc(=O)[nH]4)C[C@H]32)c(C)c1 ZINC001277018550 1311474370 /nfs/dbraw/zinc/47/43/70/1311474370.db2.gz MISHUXUAMISTFH-HNAYVOBHSA-N 1 0 339.439 2.815 20 10 EFCDRO COCCOCN1CC[C@@]2(C1)CCCN(c1ccc(OC)cc1C)C2 ZINC001277019264 1311474716 /nfs/dbraw/zinc/47/47/16/1311474716.db2.gz XZLGMGZEEMGNAD-HXUWFJFHSA-N 1 0 348.487 2.916 20 10 EFCDRO COc1ccc(N2CCC[C@]3(CC[N@H+](CCN(C)C)C3)C2)c(C)c1 ZINC001277022331 1311486632 /nfs/dbraw/zinc/48/66/32/1311486632.db2.gz MSNILMLQHIPCES-HXUWFJFHSA-N 1 0 331.504 2.858 20 10 EFCDRO COc1ccc(N2CCC[C@@]3(CC[N@H+](CCN(C)C)C3)C2)c(C)c1 ZINC001277022329 1311486692 /nfs/dbraw/zinc/48/66/92/1311486692.db2.gz MSNILMLQHIPCES-FQEVSTJZSA-N 1 0 331.504 2.858 20 10 EFCDRO COc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCn2ccnc2)c(C)c1 ZINC001277022665 1311486970 /nfs/dbraw/zinc/48/69/70/1311486970.db2.gz PXRSUTWOXMULLA-OALUTQOASA-N 1 0 326.444 2.553 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCO[C@@H]2C(C)C)cc1C ZINC001159605975 1311550214 /nfs/dbraw/zinc/55/02/14/1311550214.db2.gz CHNNNBIQEJPUCW-IEBWSBKVSA-N 1 0 348.487 2.661 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(NC3=CCC[NH2+]CC3)c(O)cc21 ZINC001159650182 1311557976 /nfs/dbraw/zinc/55/79/76/1311557976.db2.gz XRFPKFMFMZEPKT-UHFFFAOYSA-N 1 0 334.375 2.847 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(NC3=C[C@H]4CC[C@@H](C3)[NH2+]4)c(O)cc21 ZINC001159649344 1311557995 /nfs/dbraw/zinc/55/79/95/1311557995.db2.gz PXRNKDYKKFSCRI-NEPJUHHUSA-N 1 0 346.386 2.988 20 10 EFCDRO COC[C@H](C)[C@@H](C)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001159657334 1311560114 /nfs/dbraw/zinc/56/01/14/1311560114.db2.gz BESGJNFVYVJEBQ-JKSUJKDBSA-N 1 0 336.476 2.518 20 10 EFCDRO O=C(c1ccccn1)c1cc(Br)ccc1NC1=CC[NH2+]C1 ZINC001159736448 1311575354 /nfs/dbraw/zinc/57/53/54/1311575354.db2.gz NONPINTUCKMJHG-UHFFFAOYSA-N 1 0 344.212 2.974 20 10 EFCDRO Nc1cccnc1N[C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O ZINC001160616090 1311746626 /nfs/dbraw/zinc/74/66/26/1311746626.db2.gz CMKCXPFWNJJSBY-QZTJIDSGSA-N 1 0 336.395 2.928 20 10 EFCDRO CC[NH+]1CCC(NC(=O)COc2ccc3c(c2)c(C)c(C)n3C)CC1 ZINC000902445677 1311747991 /nfs/dbraw/zinc/74/79/91/1311747991.db2.gz QADUJVQUCNTOGE-UHFFFAOYSA-N 1 0 343.471 2.774 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC2(F)F)cc1C ZINC001160691124 1311760837 /nfs/dbraw/zinc/76/08/37/1311760837.db2.gz OHMXSIJDHPRZOB-AWEZNQCLSA-N 1 0 326.387 2.645 20 10 EFCDRO CC(C)(C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001277192334 1311781067 /nfs/dbraw/zinc/78/10/67/1311781067.db2.gz MQRQRTFIIWZANK-HNNXBMFYSA-N 1 0 332.444 2.615 20 10 EFCDRO C[C@H](NC[C@@H]1CCCCC[NH2+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000902483504 1311784229 /nfs/dbraw/zinc/78/42/29/1311784229.db2.gz QXFVVGCLMCTVCG-RDJZCZTQSA-N 1 0 335.467 2.845 20 10 EFCDRO C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCc2cccc(O)c2C1 ZINC001160872125 1311799784 /nfs/dbraw/zinc/79/97/84/1311799784.db2.gz HTCWLWCNVHYKPF-KRWDZBQOSA-N 1 0 344.842 2.761 20 10 EFCDRO [NH3+][C@@H](C(=O)N1CCc2cccc(O)c2C1)C12CC3CC(CC(C3)C1)C2 ZINC001160871919 1311799880 /nfs/dbraw/zinc/79/98/80/1311799880.db2.gz BJUHTWYVEQNMFN-BAMAOYLXSA-N 1 0 340.467 2.821 20 10 EFCDRO O=C(N1CC=CC1)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001277211951 1311810183 /nfs/dbraw/zinc/81/01/83/1311810183.db2.gz SUDWHIYQMSTDAV-WIYYLYMNSA-N 1 0 337.467 2.507 20 10 EFCDRO CC(C)[NH2+]C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001048480724 1311811976 /nfs/dbraw/zinc/81/19/76/1311811976.db2.gz VMZVYTJDSVRLPD-JSGCOSHPSA-N 1 0 331.420 2.555 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC001161134667 1311867112 /nfs/dbraw/zinc/86/71/12/1311867112.db2.gz IHOFMLWHVBNOOJ-IBGZPJMESA-N 1 0 339.483 2.919 20 10 EFCDRO C[C@H](C[N+](C)(C)C)Oc1c(O)c(O)ccc1C(=O)c1ccccc1 ZINC001227940565 1311876502 /nfs/dbraw/zinc/87/65/02/1311876502.db2.gz MMRLSTWTQVVMGS-CYBMUJFWSA-O 1 0 330.404 2.802 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000802658529 1311892622 /nfs/dbraw/zinc/89/26/22/1311892622.db2.gz ABGMNCPRLUGJMR-MRXNPFEDSA-N 1 0 341.411 2.797 20 10 EFCDRO O=C(NC1CCC(F)CC1)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccccc1O ZINC001277440801 1312174486 /nfs/dbraw/zinc/17/44/86/1312174486.db2.gz FLZNNRAQFWPRBW-YHRBYZFPSA-N 1 0 332.419 2.754 20 10 EFCDRO CCN(C(=O)C[C@@H]1C[C@@H]2C[N@H+](Cc3ccccc3O)C[C@@H]2O1)C(C)C ZINC001277442754 1312179415 /nfs/dbraw/zinc/17/94/15/1312179415.db2.gz YXZHIIDPUAHUAZ-AOIWGVFYSA-N 1 0 346.471 2.629 20 10 EFCDRO O=C([C@H]1CC12CC[NH+](Cc1ccccc1O)CC2)N1CCCCO1 ZINC001277445144 1312185555 /nfs/dbraw/zinc/18/55/55/1312185555.db2.gz BGEMNNPKOMFITI-MRXNPFEDSA-N 1 0 330.428 2.548 20 10 EFCDRO O=C([C@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1O)C2)N1CCCCO1 ZINC001277445989 1312188681 /nfs/dbraw/zinc/18/86/81/1312188681.db2.gz KLFYSXFYWPSKPR-YLJYHZDGSA-N 1 0 344.455 2.938 20 10 EFCDRO O=C([C@@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1O)C2)N1CCCCO1 ZINC001277445887 1312188731 /nfs/dbraw/zinc/18/87/31/1312188731.db2.gz KLFYSXFYWPSKPR-PXNSSMCTSA-N 1 0 344.455 2.938 20 10 EFCDRO CCOc1cccc(C[NH2+]C23CC(C(=O)NC(C)(C)C)(C2)C3)c1O ZINC001277454106 1312228827 /nfs/dbraw/zinc/22/88/27/1312228827.db2.gz NQVCURFAUFKWMQ-UHFFFAOYSA-N 1 0 332.444 2.718 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)NC(C)(C)C)c1O ZINC001277454283 1312229558 /nfs/dbraw/zinc/22/95/58/1312229558.db2.gz PUEKNFBGSASTIW-IFXJQAMLSA-N 1 0 332.444 2.670 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@]3(CCC[C@H]3C(=O)N(C)C)C2)c1O ZINC001277454496 1312230688 /nfs/dbraw/zinc/23/06/88/1312230688.db2.gz UIINLRIMEKWAPW-JXFKEZNVSA-N 1 0 346.471 2.871 20 10 EFCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)CSC)CC2)cc1C ZINC001163312444 1312287061 /nfs/dbraw/zinc/28/70/61/1312287061.db2.gz QUHBTVGXGDWGFG-UHFFFAOYSA-N 1 0 336.501 2.743 20 10 EFCDRO CCO[C@@H](C)C(=O)NCCC1(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001163557770 1312337120 /nfs/dbraw/zinc/33/71/20/1312337120.db2.gz OFHPQJTYMFNINN-INIZCTEOSA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)C[C@H](C)OC)CC2)cc1C ZINC001163735846 1312375378 /nfs/dbraw/zinc/37/53/78/1312375378.db2.gz JQENZEOUDMILHS-INIZCTEOSA-N 1 0 348.487 2.805 20 10 EFCDRO CCOC(=O)C[C@@H]1OCCc2cc(N(CCC[NH3+])C(C)C)ccc21 ZINC001164127000 1312453053 /nfs/dbraw/zinc/45/30/53/1312453053.db2.gz NAHUCEZMHBELIT-SFHVURJKSA-N 1 0 334.460 2.817 20 10 EFCDRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccccc1O ZINC000903231555 1312482780 /nfs/dbraw/zinc/48/27/80/1312482780.db2.gz OCVBBFGJBCBRHM-GJZGRUSLSA-N 1 0 348.468 2.800 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c1O ZINC001277520006 1312500227 /nfs/dbraw/zinc/50/02/27/1312500227.db2.gz UUNSLOSSNPUMHH-HDICACEKSA-N 1 0 334.435 2.667 20 10 EFCDRO O=C([O-])c1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c(O)c1 ZINC001231452883 1312500798 /nfs/dbraw/zinc/50/07/98/1312500798.db2.gz WDFSSHADTKLQTA-KRWDZBQOSA-N 1 0 332.444 2.931 20 10 EFCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001231465556 1312504930 /nfs/dbraw/zinc/50/49/30/1312504930.db2.gz FFZKGFFBYJKPDM-HKUYNNGSSA-N 1 0 331.387 2.876 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000903263982 1312519232 /nfs/dbraw/zinc/51/92/32/1312519232.db2.gz NIVVGDFQUZVWEW-XVSDVWIESA-N 1 0 334.435 2.880 20 10 EFCDRO COc1ccc(Br)c(C[N@@H+]2CC[C@@H](O)C[C@H]2C)c1O ZINC001231553740 1312524303 /nfs/dbraw/zinc/52/43/03/1312524303.db2.gz BUTJCSMYIFAWBL-NXEZZACHSA-N 1 0 330.222 2.509 20 10 EFCDRO COc1cc(C[N@@H+]2CCCN(c3ncccc3C)CC2)c(O)cc1O ZINC001231635318 1312536065 /nfs/dbraw/zinc/53/60/65/1312536065.db2.gz GOHVCZSUJVPWJD-UHFFFAOYSA-N 1 0 343.427 2.522 20 10 EFCDRO COc1cc(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(O)cc1O ZINC001231636075 1312537062 /nfs/dbraw/zinc/53/70/62/1312537062.db2.gz QCZQGBUMPTUQFI-HNNXBMFYSA-N 1 0 342.439 2.813 20 10 EFCDRO COc1cc(C[NH+]2CCC(Oc3cccc(C)n3)CC2)c(O)cc1O ZINC001231640150 1312537613 /nfs/dbraw/zinc/53/76/13/1312537613.db2.gz PEMXUPYVGHEERH-UHFFFAOYSA-N 1 0 344.411 2.853 20 10 EFCDRO CCOC(=O)C1(CC)CC[NH+](Cc2cc(OC)c(O)cc2O)CC1 ZINC001231639290 1312537864 /nfs/dbraw/zinc/53/78/64/1312537864.db2.gz OEAWBMMVOMCLDU-UHFFFAOYSA-N 1 0 337.416 2.662 20 10 EFCDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000903299355 1312548741 /nfs/dbraw/zinc/54/87/41/1312548741.db2.gz MGVNUJLXSWJWMQ-MRCXROJRSA-N 1 0 330.222 2.609 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CCC[C@H]3C(N)=O)C2)c(Cl)c1 ZINC001277552405 1312551876 /nfs/dbraw/zinc/55/18/76/1312551876.db2.gz YSJTUYNPFTUQPP-YJBOKZPZSA-N 1 0 335.879 2.884 20 10 EFCDRO Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)Nc3cn[nH]c3)CC2)c(O)c1 ZINC001277559361 1312556932 /nfs/dbraw/zinc/55/69/32/1312556932.db2.gz AMDYULHGBXAKGV-INIZCTEOSA-N 1 0 340.427 2.665 20 10 EFCDRO Cc1noc(NC(=O)C23CC([NH2+]Cc4ccc(C)cc4O)(C2)C3)c1C ZINC001277560340 1312558510 /nfs/dbraw/zinc/55/85/10/1312558510.db2.gz WDRKPIZRWJXZHF-UHFFFAOYSA-N 1 0 341.411 2.956 20 10 EFCDRO Cc1cc(C)c(C[N@@H+]2CCN(Cc3ccccc3)[C@H](CO)C2)c(O)c1 ZINC001231842211 1312572605 /nfs/dbraw/zinc/57/26/05/1312572605.db2.gz KXDNHTQNBZEABW-IBGZPJMESA-N 1 0 340.467 2.688 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2c(C)cc(C)cc2O)Cc2ncn(C)c21 ZINC001231845305 1312573164 /nfs/dbraw/zinc/57/31/64/1312573164.db2.gz XFXVPHFSJVAYTI-HNNXBMFYSA-N 1 0 329.444 2.878 20 10 EFCDRO Cc1cc(C)c(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c(O)c1 ZINC001231844972 1312573666 /nfs/dbraw/zinc/57/36/66/1312573666.db2.gz UQKHPJKBVSIENJ-QLPKVWCKSA-N 1 0 332.444 2.964 20 10 EFCDRO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231852148 1312573857 /nfs/dbraw/zinc/57/38/57/1312573857.db2.gz QYHQAJSPYZHMIS-HNNXBMFYSA-N 1 0 334.460 2.926 20 10 EFCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccn3)C2)c(O)c1 ZINC001231850229 1312573905 /nfs/dbraw/zinc/57/39/05/1312573905.db2.gz MPKGCRGOWCWHCZ-MRXNPFEDSA-N 1 0 339.439 2.798 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC001231851466 1312574000 /nfs/dbraw/zinc/57/40/00/1312574000.db2.gz CLAPDTLRGSMCIK-KRWDZBQOSA-N 1 0 345.487 2.596 20 10 EFCDRO COc1cc(C)nc(O[C@@H]2CC[N@H+](Cc3c(C)cc(C)cc3O)C2)n1 ZINC001231850165 1312574115 /nfs/dbraw/zinc/57/41/15/1312574115.db2.gz KZIVUAAQMJDGOZ-OAHLLOKOSA-N 1 0 343.427 2.769 20 10 EFCDRO COC(=O)c1cnc2c(c1)C[N@@H+](Cc1c(C)cc(C)cc1O)CC2 ZINC001231850235 1312574196 /nfs/dbraw/zinc/57/41/96/1312574196.db2.gz MRYQUNFSEQVUJQ-UHFFFAOYSA-N 1 0 326.396 2.749 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@]2(C1)CCCCN2C(C)=O ZINC001231851625 1312574342 /nfs/dbraw/zinc/57/43/42/1312574342.db2.gz FKGRZAKYPRDLHN-HXUWFJFHSA-N 1 0 345.487 2.738 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC001231853279 1312575164 /nfs/dbraw/zinc/57/51/64/1312575164.db2.gz HZJDCXFRECWIMW-GOSISDBHSA-N 1 0 345.487 2.738 20 10 EFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(c2nc(C)no2)CC1 ZINC001231854990 1312575241 /nfs/dbraw/zinc/57/52/41/1312575241.db2.gz NLHCXWJDMXBZAG-UHFFFAOYSA-N 1 0 330.432 2.832 20 10 EFCDRO Cc1cc(O)c(C[NH+]2CCC(NC(=O)N(C)C)CC2)cc1Cl ZINC001231872011 1312578440 /nfs/dbraw/zinc/57/84/40/1312578440.db2.gz VEHKHAUCQXEWGV-UHFFFAOYSA-N 1 0 325.840 2.590 20 10 EFCDRO COCCCC[NH+]1CCN(Cc2cc(Cl)c(C)cc2O)CC1 ZINC001231870849 1312578711 /nfs/dbraw/zinc/57/87/11/1312578711.db2.gz BMEPRINFVZWTQK-UHFFFAOYSA-N 1 0 326.868 2.898 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]CC2(O)CCC3(CC2)OCCO3)c(O)c1C ZINC000903371340 1312606865 /nfs/dbraw/zinc/60/68/65/1312606865.db2.gz ASKPVLTZKXKWIR-HNNXBMFYSA-N 1 0 335.444 2.708 20 10 EFCDRO CC[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ccc(N(C)C)cc1 ZINC000903374308 1312609770 /nfs/dbraw/zinc/60/97/70/1312609770.db2.gz ICGFAECOLMAZCX-SFHVURJKSA-N 1 0 348.487 2.842 20 10 EFCDRO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232194251 1312646152 /nfs/dbraw/zinc/64/61/52/1312646152.db2.gz GPZHUDBIYIUAOA-HOCLYGCPSA-N 1 0 338.879 2.769 20 10 EFCDRO C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)C[C@H](C)[N@H+]1C ZINC001232200223 1312646772 /nfs/dbraw/zinc/64/67/72/1312646772.db2.gz QKFHEAZLAAPHMT-GASCZTMLSA-N 1 0 337.895 2.701 20 10 EFCDRO C[C@@]1(O)CCCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232195662 1312647428 /nfs/dbraw/zinc/64/74/28/1312647428.db2.gz XHTNTPSRXGVONF-GOSISDBHSA-N 1 0 338.879 2.914 20 10 EFCDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232203277 1312648863 /nfs/dbraw/zinc/64/88/63/1312648863.db2.gz RXLYCBGBTQMHEC-MRXNPFEDSA-N 1 0 337.895 2.703 20 10 EFCDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232260308 1312660282 /nfs/dbraw/zinc/66/02/82/1312660282.db2.gz VBRUVDXUATZPBJ-GOSISDBHSA-N 1 0 344.798 2.847 20 10 EFCDRO COC(=O)CC[N@H+](Cc1ccco1)Cc1cc(Cl)c(O)cc1O ZINC001232261632 1312660790 /nfs/dbraw/zinc/66/07/90/1312660790.db2.gz KWOLDGJEJLKHRN-UHFFFAOYSA-N 1 0 339.775 2.910 20 10 EFCDRO CCN1CC[C@]2(CCC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)C1=O ZINC001232262004 1312660884 /nfs/dbraw/zinc/66/08/84/1312660884.db2.gz XCYOFHKJSGKJJX-KRWDZBQOSA-N 1 0 338.835 2.586 20 10 EFCDRO Cc1cnc(O[C@H]2CCC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)nc1 ZINC001232265051 1312661926 /nfs/dbraw/zinc/66/19/26/1312661926.db2.gz NVYBGWXVCAGWMY-ZDUSSCGKSA-N 1 0 349.818 2.893 20 10 EFCDRO Cc1ccnc(OC2CC[NH+](Cc3cc(Cl)c(O)cc3O)CC2)n1 ZINC001232266847 1312661943 /nfs/dbraw/zinc/66/19/43/1312661943.db2.gz ZXOPHHLKRJNNIT-UHFFFAOYSA-N 1 0 349.818 2.893 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC3(CCCC(=O)N3)CC2)cc1Cl ZINC001232265374 1312662227 /nfs/dbraw/zinc/66/22/27/1312662227.db2.gz JXJSAAWBTCALMD-UHFFFAOYSA-N 1 0 338.835 2.689 20 10 EFCDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232269447 1312662733 /nfs/dbraw/zinc/66/27/33/1312662733.db2.gz AVTLSMSAVPZDEG-CMPLNLGQSA-N 1 0 327.808 2.685 20 10 EFCDRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232268384 1312663028 /nfs/dbraw/zinc/66/30/28/1312663028.db2.gz OYSUXYWLEBCBIK-JTQLQIEISA-N 1 0 327.808 2.915 20 10 EFCDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)c(OC)cc1O)C2 ZINC001232268085 1312663119 /nfs/dbraw/zinc/66/31/19/1312663119.db2.gz LWLHRVIPSXGIGS-GVXVVHGQSA-N 1 0 339.819 2.828 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCN(c3ncccn3)CC2)cc1Cl ZINC001232270162 1312663610 /nfs/dbraw/zinc/66/36/10/1312663610.db2.gz WBYBEHUQMYBSNW-UHFFFAOYSA-N 1 0 348.834 2.557 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3cnccn3)C2)cc1Cl ZINC001232270831 1312663643 /nfs/dbraw/zinc/66/36/43/1312663643.db2.gz JRKKEHGIIGXSPL-CYBMUJFWSA-N 1 0 349.818 2.888 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](Oc3ncc(C)cn3)C2)cc1Cl ZINC001232271205 1312663671 /nfs/dbraw/zinc/66/36/71/1312663671.db2.gz QSDASIXKCGKWHP-ZDUSSCGKSA-N 1 0 349.818 2.806 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3ncccn3)C2)cc1Cl ZINC001232270604 1312664045 /nfs/dbraw/zinc/66/40/45/1312664045.db2.gz HGXLPKSCWVFUIL-ZDUSSCGKSA-N 1 0 349.818 2.888 20 10 EFCDRO COCC[C@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001211170302 1314445324 /nfs/dbraw/zinc/44/53/24/1314445324.db2.gz WXELOIJRGLVRHK-MAUKXSAKSA-N 1 0 348.487 2.757 20 10 EFCDRO COc1c[nH+]ccc1Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001211263896 1314465601 /nfs/dbraw/zinc/46/56/01/1314465601.db2.gz MCORRAPBDUUFND-UHFFFAOYSA-N 1 0 345.358 2.613 20 10 EFCDRO CC[C@H](F)C[NH2+][C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001211344932 1314480721 /nfs/dbraw/zinc/48/07/21/1314480721.db2.gz HCPJTPPBABBHPB-DZGCQCFKSA-N 1 0 349.410 2.791 20 10 EFCDRO O=C(c1ccc(Cl)cc1)c1ccccc1NC[C@@]1(O)CC[NH2+]C1 ZINC001245965255 1314556465 /nfs/dbraw/zinc/55/64/65/1314556465.db2.gz FBAXTCFVUQYMMJ-GOSISDBHSA-N 1 0 330.815 2.707 20 10 EFCDRO COc1cc(N2CC[NH+](C)CC2)ccc1N(C)c1ccc(N)cc1 ZINC001213549244 1314573698 /nfs/dbraw/zinc/57/36/98/1314573698.db2.gz AURSUNJBWLCSPO-UHFFFAOYSA-N 1 0 326.444 2.797 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)cc1C ZINC001020055042 1314590300 /nfs/dbraw/zinc/59/03/00/1314590300.db2.gz DIUWWSZBHUBZFX-SYKYZKJPSA-N 1 0 328.456 2.787 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3ccc(C)o3)C2)cc1C ZINC001020086363 1314605424 /nfs/dbraw/zinc/60/54/24/1314605424.db2.gz CFYAANDRBDZXNR-QAQDUYKDSA-N 1 0 342.439 2.885 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCOCC3)C2)cc1C ZINC001020114990 1314616356 /nfs/dbraw/zinc/61/63/56/1314616356.db2.gz LLCQPWPXTOBYOI-KZNAEPCWSA-N 1 0 346.471 2.557 20 10 EFCDRO CCOc1ccc(N2CCN([C@@H]3CC[NH2+][C@@H](C(C)C)C3)CC2)cc1 ZINC001246948776 1314713063 /nfs/dbraw/zinc/71/30/63/1314713063.db2.gz LQYCXTOPWLQQJO-UYAOXDASSA-N 1 0 331.504 2.984 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H](O)c1cccc(F)c1 ZINC000749116147 1314753822 /nfs/dbraw/zinc/75/38/22/1314753822.db2.gz JGILBAURTYZNOS-QRWLVFNGSA-N 1 0 344.430 2.874 20 10 EFCDRO COc1cc([N+](=O)[O-])c(N2CC[NH2+]C3(CCCCC3)C2)cc1OC ZINC000400688991 1314775881 /nfs/dbraw/zinc/77/58/81/1314775881.db2.gz CKWMUVDSARJVGG-UHFFFAOYSA-N 1 0 335.404 2.725 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3C[NH2+]C[C@H](O)C3)n2)cc1 ZINC001247752904 1314834132 /nfs/dbraw/zinc/83/41/32/1314834132.db2.gz VICLZHLHEOOKOA-NVXWUHKLSA-N 1 0 338.411 2.582 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3CC[NH2+]C[C@H]3O)n2)cc1 ZINC001247757901 1314835338 /nfs/dbraw/zinc/83/53/38/1314835338.db2.gz UFUUVWLLDLLCRK-DLBZAZTESA-N 1 0 338.411 2.582 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)n2)cc1 ZINC001247947081 1314871921 /nfs/dbraw/zinc/87/19/21/1314871921.db2.gz UKSWVDCRILGFGR-HLIPFELVSA-N 1 0 349.438 2.822 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(C3(O)CC[NH2+]CC3)n2)cc1 ZINC001247984456 1314878213 /nfs/dbraw/zinc/87/82/13/1314878213.db2.gz FZYAOVDZESLYOM-UHFFFAOYSA-N 1 0 338.411 2.715 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)c(O)c1 ZINC001249171866 1315028473 /nfs/dbraw/zinc/02/84/73/1315028473.db2.gz GSWWCEGYUIQFFZ-INIZCTEOSA-N 1 0 330.384 2.741 20 10 EFCDRO COC(=O)Cc1ccc(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c(O)c1 ZINC001249178253 1315030068 /nfs/dbraw/zinc/03/00/68/1315030068.db2.gz PORPBLRWDZRZEH-OCCSQVGLSA-N 1 0 325.355 2.585 20 10 EFCDRO COC(=O)Cc1ccc(C[NH+]2CCC(c3ccncc3)CC2)c(O)c1 ZINC001249201555 1315032784 /nfs/dbraw/zinc/03/27/84/1315032784.db2.gz XQOZKCYKJXAXKO-UHFFFAOYSA-N 1 0 340.423 2.882 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c(O)c1 ZINC001249201024 1315032962 /nfs/dbraw/zinc/03/29/62/1315032962.db2.gz BNEQPBHKJOCKEY-IBGZPJMESA-N 1 0 341.407 2.681 20 10 EFCDRO COC(=O)Cc1ccc(C[NH+]2CCc3ccccc3CC2)c(O)c1 ZINC001249201146 1315032996 /nfs/dbraw/zinc/03/29/96/1315032996.db2.gz HLEDAKBRRIWQID-UHFFFAOYSA-N 1 0 325.408 2.709 20 10 EFCDRO COC(=O)Cc1ccc(C[N@H+](C)CCc2cccc(F)c2)c(O)c1 ZINC001249214224 1315034089 /nfs/dbraw/zinc/03/40/89/1315034089.db2.gz IJECXGREMZSAMN-UHFFFAOYSA-N 1 0 331.387 2.921 20 10 EFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249223634 1315034315 /nfs/dbraw/zinc/03/43/15/1315034315.db2.gz KKWQIWKLVZLHLZ-AWEZNQCLSA-N 1 0 331.412 2.961 20 10 EFCDRO CC1(C)C=Cc2c(O)c(C[N@H+]3CCc4nccn4CC3)ccc2O1 ZINC001249252900 1315039627 /nfs/dbraw/zinc/03/96/27/1315039627.db2.gz ZRJNIOWHMBEZMV-UHFFFAOYSA-N 1 0 325.412 2.831 20 10 EFCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCC[C@]4(CNC(=O)O4)C3)ccc2O1 ZINC001249251969 1315039911 /nfs/dbraw/zinc/03/99/11/1315039911.db2.gz CUSBUQMKJQRIHT-IBGZPJMESA-N 1 0 344.411 2.651 20 10 EFCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249252869 1315040157 /nfs/dbraw/zinc/04/01/57/1315040157.db2.gz YJZIFAZIOYDTKT-CQSZACIVSA-N 1 0 331.412 2.961 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC12CC2 ZINC001249263839 1315041481 /nfs/dbraw/zinc/04/14/81/1315041481.db2.gz YXWININWGIDRIK-HNNXBMFYSA-N 1 0 343.423 2.961 20 10 EFCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC12CC2 ZINC001249263840 1315041775 /nfs/dbraw/zinc/04/17/75/1315041775.db2.gz YXWININWGIDRIK-OAHLLOKOSA-N 1 0 343.423 2.961 20 10 EFCDRO COc1c(F)cc(F)cc1-c1noc(C[C@@H]([NH3+])c2ccccc2O)n1 ZINC001249338834 1315055941 /nfs/dbraw/zinc/05/59/41/1315055941.db2.gz FBMRPFKPCPPUJT-CYBMUJFWSA-N 1 0 347.321 2.972 20 10 EFCDRO [NH3+][C@H](Cc1nc(-c2cccc(-n3cccn3)c2)no1)c1ccccc1O ZINC001249338791 1315056526 /nfs/dbraw/zinc/05/65/26/1315056526.db2.gz CFHIVUJMTGWDAX-MRXNPFEDSA-N 1 0 347.378 2.870 20 10 EFCDRO Cn1cncc1C[C@H](N)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217693266 1315101878 /nfs/dbraw/zinc/10/18/78/1315101878.db2.gz JRBSJHFHNIVZEZ-INIZCTEOSA-N 1 0 334.383 2.503 20 10 EFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=S)NCC[NH+](C)C ZINC001249853623 1315146630 /nfs/dbraw/zinc/14/66/30/1315146630.db2.gz QNWXFKDUQOWTMG-INIZCTEOSA-N 1 0 335.517 2.658 20 10 EFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=S)NCC[NH+](C)C ZINC001249853629 1315147046 /nfs/dbraw/zinc/14/70/46/1315147046.db2.gz QNWXFKDUQOWTMG-MRXNPFEDSA-N 1 0 335.517 2.658 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@H]3CC[C@@]34CC[NH2+]C4)ccc21 ZINC001218120864 1315152046 /nfs/dbraw/zinc/15/20/46/1315152046.db2.gz USRQIARTKHSGRV-RXVVDRJESA-N 1 0 333.387 2.983 20 10 EFCDRO CCOC(=O)[C@H](Oc1ccc(N2CC[NH2+]CC2)cc1)c1ccccc1 ZINC001218161346 1315157020 /nfs/dbraw/zinc/15/70/20/1315157020.db2.gz JEBGBUUXPBDZIV-LJQANCHMSA-N 1 0 340.423 2.779 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)ccc(O)c21 ZINC001218185241 1315161215 /nfs/dbraw/zinc/16/12/15/1315161215.db2.gz XFNKJDBCKGATPE-CLLJXQQHSA-N 1 0 349.386 2.829 20 10 EFCDRO O=C1c2cccc(O[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)c2C(=O)c2cccc(O)c21 ZINC001218185898 1315161266 /nfs/dbraw/zinc/16/12/66/1315161266.db2.gz JIBFLNHMBZLWBS-ITGUQSILSA-N 1 0 349.386 2.829 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3C[C@H]4CC[NH2+][C@@H]4C3)ccc(O)c21 ZINC001218247785 1315170700 /nfs/dbraw/zinc/17/07/00/1315170700.db2.gz FAEYPQHQPWCAOW-LALPHHSUSA-N 1 0 349.386 2.687 20 10 EFCDRO Cc1cc(C[NH+]2CCC3(CC2)OCCO3)c(O)cc1Br ZINC001250122427 1315175592 /nfs/dbraw/zinc/17/55/92/1315175592.db2.gz ACRVLJVVPHFIPZ-UHFFFAOYSA-N 1 0 342.233 2.802 20 10 EFCDRO CC[N@H+](CCC(=O)OC)Cc1cc(C)c(Br)cc1O ZINC001250134007 1315177441 /nfs/dbraw/zinc/17/74/41/1315177441.db2.gz VFVNEIQNMQZEMC-UHFFFAOYSA-N 1 0 330.222 2.848 20 10 EFCDRO c1ccc2c(c1)CN1CC[C@H](Oc3ccc(N4CC[NH2+]CC4)cc3)C1=N2 ZINC001218359175 1315184388 /nfs/dbraw/zinc/18/43/88/1315184388.db2.gz PIUNFYLVRSSTRU-FQEVSTJZSA-N 1 0 348.450 2.793 20 10 EFCDRO CCOC(=O)[C@H]1CCC[C@@H](Oc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218390667 1315188711 /nfs/dbraw/zinc/18/87/11/1315188711.db2.gz MQCDBXNTFRWKPO-MAUKXSAKSA-N 1 0 332.444 2.597 20 10 EFCDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1cccc2c1C(=O)c1c(O)cccc1C2=O ZINC001218419515 1315193468 /nfs/dbraw/zinc/19/34/68/1315193468.db2.gz NOWWQBBDHJBWBH-ABAIWWIYSA-N 1 0 337.375 2.544 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@@H]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001218471593 1315201867 /nfs/dbraw/zinc/20/18/67/1315201867.db2.gz HRAWOJVGSWSNQQ-UXEPBGEESA-N 1 0 349.386 2.544 20 10 EFCDRO N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)CC1CC[NH2+]CC1 ZINC001218582146 1315217858 /nfs/dbraw/zinc/21/78/58/1315217858.db2.gz FNJOQQCBQDNTQW-GFIZNMFYSA-N 1 0 338.415 2.995 20 10 EFCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(O)c(Br)cc1O ZINC001276795060 1315240437 /nfs/dbraw/zinc/24/04/37/1315240437.db2.gz BLMFNOSKBYYTRV-YOGCLGLASA-N 1 0 341.249 2.575 20 10 EFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)C[C@H](O)C[NH3+])cc2)cc1 ZINC001219203768 1315290453 /nfs/dbraw/zinc/29/04/53/1315290453.db2.gz NIWCAXBSBVTUPJ-RTLBZRNLSA-N 1 0 339.439 2.571 20 10 EFCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@H](O)COCc1ccco1 ZINC001252637934 1315479171 /nfs/dbraw/zinc/47/91/71/1315479171.db2.gz MVUUCYZMLKENFO-IBGZPJMESA-N 1 0 344.455 2.889 20 10 EFCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H](O)COCc1ccco1 ZINC001252637936 1315479524 /nfs/dbraw/zinc/47/95/24/1315479524.db2.gz MVUUCYZMLKENFO-LJQANCHMSA-N 1 0 344.455 2.889 20 10 EFCDRO CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(O)cc2O)cc1 ZINC001252765002 1315503860 /nfs/dbraw/zinc/50/38/60/1315503860.db2.gz LEICRZIZEWUOPP-QGZVFWFLSA-N 1 0 345.439 2.925 20 10 EFCDRO CCC[C@@H](O)C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001252788492 1315507851 /nfs/dbraw/zinc/50/78/51/1315507851.db2.gz ZAXSFASFBSQAMY-CQSZACIVSA-N 1 0 332.366 2.868 20 10 EFCDRO CCCC[C@H](CC)COC[C@H](O)C[NH2+]Cc1ccc(O)cc1O ZINC001253023537 1315555423 /nfs/dbraw/zinc/55/54/23/1315555423.db2.gz WMYMIHLDHQFIMG-WMLDXEAASA-N 1 0 325.449 2.781 20 10 EFCDRO CCCC[C@H](CC)COC[C@H](O)C[NH2+]Cc1cccc(O)c1O ZINC001253025537 1315556054 /nfs/dbraw/zinc/55/60/54/1315556054.db2.gz MRSDVLCAVRKDIE-GOEBONIOSA-N 1 0 325.449 2.781 20 10 EFCDRO O[C@H](CCOCc1ccccc1)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001253289532 1315590274 /nfs/dbraw/zinc/59/02/74/1315590274.db2.gz SVLRUYKJTFKBLG-LJQANCHMSA-N 1 0 327.424 2.679 20 10 EFCDRO CCCCC[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001253541312 1315614006 /nfs/dbraw/zinc/61/40/06/1315614006.db2.gz KXFSDYSDTRXPBM-INIZCTEOSA-N 1 0 336.476 2.767 20 10 EFCDRO C[C@@H]([NH2+]C[C@](C)(O)C(=O)OCc1ccccc1)c1ccccc1O ZINC001253652850 1315624138 /nfs/dbraw/zinc/62/41/38/1315624138.db2.gz FWAJOGUAQGBBIC-KUHUBIRLSA-N 1 0 329.396 2.537 20 10 EFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C[C@H](O)C(=O)OC(C)(C)C ZINC001253713829 1315630524 /nfs/dbraw/zinc/63/05/24/1315630524.db2.gz KNQNXFWJGYBYGD-WMLDXEAASA-N 1 0 349.471 2.925 20 10 EFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C[C@@H](O)C(=O)OC(C)(C)C ZINC001253713827 1315630562 /nfs/dbraw/zinc/63/05/62/1315630562.db2.gz KNQNXFWJGYBYGD-PBHICJAKSA-N 1 0 349.471 2.925 20 10 EFCDRO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001253831019 1315643454 /nfs/dbraw/zinc/64/34/54/1315643454.db2.gz ULUXYVQFHVDVMO-KRWDZBQOSA-N 1 0 343.423 2.594 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCc3cccc(O)c3C2)CC1=O ZINC001254257677 1315687717 /nfs/dbraw/zinc/68/77/17/1315687717.db2.gz XQFPMJZSQGEXFV-AWEZNQCLSA-N 1 0 346.427 2.676 20 10 EFCDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+]Cc3ccc(O)cc3O)C[C@@H]2C1 ZINC001254890896 1315755624 /nfs/dbraw/zinc/75/56/24/1315755624.db2.gz JZOITILNFFUJRH-FICVDOATSA-N 1 0 348.443 2.833 20 10 EFCDRO CCOc1ccc(N2CC[NH+]([C@H]3C[C@@H]4CC(=O)C[C@@H]4C3)CC2)cc1 ZINC001254964465 1315766877 /nfs/dbraw/zinc/76/68/77/1315766877.db2.gz QPQIOZVFEBKCHA-VQFNDLOPSA-N 1 0 328.456 2.965 20 10 EFCDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001255186147 1315788351 /nfs/dbraw/zinc/78/83/51/1315788351.db2.gz SHNZAZCMQNOBTN-BJWYYQGGSA-N 1 0 330.428 2.863 20 10 EFCDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C2 ZINC001255190733 1315789452 /nfs/dbraw/zinc/78/94/52/1315789452.db2.gz GCTBNJRVCRTYSN-VBUUOAMHSA-N 1 0 331.460 2.994 20 10 EFCDRO CCOC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001255337941 1315805005 /nfs/dbraw/zinc/80/50/05/1315805005.db2.gz WHNQFCFYRJAYJE-MSOLQXFVSA-N 1 0 346.471 2.735 20 10 EFCDRO CCOC(=O)[C@H]1CCC[C@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001255356177 1315808384 /nfs/dbraw/zinc/80/83/84/1315808384.db2.gz HSIWMJXEZADLSC-WMZOPIPTSA-N 1 0 346.471 2.939 20 10 EFCDRO CCOC(=O)[C@H]1CCC[C@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001255375695 1315812308 /nfs/dbraw/zinc/81/23/08/1315812308.db2.gz BYQUCYXRNWHJER-HOCLYGCPSA-N 1 0 333.428 2.968 20 10 EFCDRO CC[N@H+](Cc1ccccc1O)C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255988537 1315889635 /nfs/dbraw/zinc/88/96/35/1315889635.db2.gz PCPMANZGZPCTEN-UHFFFAOYSA-N 1 0 330.350 2.767 20 10 EFCDRO COc1ccc(N2CCN(C3CC[NH+](C4CC4)CC3)CC2)c(C)c1 ZINC001256081608 1315902850 /nfs/dbraw/zinc/90/28/50/1315902850.db2.gz IWKHKKQCMSIJEK-UHFFFAOYSA-N 1 0 329.488 2.752 20 10 EFCDRO C[C@H](Cc1ccccn1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001256418437 1315938809 /nfs/dbraw/zinc/93/88/09/1315938809.db2.gz VWKCWCCEGHQYTB-QGZVFWFLSA-N 1 0 325.456 2.981 20 10 EFCDRO Oc1cc(O)c(CC[NH2+]C2CCN(Cc3ccccc3)CC2)cc1O ZINC001256598362 1315966858 /nfs/dbraw/zinc/96/68/58/1315966858.db2.gz VLIJKTMAAUBSNC-UHFFFAOYSA-N 1 0 342.439 2.600 20 10 EFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)[C@H](C)c3ccccc3)CC2)cc1 ZINC000827311379 1315977725 /nfs/dbraw/zinc/97/77/25/1315977725.db2.gz ZDSFHKNVJKRWND-DYESRHJHSA-N 1 0 340.467 2.982 20 10 EFCDRO Oc1ccc([C@H](O)C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)cc1O ZINC001256782858 1315990924 /nfs/dbraw/zinc/99/09/24/1315990924.db2.gz SDTRTCHJRNFKAY-LZQZEXGQSA-N 1 0 329.396 2.641 20 10 EFCDRO CCOC(=O)C1(C(=O)OCC)CCC([NH2+]Cc2ccccc2O)CC1 ZINC001256991606 1316019658 /nfs/dbraw/zinc/01/96/58/1316019658.db2.gz ZIZGQFXISCTEDI-UHFFFAOYSA-N 1 0 349.427 2.537 20 10 EFCDRO CCOC(=O)[C@H]1CC[C@H]([NH+]2CCN(c3ccc(OCC)cc3)CC2)C1 ZINC001257073250 1316030733 /nfs/dbraw/zinc/03/07/33/1316030733.db2.gz YKVIAVRRPHSYHT-WMZOPIPTSA-N 1 0 346.471 2.939 20 10 EFCDRO C[C@@H](CC(=O)NCc1ccc2c(c1)CCCN2C)[C@H]1CCC[NH2+]C1 ZINC000827913846 1316030744 /nfs/dbraw/zinc/03/07/44/1316030744.db2.gz PYFUOPDIEFKVQP-YJBOKZPZSA-N 1 0 329.488 2.711 20 10 EFCDRO COCCOc1ccc(N2CC[NH+](C3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC001257102452 1316034409 /nfs/dbraw/zinc/03/44/09/1316034409.db2.gz MGNWFXQMGYQCLY-IRXDYDNUSA-N 1 0 348.487 2.790 20 10 EFCDRO O=C(C[NH2+][C@H]1COc2ccc(Cl)cc2C1)c1ccc(O)c(O)c1 ZINC001257949702 1316104897 /nfs/dbraw/zinc/10/48/97/1316104897.db2.gz AWTCCDMSGXPLIW-CYBMUJFWSA-N 1 0 333.771 2.527 20 10 EFCDRO COc1ccc(CC[C@@H](C)[NH2+]CC(=O)c2ccc(O)c(O)c2)cc1 ZINC001258393659 1316147795 /nfs/dbraw/zinc/14/77/95/1316147795.db2.gz YTKHBRZSBXWWAB-CYBMUJFWSA-N 1 0 329.396 2.900 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@H](C)Cc3cccnc3)CC2)c(OC)c1 ZINC001258630643 1316168056 /nfs/dbraw/zinc/16/80/56/1316168056.db2.gz CGDJBIHQYXNQEH-MRXNPFEDSA-N 1 0 341.455 2.852 20 10 EFCDRO CN1CCN(c2ccc(C[N@@H+]3CC[C@H](O)CC(C)(C)C3)cc2F)CC1 ZINC001261256297 1316399055 /nfs/dbraw/zinc/39/90/55/1316399055.db2.gz BDOZMPJMXUUOIX-KRWDZBQOSA-N 1 0 349.494 2.560 20 10 EFCDRO CN(C)c1ccc([C@H](CNc2ccc3c(n2)CCC3=O)[NH+](C)C)cc1 ZINC001262377225 1316464899 /nfs/dbraw/zinc/46/48/99/1316464899.db2.gz PGSBMHFVZWEDHU-SFHVURJKSA-N 1 0 338.455 2.991 20 10 EFCDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(N)cc1)c1cccc(F)c1 ZINC001262560144 1316472047 /nfs/dbraw/zinc/47/20/47/1316472047.db2.gz IEMQPOXUTXNVIY-KRWDZBQOSA-N 1 0 330.407 2.510 20 10 EFCDRO CCCC[N@H+](C)CC1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001262603689 1316475072 /nfs/dbraw/zinc/47/50/72/1316475072.db2.gz RSRFLJNMXSQAMT-UHFFFAOYSA-N 1 0 332.492 2.922 20 10 EFCDRO CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]21 ZINC001042371673 1317230225 /nfs/dbraw/zinc/23/02/25/1317230225.db2.gz UJJKEQDRUGJTRQ-XJKSGUPXSA-N 1 0 343.431 2.795 20 10 EFCDRO Cc1c(C[NH+]2CC3(CCN3CCn3ccnc3)C2)c2ccccc2n1C ZINC001279542447 1317292057 /nfs/dbraw/zinc/29/20/57/1317292057.db2.gz WNJZGFMFLCLNKH-UHFFFAOYSA-N 1 0 349.482 2.644 20 10 EFCDRO Oc1cc2ccccc2cc1C[NH+]1CC2(C1)CCN(Cc1cn[nH]c1)C2 ZINC001279667405 1317353085 /nfs/dbraw/zinc/35/30/85/1317353085.db2.gz RVDIAGVKKMWONJ-UHFFFAOYSA-N 1 0 348.450 2.976 20 10 EFCDRO Cc1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)[nH]n1 ZINC001318787623 1328699190 /nfs/dbraw/zinc/69/91/90/1328699190.db2.gz NKWJJTCHYRDTKC-HNNXBMFYSA-N 1 0 334.851 2.831 20 10 EFCDRO Cc1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)[nH]n1 ZINC001318787624 1328699595 /nfs/dbraw/zinc/69/95/95/1328699595.db2.gz NKWJJTCHYRDTKC-OAHLLOKOSA-N 1 0 334.851 2.831 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2c(C)nn(CCO)c2C)cc1 ZINC001319687207 1328950524 /nfs/dbraw/zinc/95/05/24/1328950524.db2.gz DCWMKUPHODVFAP-UHFFFAOYSA-N 1 0 344.503 2.970 20 10 EFCDRO COc1cc(O)c(C[N@H+](Cc2ccccc2)[C@H](C)CO)cc1OC ZINC001319813482 1329000584 /nfs/dbraw/zinc/00/05/84/1329000584.db2.gz AJSHFRVRLRRXHD-CQSZACIVSA-N 1 0 331.412 2.792 20 10 EFCDRO O=C(NC1CC1)[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001319948339 1329041836 /nfs/dbraw/zinc/04/18/36/1329041836.db2.gz SDGUIICZIXOIFQ-KRWDZBQOSA-N 1 0 327.472 2.777 20 10 EFCDRO CN1CCN(c2ccc(C[N@H+](C)C[C@H]3CCCCO3)cc2F)CC1 ZINC001319948364 1329042384 /nfs/dbraw/zinc/04/23/84/1329042384.db2.gz SWGFXZRLDVGGPK-QGZVFWFLSA-N 1 0 335.467 2.578 20 10 EFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCN(c2cnn(C)c2)C1 ZINC001320125352 1329089910 /nfs/dbraw/zinc/08/99/10/1329089910.db2.gz RNQJDPUIXWDVJK-FMKPAKJESA-N 1 0 326.444 2.851 20 10 EFCDRO CC(C)CNC(=O)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC001320133137 1329094106 /nfs/dbraw/zinc/09/41/06/1329094106.db2.gz OMXDDKDAJXRAJR-JTQLQIEISA-N 1 0 329.238 2.578 20 10 EFCDRO O=C1NCCc2ccc(C[NH2+]Cc3ccc(N4CCCC4)cc3)cc21 ZINC001320140485 1329097150 /nfs/dbraw/zinc/09/71/50/1329097150.db2.gz XIMRZUNLMJXITF-UHFFFAOYSA-N 1 0 335.451 2.863 20 10 EFCDRO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000746674428 1324437155 /nfs/dbraw/zinc/43/71/55/1324437155.db2.gz WTLCTQXVTWCGSV-UHFFFAOYSA-N 1 0 330.388 2.942 20 10 EFCDRO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000747959785 1324592830 /nfs/dbraw/zinc/59/28/30/1324592830.db2.gz UEKPRJREXWRYRQ-UHFFFAOYSA-N 1 0 330.388 2.942 20 10 EFCDRO O=[N+]([O-])c1cc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1N1CCCCC1 ZINC000904420931 1324877063 /nfs/dbraw/zinc/87/70/63/1324877063.db2.gz YXWIDTXRCBZTOG-DLBZAZTESA-N 1 0 344.459 2.626 20 10 EFCDRO CN1CCCc2cc(CNC(=O)N3CC[NH+](C(C)(C)C)CC3)ccc21 ZINC001320794053 1329303021 /nfs/dbraw/zinc/30/30/21/1329303021.db2.gz KVGNVUMMLWTCDZ-UHFFFAOYSA-N 1 0 344.503 2.695 20 10 EFCDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(N2CCCC2)cc1 ZINC001320939641 1329322393 /nfs/dbraw/zinc/32/23/93/1329322393.db2.gz ZFEXOWJBQVRJOZ-SFHVURJKSA-N 1 0 343.515 2.972 20 10 EFCDRO C[C@@H]([NH2+]CCN1CCC(CO)CC1)c1ccc2ccccc2c1O ZINC001321024679 1329332406 /nfs/dbraw/zinc/33/24/06/1329332406.db2.gz UGQVTTQQBZCVMJ-OAHLLOKOSA-N 1 0 328.456 2.900 20 10 EFCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC001321022685 1329332537 /nfs/dbraw/zinc/33/25/37/1329332537.db2.gz HQUAIPLPLFJUAS-BBRMVZONSA-N 1 0 340.423 2.903 20 10 EFCDRO O[C@H](c1ncc[nH]1)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001321501406 1329391547 /nfs/dbraw/zinc/39/15/47/1329391547.db2.gz PHGZFBFLJCRESP-IBGZPJMESA-N 1 0 340.471 2.956 20 10 EFCDRO CN1CCCc2cc(CNC(=O)N[C@H]3CCCC[C@H]3[NH+](C)C)ccc21 ZINC001321730679 1329405352 /nfs/dbraw/zinc/40/53/52/1329405352.db2.gz MZYJEROEFOLYPB-PKOBYXMFSA-N 1 0 344.503 2.741 20 10 EFCDRO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001323285247 1329530994 /nfs/dbraw/zinc/53/09/94/1329530994.db2.gz FCINEFXLABVADM-QGZVFWFLSA-N 1 0 331.460 2.997 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+]CC3CC(F)(F)C3)cc2F)CC1 ZINC001324076916 1329596924 /nfs/dbraw/zinc/59/69/24/1329596924.db2.gz PPURLMMEINLCRU-UHFFFAOYSA-N 1 0 327.394 2.712 20 10 EFCDRO O=C1COc2ccccc2N1CC[NH2+]Cc1c(O)cccc1Cl ZINC001324924585 1329659563 /nfs/dbraw/zinc/65/95/63/1329659563.db2.gz VRVONFDDGYZGGW-UHFFFAOYSA-N 1 0 332.787 2.561 20 10 EFCDRO C[C@H]1C[C@H](CC[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCO1 ZINC001325301227 1329678925 /nfs/dbraw/zinc/67/89/25/1329678925.db2.gz YNTOEMGDCJBRMY-DLBZAZTESA-N 1 0 349.494 2.872 20 10 EFCDRO CC[C@@H](C)[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)OC ZINC001326446324 1329757418 /nfs/dbraw/zinc/75/74/18/1329757418.db2.gz LILOGTMLUQSUHY-BEFAXECRSA-N 1 0 337.483 2.728 20 10 EFCDRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)OC ZINC001326446326 1329757513 /nfs/dbraw/zinc/75/75/13/1329757513.db2.gz LILOGTMLUQSUHY-HNAYVOBHSA-N 1 0 337.483 2.728 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccnn2CC2CC2)cc1 ZINC001327891544 1330527231 /nfs/dbraw/zinc/52/72/31/1330527231.db2.gz LQXVPQZBGYOHIU-UHFFFAOYSA-N 1 0 328.460 2.870 20 10 EFCDRO CCCCNC(=O)CC[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001328603249 1330607555 /nfs/dbraw/zinc/60/75/55/1330607555.db2.gz GMRAGUDYSISQFB-UHFFFAOYSA-N 1 0 333.476 2.514 20 10 EFCDRO CO[C@@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001328654823 1330612656 /nfs/dbraw/zinc/61/26/56/1330612656.db2.gz FIGWGSJMEDSOBR-QGZVFWFLSA-N 1 0 335.467 2.578 20 10 EFCDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1 ZINC001328659921 1330612998 /nfs/dbraw/zinc/61/29/98/1330612998.db2.gz QEECXJGJEYLMBT-QRWLVFNGSA-N 1 0 349.494 2.871 20 10 EFCDRO Cc1ccc(O)c(CNC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001328763501 1330628002 /nfs/dbraw/zinc/62/80/02/1330628002.db2.gz AWQHKRBSRRLMNL-HOTGVXAUSA-N 1 0 333.476 2.868 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cccnc3N(C)C)C2)cc1 ZINC001329039830 1330660256 /nfs/dbraw/zinc/66/02/56/1330660256.db2.gz RSQKCGHKWUBSFX-MRXNPFEDSA-N 1 0 340.471 2.772 20 10 EFCDRO C[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC001329297730 1330691108 /nfs/dbraw/zinc/69/11/08/1330691108.db2.gz DWRCTILWMMOLKD-KPZWWZAWSA-N 1 0 347.409 2.951 20 10 EFCDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC001331414368 1330834734 /nfs/dbraw/zinc/83/47/34/1330834734.db2.gz UCJNAGKTFQWSFN-INIZCTEOSA-N 1 0 326.444 2.703 20 10 EFCDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C12CCC2 ZINC001331469302 1330840958 /nfs/dbraw/zinc/84/09/58/1330840958.db2.gz GUDIAUQXUUACRU-RTBURBONSA-N 1 0 347.478 2.625 20 10 EFCDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001331503237 1330844559 /nfs/dbraw/zinc/84/45/59/1330844559.db2.gz LIOWNZICFAYAOW-QFIPXVFZSA-N 1 0 349.478 2.916 20 10 EFCDRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3cc(C)ccc3O)C2)cc1 ZINC001331580761 1330856033 /nfs/dbraw/zinc/85/60/33/1330856033.db2.gz PZNAVBPDWGGIQX-KRWDZBQOSA-N 1 0 326.396 2.992 20 10 EFCDRO CCOC(=O)c1cc2n(n1)C[C@H](C)N(Cc1cc(C)cc(C)c1O)C2 ZINC001332188755 1330937457 /nfs/dbraw/zinc/93/74/57/1330937457.db2.gz VIIAKMHZPGDTLT-AWEZNQCLSA-N 1 0 343.427 2.787 20 10 EFCDRO C[C@H](NC(=O)[C@H]([NH3+])C1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC001332516832 1330979902 /nfs/dbraw/zinc/97/99/02/1330979902.db2.gz MNBPQGGLHITDGQ-HNAYVOBHSA-N 1 0 345.487 2.608 20 10 EFCDRO C[C@@H](NC(=O)[C@@H]([NH3+])C1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC001332516829 1330979990 /nfs/dbraw/zinc/97/99/90/1330979990.db2.gz MNBPQGGLHITDGQ-BEFAXECRSA-N 1 0 345.487 2.608 20 10 EFCDRO COc1ccc(C[NH2+]CCc2ccc(N(C)C)cc2)c(O)c1OC ZINC001333705916 1331197789 /nfs/dbraw/zinc/19/77/89/1331197789.db2.gz CIAYOHBWEMRSBW-UHFFFAOYSA-N 1 0 330.428 2.808 20 10 EFCDRO Nc1ccc(C[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)cc1 ZINC001334774512 1331305081 /nfs/dbraw/zinc/30/50/81/1331305081.db2.gz KXMAURBUMURAST-UHFFFAOYSA-N 1 0 340.423 2.836 20 10 EFCDRO Oc1cccc(Br)c1C[NH2+]Cc1cnc2n1CCCC2 ZINC001334906871 1331328970 /nfs/dbraw/zinc/32/89/70/1331328970.db2.gz DKGFKJNWZZMLBU-UHFFFAOYSA-N 1 0 336.233 2.977 20 10 EFCDRO Cc1ccc([C@H](CNC(=O)NCc2ccc(N)cc2)[NH+]2CCCC2)o1 ZINC001335397262 1331343123 /nfs/dbraw/zinc/34/31/23/1331343123.db2.gz OFAOPDPEDYANQB-KRWDZBQOSA-N 1 0 342.443 2.807 20 10 EFCDRO Nc1ccc(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001336090320 1331434058 /nfs/dbraw/zinc/43/40/58/1331434058.db2.gz KKUXUKWJDQEDRX-GOSISDBHSA-N 1 0 338.455 2.590 20 10 EFCDRO Nc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC001336118650 1331437115 /nfs/dbraw/zinc/43/71/15/1331437115.db2.gz ZCGIOQFSWSOGLT-INIZCTEOSA-N 1 0 325.460 2.966 20 10 EFCDRO Nc1ccc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC001336225425 1331448370 /nfs/dbraw/zinc/44/83/70/1331448370.db2.gz NDEIXNIQIZZDNB-UHFFFAOYSA-N 1 0 330.476 2.865 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@H](C)C(=O)NCC(F)(F)F)cc1C ZINC001336721831 1331496293 /nfs/dbraw/zinc/49/62/93/1331496293.db2.gz QOXUHYKWXBYCLU-LBPRGKRZSA-N 1 0 332.366 2.940 20 10 EFCDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC001337294858 1331558386 /nfs/dbraw/zinc/55/83/86/1331558386.db2.gz TXDIQFQPGYSVIH-SMDDNHRTSA-N 1 0 331.382 2.860 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C2CCN(c3nccs3)CC2)c1O ZINC001338264033 1331681782 /nfs/dbraw/zinc/68/17/82/1331681782.db2.gz MFACGYOIIAGHFL-UHFFFAOYSA-N 1 0 333.457 2.924 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(N)cc1 ZINC001338580601 1331717879 /nfs/dbraw/zinc/71/78/79/1331717879.db2.gz AUPSQVBNZKDCRA-BEFAXECRSA-N 1 0 338.455 2.589 20 10 EFCDRO CCC(C)(C)[NH+]1CCN(c2nnc(C3SC=CC3=O)n2C)CC1 ZINC001339455092 1331871318 /nfs/dbraw/zinc/87/13/18/1331871318.db2.gz IVVWBALRGFUOPO-UHFFFAOYSA-N 1 0 335.477 2.560 20 10 EFCDRO CCSCCC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001339920435 1332114467 /nfs/dbraw/zinc/11/44/67/1332114467.db2.gz JLJVEMGDPYRKBV-UHFFFAOYSA-N 1 0 325.497 2.810 20 10 EFCDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C3SC=CC3=O)n2CC)C1 ZINC001340027115 1332129833 /nfs/dbraw/zinc/12/98/33/1332129833.db2.gz XCNMYXHHZHVJJZ-CYBMUJFWSA-N 1 0 349.504 2.900 20 10 EFCDRO CC(C)C[C@H]([NH3+])CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001340187449 1332150944 /nfs/dbraw/zinc/15/09/44/1332150944.db2.gz ZUDWROWZHNWJGS-IRXDYDNUSA-N 1 0 334.460 2.663 20 10 EFCDRO CC(C)C[C@H]([NH3+])CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001340187448 1332151005 /nfs/dbraw/zinc/15/10/05/1332151005.db2.gz ZUDWROWZHNWJGS-DLBZAZTESA-N 1 0 334.460 2.663 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](CC[NH3+])C3)ccc21 ZINC001341237761 1332245232 /nfs/dbraw/zinc/24/52/32/1332245232.db2.gz WDVOZYCCVRBTKY-INIZCTEOSA-N 1 0 343.471 2.715 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)cc2N)[NH+](C)C)cc1 ZINC001341999824 1332293591 /nfs/dbraw/zinc/29/35/91/1332293591.db2.gz QWGFZMGIGRHTLI-SFHVURJKSA-N 1 0 344.434 2.507 20 10 EFCDRO CC(C)c1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)[nH]1 ZINC001342710546 1332335765 /nfs/dbraw/zinc/33/57/65/1332335765.db2.gz YWXDEJUNZZTKLU-KRWDZBQOSA-N 1 0 343.475 2.632 20 10 EFCDRO C[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@@H]1CC[NH3+] ZINC001346252567 1332618775 /nfs/dbraw/zinc/61/87/75/1332618775.db2.gz UQLBKRHURLODMA-XJKSGUPXSA-N 1 0 336.455 2.551 20 10 EFCDRO CS(=O)(=O)C[C@H]1CCCCN1Cc1ccc(N2CCCC2)cc1 ZINC001347794032 1332773940 /nfs/dbraw/zinc/77/39/40/1332773940.db2.gz OFPFILUFVNCBTQ-GOSISDBHSA-N 1 0 336.501 2.686 20 10 EFCDRO COCC1CCC([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001348499245 1332843283 /nfs/dbraw/zinc/84/32/83/1332843283.db2.gz NDXQFMHSLWVBTR-UHFFFAOYSA-N 1 0 349.494 2.872 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@H+]2C1 ZINC001348861155 1332877812 /nfs/dbraw/zinc/87/78/12/1332877812.db2.gz QLNCPBBQSMTSOW-LSBZLQRGSA-N 1 0 329.488 2.798 20 10 EFCDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001349838229 1333003321 /nfs/dbraw/zinc/00/33/21/1333003321.db2.gz HMXPENOGWPODOR-INIZCTEOSA-N 1 0 342.462 2.693 20 10 EFCDRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(C)Cc3ccc(N(C)C)cc3)C[N@@H+]2C1 ZINC001350841943 1333140240 /nfs/dbraw/zinc/14/02/40/1333140240.db2.gz KHPWJFBCALISQN-SUMDDJOVSA-N 1 0 329.488 2.831 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c(O)c1OC ZINC001352015612 1333353119 /nfs/dbraw/zinc/35/31/19/1333353119.db2.gz HCFIWXXNUUOKCS-CQSZACIVSA-N 1 0 345.443 2.598 20 10 EFCDRO Cc1coc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1C ZINC001352166853 1333410855 /nfs/dbraw/zinc/41/08/55/1333410855.db2.gz CEFSHZIMVYICBL-KRWDZBQOSA-N 1 0 329.444 2.995 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000847301713 1333508469 /nfs/dbraw/zinc/50/84/69/1333508469.db2.gz BUZRIZOEHTWCOW-WMZOPIPTSA-N 1 0 348.466 2.708 20 10 EFCDRO CCO/C=C/C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000847590969 1333962020 /nfs/dbraw/zinc/96/20/20/1333962020.db2.gz LTEWOCRVTSRUCV-HEWZJLJBSA-N 1 0 338.835 2.676 20 10 EFCDRO CCO/C=C\C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000847590972 1333962354 /nfs/dbraw/zinc/96/23/54/1333962354.db2.gz LTEWOCRVTSRUCV-VIHMKRCTSA-N 1 0 338.835 2.676 20 10 EFCDRO Cc1cn2c(nc(C[NH2+][C@@H](C)c3ccc(N(C)C)cc3)cc2=O)s1 ZINC001354627728 1334422557 /nfs/dbraw/zinc/42/25/57/1334422557.db2.gz XYEXSURPGAJWOA-ZDUSSCGKSA-N 1 0 342.468 2.981 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2ccc(F)cc2)c(O)c1OC ZINC001355255006 1334725822 /nfs/dbraw/zinc/72/58/22/1334725822.db2.gz RLRPOBMDFQDFHV-MEDUHNTESA-N 1 0 335.375 2.760 20 10 EFCDRO CC(C)(C)OC(=O)NOCCC[NH2+]Cc1cc(Cl)ccc1O ZINC001355362157 1334754929 /nfs/dbraw/zinc/75/49/29/1334754929.db2.gz JGPPXFDIGASFAR-UHFFFAOYSA-N 1 0 330.812 2.982 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cncnc3C)C2)cc1 ZINC000848553492 1334791246 /nfs/dbraw/zinc/79/12/46/1334791246.db2.gz OCFAUXLBLHEMFE-ZBFHGGJFSA-N 1 0 326.444 2.971 20 10 EFCDRO COC(=O)Cc1ccccc1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000848571401 1334799649 /nfs/dbraw/zinc/79/96/49/1334799649.db2.gz BGZYNTUOIHCLPQ-ZDUSSCGKSA-N 1 0 329.396 2.967 20 10 EFCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cc2F)C[C@H](C)O1 ZINC000848717334 1334857444 /nfs/dbraw/zinc/85/74/44/1334857444.db2.gz VPCDKNJJDZWZBQ-HDEZJCGLSA-N 1 0 335.467 2.799 20 10 EFCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cc2F)C[C@@H](C)O1 ZINC000848717336 1334857714 /nfs/dbraw/zinc/85/77/14/1334857714.db2.gz VPCDKNJJDZWZBQ-TXCZRRACSA-N 1 0 335.467 2.799 20 10 EFCDRO CCc1cccc(C[N@H+](C)C[C@@H](O)COCc2ccccc2)c1O ZINC000848883513 1334959528 /nfs/dbraw/zinc/95/95/28/1334959528.db2.gz OZUFDCMMUKWMHO-LJQANCHMSA-N 1 0 329.440 2.964 20 10 EFCDRO CCc1cccc(C[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c1O ZINC000848893413 1334967074 /nfs/dbraw/zinc/96/70/74/1334967074.db2.gz WNZHOYWETYLVFC-OAHLLOKOSA-N 1 0 341.455 2.865 20 10 EFCDRO CCc1cccc(C[NH2+]Cc2ccc(OCCO)c(OC)c2)c1O ZINC000848895489 1334968627 /nfs/dbraw/zinc/96/86/27/1334968627.db2.gz VHVBAWGWWRNZAR-UHFFFAOYSA-N 1 0 331.412 2.624 20 10 EFCDRO CCc1cccc(C[NH2+][C@@H]2CCN(c3ccccc3OC)C2=O)c1O ZINC000848897783 1334969269 /nfs/dbraw/zinc/96/92/69/1334969269.db2.gz LTMRTDVONXACSO-MRXNPFEDSA-N 1 0 340.423 2.858 20 10 EFCDRO CCc1cccc(C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c1O ZINC000848898625 1334969883 /nfs/dbraw/zinc/96/98/83/1334969883.db2.gz FMPOKSGVPMUKEQ-CYBMUJFWSA-N 1 0 330.350 2.598 20 10 EFCDRO CCc1cccc(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c1O ZINC000848899970 1334972582 /nfs/dbraw/zinc/97/25/82/1334972582.db2.gz VZCSCXBMVUMDOE-UHFFFAOYSA-N 1 0 331.437 2.574 20 10 EFCDRO CCc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1O ZINC000848913313 1334981899 /nfs/dbraw/zinc/98/18/99/1334981899.db2.gz UBDVXMDUFIRNTJ-GFCCVEGCSA-N 1 0 344.377 2.845 20 10 EFCDRO COCCN(Cc1c([O-])ccc(Cl)c1F)C[C@@H](O)C(F)(F)F ZINC000848922475 1334988210 /nfs/dbraw/zinc/98/82/10/1334988210.db2.gz UAVWBUTZWAEWET-LLVKDONJSA-N 1 0 345.720 2.556 20 10 EFCDRO [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000848930668 1334994193 /nfs/dbraw/zinc/99/41/93/1334994193.db2.gz VFBZCYNMCLKPEE-ZDUSSCGKSA-N 1 0 342.842 2.871 20 10 EFCDRO COCCNC(=[NH2+])NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000848987189 1335026412 /nfs/dbraw/zinc/02/64/12/1335026412.db2.gz SAAVFNUZEPWDMX-CYBMUJFWSA-N 1 0 338.883 2.837 20 10 EFCDRO CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(Cl)cc(Cl)c1[O-] ZINC000849077858 1335070167 /nfs/dbraw/zinc/07/01/67/1335070167.db2.gz QSLNFZIXVDTIOW-LBPRGKRZSA-N 1 0 345.274 2.797 20 10 EFCDRO COc1ccc(CNC(=[NH2+])Nc2cc(OC)ccc2OC)c(O)c1 ZINC000849106733 1335552861 /nfs/dbraw/zinc/55/28/61/1335552861.db2.gz HOHMFLJLSVEYRY-UHFFFAOYSA-N 1 0 331.372 2.554 20 10 EFCDRO CCOc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000849349247 1335596271 /nfs/dbraw/zinc/59/62/71/1335596271.db2.gz XJVDSHVFMASHDB-AWEZNQCLSA-N 1 0 336.432 2.890 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[N@H+](CCCCCF)C2)cc1 ZINC001690112810 1417156587 /nfs/dbraw/zinc/15/65/87/1417156587.db2.gz MNMFNRROTPYOTE-HNNXBMFYSA-N 1 0 349.410 2.793 20 10 EFCDRO COc1ccc(C[NH2+]C2(CNC(=O)C[C@H]3CCOC3)CCC2)cc1C ZINC001700135628 1417578586 /nfs/dbraw/zinc/57/85/86/1417578586.db2.gz FHPWUIKDZSTJSM-QGZVFWFLSA-N 1 0 346.471 2.559 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000160162250 712907704 /nfs/dbraw/zinc/90/77/04/712907704.db2.gz WXOPJPMCCRUMIY-GOSISDBHSA-N 1 0 332.492 2.543 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@@H]3CC[C@H](C)O3)C2)cc1C ZINC001020546400 713134105 /nfs/dbraw/zinc/13/41/05/713134105.db2.gz MXPSTMOVIRNJSB-DKIMLUQUSA-N 1 0 346.471 2.698 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C)[C@@H]3CCCO3)C2)cc1C ZINC001020566828 713207861 /nfs/dbraw/zinc/20/78/61/713207861.db2.gz UISKWXLQXIWHPC-XPYUAMARSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccccc1/C=C1/SC(=S)N(C2CC[NH+](C)CC2)C1=O ZINC000255027981 713314154 /nfs/dbraw/zinc/31/41/54/713314154.db2.gz FAQAWBRYFQDNTE-RVDMUPIBSA-N 1 0 348.493 2.991 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccnc(C)c3)C2)cc1C ZINC001020787030 713398309 /nfs/dbraw/zinc/39/83/09/713398309.db2.gz HTDIIVNBIGTEMP-IYARVYRRSA-N 1 0 339.439 2.758 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3ccco3)C2)cc1C ZINC001020791834 713398933 /nfs/dbraw/zinc/39/89/33/713398933.db2.gz FMMFDUGMQGVRAJ-WKILWMFISA-N 1 0 328.412 2.576 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC34CCC4)C2)cc1C ZINC000970115749 713410603 /nfs/dbraw/zinc/41/06/03/713410603.db2.gz CTMRQDFYRVLRDM-IAGOWNOFSA-N 1 0 328.456 2.884 20 10 EFCDRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000160282904 713490798 /nfs/dbraw/zinc/49/07/98/713490798.db2.gz KPKWCXHHLFSHNM-MRXNPFEDSA-N 1 0 335.469 2.752 20 10 EFCDRO CN(C)[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000078371908 713837411 /nfs/dbraw/zinc/83/74/11/713837411.db2.gz MLXOEOKSGWRTOH-GOSISDBHSA-N 1 0 329.444 2.509 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]3C3CC3)cc2F)CC1 ZINC000177202541 717940539 /nfs/dbraw/zinc/94/05/39/717940539.db2.gz MJIHIVTXNRSUBN-IRXDYDNUSA-N 1 0 345.462 2.630 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc(C=O)s2)[NH+](C)C)cc1 ZINC000891246425 714133618 /nfs/dbraw/zinc/13/36/18/714133618.db2.gz NSDXGNOUWKRASI-INIZCTEOSA-N 1 0 345.468 2.659 20 10 EFCDRO CC(=O)c1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000891246367 714133680 /nfs/dbraw/zinc/13/36/80/714133680.db2.gz BOOIFHGQMYWJRJ-INIZCTEOSA-N 1 0 343.427 2.581 20 10 EFCDRO Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)ns1 ZINC000891247459 714135372 /nfs/dbraw/zinc/13/53/72/714135372.db2.gz HKVDVYCEVDDVIO-INIZCTEOSA-N 1 0 332.473 2.550 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2coc(C3CC3)n2)[NH+](C)C)cc1 ZINC000891249716 714139145 /nfs/dbraw/zinc/13/91/45/714139145.db2.gz VWHNXFVWNBUTPE-KRWDZBQOSA-N 1 0 342.443 2.651 20 10 EFCDRO CC[C@@H]1C[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCO1 ZINC000891249891 714139272 /nfs/dbraw/zinc/13/92/72/714139272.db2.gz XNZUOKSYVAVFBG-UHOSZYNNSA-N 1 0 347.503 2.677 20 10 EFCDRO CCCc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)no1 ZINC000891249664 714139338 /nfs/dbraw/zinc/13/93/38/714139338.db2.gz RUNLNAIWRBYUHR-SFHVURJKSA-N 1 0 344.459 2.726 20 10 EFCDRO CCC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCOCC1 ZINC000891250139 714141764 /nfs/dbraw/zinc/14/17/64/714141764.db2.gz ZNTFMCOUTHLQRB-SFHVURJKSA-N 1 0 347.503 2.678 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)CCCC(=O)C2CC2)[NH+](C)C)cc1 ZINC000891250267 714141954 /nfs/dbraw/zinc/14/19/54/714141954.db2.gz WEKFSEJOWFBGDH-GOSISDBHSA-N 1 0 345.487 2.621 20 10 EFCDRO COc1csc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891251967 714142704 /nfs/dbraw/zinc/14/27/04/714142704.db2.gz ISOGFUUQOSJKQM-INIZCTEOSA-N 1 0 347.484 2.855 20 10 EFCDRO C[C@@H]1CC[C@H](CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)O1 ZINC000891251989 714142978 /nfs/dbraw/zinc/14/29/78/714142978.db2.gz JFABHMIGMTXOAU-LZQZEXGQSA-N 1 0 347.503 2.819 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)CCc2ccco2)[NH+](C)C)cc1 ZINC000891251676 714145313 /nfs/dbraw/zinc/14/53/13/714145313.db2.gz DTILAJWVIJORIL-SFHVURJKSA-N 1 0 329.444 2.697 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)C2CC(F)(F)C2)[NH+](C)C)cc1 ZINC000891252361 714146891 /nfs/dbraw/zinc/14/68/91/714146891.db2.gz JXHPTADGXLIPHA-OAHLLOKOSA-N 1 0 325.403 2.517 20 10 EFCDRO CC(C)COCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255141 714150222 /nfs/dbraw/zinc/15/02/22/714150222.db2.gz NEPPJJLKMCWHDT-SFHVURJKSA-N 1 0 335.492 2.534 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccnc(Cl)c2)[NH+](C)C)cc1 ZINC000891255963 714150633 /nfs/dbraw/zinc/15/06/33/714150633.db2.gz UFHZZCQFNJHCRH-MRXNPFEDSA-N 1 0 346.862 2.834 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(Cl)c[nH]2)[NH+](C)C)cc1 ZINC000891256514 714151032 /nfs/dbraw/zinc/15/10/32/714151032.db2.gz YWVWZKSRLVUBEM-MRXNPFEDSA-N 1 0 334.851 2.767 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(Cl)ccn2)[NH+](C)C)cc1 ZINC000891256414 714151040 /nfs/dbraw/zinc/15/10/40/714151040.db2.gz YHFGTWRMZIHZBV-QGZVFWFLSA-N 1 0 346.862 2.834 20 10 EFCDRO CCCC[NH+]1CC([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970954856 714178308 /nfs/dbraw/zinc/17/83/08/714178308.db2.gz PWPLZQBPRYYPTE-LBPRGKRZSA-N 1 0 331.420 2.699 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160731364 714452078 /nfs/dbraw/zinc/45/20/78/714452078.db2.gz AXANMCQVVKVWMM-QGZVFWFLSA-N 1 0 331.460 2.798 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000067505240 714501864 /nfs/dbraw/zinc/50/18/64/714501864.db2.gz ODVXEAWWSHTEET-AWEZNQCLSA-N 1 0 347.484 2.975 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccccc3O)C2)cc1C ZINC001021851501 714560847 /nfs/dbraw/zinc/56/08/47/714560847.db2.gz WDIFBULXDUPNSW-IYBDPMFKSA-N 1 0 340.423 2.760 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cncs3)C2)cc1C ZINC001021876232 714576130 /nfs/dbraw/zinc/57/61/30/714576130.db2.gz XBWWDIIXDPGAEE-OKILXGFUSA-N 1 0 331.441 2.511 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cnccc3C)C2)cc1C ZINC001021926312 714600509 /nfs/dbraw/zinc/60/05/09/714600509.db2.gz HYCXIZOQOJDICT-CALCHBBNSA-N 1 0 339.439 2.758 20 10 EFCDRO CCN(C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000891532861 714805985 /nfs/dbraw/zinc/80/59/85/714805985.db2.gz MWYBBJHGPLFNCD-IBGZPJMESA-N 1 0 344.503 2.816 20 10 EFCDRO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001022229858 714899871 /nfs/dbraw/zinc/89/98/71/714899871.db2.gz JJAXQROKLCTBBA-VXNCWWDNSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3(C4CC4)CC3)C2)cc1C ZINC001022248235 714919590 /nfs/dbraw/zinc/91/95/90/714919590.db2.gz CXWDGPMFNQASPZ-CALCHBBNSA-N 1 0 328.456 2.931 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3ccccc3)C2)cc1C ZINC001022295692 714982411 /nfs/dbraw/zinc/98/24/11/714982411.db2.gz VLLMTMLQJPARQP-KDURUIRLSA-N 1 0 338.451 2.983 20 10 EFCDRO COC(=O)C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000934036373 715181996 /nfs/dbraw/zinc/18/19/96/715181996.db2.gz JWVVSZIVZSZHCR-KRWDZBQOSA-N 1 0 334.460 2.591 20 10 EFCDRO COC(=O)C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000934036374 715182088 /nfs/dbraw/zinc/18/20/88/715182088.db2.gz JWVVSZIVZSZHCR-QGZVFWFLSA-N 1 0 334.460 2.591 20 10 EFCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C(C)C)C3CCC3)CC2)cc1 ZINC000119713839 715271521 /nfs/dbraw/zinc/27/15/21/715271521.db2.gz LCQPAYATBSVASP-UHFFFAOYSA-N 1 0 345.487 2.607 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@H]3CC[C@H](C)O3)C2)cc1C ZINC001022651714 715275245 /nfs/dbraw/zinc/27/52/45/715275245.db2.gz MXPSTMOVIRNJSB-DZJNRPSUSA-N 1 0 346.471 2.698 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](c2ccsc2)N(C)C)c(O)c1OC ZINC000892507812 718039525 /nfs/dbraw/zinc/03/95/25/718039525.db2.gz CIWANIILDNXNKF-CQSZACIVSA-N 1 0 336.457 2.863 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](OC)C(C)C)C2)cc1C ZINC001027037014 715329919 /nfs/dbraw/zinc/32/99/19/715329919.db2.gz MGRKLGWVHPJTPC-HKUYNNGSSA-N 1 0 348.487 2.613 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)C(C)(F)F)C2)cc1C ZINC000980296784 718042869 /nfs/dbraw/zinc/04/28/69/718042869.db2.gz JHJXFMNNRMMQJJ-DZGCQCFKSA-N 1 0 340.414 2.985 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)C(C2CC2)C2CC2)cc1 ZINC000051558016 715404368 /nfs/dbraw/zinc/40/43/68/715404368.db2.gz FVMUSJIRRWAMBQ-UHFFFAOYSA-N 1 0 329.488 2.831 20 10 EFCDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](CC=C(C)C)[C@H](C)C2)cc(OC)n1 ZINC000947497406 715411614 /nfs/dbraw/zinc/41/16/14/715411614.db2.gz IMQRSWIPSZOQDG-GDBMZVCRSA-N 1 0 347.459 2.648 20 10 EFCDRO CC1(C)CC[C@H](CO)[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000895923838 724396085 /nfs/dbraw/zinc/39/60/85/724396085.db2.gz LYROMNOQYNWSRJ-GOSISDBHSA-N 1 0 332.488 2.631 20 10 EFCDRO CC1(C)CC[C@H](CO)[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000895925528 724396489 /nfs/dbraw/zinc/39/64/89/724396489.db2.gz BZICKEVLOTZIRH-MRXNPFEDSA-N 1 0 336.451 2.645 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CC34CC4)C2)cc1C ZINC001027088268 715520559 /nfs/dbraw/zinc/52/05/59/715520559.db2.gz JFOUUPKLMWQNGV-IAGOWNOFSA-N 1 0 328.456 2.742 20 10 EFCDRO CCn1cccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001023093176 716144033 /nfs/dbraw/zinc/14/40/33/716144033.db2.gz QBDLDOJOCJNBRH-CALCHBBNSA-N 1 0 341.455 2.876 20 10 EFCDRO CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466729 716197442 /nfs/dbraw/zinc/19/74/42/716197442.db2.gz RVCHYLNETLYNJD-MRXNPFEDSA-N 1 0 347.503 2.901 20 10 EFCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)CCCc2ccccc2)cc1 ZINC000052802651 716622022 /nfs/dbraw/zinc/62/20/22/716622022.db2.gz JDHIZXBNIXHQQS-UHFFFAOYSA-N 1 0 339.483 2.933 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)CC3CC3)CC2)cc1 ZINC000162824303 716782240 /nfs/dbraw/zinc/78/22/40/716782240.db2.gz WUXWQCSSTVLOIK-QGZVFWFLSA-N 1 0 331.504 2.986 20 10 EFCDRO C/C=C(\C)C(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000979237199 716824440 /nfs/dbraw/zinc/82/44/40/716824440.db2.gz BTBOKPVEJILBCS-QAKLBFBZSA-N 1 0 346.471 2.675 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C(C)(C)CC(C)(C)C)cc2=O ZINC000125739818 716991209 /nfs/dbraw/zinc/99/12/09/716991209.db2.gz UWRQYPLTERNDFY-UHFFFAOYSA-N 1 0 348.447 2.916 20 10 EFCDRO COc1ccc(N2CCN(C(=O)CC3(C[NH3+])CCCCC3)CC2)cc1 ZINC000185338295 717054365 /nfs/dbraw/zinc/05/43/65/717054365.db2.gz OFXBBHVMGGXHAH-UHFFFAOYSA-N 1 0 345.487 2.643 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2COc3ccccc3C2)c(O)c1OC ZINC000892403167 717054844 /nfs/dbraw/zinc/05/48/44/717054844.db2.gz WNJANGPDJLEUOI-CYBMUJFWSA-N 1 0 329.396 2.750 20 10 EFCDRO CC[C@@H](OC)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001023882787 717106029 /nfs/dbraw/zinc/10/60/29/717106029.db2.gz IBXXIXQFSJAKOJ-ZWKOTPCHSA-N 1 0 348.487 2.757 20 10 EFCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000896962371 723916559 /nfs/dbraw/zinc/91/65/59/723916559.db2.gz NKPZNGNPDFTQKW-JTQLQIEISA-N 1 0 328.206 2.540 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)c3cnco3)C2)cc1C ZINC001024085836 717309063 /nfs/dbraw/zinc/30/90/63/717309063.db2.gz ZHNKEZKWOLNTNR-INIZCTEOSA-N 1 0 343.427 2.634 20 10 EFCDRO COCCOc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)cn1 ZINC000840930157 717311015 /nfs/dbraw/zinc/31/10/15/717311015.db2.gz JWMMJRFFAKHKSS-UHFFFAOYSA-N 1 0 329.444 2.771 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3C)C2)cc1C ZINC001024100209 717330330 /nfs/dbraw/zinc/33/03/30/717330330.db2.gz YKTFZOCMNLVOLS-ZTFGCOKTSA-N 1 0 330.472 2.988 20 10 EFCDRO C[C@H]1CCC[C@@]1(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893607877 717371856 /nfs/dbraw/zinc/37/18/56/717371856.db2.gz MDXCBIUHKROJFO-OXJNMPFZSA-N 1 0 329.488 2.881 20 10 EFCDRO C[NH+]1CCC(CC[NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000105454249 717468538 /nfs/dbraw/zinc/46/85/38/717468538.db2.gz HALNYVMCYBXMBS-UHFFFAOYSA-N 1 0 327.266 2.976 20 10 EFCDRO Cc1nn(C)c(CN(C)c2ccc(OCC[NH+](C)C)cc2)c1Cl ZINC000893574053 717540581 /nfs/dbraw/zinc/54/05/81/717540581.db2.gz UTLPOTSUGXLGRB-UHFFFAOYSA-N 1 0 336.867 2.959 20 10 EFCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000304305228 724450893 /nfs/dbraw/zinc/45/08/93/724450893.db2.gz PEZSEDYMHRKAPP-SFHVURJKSA-N 1 0 332.469 2.582 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)c3cnco3)C2)cc1C ZINC000980665055 717566118 /nfs/dbraw/zinc/56/61/18/717566118.db2.gz IUAGRPOACKXLTA-HOCLYGCPSA-N 1 0 343.427 2.632 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ocnc3C)[C@@H]2C)cc1C ZINC000986100428 724476243 /nfs/dbraw/zinc/47/62/43/724476243.db2.gz JSHIUVIEGIZAQN-ZBFHGGJFSA-N 1 0 343.427 2.693 20 10 EFCDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000310641696 718087713 /nfs/dbraw/zinc/08/77/13/718087713.db2.gz JGEFMIODACPTSZ-HNNXBMFYSA-N 1 0 349.475 2.526 20 10 EFCDRO Cc1ccc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)c(O)c1O ZINC000177676837 718158489 /nfs/dbraw/zinc/15/84/89/718158489.db2.gz YPKMMNMSFSGKLR-UHFFFAOYSA-N 1 0 332.444 2.744 20 10 EFCDRO CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001024819501 718176342 /nfs/dbraw/zinc/17/63/42/718176342.db2.gz PTJMJPKPPGVUCY-HNNXBMFYSA-N 1 0 331.420 2.843 20 10 EFCDRO O=C1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1c1c(F)cccc1F ZINC000180222146 718307660 /nfs/dbraw/zinc/30/76/60/718307660.db2.gz KLNMXRWWTWZQJG-CQSZACIVSA-N 1 0 344.361 2.795 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892601988 718328548 /nfs/dbraw/zinc/32/85/48/718328548.db2.gz QUAGIAOZCPIOOL-ACHSLPGTSA-N 1 0 331.460 2.844 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)c(O)c1OC ZINC000892626223 718353616 /nfs/dbraw/zinc/35/36/16/718353616.db2.gz OXPSJUQTLKGSON-INIZCTEOSA-N 1 0 348.418 2.941 20 10 EFCDRO CC(C)[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000981539857 718798654 /nfs/dbraw/zinc/79/86/54/718798654.db2.gz ABYJCRVXZJLARO-CABCVRRESA-N 1 0 331.420 2.888 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000168978226 718823725 /nfs/dbraw/zinc/82/37/25/718823725.db2.gz FXYHLWWOLPPXAU-ZCNNSNEGSA-N 1 0 342.483 2.961 20 10 EFCDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000840891458 718941759 /nfs/dbraw/zinc/94/17/59/718941759.db2.gz TYNYETPDQZHSKS-VHSXEESVSA-N 1 0 329.238 2.718 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](CCO)c2ccccc2)c(O)c1OC ZINC000893013895 719452045 /nfs/dbraw/zinc/45/20/45/719452045.db2.gz NRBLPPZMHBFRIS-OAHLLOKOSA-N 1 0 331.412 2.665 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2cc(C)oc2C)c(O)c1OC ZINC000893045736 719527999 /nfs/dbraw/zinc/52/79/99/719527999.db2.gz VWMNQAPMVAPPEP-GOSISDBHSA-N 1 0 335.400 2.617 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)C4CC4)C[C@H]23)cc1C ZINC001026166033 719831144 /nfs/dbraw/zinc/83/11/44/719831144.db2.gz SLSWKBOMJUORHA-FGTMMUONSA-N 1 0 328.456 2.740 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)C(C)C)C[C@H]23)cc1C ZINC001026200961 719916092 /nfs/dbraw/zinc/91/60/92/719916092.db2.gz OQICUOFQVKWPNX-FGTMMUONSA-N 1 0 330.472 2.986 20 10 EFCDRO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(F)c1 ZINC000180605362 719954564 /nfs/dbraw/zinc/95/45/64/719954564.db2.gz FCZAUJKDJWXANS-DYLHUKMJSA-N 1 0 344.386 2.669 20 10 EFCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000840975114 719957972 /nfs/dbraw/zinc/95/79/72/719957972.db2.gz KSBCNHYKRKXLQT-HNNXBMFYSA-N 1 0 342.233 2.930 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)cc1 ZINC000840976835 720006000 /nfs/dbraw/zinc/00/60/00/720006000.db2.gz YFDUBMMSTRJESP-UHFFFAOYSA-N 1 0 338.517 2.837 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000182404799 720125447 /nfs/dbraw/zinc/12/54/47/720125447.db2.gz MOPHIXKKACHZOO-GTNSWQLSSA-N 1 0 332.356 2.693 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2C)c1 ZINC000182428701 720129856 /nfs/dbraw/zinc/12/98/56/720129856.db2.gz SMJGMRVCASVZSJ-LSDHHAIUSA-N 1 0 331.412 2.800 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000893976234 720192520 /nfs/dbraw/zinc/19/25/20/720192520.db2.gz OZWOQWRSVWBIMZ-JZXOWHBKSA-N 1 0 348.487 2.783 20 10 EFCDRO CC[C@@H](C)c1nnc([C@@H](C)NCc2ccc(OC)c(OC)c2O)[nH]1 ZINC000894010957 720212024 /nfs/dbraw/zinc/21/20/24/720212024.db2.gz YSXJHAABBTVXOH-GHMZBOCLSA-N 1 0 334.420 2.892 20 10 EFCDRO CC[C@@H](C)c1nnc([C@H](C)NCc2ccc(OC)c(OC)c2O)[nH]1 ZINC000894010959 720212101 /nfs/dbraw/zinc/21/21/01/720212101.db2.gz YSXJHAABBTVXOH-MNOVXSKESA-N 1 0 334.420 2.892 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc(C)c2O)C[C@H]1c1ccc(O)cc1 ZINC000295938551 720229272 /nfs/dbraw/zinc/22/92/72/720229272.db2.gz GFTWKFONASPDMA-ZWKOTPCHSA-N 1 0 341.407 2.795 20 10 EFCDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2cc(C)cc(OC)c2O)cc1 ZINC000894027638 720239913 /nfs/dbraw/zinc/23/99/13/720239913.db2.gz SBSJNYVLWFMNKY-QGZVFWFLSA-N 1 0 331.412 2.883 20 10 EFCDRO CN(CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)CC1CC1 ZINC000053183702 720250287 /nfs/dbraw/zinc/25/02/87/720250287.db2.gz OBRVNDZSKNTJMS-UHFFFAOYSA-N 1 0 348.402 2.742 20 10 EFCDRO COc1cc(C)cc(CN2CCOC[C@@H]2c2c(C)n[nH]c2C)c1O ZINC000894096026 720281754 /nfs/dbraw/zinc/28/17/54/720281754.db2.gz SYYFDYCTOMEKCU-OAHLLOKOSA-N 1 0 331.416 2.623 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)CC(C)(C)[NH3+] ZINC000178634225 720289372 /nfs/dbraw/zinc/28/93/72/720289372.db2.gz SFXDPOZRARNYLW-UHFFFAOYSA-N 1 0 329.238 2.631 20 10 EFCDRO CC[C@@H](F)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028344861 720530212 /nfs/dbraw/zinc/53/02/12/720530212.db2.gz QCQJAPAQBOKXRU-HIFRSBDPSA-N 1 0 349.410 2.791 20 10 EFCDRO C[C@@H](CC(=O)NCc1ccc(N2CCCC2)cc1)C1CC[NH2+]CC1 ZINC000178710998 720564716 /nfs/dbraw/zinc/56/47/16/720564716.db2.gz SABWLDUACNEHKG-INIZCTEOSA-N 1 0 329.488 2.929 20 10 EFCDRO CCC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]21 ZINC001026429907 720565044 /nfs/dbraw/zinc/56/50/44/720565044.db2.gz GROBQNDLFLBMGY-NUEKZKHPSA-N 1 0 343.431 2.699 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000178711491 720580061 /nfs/dbraw/zinc/58/00/61/720580061.db2.gz ZQQKFUMENXTYLU-LJQANCHMSA-N 1 0 325.456 2.892 20 10 EFCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)[C@@H]3CCCO3)CC2)cc1C ZINC001026447335 720608396 /nfs/dbraw/zinc/60/83/96/720608396.db2.gz DXZYJVHETXDCBM-TVPLGVNVSA-N 1 0 346.471 2.700 20 10 EFCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)[C@H]3CCOC3)CC2)cc1C ZINC001026463812 720635728 /nfs/dbraw/zinc/63/57/28/720635728.db2.gz KKTLBESKRWBEQL-AOCRQIFASA-N 1 0 346.471 2.557 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C(C)(F)F)C2)cc1C ZINC001026641182 720883338 /nfs/dbraw/zinc/88/33/38/720883338.db2.gz KUVYBWBNCQQMDB-CQSZACIVSA-N 1 0 326.387 2.597 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3cccnc3)C2)cc1C ZINC001026648225 720889696 /nfs/dbraw/zinc/88/96/96/720889696.db2.gz PWAIXHAWDJVTJI-QGZVFWFLSA-N 1 0 339.439 2.651 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3cccn3C)C2)cc1C ZINC001026692374 720937025 /nfs/dbraw/zinc/93/70/25/720937025.db2.gz RBTLJGVSKIWAFV-KRWDZBQOSA-N 1 0 341.455 2.594 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C[C@H]3CCCO3)C2)cc1C ZINC001026703988 720947229 /nfs/dbraw/zinc/94/72/29/720947229.db2.gz PONMHIONXSHNRO-QZTJIDSGSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CC(F)(F)F)C2)cc1C ZINC001026720273 720970869 /nfs/dbraw/zinc/97/08/69/720970869.db2.gz WLTHBOYBBHKZTB-CQSZACIVSA-N 1 0 344.377 2.894 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)cc1C ZINC001026760735 721057537 /nfs/dbraw/zinc/05/75/37/721057537.db2.gz DXXIWPTWCKIADK-PNYFIKQUSA-N 1 0 342.483 2.988 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+]C(C3CC3)C3CC3)CC2)cc1 ZINC000162795058 721143760 /nfs/dbraw/zinc/14/37/60/721143760.db2.gz YEBXEGFOUVBJHV-UHFFFAOYSA-N 1 0 343.515 2.986 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1O ZINC000894190346 721188690 /nfs/dbraw/zinc/18/86/90/721188690.db2.gz NVLCJDBWGGOZLI-LBPRGKRZSA-N 1 0 332.366 2.683 20 10 EFCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(-n3ccnc3C)nc2)c1O ZINC000894196954 721190760 /nfs/dbraw/zinc/19/07/60/721190760.db2.gz JRQQYHMOOWGVGQ-UHFFFAOYSA-N 1 0 338.411 2.888 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCNC(=O)c2cccc(C)c2)c1O ZINC000894199283 721192756 /nfs/dbraw/zinc/19/27/56/721192756.db2.gz LTOIVQYOIJOTQU-UHFFFAOYSA-N 1 0 328.412 2.537 20 10 EFCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)c1 ZINC000178858219 721202351 /nfs/dbraw/zinc/20/23/51/721202351.db2.gz YMQOQERXBCWQED-UHFFFAOYSA-N 1 0 338.451 2.896 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1O)[C@H](O)C(F)(F)F ZINC000877693612 721203032 /nfs/dbraw/zinc/20/30/32/721203032.db2.gz LXAFPACUIGPKAL-LDWIPMOCSA-N 1 0 328.128 2.556 20 10 EFCDRO COc1cc(C)cc(C[NH2+]Cc2cccc(C(=O)NC3CC3)c2)c1O ZINC000894207409 721208770 /nfs/dbraw/zinc/20/87/70/721208770.db2.gz WEPDIYAJYUINID-UHFFFAOYSA-N 1 0 340.423 2.891 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3cc[nH]c3)C2)cc1C ZINC001026862141 721260551 /nfs/dbraw/zinc/26/05/51/721260551.db2.gz XTXKKALRFRBOIA-INIZCTEOSA-N 1 0 327.428 2.584 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(c3ccccc3)C2=O)c1O ZINC000894226240 721311121 /nfs/dbraw/zinc/31/11/21/721311121.db2.gz OZELMSFIIIGWMT-INIZCTEOSA-N 1 0 326.396 2.604 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3ccco3)C2)cc1C ZINC000983017027 721762747 /nfs/dbraw/zinc/76/27/47/721762747.db2.gz AFLDYFTYKIDKNQ-WKILWMFISA-N 1 0 328.412 2.895 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCc3ccccc3OC2)c(O)c1OC ZINC000894264278 721787191 /nfs/dbraw/zinc/78/71/91/721787191.db2.gz LRALIDYKCMVMDZ-OAHLLOKOSA-N 1 0 329.396 2.893 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3cc(C)on3)C2)cc1C ZINC000983104931 721811468 /nfs/dbraw/zinc/81/14/68/721811468.db2.gz HENNJTAGVZPIHS-WKILWMFISA-N 1 0 343.427 2.598 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@H]2C[C@H](C)N(c3ccccc3)C2=O)c1O ZINC000894305128 722029294 /nfs/dbraw/zinc/02/92/94/722029294.db2.gz WSIIFWOBQUYYTM-YOEHRIQHSA-N 1 0 340.423 2.993 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC3CCC3)C2)cc1 ZINC001029013802 722637377 /nfs/dbraw/zinc/63/73/77/722637377.db2.gz HXVPEEOOQMBCQW-AWEZNQCLSA-N 1 0 343.431 2.701 20 10 EFCDRO CCCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029014280 722641686 /nfs/dbraw/zinc/64/16/86/722641686.db2.gz UFFBBLHFANFAQR-ZDUSSCGKSA-N 1 0 331.420 2.701 20 10 EFCDRO CCc1ccc([C@@H](O)C[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000894392055 722689118 /nfs/dbraw/zinc/68/91/18/722689118.db2.gz XANOSYABCXYJIR-INIZCTEOSA-N 1 0 331.412 2.795 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)c1O ZINC000894472576 722746559 /nfs/dbraw/zinc/74/65/59/722746559.db2.gz YWVJLJBYFRPICT-INIZCTEOSA-N 1 0 349.452 2.585 20 10 EFCDRO CN(C)c1ccc(CN(C(=S)NCCC[NH+](C)C)C2CC2)cc1 ZINC000917593012 728763077 /nfs/dbraw/zinc/76/30/77/728763077.db2.gz BVXCOPQGDOSJQM-UHFFFAOYSA-N 1 0 334.533 2.543 20 10 EFCDRO COC(=O)[C@@](C)(C[NH2+]Cc1cc(C)cc(OC)c1O)c1ccccc1 ZINC000894537070 722775406 /nfs/dbraw/zinc/77/54/06/722775406.db2.gz HFUMRJTZNQYILX-FQEVSTJZSA-N 1 0 343.423 2.930 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c(O)c1OC ZINC000894539180 722775949 /nfs/dbraw/zinc/77/59/49/722775949.db2.gz SEKKLMSUVBCJFI-OXQOHEQNSA-N 1 0 343.423 2.665 20 10 EFCDRO COc1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c(O)c1OC ZINC000894539172 722776110 /nfs/dbraw/zinc/77/61/10/722776110.db2.gz SEKKLMSUVBCJFI-JXFKEZNVSA-N 1 0 343.423 2.665 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2COc3c(C)cccc3C2)c(O)c1OC ZINC000894557230 722778467 /nfs/dbraw/zinc/77/84/67/722778467.db2.gz YLEMFCLLUPZLME-HNNXBMFYSA-N 1 0 329.396 2.811 20 10 EFCDRO COc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(O)c1OC ZINC000894553967 722781237 /nfs/dbraw/zinc/78/12/37/722781237.db2.gz VYQJALXZBFZXJZ-YJBOKZPZSA-N 1 0 333.428 2.943 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCOCC(F)(F)C(F)F)c1O ZINC000894569610 722785127 /nfs/dbraw/zinc/78/51/27/722785127.db2.gz IFVOTIUTVZEYOO-UHFFFAOYSA-N 1 0 325.302 2.716 20 10 EFCDRO COc1ccc(CN2CC[N@H+](C)Cc3ccccc32)c(O)c1OC ZINC000894600554 722789287 /nfs/dbraw/zinc/78/92/87/722789287.db2.gz CXJUGZRVNLAWNG-UHFFFAOYSA-N 1 0 328.412 2.861 20 10 EFCDRO OCC1([C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C2CC2)CCOCC1 ZINC000894639010 722805351 /nfs/dbraw/zinc/80/53/51/722805351.db2.gz NCHJSQHYMKRHOZ-LJQANCHMSA-N 1 0 331.456 2.669 20 10 EFCDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000894739223 722834034 /nfs/dbraw/zinc/83/40/34/722834034.db2.gz ATTCMSYACYCKHD-HNNXBMFYSA-N 1 0 336.432 2.810 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1O ZINC000894816830 722857640 /nfs/dbraw/zinc/85/76/40/722857640.db2.gz WSKZUQGZHHVYAZ-FQEVSTJZSA-N 1 0 327.424 2.845 20 10 EFCDRO COc1cc(C)cc(C[NH2+]Cc2cc(C)nc(N3CCCC3)n2)c1O ZINC000894848819 722894069 /nfs/dbraw/zinc/89/40/69/722894069.db2.gz OWGQIEAEUZZVJA-UHFFFAOYSA-N 1 0 342.443 2.698 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)c1O ZINC000894857442 722900813 /nfs/dbraw/zinc/90/08/13/722900813.db2.gz MMRXCJPUCWPLCF-GOSISDBHSA-N 1 0 330.428 2.954 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c(O)c1OC ZINC000894868040 722922539 /nfs/dbraw/zinc/92/25/39/722922539.db2.gz XCBUOEIXYQNUDC-JKSUJKDBSA-N 1 0 335.444 2.782 20 10 EFCDRO CC[NH2+][C@@H](C)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001029174309 722942460 /nfs/dbraw/zinc/94/24/60/722942460.db2.gz AKOPCYJQZDPAGK-LBPRGKRZSA-N 1 0 331.420 2.699 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000141066909 723010157 /nfs/dbraw/zinc/01/01/57/723010157.db2.gz XNJWFJQRUQHSAD-HKUYNNGSSA-N 1 0 344.503 2.687 20 10 EFCDRO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1cc(F)cc(F)c1[O-] ZINC000894969148 723038545 /nfs/dbraw/zinc/03/85/45/723038545.db2.gz IQOAZOJAMHKRBC-UHFFFAOYSA-N 1 0 339.386 2.669 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)c1O ZINC000895001712 723045737 /nfs/dbraw/zinc/04/57/37/723045737.db2.gz UGFFBDCYEAPVKP-INIZCTEOSA-N 1 0 332.444 2.686 20 10 EFCDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000895005327 723046682 /nfs/dbraw/zinc/04/66/82/723046682.db2.gz XQCKLCFAPLXCJK-SFHVURJKSA-N 1 0 330.815 2.675 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(OC)cn3)C2)cc1 ZINC000895006425 723046898 /nfs/dbraw/zinc/04/68/98/723046898.db2.gz QVCUQJCLMSKGFL-HNNXBMFYSA-N 1 0 327.428 2.715 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC2CC=CC2)[NH+](C)C)cc1 ZINC000895962333 723068438 /nfs/dbraw/zinc/06/84/38/723068438.db2.gz YUACONXZJJBNIN-GOSISDBHSA-N 1 0 330.476 2.621 20 10 EFCDRO COc1ccc(N2CCC(NC(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)CC2)cc1 ZINC000896086747 723124960 /nfs/dbraw/zinc/12/49/60/723124960.db2.gz IFZNSOUMVZCLIE-SFHVURJKSA-N 1 0 345.487 2.653 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H](CNC(C)=O)C3)c2c1 ZINC000067382673 723139362 /nfs/dbraw/zinc/13/93/62/723139362.db2.gz WSNBPBAZVQZZOA-OAHLLOKOSA-N 1 0 342.439 2.902 20 10 EFCDRO Cc1ccc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000896124725 723143033 /nfs/dbraw/zinc/14/30/33/723143033.db2.gz HYDHSZZTOBOKNS-GOSISDBHSA-N 1 0 344.459 2.756 20 10 EFCDRO CCC[N@H+](CC(=O)Nc1c(C)nn(C)c1C)Cc1ccccc1O ZINC000727831170 723186659 /nfs/dbraw/zinc/18/66/59/723186659.db2.gz LQFLBTMGHPQNCK-UHFFFAOYSA-N 1 0 330.432 2.593 20 10 EFCDRO CCOC(=O)N(C)C1CC[NH+](Cc2cc(OC)c(C)cc2O)CC1 ZINC000160111412 723369236 /nfs/dbraw/zinc/36/92/36/723369236.db2.gz WVKIXFYZFUSDIP-UHFFFAOYSA-N 1 0 336.432 2.762 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cnn(C)c2C2CC2)cc1 ZINC000895154574 723478675 /nfs/dbraw/zinc/47/86/75/723478675.db2.gz ZAVNEZROAVSHHP-UHFFFAOYSA-N 1 0 328.460 2.874 20 10 EFCDRO C[NH+](C)CC(C)(C)CNC(=S)NCc1ccc(N2CCCC2)cc1 ZINC000727074387 723484808 /nfs/dbraw/zinc/48/48/08/723484808.db2.gz GUIFYODUROMQHE-UHFFFAOYSA-N 1 0 348.560 2.839 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)c1O ZINC000896907424 723849121 /nfs/dbraw/zinc/84/91/21/723849121.db2.gz MXDNIZMNUQCKJF-CQSZACIVSA-N 1 0 336.432 2.808 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)Cc3ccc[nH]3)C2)cc1C ZINC000985143880 723881755 /nfs/dbraw/zinc/88/17/55/723881755.db2.gz UHDUPZRIFYWFID-SAABIXHNSA-N 1 0 341.455 2.559 20 10 EFCDRO COc1ccc(C[NH2+]Cc2cccnc2N2CCCC2)c(O)c1OC ZINC000895319917 724027389 /nfs/dbraw/zinc/02/73/89/724027389.db2.gz KASSYHIEISTMSW-UHFFFAOYSA-N 1 0 343.427 2.694 20 10 EFCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CCO[C@H]1CCOC1 ZINC000897202809 724080071 /nfs/dbraw/zinc/08/00/71/724080071.db2.gz YPVIZVODEBJIRK-IBGZPJMESA-N 1 0 343.423 2.866 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000895415252 724124041 /nfs/dbraw/zinc/12/40/41/724124041.db2.gz SLVIAPMKLMMFJU-CQSZACIVSA-N 1 0 336.432 2.808 20 10 EFCDRO COc1cc(C)cc(C[NH+]2CCN(Cc3ccc(O)cc3)CC2)c1O ZINC000895451326 724139971 /nfs/dbraw/zinc/13/99/71/724139971.db2.gz IBVZBOMGKHSMKD-UHFFFAOYSA-N 1 0 342.439 2.733 20 10 EFCDRO Cc1cccc(C[NH2+]C[C@H]2CC(c3ccc4c(c3)CCO4)=NO2)c1O ZINC000895505411 724164697 /nfs/dbraw/zinc/16/46/97/724164697.db2.gz RNBHEXNISHZHHL-QGZVFWFLSA-N 1 0 338.407 2.918 20 10 EFCDRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3cc(F)ccc3O)C2)cc1 ZINC000895496972 724167864 /nfs/dbraw/zinc/16/78/64/724167864.db2.gz XMVYJEYDTXXQRV-INIZCTEOSA-N 1 0 330.359 2.823 20 10 EFCDRO CCO/C=C/[C@](O)(C[NH2+]Cc1c(O)cccc1Cl)C(F)(F)F ZINC000895707706 724266685 /nfs/dbraw/zinc/26/66/85/724266685.db2.gz MLQDLOWEUNTADU-YBJDMEARSA-N 1 0 339.741 2.979 20 10 EFCDRO CCO/C=C/[C@](O)(C[NH2+]Cc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000895718265 724278080 /nfs/dbraw/zinc/27/80/80/724278080.db2.gz LYJVYCXAAFNQJV-DYLHUKMJSA-N 1 0 345.361 2.945 20 10 EFCDRO Cc1cccc(OC[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCCN3C)c1 ZINC000727644448 724283213 /nfs/dbraw/zinc/28/32/13/724283213.db2.gz FJPHSHYVKNSZBR-IBGZPJMESA-N 1 0 340.467 2.907 20 10 EFCDRO CN1CCCc2cc(C[NH2+]C[C@H](O)COc3ccccc3)ccc21 ZINC000727645164 724283800 /nfs/dbraw/zinc/28/38/00/724283800.db2.gz RSLGEVQDONDGBP-SFHVURJKSA-N 1 0 326.440 2.599 20 10 EFCDRO CC1=CC[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000895815089 724328897 /nfs/dbraw/zinc/32/88/97/724328897.db2.gz ZLJXELGLOKQEMG-GOSISDBHSA-N 1 0 327.472 2.977 20 10 EFCDRO Cc1cc(C(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)n1-c1ccc(C)cc1 ZINC000728914697 724885385 /nfs/dbraw/zinc/88/53/85/724885385.db2.gz UIWFHOMWHJXXBR-QZTJIDSGSA-N 1 0 337.467 2.736 20 10 EFCDRO Cc1cc(C(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccc(C)cc1 ZINC000728914698 724885413 /nfs/dbraw/zinc/88/54/13/724885413.db2.gz UIWFHOMWHJXXBR-ROUUACIJSA-N 1 0 337.467 2.736 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccccn3)[C@H]2C)cc1C ZINC000985883527 724945004 /nfs/dbraw/zinc/94/50/04/724945004.db2.gz HGMZQZLZUQUTEK-RDJZCZTQSA-N 1 0 339.439 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cccnc3)[C@H]2C)cc1C ZINC000985894547 724955718 /nfs/dbraw/zinc/95/57/18/724955718.db2.gz DMGSMCCPDBCHSG-MAUKXSAKSA-N 1 0 339.439 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccc[nH]3)[C@@H]2C)cc1C ZINC000985982318 724998609 /nfs/dbraw/zinc/99/86/09/724998609.db2.gz MREDTRPYVZWEIL-GDBMZVCRSA-N 1 0 327.428 2.725 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cncs3)[C@@H]2C)cc1C ZINC000986040501 725022777 /nfs/dbraw/zinc/02/27/77/725022777.db2.gz KPGQGDLPNIPFFE-UKRRQHHQSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C(F)F)C2)cc1C ZINC000994597320 728949451 /nfs/dbraw/zinc/94/94/51/728949451.db2.gz NEHHMRQTERASIE-ZIAGYGMSSA-N 1 0 326.387 2.643 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3nocc3C)[C@@H]2C)cc1C ZINC000987318660 725642954 /nfs/dbraw/zinc/64/29/54/725642954.db2.gz LYBAEYGVUAZIHE-GDBMZVCRSA-N 1 0 343.427 2.693 20 10 EFCDRO C[C@H]1CC[N@H+](CCNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000897428763 725731134 /nfs/dbraw/zinc/73/11/34/725731134.db2.gz RGGOZJQYXQICIZ-INIZCTEOSA-N 1 0 344.503 2.768 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C(C)(F)F)C2)cc1C ZINC000987754907 725839821 /nfs/dbraw/zinc/83/98/21/725839821.db2.gz LEIRBNJQXITGAJ-TZMCWYRMSA-N 1 0 326.387 2.738 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C3CCOCC3)C2)cc1C ZINC000987757129 725840443 /nfs/dbraw/zinc/84/04/43/725840443.db2.gz NUJFPUGSFJFZFW-MAUKXSAKSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3ccncc3)C2)cc1C ZINC000987804421 725858080 /nfs/dbraw/zinc/85/80/80/725858080.db2.gz VNSTUNMSOMXTEF-CRAIPNDOSA-N 1 0 339.439 2.791 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@]23CCC[C@H]2[N@H+](CCF)CC3)cc1 ZINC000992547843 725956302 /nfs/dbraw/zinc/95/63/02/725956302.db2.gz LYEYWTXNIVUYQL-PBHICJAKSA-N 1 0 347.394 2.545 20 10 EFCDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCCCSc2nccs2)C1 ZINC000152173377 725968004 /nfs/dbraw/zinc/96/80/04/725968004.db2.gz DIJUTNDZHSLXDU-CYBMUJFWSA-N 1 0 342.534 2.656 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]C[C@@]2(C)CCCO2)c1O ZINC000152915612 726289961 /nfs/dbraw/zinc/28/99/61/726289961.db2.gz JYLWGLGXPDPHPB-CQSZACIVSA-N 1 0 330.222 2.822 20 10 EFCDRO C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000897505303 726349250 /nfs/dbraw/zinc/34/92/50/726349250.db2.gz KOHUYWWIJHGPAL-JTQLQIEISA-N 1 0 346.258 2.983 20 10 EFCDRO CN(C)c1ccc([C@H](CNc2cc(Cl)n[nH]c2=O)[NH+](C)C)cc1 ZINC000897522911 726402776 /nfs/dbraw/zinc/40/27/76/726402776.db2.gz PTDMPYZALQCTNG-AWEZNQCLSA-N 1 0 335.839 2.616 20 10 EFCDRO CN(C)c1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC000897523251 726403207 /nfs/dbraw/zinc/40/32/07/726403207.db2.gz SHNUFFYJUVVHLP-INIZCTEOSA-N 1 0 347.394 2.910 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000731118027 726807119 /nfs/dbraw/zinc/80/71/19/726807119.db2.gz VQLLSJDVAFYIMT-SFHVURJKSA-N 1 0 342.487 2.570 20 10 EFCDRO C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)Cc1ccccc1O ZINC000731843124 726941455 /nfs/dbraw/zinc/94/14/55/726941455.db2.gz XPQRFXSPUDCOET-AWEZNQCLSA-N 1 0 330.403 2.711 20 10 EFCDRO CN(C(=O)/C=C\c1cncc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732006951 726975719 /nfs/dbraw/zinc/97/57/19/726975719.db2.gz VMWCLHVXMMCCRZ-WTKPLQERSA-N 1 0 343.402 2.837 20 10 EFCDRO COC1CC[NH+](C2(CNC(=O)C3=CC(=O)CS3)CCCC2)CC1 ZINC000732289968 727016696 /nfs/dbraw/zinc/01/66/96/727016696.db2.gz NEEVZNJMELDRCZ-UHFFFAOYSA-N 1 0 338.473 2.607 20 10 EFCDRO CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000732457173 727087217 /nfs/dbraw/zinc/08/72/17/727087217.db2.gz NIBVGACEXPPSLF-HNNXBMFYSA-N 1 0 336.455 2.564 20 10 EFCDRO CC[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@H]1COc2ccccc2O1 ZINC000915824788 727174345 /nfs/dbraw/zinc/17/43/45/727174345.db2.gz IULKQPSEIZEOTA-AWEZNQCLSA-N 1 0 343.379 2.783 20 10 EFCDRO CCC[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000732820574 727244688 /nfs/dbraw/zinc/24/46/88/727244688.db2.gz LKHOBYONGXDNEY-CQSZACIVSA-N 1 0 332.238 2.804 20 10 EFCDRO O=C(NCc1ccc2cccnc2c1O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000911263600 727521699 /nfs/dbraw/zinc/52/16/99/727521699.db2.gz ZUSHNGAEJSQWBT-JKSUJKDBSA-N 1 0 325.412 2.574 20 10 EFCDRO Cc1ccccc1[C@@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911666288 727576655 /nfs/dbraw/zinc/57/66/55/727576655.db2.gz IAPAARMACICVPF-BEFAXECRSA-N 1 0 325.456 2.981 20 10 EFCDRO CCc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc(Cl)n1 ZINC000911668495 727576909 /nfs/dbraw/zinc/57/69/09/727576909.db2.gz YCYACUKVENPKJY-MRXNPFEDSA-N 1 0 346.862 2.793 20 10 EFCDRO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC000912111695 727655769 /nfs/dbraw/zinc/65/57/69/727655769.db2.gz XGEIDNXXAXYBCY-AWEZNQCLSA-N 1 0 343.393 2.595 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C(=O)NCc2ccco2)cc1 ZINC000111399433 727664314 /nfs/dbraw/zinc/66/43/14/727664314.db2.gz QGLXDDIGCRYIAP-OAHLLOKOSA-N 1 0 329.444 2.920 20 10 EFCDRO CC[NH+](CC)CCSCC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000153926758 727672046 /nfs/dbraw/zinc/67/20/46/727672046.db2.gz PTTFGTPIRMSILF-ZDUSSCGKSA-N 1 0 340.489 2.653 20 10 EFCDRO CCC[NH+]1CCC(NC(=O)NCCCSc2nccs2)CC1 ZINC000153997715 727686405 /nfs/dbraw/zinc/68/64/05/727686405.db2.gz DBCYQBFNGCLLBU-UHFFFAOYSA-N 1 0 342.534 2.799 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000916574277 727697861 /nfs/dbraw/zinc/69/78/61/727697861.db2.gz YFSXPDGTRCDEFW-AEFFLSMTSA-N 1 0 330.476 2.521 20 10 EFCDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000912810622 727746956 /nfs/dbraw/zinc/74/69/56/727746956.db2.gz WWEFUQCAKSXNFH-IXFUNQINSA-N 1 0 332.444 2.690 20 10 EFCDRO CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC000994497167 727771885 /nfs/dbraw/zinc/77/18/85/727771885.db2.gz QJMIOJYZSVGYEL-DOMZBBRYSA-N 1 0 331.420 2.842 20 10 EFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C[C@H]3CC=CCC3)cc2)C1 ZINC000917394278 727800301 /nfs/dbraw/zinc/80/03/01/727800301.db2.gz GUHFIBDDSAYQQF-WMZOPIPTSA-N 1 0 327.472 2.834 20 10 EFCDRO CCCC(=O)NC1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000917452595 727809616 /nfs/dbraw/zinc/80/96/16/727809616.db2.gz UXHWGPBZLGGTOM-UHFFFAOYSA-N 1 0 327.428 2.821 20 10 EFCDRO C[C@@H]1C[C@@H](NC(=O)NCCCSc2nccs2)C[N@@H+]1C1CC1 ZINC000154409654 727811658 /nfs/dbraw/zinc/81/16/58/727811658.db2.gz AJCSELMRQVEGLZ-VXGBXAGGSA-N 1 0 340.518 2.550 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1O ZINC000164263826 727923660 /nfs/dbraw/zinc/92/36/60/727923660.db2.gz YKZXDSNRSWXSMY-OAHLLOKOSA-N 1 0 334.460 2.693 20 10 EFCDRO CCOC(=O)N(C)C1CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000164271562 727923771 /nfs/dbraw/zinc/92/37/71/727923771.db2.gz MLRJFDPUAAJFPH-UHFFFAOYSA-N 1 0 336.432 2.762 20 10 EFCDRO Cc1nsc(N2CCC[N@H+](Cc3cc(C)cc(C)c3O)CC2)n1 ZINC000164421689 727946893 /nfs/dbraw/zinc/94/68/93/727946893.db2.gz ZDUJLHWDPFCCIJ-UHFFFAOYSA-N 1 0 332.473 2.881 20 10 EFCDRO O=C(CN(Cc1ccco1)Cc1ccccc1O)N1CCCCC1 ZINC000070975140 727970745 /nfs/dbraw/zinc/97/07/45/727970745.db2.gz BFTODDFPDHGIMX-UHFFFAOYSA-N 1 0 328.412 3.000 20 10 EFCDRO [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000841099544 727973451 /nfs/dbraw/zinc/97/34/51/727973451.db2.gz LLTQIJHQWHTFHN-RHSMWYFYSA-N 1 0 342.842 2.903 20 10 EFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000183160871 727980372 /nfs/dbraw/zinc/98/03/72/727980372.db2.gz IJYPYJZIGQGTAM-BXKMTCNYSA-N 1 0 349.427 2.943 20 10 EFCDRO CCN(CC)C(=O)C[N@H+](CC)Cc1cc(Br)ccc1O ZINC000076118439 727998571 /nfs/dbraw/zinc/99/85/71/727998571.db2.gz KVCXIXARXXMGKN-UHFFFAOYSA-N 1 0 343.265 2.845 20 10 EFCDRO C[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[N@H+](Cc2ccccc2)C1 ZINC000323808586 728039202 /nfs/dbraw/zinc/03/92/02/728039202.db2.gz NGDBNANQSKSGNZ-HNNXBMFYSA-N 1 0 340.423 2.692 20 10 EFCDRO COc1cccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)n1 ZINC000190789994 728058620 /nfs/dbraw/zinc/05/86/20/728058620.db2.gz WTBQZLSLKWQUSP-UHFFFAOYSA-N 1 0 329.469 2.933 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2F)c1 ZINC000182316029 728078219 /nfs/dbraw/zinc/07/82/19/728078219.db2.gz VJCFTILGWIDFGY-CHWSQXEVSA-N 1 0 335.375 2.630 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COc2ccccc2F)c1 ZINC000182315966 728078305 /nfs/dbraw/zinc/07/83/05/728078305.db2.gz VJCFTILGWIDFGY-STQMWFEESA-N 1 0 335.375 2.630 20 10 EFCDRO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(OC)ccc1O ZINC000183517335 728143185 /nfs/dbraw/zinc/14/31/85/728143185.db2.gz OXXRADAOKVVVPU-UHFFFAOYSA-N 1 0 346.402 2.678 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCc3ccccc3C2)c1 ZINC000182405658 728145605 /nfs/dbraw/zinc/14/56/05/728145605.db2.gz UUOMYXNKCRQCSQ-CQSZACIVSA-N 1 0 340.423 2.636 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccccc2)c1 ZINC000182431812 728149473 /nfs/dbraw/zinc/14/94/73/728149473.db2.gz GSAGCAANTUSOMM-ZIAGYGMSSA-N 1 0 328.412 2.929 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(=O)n3cccc(C)c3n2)c1 ZINC000182468943 728179405 /nfs/dbraw/zinc/17/94/05/728179405.db2.gz RCDXSZPGBNZRPI-ZDUSSCGKSA-N 1 0 339.395 2.568 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccccc1O ZINC000183612355 728200162 /nfs/dbraw/zinc/20/01/62/728200162.db2.gz LKDUTTSXBARAJD-HZPDHXFCSA-N 1 0 340.423 2.723 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H](C)CCn3cccn3)CC2)cc1 ZINC000157713288 728202553 /nfs/dbraw/zinc/20/25/53/728202553.db2.gz UYDLGNMXOWASMH-MRXNPFEDSA-N 1 0 328.460 2.929 20 10 EFCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c1 ZINC000170728630 728471830 /nfs/dbraw/zinc/47/18/30/728471830.db2.gz XEUZTKAXZQWOKG-CYBMUJFWSA-N 1 0 334.460 2.873 20 10 EFCDRO CC[C@@H]([NH2+]CCN(C)CCOC)c1cc(Br)ccc1O ZINC000061375540 728515246 /nfs/dbraw/zinc/51/52/46/728515246.db2.gz WECIDWVQGGWOIL-CQSZACIVSA-N 1 0 345.281 2.774 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000171729103 728549964 /nfs/dbraw/zinc/54/99/64/728549964.db2.gz ILLNJZOXHSIOKH-CYBMUJFWSA-N 1 0 335.448 2.634 20 10 EFCDRO CC(C)[NH2+]C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000171901752 728558581 /nfs/dbraw/zinc/55/85/81/728558581.db2.gz YYKNWTTUQSGUJZ-UHFFFAOYSA-N 1 0 344.503 2.959 20 10 EFCDRO COc1ccc(O)c(CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000172064109 728564253 /nfs/dbraw/zinc/56/42/53/728564253.db2.gz CLPSEJPJTVSYLD-AWEZNQCLSA-N 1 0 349.456 2.564 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)c3cnco3)C2)cc1C ZINC000995030838 729246980 /nfs/dbraw/zinc/24/69/80/729246980.db2.gz DDYYQCAFSZILEC-HOTGVXAUSA-N 1 0 343.427 2.680 20 10 EFCDRO CC(C)[C@@H](C(=O)NCc1ccc(N(C)C)cc1)N1C[C@@H](C)O[C@H](C)C1 ZINC000921202827 729270530 /nfs/dbraw/zinc/27/05/30/729270530.db2.gz GXVLFSJLZJQKNB-MDZRGWNJSA-N 1 0 347.503 2.503 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)c3cocn3)C2)cc1C ZINC000994835252 729577629 /nfs/dbraw/zinc/57/76/29/729577629.db2.gz QLCLNALZJGSEHC-HOTGVXAUSA-N 1 0 343.427 2.680 20 10 EFCDRO Cc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c(C)n1-c1ccccn1 ZINC000237639397 729593631 /nfs/dbraw/zinc/59/36/31/729593631.db2.gz BSFATTQBTZSIJN-GUYCJALGSA-N 1 0 326.444 2.689 20 10 EFCDRO COc1ccc(O)c(CN2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000179632521 729599213 /nfs/dbraw/zinc/59/92/13/729599213.db2.gz FTMUCZAJOQQKPC-UHFFFAOYSA-N 1 0 326.440 2.761 20 10 EFCDRO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000180954750 729773233 /nfs/dbraw/zinc/77/32/33/729773233.db2.gz XJFHIAPRLVULDT-WJXUGBSRSA-N 1 0 344.386 2.669 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[NH+]3CCC(CCC(=O)[O-])CC3)cc2)CC1 ZINC000854241488 979606860 /nfs/dbraw/zinc/60/68/60/979606860.db2.gz NJKWQVCWEQZOPS-UHFFFAOYSA-N 1 0 345.487 2.515 20 10 EFCDRO C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cc(C(=O)[O-])ccc1O ZINC001593304924 994757203 /nfs/dbraw/zinc/75/72/03/994757203.db2.gz SFKINOJGRBPMKO-GFCCVEGCSA-N 1 0 326.396 2.587 20 10 EFCDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000188981968 1126077404 /nfs/dbraw/zinc/07/74/04/1126077404.db2.gz KHNVZIJBKUOXKO-FQEVSTJZSA-N 1 0 340.467 2.525 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)cc1OC ZINC000835072717 1126111477 /nfs/dbraw/zinc/11/14/77/1126111477.db2.gz HCNVSIKHGBCHNL-KRWDZBQOSA-N 1 0 345.439 2.719 20 10 EFCDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cccc(C)c2O)cc1OC ZINC000877830312 1126122845 /nfs/dbraw/zinc/12/28/45/1126122845.db2.gz GADSHCUCCKYEOD-HXUWFJFHSA-N 1 0 345.439 2.801 20 10 EFCDRO C[C@H](NC(=O)NCC[C@H]1CCC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC001576207615 1089000758 /nfs/dbraw/zinc/00/07/58/1089000758.db2.gz PMPKJCBSZPXSEZ-HOTGVXAUSA-N 1 0 332.492 2.893 20 10 EFCDRO C[C@@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)c2cc(Br)ccc2O1 ZINC001576763677 1089446699 /nfs/dbraw/zinc/44/66/99/1089446699.db2.gz XOJHFUHAGPDQSW-BXKDBHETSA-N 1 0 337.217 2.611 20 10 EFCDRO CCC([NH3+])(CC)CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001577106913 1089661519 /nfs/dbraw/zinc/66/15/19/1089661519.db2.gz CXZVSNUTTJKJCM-UHFFFAOYSA-N 1 0 332.492 2.946 20 10 EFCDRO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC001578425806 1090369263 /nfs/dbraw/zinc/36/92/63/1090369263.db2.gz OKKHESPOPSHEDF-AWEZNQCLSA-N 1 0 343.393 2.643 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2nccc3ccsc32)cc1 ZINC001578424858 1090369491 /nfs/dbraw/zinc/36/94/91/1090369491.db2.gz ZLWDTLWSCQATEN-HNNXBMFYSA-N 1 0 340.452 2.792 20 10 EFCDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCC1(C[NH3+])CC1 ZINC001578489950 1090385751 /nfs/dbraw/zinc/38/57/51/1090385751.db2.gz XZILXZYVDYQZQX-UHFFFAOYSA-N 1 0 330.476 2.557 20 10 EFCDRO CN(Cc1ccccc1O)c1nnc(CC(C)(C)C)n1CCCC[NH3+] ZINC001578496539 1090387601 /nfs/dbraw/zinc/38/76/01/1090387601.db2.gz IVSCFVXCTBWUIU-UHFFFAOYSA-N 1 0 345.491 2.948 20 10 EFCDRO C[NH2+][C@@H]1CCN(C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC001578605136 1090408652 /nfs/dbraw/zinc/40/86/52/1090408652.db2.gz ZBDNSNAYZRACFL-GOSISDBHSA-N 1 0 340.471 2.906 20 10 EFCDRO C[NH2+]CCCN(C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001578683956 1090420420 /nfs/dbraw/zinc/42/04/20/1090420420.db2.gz FEAYYJHVTHJJAK-UHFFFAOYSA-N 1 0 328.460 2.845 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](N)CC(F)(F)F)CC2)cc1 ZINC001579225228 1090551410 /nfs/dbraw/zinc/55/14/10/1090551410.db2.gz GJZWSGQLZWDABV-LBPRGKRZSA-N 1 0 331.382 2.533 20 10 EFCDRO COc1ccc2c(c1)N(C(=O)c1cccc3c1CC[NH2+]C3)C[C@@H](C)O2 ZINC001579244850 1090559900 /nfs/dbraw/zinc/55/99/00/1090559900.db2.gz MTXPXZMHXBSUSD-CYBMUJFWSA-N 1 0 338.407 2.769 20 10 EFCDRO Cc1cc(CCNC(=O)[C@@H]2CC[NH2+][C@@H]2C)c(C)n1-c1ccccc1 ZINC001579592999 1090638443 /nfs/dbraw/zinc/63/84/43/1090638443.db2.gz PYDFGEAIAOZOAP-DNVCBOLYSA-N 1 0 325.456 2.751 20 10 EFCDRO Cc1cc(CC(=O)N[C@@](C)(C[NH3+])C2CC2)c(C)n1-c1ccccc1 ZINC001579590249 1090638733 /nfs/dbraw/zinc/63/87/33/1090638733.db2.gz WRZCYOWWQHCHHE-FQEVSTJZSA-N 1 0 325.456 2.880 20 10 EFCDRO Cc1cc(CNC(=O)N2CC[NH2+]CC2)c(C)n1-c1cccc(C)c1 ZINC001579748342 1090678169 /nfs/dbraw/zinc/67/81/69/1090678169.db2.gz ZDXXQEGHQHQCLR-UHFFFAOYSA-N 1 0 326.444 2.517 20 10 EFCDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C2)C1 ZINC001580201193 1090807753 /nfs/dbraw/zinc/80/77/53/1090807753.db2.gz XIMBYKUUDMBNEJ-PPHDSNJXSA-N 1 0 342.842 2.903 20 10 EFCDRO Nc1ccc(C[NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)cc1 ZINC001580445622 1090902138 /nfs/dbraw/zinc/90/21/38/1090902138.db2.gz MTMPDSNYYVMTGU-GOSISDBHSA-N 1 0 325.412 2.770 20 10 EFCDRO O=C([C@H]1C[C@]12CCC[NH2+]C2)N(Cc1ccco1)Cc1ccccc1O ZINC001580479568 1090913694 /nfs/dbraw/zinc/91/36/94/1090913694.db2.gz VAANAYGUNAHMKH-XLIONFOSSA-N 1 0 340.423 2.904 20 10 EFCDRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N(Cc1ccco1)Cc1ccccc1O ZINC001580479567 1090913712 /nfs/dbraw/zinc/91/37/12/1090913712.db2.gz VAANAYGUNAHMKH-PXNSSMCTSA-N 1 0 340.423 2.904 20 10 EFCDRO O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001580813398 1091017716 /nfs/dbraw/zinc/01/77/16/1091017716.db2.gz VTXWBPRHSPCGMY-UHFFFAOYSA-N 1 0 346.452 2.918 20 10 EFCDRO Oc1cccc(Br)c1C[NH2+]C[C@H]1Cc2ccccc2CN1 ZINC001580888390 1091035939 /nfs/dbraw/zinc/03/59/39/1091035939.db2.gz KCNWBDHSUPHKDX-CQSZACIVSA-N 1 0 347.256 2.959 20 10 EFCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H]1Cc2ccccc2CN1 ZINC001580888388 1091036177 /nfs/dbraw/zinc/03/61/77/1091036177.db2.gz KCNWBDHSUPHKDX-AWEZNQCLSA-N 1 0 347.256 2.959 20 10 EFCDRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1F)c1ccc(N(C)C)cc1 ZINC001589970736 1093203069 /nfs/dbraw/zinc/20/30/69/1093203069.db2.gz WHMGSQLZPUVYMK-LBPRGKRZSA-N 1 0 340.406 2.923 20 10 EFCDRO CC[C@H]([NH2+][C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1ccccc1O ZINC001590464983 1093433710 /nfs/dbraw/zinc/43/37/10/1093433710.db2.gz RXTIBIUPCQFOGM-RDJZCZTQSA-N 1 0 335.411 2.780 20 10 EFCDRO CCc1cccc(C[N@H+](C)CCc2cccc(-c3nn[nH]n3)c2)c1O ZINC001590897243 1093624419 /nfs/dbraw/zinc/62/44/19/1093624419.db2.gz XSVBPLIBMOEEKQ-UHFFFAOYSA-N 1 0 337.427 2.809 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)CCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC001591119860 1093663623 /nfs/dbraw/zinc/66/36/23/1093663623.db2.gz CTUOZMMYHVPLHY-UHFFFAOYSA-N 1 0 336.443 2.607 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1O ZINC001591633944 1093807971 /nfs/dbraw/zinc/80/79/71/1093807971.db2.gz URFGXAHNCVUDJG-NWDGAFQWSA-N 1 0 339.399 2.993 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)c(O)c1 ZINC001592135566 1093992852 /nfs/dbraw/zinc/99/28/52/1093992852.db2.gz LLPANWYEAGOKJI-WBMJQRKESA-N 1 0 335.411 2.699 20 10 EFCDRO Cc1ccc(C[NH2+]C(C)(C)Cc2ccc(-c3nn[nH]n3)cc2)c(O)c1 ZINC001592165571 1094011098 /nfs/dbraw/zinc/01/10/98/1094011098.db2.gz NTZZHOGHYXDEHO-UHFFFAOYSA-N 1 0 337.427 2.992 20 10 EFCDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1c(O)ccc2ccncc21 ZINC000782900595 1094328065 /nfs/dbraw/zinc/32/80/65/1094328065.db2.gz ZSGJERIHTGUCJY-HNNXBMFYSA-N 1 0 341.455 2.626 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cn1 ZINC000780511541 1094363313 /nfs/dbraw/zinc/36/33/13/1094363313.db2.gz PUVYFTVQFCDEML-UHFFFAOYSA-N 1 0 341.455 2.589 20 10 EFCDRO COc1cc(O)c(CN2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000159460839 1095684118 /nfs/dbraw/zinc/68/41/18/1095684118.db2.gz IKLRAQFPQLWXPY-UHFFFAOYSA-N 1 0 342.439 2.727 20 10 EFCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC001604700237 1096934574 /nfs/dbraw/zinc/93/45/74/1096934574.db2.gz FEVIDSARSKQQPE-ONEGZZNKSA-N 1 0 340.456 2.797 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc(F)c2-c2nn[nH]n2)cc1 ZINC001604810608 1096962306 /nfs/dbraw/zinc/96/23/06/1096962306.db2.gz SRIJGKCYTKITKU-UHFFFAOYSA-N 1 0 340.406 2.704 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2C)c1 ZINC001605302658 1097088405 /nfs/dbraw/zinc/08/84/05/1097088405.db2.gz FETOHWIQEQNKGR-GFCCVEGCSA-N 1 0 339.399 2.740 20 10 EFCDRO Fc1ccc(-c2nn[nH]n2)cc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001606315393 1097376256 /nfs/dbraw/zinc/37/62/56/1097376256.db2.gz DOBAGTHGXFTDGW-UHFFFAOYSA-N 1 0 339.374 2.621 20 10 EFCDRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1F)c1ccc(C[NH3+])cc1 ZINC001609214394 1098207963 /nfs/dbraw/zinc/20/79/63/1098207963.db2.gz DCOYPGTVULKYDS-UHFFFAOYSA-N 1 0 340.406 2.881 20 10 EFCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(Cl)c2)c1 ZINC001609427189 1098313475 /nfs/dbraw/zinc/31/34/75/1098313475.db2.gz RTIMMRLBHFZOMQ-UHFFFAOYSA-N 1 0 329.791 2.824 20 10 EFCDRO [NH3+]CC1(F)CC[NH+](Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001222548629 1099117312 /nfs/dbraw/zinc/11/73/12/1099117312.db2.gz VJWCNUUCJHPMMF-UHFFFAOYSA-N 1 0 335.192 2.557 20 10 EFCDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1CC ZINC001087843975 1100861325 /nfs/dbraw/zinc/86/13/25/1100861325.db2.gz AIANYFPONQNMPU-LSDHHAIUSA-N 1 0 331.420 2.842 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000840310243 1100993952 /nfs/dbraw/zinc/99/39/52/1100993952.db2.gz QPHPQCDHORTENM-XYJFISCASA-N 1 0 346.519 2.774 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000840479033 1101089907 /nfs/dbraw/zinc/08/99/07/1101089907.db2.gz LGVPKHMENNJNJB-QFBILLFUSA-N 1 0 346.519 2.728 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000840479032 1101090734 /nfs/dbraw/zinc/09/07/34/1101090734.db2.gz LGVPKHMENNJNJB-LPHOPBHVSA-N 1 0 346.519 2.728 20 10 EFCDRO Oc1ccc2ccncc2c1C[NH+]1CCN(Cc2cscn2)CC1 ZINC000748069609 1101310070 /nfs/dbraw/zinc/31/00/70/1101310070.db2.gz OWJGVVHSYJIONQ-UHFFFAOYSA-N 1 0 340.452 2.715 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(-n4cccc4)nn3)cc2)CC1 ZINC001167423271 1101574664 /nfs/dbraw/zinc/57/46/64/1101574664.db2.gz UFTGUXWSQUFLEA-UHFFFAOYSA-N 1 0 348.454 2.631 20 10 EFCDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc2nc[nH]c21 ZINC001167426507 1101584437 /nfs/dbraw/zinc/58/44/37/1101584437.db2.gz HEYCQPLEFNVQNT-UHFFFAOYSA-N 1 0 336.443 2.630 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3nccnc3C(F)F)cc2)CC1 ZINC001167431251 1101616334 /nfs/dbraw/zinc/61/63/34/1101616334.db2.gz OFZYVHGHBWDDIA-UHFFFAOYSA-N 1 0 333.386 2.778 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3cc(F)c4nccn4c3)cc2)CC1 ZINC001167436910 1101710032 /nfs/dbraw/zinc/71/00/32/1101710032.db2.gz GPKOSIOGGNLTBC-UHFFFAOYSA-N 1 0 339.418 2.837 20 10 EFCDRO CC(C)Oc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC001167437167 1101718795 /nfs/dbraw/zinc/71/87/95/1101718795.db2.gz NVBDEKZSHRFHAS-UHFFFAOYSA-N 1 0 341.459 2.628 20 10 EFCDRO CC(C)Oc1ncc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC001167437200 1101718954 /nfs/dbraw/zinc/71/89/54/1101718954.db2.gz OXZCFWCZHPXMMW-UHFFFAOYSA-N 1 0 341.459 2.628 20 10 EFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCNC2=O)c1O ZINC000840826207 1101754955 /nfs/dbraw/zinc/75/49/55/1101754955.db2.gz STMVVXQKKFNMIT-GHMZBOCLSA-N 1 0 341.249 2.640 20 10 EFCDRO C[NH+](C)[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1cccc(F)c1 ZINC000588403339 1101900337 /nfs/dbraw/zinc/90/03/37/1101900337.db2.gz FCZAUJKDJWXANS-DZFYGRHCSA-N 1 0 344.386 2.669 20 10 EFCDRO CC(C)[NH2+]C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001075367193 1101981842 /nfs/dbraw/zinc/98/18/42/1101981842.db2.gz OFSGGHOKZBVBIG-DZGCQCFKSA-N 1 0 345.447 2.945 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCOCC3)C2)cc1C ZINC001022027400 1102175005 /nfs/dbraw/zinc/17/50/05/1102175005.db2.gz LLCQPWPXTOBYOI-KURKYZTESA-N 1 0 346.471 2.557 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCO[C@H](c2nccn2C)C1 ZINC000840952553 1102542779 /nfs/dbraw/zinc/54/27/79/1102542779.db2.gz DXEBQGCPKXUYEC-WMZOPIPTSA-N 1 0 328.460 2.804 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCCCN(C(=O)[C@@H](C)OC)C2)cc1C ZINC001088275303 1102583199 /nfs/dbraw/zinc/58/31/99/1102583199.db2.gz VPKGSPCHBXMBQF-AEFFLSMTSA-N 1 0 348.487 2.899 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc(Br)cn2)cc1 ZINC000841042876 1102879252 /nfs/dbraw/zinc/87/92/52/1102879252.db2.gz MLFNFQTXZFYYEL-INIZCTEOSA-N 1 0 349.276 2.700 20 10 EFCDRO CC1(C)Oc2ccc(N(Cc3ccccc3)C3(C[NH3+])COC3)cc2O1 ZINC001167374408 1102916828 /nfs/dbraw/zinc/91/68/28/1102916828.db2.gz CRZHMDOIGNPRHX-UHFFFAOYSA-N 1 0 340.423 2.928 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](Oc3cccc(F)c3)C1)[C@H](O)CO2 ZINC000784028547 1103393567 /nfs/dbraw/zinc/39/35/67/1103393567.db2.gz OMIGQQVWQXLGDZ-MAUKXSAKSA-N 1 0 345.370 2.610 20 10 EFCDRO Cc1ccc([C@H](O)C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000905704770 1103515532 /nfs/dbraw/zinc/51/55/32/1103515532.db2.gz OPYOPDMOEDDOCY-NHCUHLMSSA-N 1 0 341.499 2.987 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]C[C@H](O)c2ccccc2)N(C)C)cc1 ZINC000905706988 1103517089 /nfs/dbraw/zinc/51/70/89/1103517089.db2.gz XDXCKOGWSAPPAM-PMACEKPBSA-N 1 0 327.472 2.679 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](C4OCCO4)C3)c2c1 ZINC000905695680 1103542256 /nfs/dbraw/zinc/54/22/56/1103542256.db2.gz PCOYPHFLJTZGFZ-CQSZACIVSA-N 1 0 329.396 2.749 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c(O)c(C(C)(C)C)c1 ZINC000905696145 1103545403 /nfs/dbraw/zinc/54/54/03/1103545403.db2.gz VVOIJHZSIFGXLA-ZDUSSCGKSA-N 1 0 335.444 2.893 20 10 EFCDRO COc1cc(C[NH+]2CCC(Cc3noc(C)n3)CC2)c(O)cc1C ZINC000905732783 1103567786 /nfs/dbraw/zinc/56/77/86/1103567786.db2.gz BXHPYHPUAOCUHV-UHFFFAOYSA-N 1 0 331.416 2.855 20 10 EFCDRO CCCOCC(=O)N1CCC(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001204699492 1104177277 /nfs/dbraw/zinc/17/72/77/1104177277.db2.gz OLONYFZPKKAKFE-UHFFFAOYSA-N 1 0 348.487 2.758 20 10 EFCDRO CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001105857340 1104269028 /nfs/dbraw/zinc/26/90/28/1104269028.db2.gz KURMHJPJSDGBCD-SOLBZPMBSA-N 1 0 348.487 2.613 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3C[C@](C)(O)C[NH2+]3)n2)cc1 ZINC001211934825 1104641184 /nfs/dbraw/zinc/64/11/84/1104641184.db2.gz FHBYZMAEXCICAS-LPHOPBHVSA-N 1 0 338.411 2.930 20 10 EFCDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3ccc(N4CCCC4)cc3)C[C@@H]21 ZINC000841710329 1104665439 /nfs/dbraw/zinc/66/54/39/1104665439.db2.gz VYVWUBYTLCCTAW-YTQUADARSA-N 1 0 342.487 2.556 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1 ZINC000841719258 1104745212 /nfs/dbraw/zinc/74/52/12/1104745212.db2.gz HFFUQECFOKFXSE-YJBOKZPZSA-N 1 0 332.492 2.944 20 10 EFCDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000054511769 1105213128 /nfs/dbraw/zinc/21/31/28/1105213128.db2.gz XWXGFXLVVLQPDB-GOSISDBHSA-N 1 0 344.503 2.818 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@@H](Cc3nc(C)no3)C2)c(O)c1OC ZINC000897575531 1105767859 /nfs/dbraw/zinc/76/78/59/1105767859.db2.gz WNFMJPVEYWQSNR-ZDUSSCGKSA-N 1 0 347.415 2.556 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@H](Cc3nc(C)no3)C2)c(O)c1OC ZINC000897575530 1105767978 /nfs/dbraw/zinc/76/79/78/1105767978.db2.gz WNFMJPVEYWQSNR-CYBMUJFWSA-N 1 0 347.415 2.556 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000841939134 1106010842 /nfs/dbraw/zinc/01/08/42/1106010842.db2.gz DQUAZVVTEPOBQB-SFHVURJKSA-N 1 0 332.492 2.802 20 10 EFCDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841946989 1106024940 /nfs/dbraw/zinc/02/49/40/1106024940.db2.gz DGXVODYLOGCNHH-PBHICJAKSA-N 1 0 331.460 2.588 20 10 EFCDRO Nc1ccc(CCNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000841955614 1106042176 /nfs/dbraw/zinc/04/21/76/1106042176.db2.gz HZRPXUBWHOOFHS-SFHVURJKSA-N 1 0 326.444 2.591 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000841980367 1106079003 /nfs/dbraw/zinc/07/90/03/1106079003.db2.gz NYRVRYRZZYAICM-LBPRGKRZSA-N 1 0 341.411 2.564 20 10 EFCDRO COc1cccc(C[NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)c1O ZINC000897895597 1106135431 /nfs/dbraw/zinc/13/54/31/1106135431.db2.gz CNAXTDYOGYTNJL-UHFFFAOYSA-N 1 0 348.443 2.844 20 10 EFCDRO CCOc1cccc(C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)c1O ZINC000898142948 1106249437 /nfs/dbraw/zinc/24/94/37/1106249437.db2.gz UZXCSGVPVCUDPJ-QZTJIDSGSA-N 1 0 327.424 2.826 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3oncc3C)C2)cc1C ZINC000989635816 1106498915 /nfs/dbraw/zinc/49/89/15/1106498915.db2.gz QIUXEXUBFGEDLA-GDBMZVCRSA-N 1 0 343.427 2.693 20 10 EFCDRO CC(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000989838749 1106696517 /nfs/dbraw/zinc/69/65/17/1106696517.db2.gz OJTLQNCXGXFGSE-DOMZBBRYSA-N 1 0 331.420 2.698 20 10 EFCDRO C[C@@H](CC(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CCC[NH2+]C1 ZINC000237490417 1106886046 /nfs/dbraw/zinc/88/60/46/1106886046.db2.gz PYFUOPDIEFKVQP-MAUKXSAKSA-N 1 0 329.488 2.711 20 10 EFCDRO Oc1ccc2ccncc2c1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000784000729 1106889083 /nfs/dbraw/zinc/88/90/83/1106889083.db2.gz RCCCJXGBHWGWHS-HNNXBMFYSA-N 1 0 342.439 2.958 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H](C)SC)CC2)cc1C ZINC000989986204 1107147115 /nfs/dbraw/zinc/14/71/15/1107147115.db2.gz LHDBHTCCKCGPMK-CQSZACIVSA-N 1 0 336.501 2.836 20 10 EFCDRO CC[C@H](C)[C@H](C(=O)OC)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000929185055 1107374839 /nfs/dbraw/zinc/37/48/39/1107374839.db2.gz LOTMZWSLVHPDEO-MAUKXSAKSA-N 1 0 334.460 2.543 20 10 EFCDRO COC(=O)c1ccc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1C ZINC000904353990 1107838384 /nfs/dbraw/zinc/83/83/84/1107838384.db2.gz SWTGYMXPQLEGGJ-LJQANCHMSA-N 1 0 341.455 2.637 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(N)cc2)[NH+](C)C)cc1 ZINC000904499540 1107994361 /nfs/dbraw/zinc/99/43/61/1107994361.db2.gz GFFBQMKABKBIEW-GOSISDBHSA-N 1 0 341.459 2.759 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)C[C@@H]3CCOC3)CC2)cc1C ZINC000990475084 1108058619 /nfs/dbraw/zinc/05/86/19/1108058619.db2.gz ARXFLVAGXKMQHE-KRWDZBQOSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(N2CCN(C(=O)Nc3ccccc3C[NH3+])CC2)cc1 ZINC000904649888 1108085339 /nfs/dbraw/zinc/08/53/39/1108085339.db2.gz YCXCEHCILUFQHW-UHFFFAOYSA-N 1 0 340.427 2.508 20 10 EFCDRO O=C1N(CC2CCCC2)CC[C@]12CC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001272386840 1108150462 /nfs/dbraw/zinc/15/04/62/1108150462.db2.gz NYGZKPLQCUQVRS-FQEVSTJZSA-N 1 0 344.455 2.712 20 10 EFCDRO CC(C)C[N@@H+]1CCC[C@@]12CCN(Cc1ccc(N(C)C)cc1)C2=O ZINC001272414453 1108227052 /nfs/dbraw/zinc/22/70/52/1108227052.db2.gz HPNBQWGKTFUANU-FQEVSTJZSA-N 1 0 329.488 2.976 20 10 EFCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@@](C)(O)C(F)F)cc2F)C[C@@H](C)O1 ZINC000905054939 1108362953 /nfs/dbraw/zinc/36/29/53/1108362953.db2.gz LSDLWQYOWSTCPF-PSTGCABASA-N 1 0 346.393 2.545 20 10 EFCDRO CCC[NH+]1CCC2(C[C@@H]2C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC001272463205 1108402976 /nfs/dbraw/zinc/40/29/76/1108402976.db2.gz WYZHHFSTPNPJPL-GOSISDBHSA-N 1 0 329.488 2.881 20 10 EFCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CC23CC[NH+](CC2CC2)CC3)cc1 ZINC001272489185 1108500386 /nfs/dbraw/zinc/50/03/86/1108500386.db2.gz ACFYRWQBPRHLLW-IBGZPJMESA-N 1 0 341.499 2.881 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H]3Cc4ccccc4[C@H]3O)CC2)cc1 ZINC000898391416 1108906316 /nfs/dbraw/zinc/90/63/16/1108906316.db2.gz DVLPMAQTNIXOPJ-NHCUHLMSSA-N 1 0 338.451 2.912 20 10 EFCDRO COc1ccc(O)c(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000898449355 1108942906 /nfs/dbraw/zinc/94/29/06/1108942906.db2.gz CEIORQWBRDPICG-LJQANCHMSA-N 1 0 343.471 2.859 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cnccc2N(C)C)N(C)C)cc1 ZINC000898450148 1108943844 /nfs/dbraw/zinc/94/38/44/1108943844.db2.gz ONVULVIQGAFTOO-HXUWFJFHSA-N 1 0 341.503 2.606 20 10 EFCDRO CC(C)n1cc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000898451932 1108944129 /nfs/dbraw/zinc/94/41/29/1108944129.db2.gz RWZBRKILPIRTHW-IBGZPJMESA-N 1 0 329.492 2.923 20 10 EFCDRO C[C@@H](CCn1cccn1)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898451359 1108945436 /nfs/dbraw/zinc/94/54/36/1108945436.db2.gz YDOBKMKJRROXAJ-LPHOPBHVSA-N 1 0 329.492 2.620 20 10 EFCDRO Cc1cc(F)ncc1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898447357 1108949253 /nfs/dbraw/zinc/94/92/53/1108949253.db2.gz IHBFNQHDQNJBPV-SFHVURJKSA-N 1 0 330.451 2.988 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cnc(N(C)C)n1C ZINC000842222898 1109196581 /nfs/dbraw/zinc/19/65/81/1109196581.db2.gz VTTOHFDREYOKEK-HNNXBMFYSA-N 1 0 329.492 2.581 20 10 EFCDRO CCN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CCC1 ZINC000899103304 1109202955 /nfs/dbraw/zinc/20/29/55/1109202955.db2.gz YPXFACYYGRBCRW-SFHVURJKSA-N 1 0 332.492 2.939 20 10 EFCDRO C[C@@H]1C[C@H](C)N(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899102767 1109203343 /nfs/dbraw/zinc/20/33/43/1109203343.db2.gz RMPKNBBORFVLPK-RVKKMQEKSA-N 1 0 332.492 2.795 20 10 EFCDRO CCN(CC1CC1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100649 1109208425 /nfs/dbraw/zinc/20/84/25/1109208425.db2.gz BLFUKYOWPIYIJK-GOSISDBHSA-N 1 0 332.492 2.797 20 10 EFCDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000192843282 1109341282 /nfs/dbraw/zinc/34/12/82/1109341282.db2.gz FHPZVFUBCNDPSC-AWEZNQCLSA-N 1 0 340.489 2.555 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NCC[NH2+]C3CC3)c2C)cc1 ZINC000237506493 1109786399 /nfs/dbraw/zinc/78/63/99/1109786399.db2.gz MZYIHJHBNDFGHL-UHFFFAOYSA-N 1 0 327.428 2.585 20 10 EFCDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000176577030 1111342254 /nfs/dbraw/zinc/34/22/54/1111342254.db2.gz AMDJHZWSWGHCHH-HOTGVXAUSA-N 1 0 345.487 2.943 20 10 EFCDRO CC(C)=CCN1C(=O)C[C@]2(CCC[N@H+](Cc3ccccc3O)C2)C1=O ZINC001272618170 1111752329 /nfs/dbraw/zinc/75/23/29/1111752329.db2.gz CFONHJNNIIPBBR-FQEVSTJZSA-N 1 0 342.439 2.700 20 10 EFCDRO O=C1N(CCC(F)(F)F)CC[C@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001272618212 1111752363 /nfs/dbraw/zinc/75/23/63/1111752363.db2.gz CPQQPIXRVMGCET-INIZCTEOSA-N 1 0 342.361 2.769 20 10 EFCDRO CCOCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C)ccc1O ZINC001272622337 1111758791 /nfs/dbraw/zinc/75/87/91/1111758791.db2.gz DZTSOWOVDPULLR-HXUWFJFHSA-N 1 0 346.471 2.694 20 10 EFCDRO CC[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3cccc(OC)c3O)C2)C1=O ZINC001272622462 1111759372 /nfs/dbraw/zinc/75/93/72/1111759372.db2.gz KMIKCJCKQWXMOB-KUHUBIRLSA-N 1 0 332.444 2.624 20 10 EFCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@]23CC(=O)N(CC(F)F)C3)c1 ZINC001272622741 1111760365 /nfs/dbraw/zinc/76/03/65/1111760365.db2.gz QKFOMLDTFHFMHG-SFHVURJKSA-N 1 0 338.398 2.923 20 10 EFCDRO COC(C)(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C)ccc2O)C1=O ZINC001272623302 1111760684 /nfs/dbraw/zinc/76/06/84/1111760684.db2.gz ZHZBLRLAIYGNSM-FQEVSTJZSA-N 1 0 346.471 2.693 20 10 EFCDRO CC[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccc(OC)cc3O)C2)C1=O ZINC001272625285 1111764452 /nfs/dbraw/zinc/76/44/52/1111764452.db2.gz JWBROZOTCAYNKF-AUUYWEPGSA-N 1 0 332.444 2.624 20 10 EFCDRO CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(OC)cc1O)CC2 ZINC001272625247 1111765620 /nfs/dbraw/zinc/76/56/20/1111765620.db2.gz JDPAWOSXGBLGDJ-QGZVFWFLSA-N 1 0 346.471 2.919 20 10 EFCDRO CC[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(OC)ccc3O)C2)C1=O ZINC001272637001 1111786578 /nfs/dbraw/zinc/78/65/78/1111786578.db2.gz JBXQNJFYMQDOHZ-AUUYWEPGSA-N 1 0 332.444 2.624 20 10 EFCDRO CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(OC)ccc2O)C1=O ZINC001272637375 1111787071 /nfs/dbraw/zinc/78/70/71/1111787071.db2.gz LOQUYRYKPPHMKM-IBGZPJMESA-N 1 0 332.444 2.768 20 10 EFCDRO CC[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2cc(OC)ccc2O)C1=O ZINC001272637752 1111788454 /nfs/dbraw/zinc/78/84/54/1111788454.db2.gz NANKNLCTCGFHEC-KUHUBIRLSA-N 1 0 332.444 2.766 20 10 EFCDRO O=C1N(CC(F)F)CC[C@@]12CC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001272638386 1111796499 /nfs/dbraw/zinc/79/64/99/1111796499.db2.gz SAJYYDHXDLLEJC-MRXNPFEDSA-N 1 0 344.789 2.735 20 10 EFCDRO CC[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(O)c(C)c2O)C1=O ZINC001272658099 1111934874 /nfs/dbraw/zinc/93/48/74/1111934874.db2.gz VMLMNZAZSRAHPO-BFUOFWGJSA-N 1 0 332.444 2.772 20 10 EFCDRO Cc1c(O)ccc(C[N@H+]2CCC[C@]23CCN(CC(C)C)C3=O)c1O ZINC001272659793 1111943696 /nfs/dbraw/zinc/94/36/96/1111943696.db2.gz FTOJAFIUGYUXLL-LJQANCHMSA-N 1 0 332.444 2.629 20 10 EFCDRO CC(C)(C)NC(=O)CC[NH2+]Cc1ccc(Br)cc1O ZINC000691502568 1111955267 /nfs/dbraw/zinc/95/52/67/1111955267.db2.gz VJEFJMDVRYYADN-UHFFFAOYSA-N 1 0 329.238 2.549 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000918210766 1112105467 /nfs/dbraw/zinc/10/54/67/1112105467.db2.gz UFXUBXICBFADBD-MJGOQNOKSA-N 1 0 344.503 2.959 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000918210767 1112105675 /nfs/dbraw/zinc/10/56/75/1112105675.db2.gz UFXUBXICBFADBD-PKOBYXMFSA-N 1 0 344.503 2.959 20 10 EFCDRO CCN(CC)C(=O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000920762032 1112348084 /nfs/dbraw/zinc/34/80/84/1112348084.db2.gz XRURDEQBPYWVHR-UHFFFAOYSA-N 1 0 348.447 2.543 20 10 EFCDRO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001272700110 1118437169 /nfs/dbraw/zinc/43/71/69/1118437169.db2.gz RUTTUCOQYCFUTC-BLIXFSHQSA-N 1 0 341.499 2.833 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCc2sccc2C)c1 ZINC000182450695 1118608708 /nfs/dbraw/zinc/60/87/08/1118608708.db2.gz NVPLFKGBOGPEIQ-LBPRGKRZSA-N 1 0 334.441 2.738 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC3CC3)C2)cc1 ZINC000995238816 1118828147 /nfs/dbraw/zinc/82/81/47/1118828147.db2.gz YAJSNPNZBLDJER-CZUORRHYSA-N 1 0 343.431 2.747 20 10 EFCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C[NH2+]CCCF ZINC001107057280 1120174525 /nfs/dbraw/zinc/17/45/25/1120174525.db2.gz VFFYTXCXUGWOJV-TZMCWYRMSA-N 1 0 349.410 2.506 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccon3)CC2(C)C)cc1C ZINC000995510488 1120211941 /nfs/dbraw/zinc/21/19/41/1120211941.db2.gz UUEIBASINNABHE-QGZVFWFLSA-N 1 0 343.427 2.632 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3cocn3)CC2(C)C)cc1C ZINC000995544880 1120258627 /nfs/dbraw/zinc/25/86/27/1120258627.db2.gz DYELDYFLXRPCHU-KRWDZBQOSA-N 1 0 343.427 2.632 20 10 EFCDRO CC1CC(C[NH+]2CC(CNC(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001032215950 1120299394 /nfs/dbraw/zinc/29/93/94/1120299394.db2.gz RODZNJBZFWMVOU-UHFFFAOYSA-N 1 0 343.431 2.557 20 10 EFCDRO CC(C)CC[NH+]1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001032215988 1120299450 /nfs/dbraw/zinc/29/94/50/1120299450.db2.gz SWQRBXNLQQNBKO-UHFFFAOYSA-N 1 0 331.420 2.557 20 10 EFCDRO Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)o1 ZINC000038635163 1120556020 /nfs/dbraw/zinc/55/60/20/1120556020.db2.gz KMNNRGFPFLERJI-GOSISDBHSA-N 1 0 329.444 2.995 20 10 EFCDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185791211 1120623008 /nfs/dbraw/zinc/62/30/08/1120623008.db2.gz BAGYTFPZWXXPAV-CHWSQXEVSA-N 1 0 325.474 2.745 20 10 EFCDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC000945219991 1120678388 /nfs/dbraw/zinc/67/83/88/1120678388.db2.gz FGZAINWRXXQWST-DOMZBBRYSA-N 1 0 331.420 2.699 20 10 EFCDRO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC000945220655 1120679656 /nfs/dbraw/zinc/67/96/56/1120679656.db2.gz HEIMESJQLDPBKR-DOMZBBRYSA-N 1 0 331.420 2.698 20 10 EFCDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000172135987 529965661 /nfs/dbraw/zinc/96/56/61/529965661.db2.gz PHRAMLVWUZCKCX-SFHVURJKSA-N 1 0 344.503 2.770 20 10 EFCDRO COc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)c(O)c1OC ZINC000038542430 213213658 /nfs/dbraw/zinc/21/36/58/213213658.db2.gz SYYDYQMUKFERQR-UHFFFAOYSA-N 1 0 342.439 2.727 20 10 EFCDRO CC[C@H]([NH2+]C[C@H]1COCCO1)c1cc(Br)ccc1O ZINC000038060458 213199841 /nfs/dbraw/zinc/19/98/41/213199841.db2.gz ATCWMASNWQFXQG-AAEUAGOBSA-N 1 0 330.222 2.611 20 10 EFCDRO CC[C@H]([NH2+]CCC(=O)N(C)C)c1cc(Br)ccc1O ZINC000037751565 213166271 /nfs/dbraw/zinc/16/62/71/213166271.db2.gz LIQVEBNEDNEDQR-LBPRGKRZSA-N 1 0 329.238 2.674 20 10 EFCDRO c1cnc(N2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)cn1 ZINC000157882275 239001362 /nfs/dbraw/zinc/00/13/62/239001362.db2.gz JOCVPDMQBVARLT-UHFFFAOYSA-N 1 0 337.471 2.789 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)cc1OC ZINC000160465197 239051458 /nfs/dbraw/zinc/05/14/58/239051458.db2.gz RVKUPPYEHFPQFV-CQSZACIVSA-N 1 0 331.416 2.652 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCCc3c2cnn3C)cc1OC ZINC000160465324 239052322 /nfs/dbraw/zinc/05/23/22/239052322.db2.gz RVKUPPYEHFPQFV-AWEZNQCLSA-N 1 0 331.416 2.652 20 10 EFCDRO COC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163414886 239105263 /nfs/dbraw/zinc/10/52/63/239105263.db2.gz USEJPWGLSAYAKB-LBPRGKRZSA-N 1 0 332.366 2.667 20 10 EFCDRO C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C[N@@H+]1C1CC1 ZINC000177708215 239388080 /nfs/dbraw/zinc/38/80/80/239388080.db2.gz HOLOFGSEZADYQP-RDJZCZTQSA-N 1 0 342.487 2.711 20 10 EFCDRO Cc1cc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C)n1-c1ccccn1 ZINC000177183956 239363797 /nfs/dbraw/zinc/36/37/97/239363797.db2.gz MSJVUTJOPOCVGY-BBRMVZONSA-N 1 0 338.455 2.844 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1O ZINC000186042154 239629353 /nfs/dbraw/zinc/62/93/53/239629353.db2.gz XVWRRZJNJYXVHH-AWEZNQCLSA-N 1 0 346.452 2.783 20 10 EFCDRO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000187822837 239731768 /nfs/dbraw/zinc/73/17/68/239731768.db2.gz BCGHBQGKVYWMME-MRXNPFEDSA-N 1 0 340.471 2.845 20 10 EFCDRO Oc1ccccc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000192356965 240041273 /nfs/dbraw/zinc/04/12/73/240041273.db2.gz VSQAXNHEGAULST-LJQANCHMSA-N 1 0 326.440 2.773 20 10 EFCDRO C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192842738 240066814 /nfs/dbraw/zinc/06/68/14/240066814.db2.gz NMTLXAGDTDNWKK-NEPJUHHUSA-N 1 0 346.302 2.986 20 10 EFCDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cccc(O)c2O)c1 ZINC000193139057 240089347 /nfs/dbraw/zinc/08/93/47/240089347.db2.gz LLTHBOYGAUTTDJ-UHFFFAOYSA-N 1 0 328.412 2.610 20 10 EFCDRO Cc1cc(C(=O)NCC[NH3+])c(C)n1-c1cccc(Br)c1 ZINC000237589873 240246434 /nfs/dbraw/zinc/24/64/34/240246434.db2.gz WKEALEKCMGOTRY-UHFFFAOYSA-N 1 0 336.233 2.545 20 10 EFCDRO CSCC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000195138913 240204813 /nfs/dbraw/zinc/20/48/13/240204813.db2.gz FMWHULFTINUPCE-QGZVFWFLSA-N 1 0 335.517 2.716 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1F ZINC000246008608 240262798 /nfs/dbraw/zinc/26/27/98/240262798.db2.gz STWBJCOOGUNONK-RDJZCZTQSA-N 1 0 348.466 2.517 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H](C)C3)cc2F)CC1 ZINC000261478417 240315052 /nfs/dbraw/zinc/31/50/52/240315052.db2.gz ZDICFAHIGJMVFE-OAHLLOKOSA-N 1 0 348.466 2.519 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1F ZINC000264253965 240416250 /nfs/dbraw/zinc/41/62/50/240416250.db2.gz CDYLWAXWAVODSX-MRXNPFEDSA-N 1 0 348.466 2.662 20 10 EFCDRO Cc1cc(C(=O)N2CCO[C@H](C[NH3+])C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000274808718 240740342 /nfs/dbraw/zinc/74/03/42/240740342.db2.gz QLADPMSKIZYRQZ-GOSISDBHSA-N 1 0 341.455 2.511 20 10 EFCDRO CC1(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)COC1 ZINC000286418229 240989767 /nfs/dbraw/zinc/98/97/67/240989767.db2.gz IGLCJMVKYKOTEL-ZDUSSCGKSA-N 1 0 326.387 2.883 20 10 EFCDRO Cc1ccc(O)c(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)c1 ZINC000288454938 241011869 /nfs/dbraw/zinc/01/18/69/241011869.db2.gz NGYRIPBUVGXZCO-HNNXBMFYSA-N 1 0 328.412 2.801 20 10 EFCDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)c(OC[C@H]2CCOC2)cn1 ZINC000288468886 241013841 /nfs/dbraw/zinc/01/38/41/241013841.db2.gz ORKNQMQGPXZGPH-INIZCTEOSA-N 1 0 340.423 2.722 20 10 EFCDRO O=C(N1CCCC1)N1CCC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000297436604 283887980 /nfs/dbraw/zinc/88/79/80/283887980.db2.gz VSNIUHWJNBPADY-HZPDHXFCSA-N 1 0 329.444 2.649 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1OC ZINC000290913857 241022843 /nfs/dbraw/zinc/02/28/43/241022843.db2.gz NHKBCNCTLBJNOL-CRAIPNDOSA-N 1 0 333.428 2.943 20 10 EFCDRO C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccccc1O ZINC000295969546 241070546 /nfs/dbraw/zinc/07/05/46/241070546.db2.gz NUXPZFKHYNSVLL-KBPBESRZSA-N 1 0 336.432 2.679 20 10 EFCDRO O=C(c1ccoc1)N1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000296004247 241072845 /nfs/dbraw/zinc/07/28/45/241072845.db2.gz OOARYBSIUMELAV-INIZCTEOSA-N 1 0 326.396 2.867 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2F)CC1 ZINC000296284396 241081241 /nfs/dbraw/zinc/08/12/41/241081241.db2.gz FIEMDNPMBYLISU-MRXNPFEDSA-N 1 0 348.462 2.978 20 10 EFCDRO O=C1[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCCN1Cc1ccccn1 ZINC000296498363 241089096 /nfs/dbraw/zinc/08/90/96/241089096.db2.gz PZZDHEJGOXSALV-SJORKVTESA-N 1 0 337.423 2.555 20 10 EFCDRO O=C1COc2ccccc2N1CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296979695 241105754 /nfs/dbraw/zinc/10/57/54/241105754.db2.gz RWLDXPUVSNWJCN-HNNXBMFYSA-N 1 0 338.407 2.785 20 10 EFCDRO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000295874251 241065411 /nfs/dbraw/zinc/06/54/11/241065411.db2.gz GMUYNKMOGPIAHV-LSDHHAIUSA-N 1 0 348.443 2.605 20 10 EFCDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299388057 241174417 /nfs/dbraw/zinc/17/44/17/241174417.db2.gz RIAAITKAMWEJJQ-RTBURBONSA-N 1 0 347.503 2.552 20 10 EFCDRO C[C@H](CNC(=O)NCc1ccccc1O)N1CCc2sccc2C1 ZINC000299486427 241179578 /nfs/dbraw/zinc/17/95/78/241179578.db2.gz IJCMXTIZDCDHRH-CYBMUJFWSA-N 1 0 345.468 2.700 20 10 EFCDRO C[NH+](C)[C@H](CNC(=O)NCc1ccccc1O)c1ccc(F)cc1 ZINC000299555746 241181103 /nfs/dbraw/zinc/18/11/03/241181103.db2.gz YQMRHESGJIAYJD-MRXNPFEDSA-N 1 0 331.391 2.633 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNc3nc(C)cnc3C)cc2F)CC1 ZINC000302222240 241191344 /nfs/dbraw/zinc/19/13/44/241191344.db2.gz MSRQVSURUOHSHI-UHFFFAOYSA-N 1 0 343.450 2.987 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000350284609 241881891 /nfs/dbraw/zinc/88/18/91/241881891.db2.gz FCVHMVVYYWVYQU-AWEZNQCLSA-N 1 0 328.460 2.722 20 10 EFCDRO Oc1cc2c(cc1C[NH+]1CCC(Cc3cccnc3)CC1)OCO2 ZINC000360813827 242210422 /nfs/dbraw/zinc/21/04/22/242210422.db2.gz YHOITDDHZYBHIV-UHFFFAOYSA-N 1 0 326.396 2.971 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1O ZINC000362261490 242250010 /nfs/dbraw/zinc/25/00/10/242250010.db2.gz PEUHXQXAEMSJQC-CZUORRHYSA-N 1 0 326.396 2.683 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1ccccc1O ZINC000362261489 242250459 /nfs/dbraw/zinc/25/04/59/242250459.db2.gz PEUHXQXAEMSJQC-CJNGLKHVSA-N 1 0 326.396 2.683 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000366542430 242357021 /nfs/dbraw/zinc/35/70/21/242357021.db2.gz CRYPMRONHZJDDY-LJQANCHMSA-N 1 0 330.472 2.772 20 10 EFCDRO Cc1nccnc1N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000367004709 242372047 /nfs/dbraw/zinc/37/20/47/242372047.db2.gz NOAQJBSHNOJIGS-UHFFFAOYSA-N 1 0 334.423 2.966 20 10 EFCDRO C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273606691 296119199 /nfs/dbraw/zinc/11/91/99/296119199.db2.gz UHSUQTXRLXXEAF-SNVBAGLBSA-N 1 0 333.259 2.806 20 10 EFCDRO Cc1cc(C(=O)N2CCCC[C@@H]2CC[NH3+])c(C)n1-c1ccccn1 ZINC000286218848 291690039 /nfs/dbraw/zinc/69/00/39/291690039.db2.gz SZRNGFWOTMITLS-MRXNPFEDSA-N 1 0 326.444 2.833 20 10 EFCDRO C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000163546436 533373081 /nfs/dbraw/zinc/37/30/81/533373081.db2.gz BEYXKFXRMRUOJS-OAHLLOKOSA-N 1 0 334.460 2.906 20 10 EFCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000113320617 544569117 /nfs/dbraw/zinc/56/91/17/544569117.db2.gz OGSABYMZGCNRFL-MRXNPFEDSA-N 1 0 346.858 2.554 20 10 EFCDRO COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000113318490 544569188 /nfs/dbraw/zinc/56/91/88/544569188.db2.gz GQAYGSRWIIOZCS-INIZCTEOSA-N 1 0 337.803 2.886 20 10 EFCDRO COc1cc(C[NH2+]Cc2c(O)cccc2Cl)ccc1OCCO ZINC000113325381 544569707 /nfs/dbraw/zinc/56/97/07/544569707.db2.gz ZKADTYYEFOYYSP-UHFFFAOYSA-N 1 0 337.803 2.715 20 10 EFCDRO CS(=O)(=O)Cc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000113325051 544569741 /nfs/dbraw/zinc/56/97/41/544569741.db2.gz JLBRGDLFPUDZKX-UHFFFAOYSA-N 1 0 339.844 2.880 20 10 EFCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000113327603 544569964 /nfs/dbraw/zinc/56/99/64/544569964.db2.gz AQTVNKKKGSLLKB-GFCCVEGCSA-N 1 0 325.767 2.714 20 10 EFCDRO CC1(C)[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@H]2CCCO[C@@H]21 ZINC000174536659 275885373 /nfs/dbraw/zinc/88/53/73/275885373.db2.gz LVDHBVYPPHDOJX-MNEFBYGVSA-N 1 0 348.462 2.956 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)C(F)(F)F)c(C(F)(F)F)c1 ZINC000280040431 276883412 /nfs/dbraw/zinc/88/34/12/276883412.db2.gz VHSZLEOAYVPLTI-LLVKDONJSA-N 1 0 330.272 2.784 20 10 EFCDRO CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000296123308 278108591 /nfs/dbraw/zinc/10/85/91/278108591.db2.gz VMDVOZTZTGAIIG-INIZCTEOSA-N 1 0 331.437 2.714 20 10 EFCDRO CC(C)C(=O)NCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000184869026 473259092 /nfs/dbraw/zinc/25/90/92/473259092.db2.gz POZBXKLPPSWEAC-SNVBAGLBSA-N 1 0 329.238 2.578 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000184912632 473271641 /nfs/dbraw/zinc/27/16/41/473271641.db2.gz MMNMIDDRBBPZII-KKUMJFAQSA-N 1 0 336.476 2.939 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000184912622 473271906 /nfs/dbraw/zinc/27/19/06/473271906.db2.gz MMNMIDDRBBPZII-ZNMIVQPWSA-N 1 0 336.476 2.939 20 10 EFCDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177058453 473297617 /nfs/dbraw/zinc/29/76/17/473297617.db2.gz CZCNVRRVISLCRY-ZDUSSCGKSA-N 1 0 338.835 2.596 20 10 EFCDRO C[C@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1cc(F)ccc1O ZINC000185166121 473348933 /nfs/dbraw/zinc/34/89/33/473348933.db2.gz HLWQOTDJRIXERM-AWEZNQCLSA-N 1 0 344.434 2.529 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000185179515 473352743 /nfs/dbraw/zinc/35/27/43/473352743.db2.gz GCXRIZHGJHNDSY-SNVBAGLBSA-N 1 0 330.350 2.600 20 10 EFCDRO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cc(F)ccc1O ZINC000185263783 473379698 /nfs/dbraw/zinc/37/96/98/473379698.db2.gz ODHNQMVSENMXPM-GFCCVEGCSA-N 1 0 337.416 2.927 20 10 EFCDRO COc1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc(OC)c1O ZINC000113332539 473385270 /nfs/dbraw/zinc/38/52/70/473385270.db2.gz JDTQVLLRQKENIO-UHFFFAOYSA-N 1 0 334.391 2.904 20 10 EFCDRO CC(C)(C)OC(=O)NCC[NH2+]Cc1cc(Br)ccc1O ZINC000227600745 474246192 /nfs/dbraw/zinc/24/61/92/474246192.db2.gz QZYNYPYQUHALID-UHFFFAOYSA-N 1 0 345.237 2.769 20 10 EFCDRO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000054510146 472093932 /nfs/dbraw/zinc/09/39/32/472093932.db2.gz LMPJLLIKXAENGA-QGZVFWFLSA-N 1 0 332.492 2.626 20 10 EFCDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000085391987 472241246 /nfs/dbraw/zinc/24/12/46/472241246.db2.gz RMRJLVAJHPCCCU-LPHOPBHVSA-N 1 0 344.503 2.768 20 10 EFCDRO CN(C)c1ccc(CN2CCC[C@H]2C(=O)NCc2ccco2)cc1F ZINC000128176988 472413442 /nfs/dbraw/zinc/41/34/42/472413442.db2.gz QUBDORVYYLJWAH-SFHVURJKSA-N 1 0 345.418 2.766 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c1O ZINC000128186521 472415110 /nfs/dbraw/zinc/41/51/10/472415110.db2.gz SGJBJMYFTHRRKC-MRXNPFEDSA-N 1 0 344.411 2.665 20 10 EFCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000069784616 472433821 /nfs/dbraw/zinc/43/38/21/472433821.db2.gz UNXCGLOFWVJSGG-KRWDZBQOSA-N 1 0 344.503 2.600 20 10 EFCDRO CC(C)[N@@H+]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000069821455 472443108 /nfs/dbraw/zinc/44/31/08/472443108.db2.gz IIGQLZMYFJPOMG-UHFFFAOYSA-N 1 0 336.455 2.517 20 10 EFCDRO COc1ccc(N2CCC[N@H+](Cc3c(C)nn(C)c3C)CC2)cc1 ZINC000154935548 472488940 /nfs/dbraw/zinc/48/89/40/472488940.db2.gz JBYRKZDALLRVFH-UHFFFAOYSA-N 1 0 328.460 2.758 20 10 EFCDRO CC[C@@H]([NH2+]CCCNC(C)=O)c1cc(Br)ccc1O ZINC000154991045 472494385 /nfs/dbraw/zinc/49/43/85/472494385.db2.gz HJLBKHPZJQTFNF-CYBMUJFWSA-N 1 0 329.238 2.722 20 10 EFCDRO CC(C)N(C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000070758260 472509040 /nfs/dbraw/zinc/50/90/40/472509040.db2.gz SXHBXFBFODRNAQ-UHFFFAOYSA-N 1 0 347.503 2.600 20 10 EFCDRO CC(=O)NC1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000155190906 472517707 /nfs/dbraw/zinc/51/77/07/472517707.db2.gz VANOLZNKCQGJKF-MNNVXMFVSA-N 1 0 345.487 2.621 20 10 EFCDRO CC1CCN(C(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000070975905 472530910 /nfs/dbraw/zinc/53/09/10/472530910.db2.gz JITKCFILLVLVIY-SFHVURJKSA-N 1 0 346.471 2.632 20 10 EFCDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(C)n1-c1ccccn1 ZINC000058299343 472541412 /nfs/dbraw/zinc/54/14/12/472541412.db2.gz MDGRMMZBEIEXAV-ZWKOTPCHSA-N 1 0 338.455 2.846 20 10 EFCDRO CC1CC[NH+](CCNC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000046370262 472549335 /nfs/dbraw/zinc/54/93/35/472549335.db2.gz ZOJNIGLNPNUSTI-UHFFFAOYSA-N 1 0 332.492 2.626 20 10 EFCDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(N(C)C)c(F)c1)CC2 ZINC000130231711 472592065 /nfs/dbraw/zinc/59/20/65/472592065.db2.gz SFKYQHQHPNJOHU-ZWKOTPCHSA-N 1 0 336.451 2.644 20 10 EFCDRO CC[C@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1ccc(N(C)C)cc1 ZINC000090395279 472613939 /nfs/dbraw/zinc/61/39/39/472613939.db2.gz GPBJLEIIUHMGPC-WBVHZDCISA-N 1 0 343.475 2.546 20 10 EFCDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000120024073 472619065 /nfs/dbraw/zinc/61/90/65/472619065.db2.gz NMMMYKMFEANDIQ-CQSZACIVSA-N 1 0 328.412 2.676 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000131969609 472706376 /nfs/dbraw/zinc/70/63/76/472706376.db2.gz XLIHVVIOIFUIBA-UWJYYQICSA-N 1 0 340.467 2.777 20 10 EFCDRO CC[C@@H]([NH2+]CCNC(=O)c1ccc(OC)cc1)c1ccccc1O ZINC000156456755 472710053 /nfs/dbraw/zinc/71/00/53/472710053.db2.gz ALCMECHKEAYXLV-QGZVFWFLSA-N 1 0 328.412 2.872 20 10 EFCDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(N(C)C)cc2)N2CCOCC2)o1 ZINC000073052061 472765411 /nfs/dbraw/zinc/76/54/11/472765411.db2.gz NOBDGTLKHACGRB-LJQANCHMSA-N 1 0 343.471 2.817 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCCc3c[nH]nc3C)CC2)cc1 ZINC000133059497 472771979 /nfs/dbraw/zinc/77/19/79/472771979.db2.gz XXCIWBNYZFHPBK-UHFFFAOYSA-N 1 0 328.460 2.918 20 10 EFCDRO Oc1ccc(Br)cc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000091855640 472816907 /nfs/dbraw/zinc/81/69/07/472816907.db2.gz VUDVMLNADFPHMY-JSGCOSHPSA-N 1 0 344.274 2.861 20 10 EFCDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000091892530 472821646 /nfs/dbraw/zinc/82/16/46/472821646.db2.gz OBIOFVBGCRBCRY-UXHICEINSA-N 1 0 329.488 2.582 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000121270887 472826329 /nfs/dbraw/zinc/82/63/29/472826329.db2.gz JTQCJZZOISZGDU-LJQANCHMSA-N 1 0 344.503 2.913 20 10 EFCDRO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1)OCO2 ZINC000091958899 472831857 /nfs/dbraw/zinc/83/18/57/472831857.db2.gz ZLXYXNFARGBQRO-HIFRSBDPSA-N 1 0 331.368 2.802 20 10 EFCDRO c1cc(N2CCOCC2)ccc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000092046924 472847824 /nfs/dbraw/zinc/84/78/24/472847824.db2.gz HNRFAYINRCDAMS-HXUWFJFHSA-N 1 0 329.488 2.583 20 10 EFCDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 ZINC000133929350 472855917 /nfs/dbraw/zinc/85/59/17/472855917.db2.gz HMYWDHULPCGNRM-INIZCTEOSA-N 1 0 341.455 2.927 20 10 EFCDRO O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000073717250 472859827 /nfs/dbraw/zinc/85/98/27/472859827.db2.gz SEMPKNKGZORCNY-AWEZNQCLSA-N 1 0 343.471 2.555 20 10 EFCDRO C[N@@H+](Cc1cc(Br)ccc1O)CC1CC[NH+](C)CC1 ZINC000134006156 472864019 /nfs/dbraw/zinc/86/40/19/472864019.db2.gz BXTRVQCRRREIQN-UHFFFAOYSA-N 1 0 327.266 2.928 20 10 EFCDRO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1O ZINC000079474241 472870907 /nfs/dbraw/zinc/87/09/07/472870907.db2.gz FIOJMVUIWXKRDF-CYBMUJFWSA-N 1 0 331.391 2.532 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3occc3C)cc2F)CC1 ZINC000106702846 472882506 /nfs/dbraw/zinc/88/25/06/472882506.db2.gz PEQDKPKXGMDWOA-UHFFFAOYSA-N 1 0 345.418 2.799 20 10 EFCDRO CCO[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158039130 472886201 /nfs/dbraw/zinc/88/62/01/472886201.db2.gz JLLISBMWBXKGOZ-DOMZBBRYSA-N 1 0 340.851 2.551 20 10 EFCDRO CO[C@@H](C)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134261146 472890116 /nfs/dbraw/zinc/89/01/16/472890116.db2.gz YTJBWMMSKIOZRN-WFASDCNBSA-N 1 0 340.851 2.551 20 10 EFCDRO COCCC[N@H+](Cc1ccncc1)Cc1cc2c(cc1O)OCO2 ZINC000106855953 472898356 /nfs/dbraw/zinc/89/83/56/472898356.db2.gz JLXVLQMHURYQGU-UHFFFAOYSA-N 1 0 330.384 2.555 20 10 EFCDRO Cc1ccc(O)c(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)c1 ZINC000121903204 472942185 /nfs/dbraw/zinc/94/21/85/472942185.db2.gz OYJMZEJRGSMUIK-UHFFFAOYSA-N 1 0 336.439 2.666 20 10 EFCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000092707675 472968674 /nfs/dbraw/zinc/96/86/74/472968674.db2.gz ANGJACLMADGVJR-OAHLLOKOSA-N 1 0 334.460 2.919 20 10 EFCDRO CCOc1cccc(C[N@H+](CCC(N)=O)Cc2ccccc2)c1O ZINC000122101497 472975797 /nfs/dbraw/zinc/97/57/97/472975797.db2.gz OXOFPLLBSGGGEE-UHFFFAOYSA-N 1 0 328.412 2.669 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCCN(Cc3cscn3)CC2)cc1 ZINC000093015730 473026575 /nfs/dbraw/zinc/02/65/75/473026575.db2.gz PBLQRMMTSPFZCC-UHFFFAOYSA-N 1 0 330.501 2.917 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000108928666 473067409 /nfs/dbraw/zinc/06/74/09/473067409.db2.gz QXXFQGRNXXNPIW-HNNXBMFYSA-N 1 0 331.460 2.798 20 10 EFCDRO COc1ccc(C[N@H+](CCO)Cc2cc(C)ccc2O)c(OC)c1 ZINC000093363791 473096425 /nfs/dbraw/zinc/09/64/25/473096425.db2.gz LENKVENBQFBMIN-UHFFFAOYSA-N 1 0 331.412 2.712 20 10 EFCDRO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466702 473109609 /nfs/dbraw/zinc/10/96/09/473109609.db2.gz PGZHNOOMKPZYLX-JKSUJKDBSA-N 1 0 333.476 2.511 20 10 EFCDRO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466707 473110162 /nfs/dbraw/zinc/11/01/62/473110162.db2.gz PGZHNOOMKPZYLX-HOTGVXAUSA-N 1 0 333.476 2.511 20 10 EFCDRO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)NC3CCCC3)CC2)cc1 ZINC000052466266 473110270 /nfs/dbraw/zinc/11/02/70/473110270.db2.gz JOCNTWAVYZJPDG-MRXNPFEDSA-N 1 0 345.487 2.655 20 10 EFCDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)CC2)cc1 ZINC000052466384 473110406 /nfs/dbraw/zinc/11/04/06/473110406.db2.gz FSQAFZWQKLOLDE-HNNXBMFYSA-N 1 0 333.476 2.511 20 10 EFCDRO COc1cccc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)c1O ZINC000093512719 473113688 /nfs/dbraw/zinc/11/36/88/473113688.db2.gz JIZIZRBFQTXQIM-UHFFFAOYSA-N 1 0 347.846 2.767 20 10 EFCDRO C[N@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccccc1O ZINC000109773813 473120484 /nfs/dbraw/zinc/12/04/84/473120484.db2.gz XUTLWXZWANGZDB-UHFFFAOYSA-N 1 0 330.453 2.861 20 10 EFCDRO CNC(=O)CC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000093587642 473121547 /nfs/dbraw/zinc/12/15/47/473121547.db2.gz CUNCGUKQLFLBRB-UHFFFAOYSA-N 1 0 341.249 2.503 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC3(CC2)[C@H](O)C[C@H]3OCC)c1O ZINC000093613659 473125275 /nfs/dbraw/zinc/12/52/75/473125275.db2.gz UOQQSOPEZGBNDL-IAGOWNOFSA-N 1 0 335.444 2.543 20 10 EFCDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC000093613674 473126091 /nfs/dbraw/zinc/12/60/91/473126091.db2.gz IOUHJWHLHXCWLD-HOTGVXAUSA-N 1 0 325.836 2.798 20 10 EFCDRO CCOc1cccc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)c1O ZINC000136028310 473129515 /nfs/dbraw/zinc/12/95/15/473129515.db2.gz FIAFLUCGGZERLI-UHFFFAOYSA-N 1 0 334.460 2.966 20 10 EFCDRO CCOc1cccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000093646786 473130966 /nfs/dbraw/zinc/13/09/66/473130966.db2.gz NGMAHNAUUGUOBP-ZBFHGGJFSA-N 1 0 341.473 2.579 20 10 EFCDRO C[C@H]1CCCCN1C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000123482407 473146486 /nfs/dbraw/zinc/14/64/86/473146486.db2.gz KXDGKFVKKSRSBE-WMZOPIPTSA-N 1 0 346.471 2.774 20 10 EFCDRO CCc1nsc(N2CCC[N@H+](Cc3cccc(OC)c3O)CC2)n1 ZINC000093871594 473157521 /nfs/dbraw/zinc/15/75/21/473157521.db2.gz CEKAQZNCMMBTDI-UHFFFAOYSA-N 1 0 348.472 2.527 20 10 EFCDRO COC(=O)c1coc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000111232939 473197640 /nfs/dbraw/zinc/19/76/40/473197640.db2.gz GPPXSANBSRRJMU-INIZCTEOSA-N 1 0 345.395 2.953 20 10 EFCDRO Cc1cccc(OCCNC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)c1 ZINC000111236085 473198249 /nfs/dbraw/zinc/19/82/49/473198249.db2.gz DIVHZMHYLHCOCE-INIZCTEOSA-N 1 0 342.439 2.716 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1cc(F)ccc1O ZINC000185375377 473409962 /nfs/dbraw/zinc/40/99/62/473409962.db2.gz QHWZONQKUBQFLZ-PWSUYJOCSA-N 1 0 341.329 2.900 20 10 EFCDRO C[C@@H]([NH2+]CCSCCCO)c1ccc(Br)cc1O ZINC000185379102 473411029 /nfs/dbraw/zinc/41/10/29/473411029.db2.gz JVFYADIWHQHPCK-SNVBAGLBSA-N 1 0 334.279 2.921 20 10 EFCDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185467880 473434635 /nfs/dbraw/zinc/43/46/35/473434635.db2.gz RPHAUNKKYHPQMM-IINYFYTJSA-N 1 0 332.238 2.593 20 10 EFCDRO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185512010 473445950 /nfs/dbraw/zinc/44/59/50/473445950.db2.gz FKGZUQCNQGRLFD-VYUIOLGVSA-N 1 0 334.279 2.918 20 10 EFCDRO CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@H](C)C1 ZINC000151569278 473473734 /nfs/dbraw/zinc/47/37/34/473473734.db2.gz IAPXHQJKFCPLAC-UTKZUKDTSA-N 1 0 345.531 2.715 20 10 EFCDRO COc1ccc(O)c(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000114541969 473480942 /nfs/dbraw/zinc/48/09/42/473480942.db2.gz BUPUTYAAQKBFAK-SFHVURJKSA-N 1 0 340.423 2.682 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccccc2O)cc1 ZINC000171936926 473486118 /nfs/dbraw/zinc/48/61/18/473486118.db2.gz BXCGTQBUUAOEDS-UHFFFAOYSA-N 1 0 341.455 2.549 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)c1 ZINC000185686846 473488815 /nfs/dbraw/zinc/48/88/15/473488815.db2.gz GBJYBAIOXGQRRP-OLZOCXBDSA-N 1 0 331.391 2.864 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)C3CC3)cc2F)CC1 ZINC000178480361 473520282 /nfs/dbraw/zinc/52/02/82/473520282.db2.gz RTBAPBIGZBVRAB-CQSZACIVSA-N 1 0 333.451 2.630 20 10 EFCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000178665416 473543078 /nfs/dbraw/zinc/54/30/78/473543078.db2.gz AZVATVRXYWYJFD-GJZGRUSLSA-N 1 0 328.460 2.977 20 10 EFCDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1ccc(N2CCCC2)cc1 ZINC000178710909 473546348 /nfs/dbraw/zinc/54/63/48/473546348.db2.gz LFMINPHIFOXENU-AYHJJNSGSA-N 1 0 327.472 2.824 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3CCC[NH2+]3)c2C)cc1 ZINC000178766252 473557279 /nfs/dbraw/zinc/55/72/79/473557279.db2.gz MJFYFTBFHNCVOZ-HNNXBMFYSA-N 1 0 327.428 2.585 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(Cl)ccc1O ZINC000186021404 473573473 /nfs/dbraw/zinc/57/34/73/473573473.db2.gz CCAKYJLDQUQCTK-LDYMZIIASA-N 1 0 336.741 2.859 20 10 EFCDRO CC(C)N1CC[C@H]([NH2+][C@H](C)c2cc(Br)ccc2O)C1=O ZINC000186047629 473578118 /nfs/dbraw/zinc/57/81/18/473578118.db2.gz VIOOWEILJQOGKE-MFKMUULPSA-N 1 0 341.249 2.815 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c(O)c1 ZINC000186144460 473599618 /nfs/dbraw/zinc/59/96/18/473599618.db2.gz JEMFGOBVJARRPF-YPMHNXCESA-N 1 0 330.350 2.905 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CC[S@](=O)C(C)(C)C)CC2)cc1 ZINC000127383995 473605939 /nfs/dbraw/zinc/60/59/39/473605939.db2.gz HBSHOSWFLBEKGE-HSZRJFAPSA-N 1 0 338.517 2.801 20 10 EFCDRO Cc1c(/C=C/C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cnn1C ZINC000179073416 473623119 /nfs/dbraw/zinc/62/31/19/473623119.db2.gz OPBFTHVKEHZARP-QZEKMECESA-N 1 0 336.439 2.753 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000153761416 473639834 /nfs/dbraw/zinc/63/98/34/473639834.db2.gz YEDTWKFCCHTFGU-OXJNMPFZSA-N 1 0 326.440 2.907 20 10 EFCDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000186356093 473658429 /nfs/dbraw/zinc/65/84/29/473658429.db2.gz TYRSRIBXJHHIEK-WFASDCNBSA-N 1 0 342.867 2.874 20 10 EFCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000186433461 473674265 /nfs/dbraw/zinc/67/42/65/473674265.db2.gz NIMKGFIXYPTROX-GDBMZVCRSA-N 1 0 346.471 2.800 20 10 EFCDRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179587589 473697286 /nfs/dbraw/zinc/69/72/86/473697286.db2.gz LWMUHINRQTYIHS-UHFFFAOYSA-N 1 0 326.396 2.949 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1 ZINC000179767346 473721736 /nfs/dbraw/zinc/72/17/36/473721736.db2.gz MVYPZVSFWVPKEH-HNNXBMFYSA-N 1 0 346.471 2.871 20 10 EFCDRO c1cc(N2CCOCC2)ccc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000179770039 473722628 /nfs/dbraw/zinc/72/26/28/473722628.db2.gz KVATUDMBTFQVRE-UHFFFAOYSA-N 1 0 343.515 2.974 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000179780917 473726324 /nfs/dbraw/zinc/72/63/24/473726324.db2.gz FPBFXZNPIIAGPT-UHFFFAOYSA-N 1 0 343.383 2.631 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000179796233 473728666 /nfs/dbraw/zinc/72/86/66/473728666.db2.gz YNTDDHIJFRYZRM-UHFFFAOYSA-N 1 0 346.452 2.810 20 10 EFCDRO CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287695899 473736087 /nfs/dbraw/zinc/73/60/87/473736087.db2.gz NJWOSYQBBGSXTQ-CZUORRHYSA-N 1 0 325.884 2.722 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[NH2+]CC1CC1 ZINC000269246006 473747511 /nfs/dbraw/zinc/74/75/11/473747511.db2.gz PMBSTBLANHBOJZ-UHFFFAOYSA-N 1 0 341.249 2.503 20 10 EFCDRO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2ccccc2O)C1=O ZINC000179888770 473749622 /nfs/dbraw/zinc/74/96/22/473749622.db2.gz BUOKMEQQJHDNKB-HIFRSBDPSA-N 1 0 326.396 2.857 20 10 EFCDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000287862468 473781245 /nfs/dbraw/zinc/78/12/45/473781245.db2.gz WOYKQFFHSHLSPU-INIZCTEOSA-N 1 0 332.492 2.672 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCNC(=O)C2CC2)c1O ZINC000186926243 473783138 /nfs/dbraw/zinc/78/31/38/473783138.db2.gz XEXIIRYXAHFTMD-JTQLQIEISA-N 1 0 341.249 2.640 20 10 EFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCC(=O)N(C)C)c1O ZINC000187097240 473817294 /nfs/dbraw/zinc/81/72/94/473817294.db2.gz ISXMCDWJFVAVLJ-LLVKDONJSA-N 1 0 343.265 2.982 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cccc(O)c1O ZINC000187118788 473821814 /nfs/dbraw/zinc/82/18/14/473821814.db2.gz QUQHKYDVYUGLAE-HNNXBMFYSA-N 1 0 340.423 2.834 20 10 EFCDRO Fc1cc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1N1CCOCC1 ZINC000193982456 473823698 /nfs/dbraw/zinc/82/36/98/473823698.db2.gz ORSXVFROPHRKTI-AYOQOUSVSA-N 1 0 346.446 2.710 20 10 EFCDRO C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)CC[N@@H+]1Cc1ccccc1 ZINC000187171136 473831176 /nfs/dbraw/zinc/83/11/76/473831176.db2.gz JYCLSZKVYNFZMK-GDBMZVCRSA-N 1 0 340.423 2.881 20 10 EFCDRO Cc1ccc([C@@H](C[NH2+]Cc2cc(F)ccc2O)N2CCOCC2)o1 ZINC000180411848 473871394 /nfs/dbraw/zinc/87/13/94/473871394.db2.gz PQCWZOXEWXYVLC-MRXNPFEDSA-N 1 0 334.391 2.596 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1F ZINC000264253963 473957552 /nfs/dbraw/zinc/95/75/52/473957552.db2.gz CDYLWAXWAVODSX-INIZCTEOSA-N 1 0 348.466 2.662 20 10 EFCDRO O=C(CCC[NH2+]Cc1cc(F)ccc1O)N1Cc2ccccc2C1 ZINC000180763899 473958712 /nfs/dbraw/zinc/95/87/12/473958712.db2.gz RKRMCXILADLNEE-UHFFFAOYSA-N 1 0 328.387 2.944 20 10 EFCDRO C[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[N@H+](C)C1CC1 ZINC000264281083 473959773 /nfs/dbraw/zinc/95/97/73/473959773.db2.gz JRXUHXZSVVWGKE-HNNXBMFYSA-N 1 0 344.503 2.909 20 10 EFCDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000188046659 473963235 /nfs/dbraw/zinc/96/32/35/473963235.db2.gz WEKYYEOGJLJXGG-OAHLLOKOSA-N 1 0 342.439 2.928 20 10 EFCDRO CC[C@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1ccccc1O ZINC000274805840 473966830 /nfs/dbraw/zinc/96/68/30/473966830.db2.gz WOYDKLPWCOUWMX-WFASDCNBSA-N 1 0 343.349 2.617 20 10 EFCDRO COc1cccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000264378717 473970081 /nfs/dbraw/zinc/97/00/81/473970081.db2.gz NTPNLAQBCSUTQF-UHFFFAOYSA-N 1 0 336.432 2.890 20 10 EFCDRO C[NH+](C)CCN(Cc1cccs1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180853334 473978252 /nfs/dbraw/zinc/97/82/52/473978252.db2.gz STNBWWVKPVVSMY-SOFGYWHQSA-N 1 0 346.452 2.763 20 10 EFCDRO COC(=O)COc1ccc(C[N@H+](C)Cc2cccc(OC)c2O)cc1 ZINC000274893892 474003357 /nfs/dbraw/zinc/00/33/57/474003357.db2.gz FEJOOBMJQIOABO-UHFFFAOYSA-N 1 0 345.395 2.585 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CC2([S@@](C)=O)CC2)c(C(F)(F)F)c1 ZINC000282298175 474013320 /nfs/dbraw/zinc/01/33/20/474013320.db2.gz JODKDTGQOHRCQW-JOCHJYFZSA-N 1 0 334.407 2.772 20 10 EFCDRO C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc(Br)ccc1O ZINC000282302178 474014616 /nfs/dbraw/zinc/01/46/16/474014616.db2.gz MLRPKDBNFKTPIO-DYBLOJMWSA-N 1 0 332.263 2.716 20 10 EFCDRO COc1ccc(O)c(C[NH2+]CCc2nc3c(cccc3F)n2C)c1 ZINC000181286267 474020993 /nfs/dbraw/zinc/02/09/93/474020993.db2.gz NOJLGRXETOHNCE-UHFFFAOYSA-N 1 0 329.375 2.759 20 10 EFCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000274945920 474024158 /nfs/dbraw/zinc/02/41/58/474024158.db2.gz QPERLYHAIBTTCT-BBRMVZONSA-N 1 0 332.444 2.552 20 10 EFCDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181317547 474024856 /nfs/dbraw/zinc/02/48/56/474024856.db2.gz GFHIFEFSUJYKCS-SLZMIMFISA-N 1 0 340.423 2.748 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1F ZINC000264529439 474025546 /nfs/dbraw/zinc/02/55/46/474025546.db2.gz YFACBOXXZYZQMK-INIZCTEOSA-N 1 0 348.466 2.662 20 10 EFCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000282358972 474036137 /nfs/dbraw/zinc/03/61/37/474036137.db2.gz DBIKCJPGBSFBIE-QGZVFWFLSA-N 1 0 342.443 2.533 20 10 EFCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000282445795 474068816 /nfs/dbraw/zinc/06/88/16/474068816.db2.gz LIRNGQLMDACPLJ-NVXWUHKLSA-N 1 0 334.460 2.678 20 10 EFCDRO COC[C@@H]1CN(Cc2cc(Br)cc(C)c2O)C[C@@H](C)O1 ZINC000188361653 474070636 /nfs/dbraw/zinc/07/06/36/474070636.db2.gz YXDAQTSUKYQMTH-RISCZKNCSA-N 1 0 344.249 2.699 20 10 EFCDRO CCCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1O ZINC000282454373 474072459 /nfs/dbraw/zinc/07/24/59/474072459.db2.gz MCCGDVGODAFAOV-UHFFFAOYSA-N 1 0 345.399 2.764 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)cc1OC ZINC000182095527 474098769 /nfs/dbraw/zinc/09/87/69/474098769.db2.gz CMHQEHMYYZOFAT-MYYSRTQBSA-N 1 0 349.452 2.619 20 10 EFCDRO Oc1ccccc1CN(Cc1nnc2n1CCCC2)C[C@@H]1CCCO1 ZINC000264724286 474104328 /nfs/dbraw/zinc/10/43/28/474104328.db2.gz POFRLTVVOFIRDZ-INIZCTEOSA-N 1 0 342.443 2.501 20 10 EFCDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000275260269 474122114 /nfs/dbraw/zinc/12/21/14/474122114.db2.gz HUWNEGMZBINDTP-LPHOPBHVSA-N 1 0 327.428 2.592 20 10 EFCDRO C[C@](O)(C[NH2+]Cc1cc(Br)ccc1O)C(F)(F)F ZINC000270487528 474138408 /nfs/dbraw/zinc/13/84/08/474138408.db2.gz KPDYVNVTXMMVNR-JTQLQIEISA-N 1 0 328.128 2.558 20 10 EFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC000264973158 474163116 /nfs/dbraw/zinc/16/31/16/474163116.db2.gz GQYBMLHACSILSK-IBGZPJMESA-N 1 0 341.455 2.969 20 10 EFCDRO COC[C@@H](CCO)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000275378021 474163998 /nfs/dbraw/zinc/16/39/98/474163998.db2.gz WYYVSDKSJJPIOC-ZYHUDNBSSA-N 1 0 332.238 2.511 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)c1 ZINC000182405012 474167457 /nfs/dbraw/zinc/16/74/57/474167457.db2.gz JYFONZXEGXXCQJ-CQSZACIVSA-N 1 0 328.412 2.710 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)c1 ZINC000182463319 474181884 /nfs/dbraw/zinc/18/18/84/474181884.db2.gz HYXJLQRKPPNDRB-CYBMUJFWSA-N 1 0 328.412 2.953 20 10 EFCDRO COc1ccc(O)c(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c1 ZINC000188749112 474183242 /nfs/dbraw/zinc/18/32/42/474183242.db2.gz JMSCZSXBHRJKIH-UHFFFAOYSA-N 1 0 332.366 2.765 20 10 EFCDRO CCCOc1ccc(CN2C[C@@H](CC)[S@@](=O)[C@@H](C)C2)c(O)c1 ZINC000289209954 474184273 /nfs/dbraw/zinc/18/42/73/474184273.db2.gz BXUKXTXYTHNMBQ-IATAILRESA-N 1 0 325.474 2.912 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H]2c2nccn2CC)c1 ZINC000275448101 474189182 /nfs/dbraw/zinc/18/91/82/474189182.db2.gz GIRSTYSOPNROEF-RDJZCZTQSA-N 1 0 331.416 2.627 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000182501322 474191807 /nfs/dbraw/zinc/19/18/07/474191807.db2.gz PNVJRECKEUFQGR-MSOLQXFVSA-N 1 0 338.517 2.978 20 10 EFCDRO COc1cc(N2CC[NH+](Cc3cccc(OC)c3O)CC2)ccc1F ZINC000282816031 474205420 /nfs/dbraw/zinc/20/54/20/474205420.db2.gz AKAKCOVFAVTYPK-UHFFFAOYSA-N 1 0 346.402 2.871 20 10 EFCDRO CC[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[NH+](CC)CC ZINC000265424150 474208474 /nfs/dbraw/zinc/20/84/74/474208474.db2.gz KCIXHQWOGOQWIV-IBGZPJMESA-N 1 0 347.503 2.602 20 10 EFCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000182671881 474229781 /nfs/dbraw/zinc/22/97/81/474229781.db2.gz ZODRXQZNFQOZNW-MRXNPFEDSA-N 1 0 340.423 2.539 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000182668301 474230551 /nfs/dbraw/zinc/23/05/51/474230551.db2.gz NODKIMOLGJRZLZ-SFTDATJTSA-N 1 0 338.451 2.613 20 10 EFCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000227437683 474246668 /nfs/dbraw/zinc/24/66/68/474246668.db2.gz WXMSVDHVYPTOFA-KBPBESRZSA-N 1 0 325.250 2.871 20 10 EFCDRO CC[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1cc(Br)ccc1O ZINC000228058038 474247358 /nfs/dbraw/zinc/24/73/58/474247358.db2.gz ZKXLHSYHPGNDFY-DGFSRKRXSA-N 1 0 344.249 2.735 20 10 EFCDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000289408148 474259119 /nfs/dbraw/zinc/25/91/19/474259119.db2.gz HMGSIWYKXHYYOF-ZDUSSCGKSA-N 1 0 344.411 2.916 20 10 EFCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000275665741 474272595 /nfs/dbraw/zinc/27/25/95/474272595.db2.gz BYNDWHHLDKQXOF-GOSISDBHSA-N 1 0 336.451 2.957 20 10 EFCDRO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]Cc1ccccc1O ZINC000236670465 474279063 /nfs/dbraw/zinc/27/90/63/474279063.db2.gz BUTGCMJWEZSLGF-UHFFFAOYSA-N 1 0 348.468 2.759 20 10 EFCDRO Cc1ccc(O)c(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000265780840 474333801 /nfs/dbraw/zinc/33/38/01/474333801.db2.gz OHEFUVQFNRLJCE-QUCCMNQESA-N 1 0 340.467 2.673 20 10 EFCDRO C[NH+](C)C1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CCCC1 ZINC000265832827 474353791 /nfs/dbraw/zinc/35/37/91/474353791.db2.gz DZVBJBLASRWCEI-UHFFFAOYSA-N 1 0 342.487 2.736 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(N2CCCCCC2)cc1 ZINC000183353577 474374961 /nfs/dbraw/zinc/37/49/61/474374961.db2.gz WRIQLDBAMOHPPK-QGZVFWFLSA-N 1 0 345.487 2.576 20 10 EFCDRO CN(C)C(=O)c1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)[nH]1 ZINC000271050958 474385539 /nfs/dbraw/zinc/38/55/39/474385539.db2.gz PMIPCNBTBIAUAN-UHFFFAOYSA-N 1 0 340.471 2.947 20 10 EFCDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000189408662 474388176 /nfs/dbraw/zinc/38/81/76/474388176.db2.gz GQCXXEZMVONFHT-ZJUUUORDSA-N 1 0 329.238 2.672 20 10 EFCDRO C[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccccc1O ZINC000183521406 474389063 /nfs/dbraw/zinc/38/90/63/474389063.db2.gz BXFXJPGKBWJHEK-JTQLQIEISA-N 1 0 326.322 2.964 20 10 EFCDRO COc1cccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c1O ZINC000189465489 474408539 /nfs/dbraw/zinc/40/85/39/474408539.db2.gz OWTGLYBVVNNAGX-UHFFFAOYSA-N 1 0 332.366 2.765 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1F ZINC000289821482 474443315 /nfs/dbraw/zinc/44/33/15/474443315.db2.gz TYBCTVFKURGZKW-STQMWFEESA-N 1 0 334.357 2.884 20 10 EFCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000271216485 474445963 /nfs/dbraw/zinc/44/59/63/474445963.db2.gz XAHXMTRHLBUMTE-QGZVFWFLSA-N 1 0 336.501 2.543 20 10 EFCDRO COc1cccc(C[N@@H+]2CCN(C(C)=O)C3(CCCCC3)C2)c1O ZINC000271224783 474450186 /nfs/dbraw/zinc/45/01/86/474450186.db2.gz ACMUEVWLFPBMSG-UHFFFAOYSA-N 1 0 332.444 2.768 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1F ZINC000271276147 474470572 /nfs/dbraw/zinc/47/05/72/474470572.db2.gz KZGNQEGQZIGJSU-QAPCUYQASA-N 1 0 346.450 2.571 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1F ZINC000271276149 474470882 /nfs/dbraw/zinc/47/08/82/474470882.db2.gz KZGNQEGQZIGJSU-YJBOKZPZSA-N 1 0 346.450 2.571 20 10 EFCDRO CCN(CCC[NH+](C)C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000189738553 474475563 /nfs/dbraw/zinc/47/55/63/474475563.db2.gz AOKNNQGEXRQWCV-UHFFFAOYSA-N 1 0 330.476 2.546 20 10 EFCDRO CC[NH+](CC)CCSCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000266770910 474476565 /nfs/dbraw/zinc/47/65/65/474476565.db2.gz QCATWBPNTQYICG-UHFFFAOYSA-N 1 0 337.533 2.786 20 10 EFCDRO CCCN(CCC)c1ccc(C[NH2+]CCCn2cc(CO)nn2)cc1 ZINC000289932580 474490570 /nfs/dbraw/zinc/49/05/70/474490570.db2.gz TXLCHRBJYCJUMI-UHFFFAOYSA-N 1 0 345.491 2.577 20 10 EFCDRO Cc1cccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c1O ZINC000184429885 474512799 /nfs/dbraw/zinc/51/27/99/474512799.db2.gz QXLIOSOBFPWVMF-UHFFFAOYSA-N 1 0 346.452 2.530 20 10 EFCDRO Oc1ccc(Br)cc1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000271418289 474537663 /nfs/dbraw/zinc/53/76/63/474537663.db2.gz LRACAAQNQHDFSF-ZDUSSCGKSA-N 1 0 342.233 2.930 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000290071576 474546803 /nfs/dbraw/zinc/54/68/03/474546803.db2.gz UFVUBOMKTKPPNK-HXUWFJFHSA-N 1 0 331.504 2.564 20 10 EFCDRO CC[C@@H]([NH2+][C@H]1COC[C@@H]1OC)c1cc(Br)ccc1O ZINC000290121090 474558281 /nfs/dbraw/zinc/55/82/81/474558281.db2.gz JJOKFVUEQQMUDZ-DYEKYZERSA-N 1 0 330.222 2.609 20 10 EFCDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000290167627 474560537 /nfs/dbraw/zinc/56/05/37/474560537.db2.gz MNVYPKKFTJYUIZ-CYBMUJFWSA-N 1 0 342.823 2.765 20 10 EFCDRO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000271470798 474563029 /nfs/dbraw/zinc/56/30/29/474563029.db2.gz HCQZHTYRKCMMPI-BLVKFPJESA-N 1 0 345.395 2.995 20 10 EFCDRO CCn1nccc1N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1=O ZINC000276590357 474566594 /nfs/dbraw/zinc/56/65/94/474566594.db2.gz DICRVBCKEJIKIW-MRXNPFEDSA-N 1 0 342.443 2.505 20 10 EFCDRO Cc1cccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1O ZINC000290316488 474566932 /nfs/dbraw/zinc/56/69/32/474566932.db2.gz CPHCOJMHAUEFKQ-VQTJNVASSA-N 1 0 340.467 2.673 20 10 EFCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000276647479 474567063 /nfs/dbraw/zinc/56/70/63/474567063.db2.gz YKSLYMOUQSINAI-BETUJISGSA-N 1 0 338.423 2.725 20 10 EFCDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000276647482 474567739 /nfs/dbraw/zinc/56/77/39/474567739.db2.gz YKSLYMOUQSINAI-CHWSQXEVSA-N 1 0 338.423 2.725 20 10 EFCDRO CC[NH+](CC)[C@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccco1 ZINC000276668390 474568085 /nfs/dbraw/zinc/56/80/85/474568085.db2.gz YZGWUMCJECTPJP-GFCCVEGCSA-N 1 0 336.363 2.643 20 10 EFCDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1c(F)ccc(O)c1O ZINC000276666224 474568616 /nfs/dbraw/zinc/56/86/16/474568616.db2.gz YQAUXXSDWQRZBS-UHFFFAOYSA-N 1 0 344.386 2.763 20 10 EFCDRO CCOCCOCC[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000190261419 474570860 /nfs/dbraw/zinc/57/08/60/474570860.db2.gz PAWUNLWBGVLZOC-UHFFFAOYSA-N 1 0 329.824 2.733 20 10 EFCDRO COc1cc(O)c(C[NH2+]CC[C@](C)(O)c2ccccc2)cc1OC ZINC000190274191 474572127 /nfs/dbraw/zinc/57/21/27/474572127.db2.gz BGLFRVQDIPTWLS-IBGZPJMESA-N 1 0 331.412 2.797 20 10 EFCDRO CCCOc1ccc(C[N@@H+]2CCCN(CC(F)F)CC2)c(O)c1 ZINC000290436526 474572364 /nfs/dbraw/zinc/57/23/64/474572364.db2.gz LPVCLSQUTSXAEX-UHFFFAOYSA-N 1 0 328.403 2.954 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000277279604 474580637 /nfs/dbraw/zinc/58/06/37/474580637.db2.gz ANEYIJXGLWGJBX-IBGZPJMESA-N 1 0 344.503 2.911 20 10 EFCDRO C[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000271527443 474581235 /nfs/dbraw/zinc/58/12/35/474581235.db2.gz QKHMSTNRRAWCEQ-QKYXUNIQSA-N 1 0 328.456 2.888 20 10 EFCDRO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1O ZINC000271649446 474583302 /nfs/dbraw/zinc/58/33/02/474583302.db2.gz IRVJINZAUBTCEB-AEFFLSMTSA-N 1 0 326.440 2.944 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1O ZINC000184702003 474589890 /nfs/dbraw/zinc/58/98/90/474589890.db2.gz BIYCNVYVYRWWBE-JSGCOSHPSA-N 1 0 329.849 2.761 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000277709754 474593801 /nfs/dbraw/zinc/59/38/01/474593801.db2.gz HAJKLXUMWDIFJQ-GOSISDBHSA-N 1 0 330.476 2.569 20 10 EFCDRO Cc1cnccc1OC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000278008923 474599761 /nfs/dbraw/zinc/59/97/61/474599761.db2.gz FMMKLNZHJYQEJK-UHFFFAOYSA-N 1 0 342.395 2.868 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+]C[C@H]3CCSC3)CC2)cc1 ZINC000278301590 474606534 /nfs/dbraw/zinc/60/65/34/474606534.db2.gz CRWCQQQYSAACAL-QGZVFWFLSA-N 1 0 349.544 2.550 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)c2C)cc1 ZINC000272365515 474609347 /nfs/dbraw/zinc/60/93/47/474609347.db2.gz ZVMNSDDRFBJKNC-ZBFHGGJFSA-N 1 0 341.455 2.912 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H]([C@H](C)[NH3+])C3)c2C)cc1 ZINC000272365511 474610092 /nfs/dbraw/zinc/61/00/92/474610092.db2.gz ZVMNSDDRFBJKNC-HOCLYGCPSA-N 1 0 341.455 2.912 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccccc1O ZINC000272819722 474626706 /nfs/dbraw/zinc/62/67/06/474626706.db2.gz FMBRSHZOKMFQPX-ILZDJORESA-N 1 0 340.467 2.926 20 10 EFCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000267313113 474646001 /nfs/dbraw/zinc/64/60/01/474646001.db2.gz MZUOTONNJBKVCI-QGZVFWFLSA-N 1 0 344.503 2.552 20 10 EFCDRO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2ccccc2O)CC1 ZINC000292881709 474693729 /nfs/dbraw/zinc/69/37/29/474693729.db2.gz XUEBMNZJHXYIPO-UHFFFAOYSA-N 1 0 345.468 2.862 20 10 EFCDRO CCOCc1cc(C[NH2+][C@H](CC(N)=O)c2ccccc2)ccc1OC ZINC000292910609 474710560 /nfs/dbraw/zinc/71/05/60/474710560.db2.gz FKAXKTFUOMKRIJ-GOSISDBHSA-N 1 0 342.439 2.938 20 10 EFCDRO CCOCc1cc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)ccc1OC ZINC000292910612 474710824 /nfs/dbraw/zinc/71/08/24/474710824.db2.gz FKAXKTFUOMKRIJ-SFHVURJKSA-N 1 0 342.439 2.938 20 10 EFCDRO CCC[NH+](CCC)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278624934 474741178 /nfs/dbraw/zinc/74/11/78/474741178.db2.gz GEHMMEPEXDPEBS-UHFFFAOYSA-N 1 0 339.436 2.911 20 10 EFCDRO COc1c([O-])c(C[NH2+]CCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000278642865 474753248 /nfs/dbraw/zinc/75/32/48/474753248.db2.gz ICXQCMHVBQWRIU-UHFFFAOYSA-N 1 0 337.420 2.521 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@H](CC(N)=O)c2ccccc2)c(O)c1 ZINC000292999945 474759194 /nfs/dbraw/zinc/75/91/94/474759194.db2.gz MZHOSBTZOHEDHN-QGZVFWFLSA-N 1 0 328.412 2.887 20 10 EFCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000284765757 474759767 /nfs/dbraw/zinc/75/97/67/474759767.db2.gz MKRBCKBDENFSGZ-HNNXBMFYSA-N 1 0 325.474 2.819 20 10 EFCDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000278711489 474789614 /nfs/dbraw/zinc/78/96/14/474789614.db2.gz PWTAKIBGWVQSLU-OAHLLOKOSA-N 1 0 335.467 2.577 20 10 EFCDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000278711485 474790441 /nfs/dbraw/zinc/79/04/41/474790441.db2.gz PWTAKIBGWVQSLU-HNNXBMFYSA-N 1 0 335.467 2.577 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000268136296 474818503 /nfs/dbraw/zinc/81/85/03/474818503.db2.gz JNNORTFPJGXLJW-HNAYVOBHSA-N 1 0 344.503 2.767 20 10 EFCDRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3ccc(C)c(C)c3O)C2=O)n(C)n1 ZINC000273349490 474853993 /nfs/dbraw/zinc/85/39/93/474853993.db2.gz BLJIEXIHULRGBJ-ZBFHGGJFSA-N 1 0 342.443 2.507 20 10 EFCDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2O)ccc1OCCO ZINC000273363717 474860022 /nfs/dbraw/zinc/86/00/22/474860022.db2.gz DMQHNEIRDGBICW-AWEZNQCLSA-N 1 0 331.412 2.931 20 10 EFCDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000273371172 474864708 /nfs/dbraw/zinc/86/47/08/474864708.db2.gz COAMEHXTKHVDCU-WCQYABFASA-N 1 0 343.265 2.526 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cc(F)ccc1O ZINC000273395023 474876246 /nfs/dbraw/zinc/87/62/46/474876246.db2.gz LTQNSYGXAHTOCH-LBPRGKRZSA-N 1 0 337.416 2.927 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000273391882 474876272 /nfs/dbraw/zinc/87/62/72/474876272.db2.gz KVJSBXUYQFYXIH-KGLIPLIRSA-N 1 0 345.395 2.520 20 10 EFCDRO Cc1c(/C=C\C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)cnn1C ZINC000255617152 474880645 /nfs/dbraw/zinc/88/06/45/474880645.db2.gz OPBFTHVKEHZARP-LPADLIQXSA-N 1 0 336.439 2.753 20 10 EFCDRO Cc1cc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000268238816 474880793 /nfs/dbraw/zinc/88/07/93/474880793.db2.gz OKPOERWMBFJJGH-FZKQIMNGSA-N 1 0 338.455 2.702 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCS(=O)(=O)Cc2ccccc2)c1 ZINC000273413812 474886301 /nfs/dbraw/zinc/88/63/01/474886301.db2.gz QHNFQMDEXRBCQW-OAHLLOKOSA-N 1 0 333.453 2.966 20 10 EFCDRO COCCOCCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000273426728 474891576 /nfs/dbraw/zinc/89/15/76/474891576.db2.gz ULXWNARYFYLYAG-LLVKDONJSA-N 1 0 332.238 2.858 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c(O)c1C ZINC000273438461 474896512 /nfs/dbraw/zinc/89/65/12/474896512.db2.gz XSOKRWZIELRCLB-CQSZACIVSA-N 1 0 348.468 2.550 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000273464414 474913092 /nfs/dbraw/zinc/91/30/92/474913092.db2.gz IPKDDQPNSHMNNQ-KBXCAEBGSA-N 1 0 340.423 2.853 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000273464417 474913648 /nfs/dbraw/zinc/91/36/48/474913648.db2.gz IPKDDQPNSHMNNQ-RDTXWAMCSA-N 1 0 340.423 2.853 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000273464415 474913740 /nfs/dbraw/zinc/91/37/40/474913740.db2.gz IPKDDQPNSHMNNQ-KDOFPFPSSA-N 1 0 340.423 2.853 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)c(O)c1C ZINC000273467666 474915550 /nfs/dbraw/zinc/91/55/50/474915550.db2.gz JAQSYWRVXOIUJG-DGCLKSJQSA-N 1 0 330.350 2.823 20 10 EFCDRO C[C@@H]([NH2+]CCN1CCSCC1)c1cc(Br)ccc1O ZINC000273559367 474962949 /nfs/dbraw/zinc/96/29/49/474962949.db2.gz HQNDERJOPXQLNT-LLVKDONJSA-N 1 0 345.306 2.854 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](OCC)[C@]23CCCO3)c(O)c1 ZINC000273568895 474966860 /nfs/dbraw/zinc/96/68/60/474966860.db2.gz GGOXRMOOSSBRCE-QRVBRYPASA-N 1 0 335.444 2.997 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2cc(OC)cc(OC)c2)c1 ZINC000273591167 474979193 /nfs/dbraw/zinc/97/91/93/474979193.db2.gz PGVWCDGGVQXBJW-CWTRNNRKSA-N 1 0 347.411 2.802 20 10 EFCDRO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279556677 474980496 /nfs/dbraw/zinc/98/04/96/474980496.db2.gz AZRMLBKHSYYUEL-KPWVOAKYSA-N 1 0 336.423 2.970 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)c(O)c1C ZINC000273604016 474986102 /nfs/dbraw/zinc/98/61/02/474986102.db2.gz SOEZMHSRAWLFMH-AEFFLSMTSA-N 1 0 347.503 2.602 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000273622759 474994223 /nfs/dbraw/zinc/99/42/23/474994223.db2.gz ZOJGCTCLCDALJS-GJZGRUSLSA-N 1 0 334.460 2.950 20 10 EFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](CO)COC)cc1 ZINC000279835089 474995908 /nfs/dbraw/zinc/99/59/08/474995908.db2.gz QNCMXDYXWWURBL-IBGZPJMESA-N 1 0 328.456 2.810 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(N2CCOCC2)cc1 ZINC000280091985 475009085 /nfs/dbraw/zinc/00/90/85/475009085.db2.gz MLOMKRBUDDORGP-HNAYVOBHSA-N 1 0 340.471 2.985 20 10 EFCDRO COCCC[N@H+](CCO)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280302674 475020056 /nfs/dbraw/zinc/02/00/56/475020056.db2.gz BIRMHYVTODUFAR-UHFFFAOYSA-N 1 0 334.382 2.602 20 10 EFCDRO Cc1cc(Br)cc(C[NH2+]CCc2nccnc2C)c1O ZINC000293529337 475025041 /nfs/dbraw/zinc/02/50/41/475025041.db2.gz BRYAEEFHUYUDOT-UHFFFAOYSA-N 1 0 336.233 2.894 20 10 EFCDRO Cc1cc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c(C)n1-c1ccccn1 ZINC000261691485 475028147 /nfs/dbraw/zinc/02/81/47/475028147.db2.gz DXXXFYQNZIRSPM-CJNGLKHVSA-N 1 0 326.444 2.689 20 10 EFCDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000285592274 475030946 /nfs/dbraw/zinc/03/09/46/475030946.db2.gz ITHOYVSFUQZKSI-MAUKXSAKSA-N 1 0 330.476 2.521 20 10 EFCDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293555021 475037237 /nfs/dbraw/zinc/03/72/37/475037237.db2.gz LNPBRYMDDYWVQG-INIZCTEOSA-N 1 0 344.377 2.988 20 10 EFCDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H](C)C[NH3+])cc1 ZINC000285755815 475040585 /nfs/dbraw/zinc/04/05/85/475040585.db2.gz JUJGKTHRCIYOFY-OAHLLOKOSA-N 1 0 341.455 2.889 20 10 EFCDRO CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000293570242 475040433 /nfs/dbraw/zinc/04/04/33/475040433.db2.gz DJVSZHOVUMJDCM-FUHWJXTLSA-N 1 0 333.520 2.933 20 10 EFCDRO Cc1ccc([C@@H]([NH2+]Cc2ccccc2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000280646694 475041521 /nfs/dbraw/zinc/04/15/21/475041521.db2.gz JDVMTVPQCHJZBW-KSSFIOAISA-N 1 0 333.453 2.965 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC000285773397 475041468 /nfs/dbraw/zinc/04/14/68/475041468.db2.gz UDQNCPRWAXXWNA-WFASDCNBSA-N 1 0 332.366 2.614 20 10 EFCDRO Cc1nccn1CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268798955 475042417 /nfs/dbraw/zinc/04/24/17/475042417.db2.gz IQWWVUKSUJNLBR-CQSZACIVSA-N 1 0 332.423 2.518 20 10 EFCDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccccc2O)c(OC)c1 ZINC000268818392 475042970 /nfs/dbraw/zinc/04/29/70/475042970.db2.gz JENWYRORVSZDQU-ZDUSSCGKSA-N 1 0 344.411 2.916 20 10 EFCDRO COCc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000268810304 475043819 /nfs/dbraw/zinc/04/38/19/475043819.db2.gz TVZTZQPMXZJGCX-UHFFFAOYSA-N 1 0 334.391 2.692 20 10 EFCDRO CC[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccccc1O ZINC000285859337 475044064 /nfs/dbraw/zinc/04/40/64/475044064.db2.gz ZOHXNJFZAHBLNR-HIFRSBDPSA-N 1 0 332.366 2.696 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c(O)c1 ZINC000293743484 475050722 /nfs/dbraw/zinc/05/07/22/475050722.db2.gz WBLDGXOMGPJDGE-IBGZPJMESA-N 1 0 349.471 2.838 20 10 EFCDRO CN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000280859419 475054276 /nfs/dbraw/zinc/05/42/76/475054276.db2.gz ARDBASYJEKZKPB-UHFFFAOYSA-N 1 0 344.503 2.914 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)c1O ZINC000273815527 475064666 /nfs/dbraw/zinc/06/46/66/475064666.db2.gz ZQDGRQBKHYKGJA-LLVKDONJSA-N 1 0 336.823 2.860 20 10 EFCDRO Cc1cc(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)ccc1N(C)C ZINC000294324047 475067196 /nfs/dbraw/zinc/06/71/96/475067196.db2.gz YDELLOUIHMUSPA-QGZVFWFLSA-N 1 0 331.504 2.746 20 10 EFCDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000286506657 475068142 /nfs/dbraw/zinc/06/81/42/475068142.db2.gz MPBSSQVOGXUXIP-HNNXBMFYSA-N 1 0 330.350 2.680 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CC[C@H](C(N)=O)C2)cc1 ZINC000294517058 475069143 /nfs/dbraw/zinc/06/91/43/475069143.db2.gz DWEJOEAZKVHRJF-HNNXBMFYSA-N 1 0 329.469 2.692 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)cc1 ZINC000294517062 475069961 /nfs/dbraw/zinc/06/99/61/475069961.db2.gz DWEJOEAZKVHRJF-OAHLLOKOSA-N 1 0 329.469 2.692 20 10 EFCDRO Cc1cc(O)c(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)cc1C ZINC000281131667 475082574 /nfs/dbraw/zinc/08/25/74/475082574.db2.gz CXOWWLACSBFUAE-UHFFFAOYSA-N 1 0 344.377 2.900 20 10 EFCDRO CC(=O)c1cc(F)cc(CN2CC[C@@H](OCc3ccncc3)C2)c1O ZINC000281134676 475084902 /nfs/dbraw/zinc/08/49/02/475084902.db2.gz YSDMPMGUICZTSO-QGZVFWFLSA-N 1 0 344.386 2.920 20 10 EFCDRO COC1CCN(c2ccc(C[NH2+][C@@H](C)c3cnn(C)c3)cc2)CC1 ZINC000294893534 475090495 /nfs/dbraw/zinc/09/04/95/475090495.db2.gz DFHSAUGOMDMXDH-HNNXBMFYSA-N 1 0 328.460 2.886 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268961082 475098038 /nfs/dbraw/zinc/09/80/38/475098038.db2.gz XISOEQYIGBDJJJ-SJLPKXTDSA-N 1 0 348.510 2.712 20 10 EFCDRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000295032024 475099133 /nfs/dbraw/zinc/09/91/33/475099133.db2.gz DGMIBUVTQKELTM-QLPKVWCKSA-N 1 0 330.428 2.576 20 10 EFCDRO CN(C)c1ccc(CNCc2ncc(C(F)(F)F)cn2)cc1F ZINC000295138534 475108268 /nfs/dbraw/zinc/10/82/68/475108268.db2.gz ZMHJWOSEIVGWRD-UHFFFAOYSA-N 1 0 328.313 2.990 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CC(=O)N(C)C2)cc1 ZINC000295209475 475113227 /nfs/dbraw/zinc/11/32/27/475113227.db2.gz PXPVIMUOPLOBOT-HNNXBMFYSA-N 1 0 329.469 2.705 20 10 EFCDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295401246 475123804 /nfs/dbraw/zinc/12/38/04/475123804.db2.gz MDKAJOGSFPPOEW-AWEZNQCLSA-N 1 0 331.485 2.999 20 10 EFCDRO C[C@@H]1[C@@H](NC(=O)NCc2ccccc2O)CC[N@@H+]1Cc1ccccc1 ZINC000287452656 475153396 /nfs/dbraw/zinc/15/33/96/475153396.db2.gz IEAOOZRQTUZKCW-QAPCUYQASA-N 1 0 339.439 2.854 20 10 EFCDRO C[C@H]1[C@H](NC(=O)NCc2ccccc2O)CC[N@@H+]1Cc1ccccc1 ZINC000287452655 475153669 /nfs/dbraw/zinc/15/36/69/475153669.db2.gz IEAOOZRQTUZKCW-MAUKXSAKSA-N 1 0 339.439 2.854 20 10 EFCDRO CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287572437 475200285 /nfs/dbraw/zinc/20/02/85/475200285.db2.gz GWQUXZRHCNYWNB-WMLDXEAASA-N 1 0 339.911 2.970 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000348634985 475789694 /nfs/dbraw/zinc/78/96/94/475789694.db2.gz KNCJGQXFWVDABY-CQSZACIVSA-N 1 0 331.485 2.540 20 10 EFCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)CC2 ZINC000297606327 475826570 /nfs/dbraw/zinc/82/65/70/475826570.db2.gz IICRLJJVIGBNMU-WBMJQRKESA-N 1 0 335.350 2.687 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000349702868 475987876 /nfs/dbraw/zinc/98/78/76/475987876.db2.gz NMTZYTDETNGJFO-UKRRQHHQSA-N 1 0 340.471 2.911 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000349973984 476026392 /nfs/dbraw/zinc/02/63/92/476026392.db2.gz ZAEVHHXQOMFRMY-UHFFFAOYSA-N 1 0 340.471 2.938 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000350090415 476044339 /nfs/dbraw/zinc/04/43/39/476044339.db2.gz DQDOWCZHHKHOSB-ZBFHGGJFSA-N 1 0 340.471 2.865 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000350090413 476044725 /nfs/dbraw/zinc/04/47/25/476044725.db2.gz DQDOWCZHHKHOSB-GOEBONIOSA-N 1 0 340.471 2.865 20 10 EFCDRO CC[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)[NH+](C)C ZINC000299102311 476135281 /nfs/dbraw/zinc/13/52/81/476135281.db2.gz WQTLQKTVQRTWEV-OALUTQOASA-N 1 0 347.503 2.600 20 10 EFCDRO COc1cc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)cc(OC)c1 ZINC000299123529 476135782 /nfs/dbraw/zinc/13/57/82/476135782.db2.gz ANGHHZMXEJQIAS-UHFFFAOYSA-N 1 0 331.368 2.770 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)c1O ZINC000359959865 476276476 /nfs/dbraw/zinc/27/64/76/476276476.db2.gz XLQYHEONWWDBCH-CQSZACIVSA-N 1 0 333.819 2.800 20 10 EFCDRO Cn1cc(-c2ccccc2C[NH2+]Cc2cc3c(cc2O)OCO3)cn1 ZINC000372864720 476357850 /nfs/dbraw/zinc/35/78/50/476357850.db2.gz YFNXUDAHZCOVNF-UHFFFAOYSA-N 1 0 337.379 2.811 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@]2(CO)CCOc3ccccc32)cc1F ZINC000374150303 476456980 /nfs/dbraw/zinc/45/69/80/476456980.db2.gz XJSYRPGTHBOLLV-LJQANCHMSA-N 1 0 330.403 2.652 20 10 EFCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1C ZINC000374257938 476463791 /nfs/dbraw/zinc/46/37/91/476463791.db2.gz SOSXMBSKXXGZSV-HKUYNNGSSA-N 1 0 329.444 2.831 20 10 EFCDRO NC(=O)[C@H]1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000377615050 476474397 /nfs/dbraw/zinc/47/43/97/476474397.db2.gz KQYYZWIHFUAUTL-IBGZPJMESA-N 1 0 335.451 2.557 20 10 EFCDRO CC[C@]1(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC[NH2+]C1 ZINC000374412379 476478908 /nfs/dbraw/zinc/47/89/08/476478908.db2.gz RZRZPQKNJVEBKF-FQEVSTJZSA-N 1 0 329.488 2.929 20 10 EFCDRO Oc1ccc2c(c1)OCCN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC000377626183 476484139 /nfs/dbraw/zinc/48/41/39/476484139.db2.gz LVCXIKFEJVWARN-UHFFFAOYSA-N 1 0 340.423 2.623 20 10 EFCDRO Cc1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(C)n1-c1ccccn1 ZINC000374605491 476492010 /nfs/dbraw/zinc/49/20/10/476492010.db2.gz PHTKJYRTWOTOCI-SZMVWBNQSA-N 1 0 338.455 2.689 20 10 EFCDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)c1O ZINC000377720497 476545216 /nfs/dbraw/zinc/54/52/16/476545216.db2.gz LTYRYFUWTJWCBS-IAGOWNOFSA-N 1 0 348.443 2.570 20 10 EFCDRO CCOc1ccc(O)c(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000374909228 476588390 /nfs/dbraw/zinc/58/83/90/476588390.db2.gz JHNRTAXKOICVLL-HNNXBMFYSA-N 1 0 335.444 2.808 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377812066 476593250 /nfs/dbraw/zinc/59/32/50/476593250.db2.gz SFVJXAFARGTHDU-RBUKOAKNSA-N 1 0 327.472 2.539 20 10 EFCDRO NC(=O)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000377852726 476613987 /nfs/dbraw/zinc/61/39/87/476613987.db2.gz SVXORPPCVGWEAK-IBGZPJMESA-N 1 0 349.478 2.947 20 10 EFCDRO NC(=O)C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000377852989 476614211 /nfs/dbraw/zinc/61/42/11/476614211.db2.gz WBGVSXXVLBZLRW-INIZCTEOSA-N 1 0 340.423 2.669 20 10 EFCDRO C[NH+](C)C[C@@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2ccccc2O1 ZINC000370503542 476842847 /nfs/dbraw/zinc/84/28/47/476842847.db2.gz UVFYPKJRISRAFY-KXPUMZMLSA-N 1 0 341.386 2.590 20 10 EFCDRO COc1c([O-])c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000376000735 477125109 /nfs/dbraw/zinc/12/51/09/477125109.db2.gz QWDZOEKBXUTQPA-UHFFFAOYSA-N 1 0 349.431 2.617 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCCC23CC[NH+](C)CC3)cc1F ZINC000371412066 477302508 /nfs/dbraw/zinc/30/25/08/477302508.db2.gz DLJQIDQFFAUYMI-UHFFFAOYSA-N 1 0 348.466 2.662 20 10 EFCDRO Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c(O)c1O ZINC000371575111 477393834 /nfs/dbraw/zinc/39/38/34/477393834.db2.gz ZAUPNFPDLSJIRF-INIZCTEOSA-N 1 0 340.423 2.753 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000418096372 477465871 /nfs/dbraw/zinc/46/58/71/477465871.db2.gz IMQIHVOSJJVNKP-HNNXBMFYSA-N 1 0 328.460 2.770 20 10 EFCDRO C[NH2+]C[C@H]1CCCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000418102493 477466151 /nfs/dbraw/zinc/46/61/51/477466151.db2.gz UOVJZJNXVAEVHR-OAHLLOKOSA-N 1 0 328.460 2.628 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c1 ZINC000371834255 477517815 /nfs/dbraw/zinc/51/78/15/477517815.db2.gz IJQBEXLMWOCDKV-BMGDILEWSA-N 1 0 334.460 2.695 20 10 EFCDRO C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1cc2c(cc1O)CCCC2 ZINC000368324743 477797811 /nfs/dbraw/zinc/79/78/11/477797811.db2.gz UDSGKOIAHRKDNX-WBAXXEDZSA-N 1 0 330.472 2.785 20 10 EFCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H]1COCCN1 ZINC000530222561 477879218 /nfs/dbraw/zinc/87/92/18/477879218.db2.gz GFYCFYBJJJOLLN-MJGOQNOKSA-N 1 0 326.440 2.644 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000471671242 478007385 /nfs/dbraw/zinc/00/73/85/478007385.db2.gz MEEJHRCGYQRGOH-HZPDHXFCSA-N 1 0 340.471 2.913 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000472245881 478013903 /nfs/dbraw/zinc/01/39/03/478013903.db2.gz XLENXRGMPGRJQL-UHFFFAOYSA-N 1 0 342.487 2.970 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000472280757 478014523 /nfs/dbraw/zinc/01/45/23/478014523.db2.gz AZWIFSFZWBZPEH-LJQANCHMSA-N 1 0 342.487 2.968 20 10 EFCDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1c(C)c2ccccc2n1C ZINC000521567299 478376741 /nfs/dbraw/zinc/37/67/41/478376741.db2.gz YDOUNDQOJJJYRQ-OAHLLOKOSA-N 1 0 328.460 2.722 20 10 EFCDRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1c(C)c2ccccc2n1C ZINC000521567292 478377094 /nfs/dbraw/zinc/37/70/94/478377094.db2.gz YDOUNDQOJJJYRQ-HNNXBMFYSA-N 1 0 328.460 2.722 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@]2(COC)COc3ccccc3C2)c1 ZINC000527799187 478524039 /nfs/dbraw/zinc/52/40/39/478524039.db2.gz JKKFNXNCZFPMGV-HXUWFJFHSA-N 1 0 343.423 2.901 20 10 EFCDRO COc1cncc(/C=C/C(=O)N(CC[NH+](C)C)c2ccccc2)c1 ZINC000492402871 478969047 /nfs/dbraw/zinc/96/90/47/478969047.db2.gz BMLCGLQFQQQYBW-MDZDMXLPSA-N 1 0 325.412 2.698 20 10 EFCDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 ZINC000568149271 479120796 /nfs/dbraw/zinc/12/07/96/479120796.db2.gz HJCTZPLVNCNOAA-INIZCTEOSA-N 1 0 343.471 2.586 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)ccc21 ZINC000574049613 479205664 /nfs/dbraw/zinc/20/56/64/479205664.db2.gz JVOLYWKUOWMYSQ-SUMWQHHRSA-N 1 0 343.471 2.775 20 10 EFCDRO C[C@]1(CO)C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@@]1(C)CO ZINC000529668910 479242327 /nfs/dbraw/zinc/24/23/27/479242327.db2.gz QAYLMOSWOYCHKR-OYRHEFFESA-N 1 0 341.451 2.872 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC[C@@H]3CC[NH2+]C3)ccc21 ZINC000574215591 479242389 /nfs/dbraw/zinc/24/23/89/479242389.db2.gz OPRMQZBIWCSKJG-INIZCTEOSA-N 1 0 343.471 2.634 20 10 EFCDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000578878212 479625076 /nfs/dbraw/zinc/62/50/76/479625076.db2.gz VIBLVNNOWLUHID-KRWDZBQOSA-N 1 0 343.471 2.729 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000579215995 479674825 /nfs/dbraw/zinc/67/48/25/479674825.db2.gz YJOKSRKTPRIYLG-HRCADAONSA-N 1 0 340.471 2.674 20 10 EFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C)C[C@@H](C)[NH3+])CCCC1 ZINC000653166807 481121990 /nfs/dbraw/zinc/12/19/90/481121990.db2.gz WZZAANJHHQJXER-KGLIPLIRSA-N 1 0 343.471 2.771 20 10 EFCDRO C[C@@H]1CN(C(=O)c2cccc3c2CC[NH2+]C3)c2ccc(F)cc2O1 ZINC000662630706 481906549 /nfs/dbraw/zinc/90/65/49/481906549.db2.gz HSCMMTCDGLMMEW-GFCCVEGCSA-N 1 0 326.371 2.899 20 10 EFCDRO C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(N(C)C)cc1 ZINC000154412293 533893236 /nfs/dbraw/zinc/89/32/36/533893236.db2.gz MQYOUAXXXHZPKE-LPHOPBHVSA-N 1 0 349.544 2.611 20 10 EFCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cnn(C)c1 ZINC000163944268 533976142 /nfs/dbraw/zinc/97/61/42/533976142.db2.gz JQRKEGUUPPKJIC-KBPBESRZSA-N 1 0 332.423 2.808 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000182412971 534205635 /nfs/dbraw/zinc/20/56/35/534205635.db2.gz PUSYPUWEXZZRHD-LRDDRELGSA-N 1 0 344.386 2.996 20 10 EFCDRO CC[C@H]([NH2+][C@@H]1CCCCNC1=O)c1cc(Br)ccc1O ZINC000036977301 522711026 /nfs/dbraw/zinc/71/10/26/522711026.db2.gz SEIXQVHPPBRQNL-QWHCGFSZSA-N 1 0 341.249 2.864 20 10 EFCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]2CCCO[C@@H]21 ZINC000174536675 527871401 /nfs/dbraw/zinc/87/14/01/527871401.db2.gz LVDHBVYPPHDOJX-IPELMVKDSA-N 1 0 348.462 2.956 20 10 EFCDRO CC(C)C[NH+]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000172631264 527996685 /nfs/dbraw/zinc/99/66/85/527996685.db2.gz KQCBAKDJIXTPNO-UHFFFAOYSA-N 1 0 342.487 2.546 20 10 EFCDRO CCC[NH+]1CCC(N(C)C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000170715925 528190197 /nfs/dbraw/zinc/19/01/97/528190197.db2.gz ZDQFMUCJLWVIHU-UHFFFAOYSA-N 1 0 332.492 2.768 20 10 EFCDRO CC(C)[N@H+](CC(=O)NCc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000298737618 535036713 /nfs/dbraw/zinc/03/67/13/535036713.db2.gz VUDSIRXVSMFREU-UHFFFAOYSA-N 1 0 329.444 2.872 20 10 EFCDRO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000296014963 535045735 /nfs/dbraw/zinc/04/57/35/535045735.db2.gz PCMNJUSGVPOSGB-IBGZPJMESA-N 1 0 328.460 2.534 20 10 EFCDRO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273398433 535068209 /nfs/dbraw/zinc/06/82/09/535068209.db2.gz MOWJVIHLTYUJQA-MRXNPFEDSA-N 1 0 347.503 2.650 20 10 EFCDRO CC(C)N1C[C@H]([NH2+][C@H](C)c2ccc(Br)cc2O)CC1=O ZINC000273449278 535265926 /nfs/dbraw/zinc/26/59/26/535265926.db2.gz FRRYZDBNNNLPQU-ZYHUDNBSSA-N 1 0 341.249 2.815 20 10 EFCDRO CCC[C@@H]([NH3+])C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000237004243 535347264 /nfs/dbraw/zinc/34/72/64/535347264.db2.gz FIRXUXNVVQOQBU-SWLSCSKDSA-N 1 0 341.402 2.500 20 10 EFCDRO CCOc1cccc(C[NH2+]CC(=O)N2CCCc3ccccc32)c1O ZINC000236893235 535456990 /nfs/dbraw/zinc/45/69/90/535456990.db2.gz KBONWWKPGKURNL-UHFFFAOYSA-N 1 0 340.423 2.860 20 10 EFCDRO CCOc1cccc(C[NH2+]CC2(N3CCOCC3)CCCCC2)c1O ZINC000236893648 535459161 /nfs/dbraw/zinc/45/91/61/535459161.db2.gz LIZXHZOINQPNIN-UHFFFAOYSA-N 1 0 348.487 2.916 20 10 EFCDRO CCOC1CC(C[NH2+][C@@H](C)c2cc(C)ccc2O)(N2CCOCC2)C1 ZINC000193407712 535757669 /nfs/dbraw/zinc/75/76/69/535757669.db2.gz IMLQDEPXNIQZSX-VXESANQCSA-N 1 0 348.487 2.621 20 10 EFCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000295942005 536322100 /nfs/dbraw/zinc/32/21/00/536322100.db2.gz KWGXHSGJWIIGOF-WBMJQRKESA-N 1 0 346.452 2.638 20 10 EFCDRO COC(=O)C[C@](C)([NH2+]Cc1ccc(N(C)C)cc1)c1ccncc1 ZINC000191905669 536360842 /nfs/dbraw/zinc/36/08/42/536360842.db2.gz FONPNQRSWHJRSM-IBGZPJMESA-N 1 0 327.428 2.716 20 10 EFCDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(N)cc1 ZINC000237233302 536433680 /nfs/dbraw/zinc/43/36/80/536433680.db2.gz SQBSBGKTWUWILL-IBGZPJMESA-N 1 0 337.467 2.792 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@](C)(C[NH3+])C3)c2C)cc1 ZINC000262177057 536550645 /nfs/dbraw/zinc/55/06/45/536550645.db2.gz YWHZKTCJYPSCLW-HXUWFJFHSA-N 1 0 341.455 2.914 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H]3C[NH3+])c2C)cc1 ZINC000237505534 536550663 /nfs/dbraw/zinc/55/06/63/536550663.db2.gz HKHULCKTRVKHSP-INIZCTEOSA-N 1 0 327.428 2.666 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H](C[NH3+])C3)c2C)cc1 ZINC000237505055 536551120 /nfs/dbraw/zinc/55/11/20/536551120.db2.gz IODQTHSZIFHSNL-INIZCTEOSA-N 1 0 341.455 2.914 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCCN(C(C)=O)C3)CC2)cc1 ZINC000366826759 536669832 /nfs/dbraw/zinc/66/98/32/536669832.db2.gz MCZUUAZMYOHOHI-KRWDZBQOSA-N 1 0 345.487 2.512 20 10 EFCDRO COc1ccc(N2CCC[N@H+](C[C@](C)(O)C(F)(F)F)CC2)cc1 ZINC000366824022 536672179 /nfs/dbraw/zinc/67/21/79/536672179.db2.gz MZSJJBCGWNIVEE-HNNXBMFYSA-N 1 0 332.366 2.521 20 10 EFCDRO COC1CCN(c2ccc(C[NH2+][C@@H](C)Cn3cccn3)cc2)CC1 ZINC000297657477 536757812 /nfs/dbraw/zinc/75/78/12/536757812.db2.gz YXJFFISMNGHKHF-INIZCTEOSA-N 1 0 328.460 2.677 20 10 EFCDRO CO[C@H]1COC[C@@H]1[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295592111 536770745 /nfs/dbraw/zinc/77/07/45/536770745.db2.gz CDDNNODKVYAPJR-ROUUACIJSA-N 1 0 332.469 2.888 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1OC ZINC000367700357 536856060 /nfs/dbraw/zinc/85/60/60/536856060.db2.gz SQABPRBGPBJAOY-LJQANCHMSA-N 1 0 347.386 2.642 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)cc1OC ZINC000271792846 536857338 /nfs/dbraw/zinc/85/73/38/536857338.db2.gz HGDREZATUJMDPW-ZMZPIMSZSA-N 1 0 335.375 2.760 20 10 EFCDRO Cc1cc(C[NH2+]C[C@@H](C)S(C)(=O)=O)c(C)n1-c1cccc(C)c1 ZINC000754081651 575386813 /nfs/dbraw/zinc/38/68/13/575386813.db2.gz JKXGGXPUSDEKOL-OAHLLOKOSA-N 1 0 334.485 2.925 20 10 EFCDRO CO[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]1OC ZINC000754153842 575398873 /nfs/dbraw/zinc/39/88/73/575398873.db2.gz JRIHJTZDFQHSGG-BGYRXZFFSA-N 1 0 343.423 2.817 20 10 EFCDRO COc1ccc(N2CC[NH+](CCN(C)c3ccccc3)CC2)cc1 ZINC000754643402 575465006 /nfs/dbraw/zinc/46/50/06/575465006.db2.gz VOPVZHGCSYRIGZ-UHFFFAOYSA-N 1 0 325.456 2.954 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000754727097 575478354 /nfs/dbraw/zinc/47/83/54/575478354.db2.gz ODMFJKBPGQSICI-AWEZNQCLSA-N 1 0 336.432 2.808 20 10 EFCDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000755223948 575562581 /nfs/dbraw/zinc/56/25/81/575562581.db2.gz VTOADDYPTRDYSP-LBPRGKRZSA-N 1 0 325.428 2.895 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000756360057 575722910 /nfs/dbraw/zinc/72/29/10/575722910.db2.gz FOAHJYMGXPSJFE-AWEZNQCLSA-N 1 0 345.443 2.606 20 10 EFCDRO COCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000756378405 575726446 /nfs/dbraw/zinc/72/64/46/575726446.db2.gz CWMVBALVXSWYOS-CYBMUJFWSA-N 1 0 344.411 2.837 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1cc(Cl)ccc1O ZINC000756429779 575737818 /nfs/dbraw/zinc/73/78/18/575737818.db2.gz FBPCMNMXAACYAS-LLVKDONJSA-N 1 0 329.791 2.872 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000756435127 575738510 /nfs/dbraw/zinc/73/85/10/575738510.db2.gz WJQIHTPIRYQYBF-CABCVRRESA-N 1 0 334.460 2.951 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COc2cccc(F)c2)c1 ZINC000756462102 575742982 /nfs/dbraw/zinc/74/29/82/575742982.db2.gz YXMLHFDQKSEODT-JSGCOSHPSA-N 1 0 335.375 2.630 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc(Br)cc1O ZINC000756510563 575751988 /nfs/dbraw/zinc/75/19/88/575751988.db2.gz KHOWBGRXXCJUFI-MFKMUULPSA-N 1 0 344.249 2.593 20 10 EFCDRO C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(Br)cc1O ZINC000756531611 575756083 /nfs/dbraw/zinc/75/60/83/575756083.db2.gz AJNMZGKIRZUSHE-VXGBXAGGSA-N 1 0 343.265 2.526 20 10 EFCDRO C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(Br)cc1O ZINC000756531608 575756206 /nfs/dbraw/zinc/75/62/06/575756206.db2.gz AJNMZGKIRZUSHE-NWDGAFQWSA-N 1 0 343.265 2.526 20 10 EFCDRO CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756535860 575756581 /nfs/dbraw/zinc/75/65/81/575756581.db2.gz RXTYBHPAACSUHG-UONOGXRCSA-N 1 0 341.446 2.595 20 10 EFCDRO CCc1nncn1CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000756620888 575768866 /nfs/dbraw/zinc/76/88/66/575768866.db2.gz OESDYEDMKVVPFQ-JTQLQIEISA-N 1 0 339.237 2.659 20 10 EFCDRO C[C@@H]([NH2+]CCNc1cnccn1)c1cc(Br)ccc1O ZINC000756645655 575772241 /nfs/dbraw/zinc/77/22/41/575772241.db2.gz HVMSSWFPYASLDA-SNVBAGLBSA-N 1 0 337.221 2.707 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c1 ZINC000756741123 575783176 /nfs/dbraw/zinc/78/31/76/575783176.db2.gz CZGPAWWAKHCTDK-LBPRGKRZSA-N 1 0 347.436 2.581 20 10 EFCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1ccc(Br)cc1O ZINC000756756972 575784289 /nfs/dbraw/zinc/78/42/89/575784289.db2.gz BDLQHRRAMSGUNN-PGUXBMHVSA-N 1 0 343.265 2.524 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c(O)c1 ZINC000756756227 575784443 /nfs/dbraw/zinc/78/44/43/575784443.db2.gz GJIVWRJMLUMQPC-ZDUSSCGKSA-N 1 0 331.437 2.881 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c(O)c1C ZINC000756839043 575790805 /nfs/dbraw/zinc/79/08/05/575790805.db2.gz PTSGWRMMULNUNB-IFIJOSMWSA-N 1 0 342.443 2.587 20 10 EFCDRO C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1cc(Br)ccc1O ZINC000757656621 575847784 /nfs/dbraw/zinc/84/77/84/575847784.db2.gz BSTQHYLWELWQQX-IINYFYTJSA-N 1 0 344.249 2.593 20 10 EFCDRO C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1cc(Br)ccc1O ZINC000757656617 575847841 /nfs/dbraw/zinc/84/78/41/575847841.db2.gz BSTQHYLWELWQQX-HZMBPMFUSA-N 1 0 344.249 2.593 20 10 EFCDRO O=S1(=O)CCc2cc(C[NH2+]Cc3cc(Cl)ccc3O)ccc21 ZINC000757692854 575850086 /nfs/dbraw/zinc/85/00/86/575850086.db2.gz IWKQRSRYRXLEDE-UHFFFAOYSA-N 1 0 337.828 2.665 20 10 EFCDRO COC1(C[NH2+]Cc2ccc(N3CCSCC3)cc2)CCOCC1 ZINC000758302926 575866040 /nfs/dbraw/zinc/86/60/40/575866040.db2.gz OPLQBPBJHZGRCF-UHFFFAOYSA-N 1 0 336.501 2.525 20 10 EFCDRO Oc1cccc2c1C[C@@H]([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000758561667 575872798 /nfs/dbraw/zinc/87/27/98/575872798.db2.gz QBQDONRYMQVYDA-INIZCTEOSA-N 1 0 342.414 2.625 20 10 EFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000758693542 575875675 /nfs/dbraw/zinc/87/56/75/575875675.db2.gz DWUYIWWTLUPTRB-GOSISDBHSA-N 1 0 344.503 2.960 20 10 EFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000758851763 575878741 /nfs/dbraw/zinc/87/87/41/575878741.db2.gz IYWUYBFMBQJYRL-KBPBESRZSA-N 1 0 335.448 2.635 20 10 EFCDRO CC[NH+]1CCC(CNC(=O)NCCCSc2nccs2)CC1 ZINC000759572864 575903148 /nfs/dbraw/zinc/90/31/48/575903148.db2.gz JGKAYKYDHGFZBR-UHFFFAOYSA-N 1 0 342.534 2.656 20 10 EFCDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000759591163 575905431 /nfs/dbraw/zinc/90/54/31/575905431.db2.gz WYCKRWFJRUTWJV-CYBMUJFWSA-N 1 0 342.534 2.797 20 10 EFCDRO CCC1(CC)[C@H]([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1OC ZINC000759601522 575907500 /nfs/dbraw/zinc/90/75/00/575907500.db2.gz NWKBJMAFDPRGJP-MSOLQXFVSA-N 1 0 347.503 2.552 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1 ZINC000759643013 575914683 /nfs/dbraw/zinc/91/46/83/575914683.db2.gz KIRLXNWQKYFALV-QFBILLFUSA-N 1 0 347.503 2.648 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc3ccc(OC)nc3[nH]2)c1 ZINC000760866889 576082689 /nfs/dbraw/zinc/08/26/89/576082689.db2.gz BDXVXUGZXJFWNK-JTQLQIEISA-N 1 0 328.372 2.532 20 10 EFCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000760883197 576084653 /nfs/dbraw/zinc/08/46/53/576084653.db2.gz AQHVHHFGHBQUKD-VZJVUDMVSA-N 1 0 344.249 2.999 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](CO)Cc2ccco2)c1O ZINC000761215342 576130792 /nfs/dbraw/zinc/13/07/92/576130792.db2.gz KOMQFGZZLHLXRU-NSHDSACASA-N 1 0 325.792 2.588 20 10 EFCDRO COc1cc(Br)cc(C[N@H+](C)CC2(O)CCC2)c1O ZINC000761218529 576131550 /nfs/dbraw/zinc/13/15/50/576131550.db2.gz GDFACUROIGIMJV-UHFFFAOYSA-N 1 0 330.222 2.510 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)c1O ZINC000761226321 576132749 /nfs/dbraw/zinc/13/27/49/576132749.db2.gz OOZOJWBYYZIHAB-UHFFFAOYSA-N 1 0 332.444 2.624 20 10 EFCDRO C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762789409 576331461 /nfs/dbraw/zinc/33/14/61/576331461.db2.gz UVGGYPFJCMFFMD-BEFAXECRSA-N 1 0 335.467 2.533 20 10 EFCDRO Cc1nccn1CCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000762916580 576346590 /nfs/dbraw/zinc/34/65/90/576346590.db2.gz HSVWBUXRPYECEZ-UHFFFAOYSA-N 1 0 328.460 2.550 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1F ZINC000764842435 576510746 /nfs/dbraw/zinc/51/07/46/576510746.db2.gz UKJNVYNPIINMAA-INIZCTEOSA-N 1 0 348.466 2.708 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccoc1 ZINC000765252894 577023258 /nfs/dbraw/zinc/02/32/58/577023258.db2.gz JWBPNUJHADBPSR-HOCLYGCPSA-N 1 0 327.428 2.832 20 10 EFCDRO CCCC[C@H](COC)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765254432 577023518 /nfs/dbraw/zinc/02/35/18/577023518.db2.gz MQJDWEQSOHHSHY-QZTJIDSGSA-N 1 0 347.503 2.683 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccco1 ZINC000765254559 577023620 /nfs/dbraw/zinc/02/36/20/577023620.db2.gz NMVRLGAOIZCDTK-GDBMZVCRSA-N 1 0 327.428 2.832 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000765287997 577027769 /nfs/dbraw/zinc/02/77/69/577027769.db2.gz ITKVLLYLMVOFHM-RDTXWAMCSA-N 1 0 332.419 2.982 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765435697 577042004 /nfs/dbraw/zinc/04/20/04/577042004.db2.gz ASAMHRXLKSFEHO-LSDHHAIUSA-N 1 0 344.434 2.734 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H](C)Cc3cnccn3)CC2)cc1 ZINC000765444201 577043018 /nfs/dbraw/zinc/04/30/18/577043018.db2.gz XGHFAGQBRXTCEJ-OAHLLOKOSA-N 1 0 326.444 2.675 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765781180 577076240 /nfs/dbraw/zinc/07/62/40/577076240.db2.gz OBJWXSGJWFTIEF-GDBMZVCRSA-N 1 0 333.451 2.550 20 10 EFCDRO C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765937479 577090056 /nfs/dbraw/zinc/09/00/56/577090056.db2.gz VPRJWBWHNLNXDY-UGSOOPFHSA-N 1 0 338.879 2.988 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766166781 577115622 /nfs/dbraw/zinc/11/56/22/577115622.db2.gz SOOHTKKBLFUROU-YQQAZPJKSA-N 1 0 335.467 2.796 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000766225462 577123946 /nfs/dbraw/zinc/12/39/46/577123946.db2.gz QNGZVOJQNHDNEN-FQEVSTJZSA-N 1 0 329.488 2.630 20 10 EFCDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000766376187 577141830 /nfs/dbraw/zinc/14/18/30/577141830.db2.gz SCVJFUZZWFJODF-ZDUSSCGKSA-N 1 0 342.399 2.950 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766587470 577169259 /nfs/dbraw/zinc/16/92/59/577169259.db2.gz ZOVLJKSRZXNWIU-ZRGWGRIASA-N 1 0 347.478 2.796 20 10 EFCDRO CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000725848926 577248821 /nfs/dbraw/zinc/24/88/21/577248821.db2.gz CVZKOGKKYUSVFY-NSHDSACASA-N 1 0 327.812 2.774 20 10 EFCDRO COc1cccc(O)c1C[NH2+]CC(=O)Nc1cccc2cccnc21 ZINC000725851074 577250448 /nfs/dbraw/zinc/25/04/48/577250448.db2.gz NBUGTVOYYSSLGR-UHFFFAOYSA-N 1 0 337.379 2.677 20 10 EFCDRO CC[N@H+](CC(=O)Nc1c(-c2ccccn2)nc2ccccn21)C1CC1 ZINC000768134699 577256627 /nfs/dbraw/zinc/25/66/27/577256627.db2.gz MMUTUVPHQOVDGO-UHFFFAOYSA-N 1 0 335.411 2.819 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000768193331 577260339 /nfs/dbraw/zinc/26/03/39/577260339.db2.gz KUQSHKDDMJOWDU-UHFFFAOYSA-N 1 0 342.439 2.597 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)cc1F ZINC000768193266 577260372 /nfs/dbraw/zinc/26/03/72/577260372.db2.gz ZOBINGIDDMFYNX-GOSISDBHSA-N 1 0 349.494 2.969 20 10 EFCDRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(cc1O)OCO2 ZINC000768197277 577260532 /nfs/dbraw/zinc/26/05/32/577260532.db2.gz JELRMQKKSDLVRQ-UHFFFAOYSA-N 1 0 329.352 2.872 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c(O)c1 ZINC000768347942 577267728 /nfs/dbraw/zinc/26/77/28/577267728.db2.gz YLLUXJRLHGJIQT-INIZCTEOSA-N 1 0 332.444 2.529 20 10 EFCDRO CNC(=O)c1ccc(C[N@H+](Cc2cccc(OC)c2O)C2CC2)cc1 ZINC000768420619 577272626 /nfs/dbraw/zinc/27/26/26/577272626.db2.gz DJKQMAWVUBQGME-UHFFFAOYSA-N 1 0 340.423 2.925 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)Cc2ccc3c(c2)OCCO3)cc1OC ZINC000768437580 577273523 /nfs/dbraw/zinc/27/35/23/577273523.db2.gz AHTARDFDBMUOFW-UHFFFAOYSA-N 1 0 345.395 2.813 20 10 EFCDRO C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C[C@@H]1OCCc2ccccc21 ZINC000768444667 577273982 /nfs/dbraw/zinc/27/39/82/577273982.db2.gz NGCDLVRVHPRSRC-QUCCMNQESA-N 1 0 341.407 2.564 20 10 EFCDRO COc1ccc2c(c1)CCC[N@@H+](Cc1cc3c(cc1O)OC[C@@H]3O)C2 ZINC000768449404 577274801 /nfs/dbraw/zinc/27/48/01/577274801.db2.gz GTFLKONEWREGPM-IBGZPJMESA-N 1 0 341.407 2.775 20 10 EFCDRO Oc1cc2c(cc1C[N@H+](CCC(F)(F)F)CC1CC1)[C@H](O)CO2 ZINC000768463430 577276008 /nfs/dbraw/zinc/27/60/08/577276008.db2.gz IODUXERYPQNNRC-CQSZACIVSA-N 1 0 331.334 2.982 20 10 EFCDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000768913540 577315937 /nfs/dbraw/zinc/31/59/37/577315937.db2.gz LCMLMIUUZIYHGG-FMKPAKJESA-N 1 0 332.444 2.958 20 10 EFCDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000768946814 577319166 /nfs/dbraw/zinc/31/91/66/577319166.db2.gz VTOADDYPTRDYSP-GFCCVEGCSA-N 1 0 325.428 2.895 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCCN(c3nccs3)CC2)c(O)c1 ZINC000769105775 577334749 /nfs/dbraw/zinc/33/47/49/577334749.db2.gz JRIBEGXHSLYIED-UHFFFAOYSA-N 1 0 333.457 2.960 20 10 EFCDRO CC(C)(C)[N@@H+]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000769184614 577342501 /nfs/dbraw/zinc/34/25/01/577342501.db2.gz BARPXRISSKIVRN-UHFFFAOYSA-N 1 0 349.494 2.969 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c(O)c1 ZINC000769189592 577343062 /nfs/dbraw/zinc/34/30/62/577343062.db2.gz NDBXIKGUWLGQPU-SFHVURJKSA-N 1 0 335.444 2.951 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH+](CC(C)(C)O)CC2)cc1F ZINC000769301043 577350509 /nfs/dbraw/zinc/35/05/09/577350509.db2.gz GGPXZXWJIBEMIN-UHFFFAOYSA-N 1 0 337.483 2.560 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c(O)c1 ZINC000769336980 577353112 /nfs/dbraw/zinc/35/31/12/577353112.db2.gz AQUJOFYTQXAICJ-OAHLLOKOSA-N 1 0 342.443 2.708 20 10 EFCDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)c1 ZINC000769423512 577361568 /nfs/dbraw/zinc/36/15/68/577361568.db2.gz LSGAVASRXVFETR-UHFFFAOYSA-N 1 0 338.367 2.954 20 10 EFCDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC000769467819 577364799 /nfs/dbraw/zinc/36/47/99/577364799.db2.gz ZKYKMBSOYZPHSJ-HOTGVXAUSA-N 1 0 335.467 2.577 20 10 EFCDRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1ccccc1O ZINC000769492887 577367054 /nfs/dbraw/zinc/36/70/54/577367054.db2.gz CJWWZSYBUDBPEN-CQSZACIVSA-N 1 0 328.412 2.828 20 10 EFCDRO Fc1cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)ccc1N1CCOCC1 ZINC000769519317 577369771 /nfs/dbraw/zinc/36/97/71/577369771.db2.gz QLMSYYQLUMXIEL-SFHVURJKSA-N 1 0 348.462 2.911 20 10 EFCDRO COc1ccc(N2CCC(NC(=O)[C@@H](C)OCC(C)C)CC2)cc1 ZINC000726562717 577374096 /nfs/dbraw/zinc/37/40/96/577374096.db2.gz OWRROKGWKNTQLR-OAHLLOKOSA-N 1 0 334.460 2.841 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@H](C)C2)c1O ZINC000769710109 577380109 /nfs/dbraw/zinc/38/01/09/577380109.db2.gz NAKNHFBUXHCCIC-BXKDBHETSA-N 1 0 330.222 2.820 20 10 EFCDRO C[C@H]([NH2+]CCO[C@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000769787195 577385010 /nfs/dbraw/zinc/38/50/10/577385010.db2.gz PRHXDVOEXKUWDA-LPHOPBHVSA-N 1 0 334.460 2.717 20 10 EFCDRO Oc1cc2c(cc1C[NH2+]C1(c3ccc4c(c3)OCO4)CC1)OCO2 ZINC000769933656 577394100 /nfs/dbraw/zinc/39/41/00/577394100.db2.gz GUHNVDGAWGPMGA-UHFFFAOYSA-N 1 0 327.336 2.629 20 10 EFCDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(N(CC)CC)c(F)c2)C1 ZINC000769939665 577394598 /nfs/dbraw/zinc/39/45/98/577394598.db2.gz QGHKLDSSCKPLJH-HNNXBMFYSA-N 1 0 337.439 2.992 20 10 EFCDRO CCC[C@H]1CN(Cc2c(O)cccc2Cl)CC[N@@H+]1CCOC ZINC000770284475 577409809 /nfs/dbraw/zinc/40/98/09/577409809.db2.gz RLVUDTKUNDPXLD-AWEZNQCLSA-N 1 0 326.868 2.978 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000770381926 577414131 /nfs/dbraw/zinc/41/41/31/577414131.db2.gz SXYBDOIBQMKWSK-CYBMUJFWSA-N 1 0 328.416 2.776 20 10 EFCDRO CCOC(=O)C1(C[NH2+]Cc2cc(Br)cc(C)c2O)CC1 ZINC000770666362 581123096 /nfs/dbraw/zinc/12/30/96/581123096.db2.gz ZSZRVCYBOAPZBA-UHFFFAOYSA-N 1 0 342.233 2.896 20 10 EFCDRO COC(=O)C[C@]1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCCOC1 ZINC000770673005 581124291 /nfs/dbraw/zinc/12/42/91/581124291.db2.gz DUVUCKPRFDATLG-HXUWFJFHSA-N 1 0 346.471 2.879 20 10 EFCDRO CC[C@@H](OC)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771053675 581169217 /nfs/dbraw/zinc/16/92/17/581169217.db2.gz PPCKZHAYFIRINW-GDBMZVCRSA-N 1 0 340.851 2.551 20 10 EFCDRO Cc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c(C)n1-c1ccccn1 ZINC000771398208 581207566 /nfs/dbraw/zinc/20/75/66/581207566.db2.gz SIWVMFKNKSQATG-HUUCEWRRSA-N 1 0 326.444 2.654 20 10 EFCDRO C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC12CCC2 ZINC000771465377 581214782 /nfs/dbraw/zinc/21/47/82/581214782.db2.gz UXGMBGOEPXVQIC-INIZCTEOSA-N 1 0 329.488 2.881 20 10 EFCDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000771627714 581228361 /nfs/dbraw/zinc/22/83/61/581228361.db2.gz QAHVZZCDRRBXAB-CYBMUJFWSA-N 1 0 335.400 2.532 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@]2(C)CCCOC2)c1O ZINC000771891496 581255354 /nfs/dbraw/zinc/25/53/54/581255354.db2.gz GLPDETRIMWFASP-CQSZACIVSA-N 1 0 330.222 2.822 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@@]2(C)CCCOC2)c1O ZINC000771891492 581255448 /nfs/dbraw/zinc/25/54/48/581255448.db2.gz GLPDETRIMWFASP-AWEZNQCLSA-N 1 0 330.222 2.822 20 10 EFCDRO C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000773107565 581396892 /nfs/dbraw/zinc/39/68/92/581396892.db2.gz XPZBJEISVVCLFI-UKRRQHHQSA-N 1 0 338.879 2.988 20 10 EFCDRO C[C@H]([NH2+][C@@H](CO)CC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000773107562 581397014 /nfs/dbraw/zinc/39/70/14/581397014.db2.gz XPZBJEISVVCLFI-DZGCQCFKSA-N 1 0 338.879 2.988 20 10 EFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773293839 581414975 /nfs/dbraw/zinc/41/49/75/581414975.db2.gz AFAIBQCAXZTEGO-YJBOKZPZSA-N 1 0 332.492 2.987 20 10 EFCDRO C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773365832 581423524 /nfs/dbraw/zinc/42/35/24/581423524.db2.gz ZYMJUCAYKMPDRC-LSDHHAIUSA-N 1 0 330.476 2.597 20 10 EFCDRO C[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C[NH+]1CCCC1 ZINC000773368118 581423705 /nfs/dbraw/zinc/42/37/05/581423705.db2.gz OSWLECFZEGUFNN-HZPDHXFCSA-N 1 0 332.492 2.845 20 10 EFCDRO C[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C[NH+]1CCCC1 ZINC000773368114 581423748 /nfs/dbraw/zinc/42/37/48/581423748.db2.gz OSWLECFZEGUFNN-HOTGVXAUSA-N 1 0 332.492 2.845 20 10 EFCDRO C[C@H](NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773394552 581426352 /nfs/dbraw/zinc/42/63/52/581426352.db2.gz ZXHMKSDOVIOZTA-QWQRMKEZSA-N 1 0 330.476 2.596 20 10 EFCDRO C[C@@H](NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1ccc(N(C)C)cc1 ZINC000773434747 581430604 /nfs/dbraw/zinc/43/06/04/581430604.db2.gz BXEUHAKYMRQODR-CABCVRRESA-N 1 0 330.476 2.763 20 10 EFCDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000773612888 581450482 /nfs/dbraw/zinc/45/04/82/581450482.db2.gz NDNSRBZHRCNNHE-QILLFSRXSA-N 1 0 330.476 2.740 20 10 EFCDRO CCN(C)c1ccc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)cc1 ZINC000773804953 581465271 /nfs/dbraw/zinc/46/52/71/581465271.db2.gz FGWBCLWNBWTZNG-LJQANCHMSA-N 1 0 342.487 2.822 20 10 EFCDRO CCN(C)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000773887139 581472135 /nfs/dbraw/zinc/47/21/35/581472135.db2.gz BNJCANAHGYUEMZ-PMACEKPBSA-N 1 0 331.504 2.876 20 10 EFCDRO C[C@@H](NC(=S)NCC(C)(C)C[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000774251392 581488067 /nfs/dbraw/zinc/48/80/67/581488067.db2.gz PSGRPWISOOKDEJ-CQSZACIVSA-N 1 0 336.549 2.866 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)cc1C ZINC000774403339 581490853 /nfs/dbraw/zinc/49/08/53/581490853.db2.gz JBDPXOXAOIJRCK-CYBMUJFWSA-N 1 0 334.441 2.502 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000774414999 581491040 /nfs/dbraw/zinc/49/10/40/581491040.db2.gz LXPPZIIYWUIJMG-AWEZNQCLSA-N 1 0 347.484 2.559 20 10 EFCDRO COc1c(O)c(CN2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000774828316 581501787 /nfs/dbraw/zinc/50/17/87/581501787.db2.gz WGURTPLLQMHQOU-UHFFFAOYSA-N 1 0 349.431 2.759 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1C ZINC000737091410 598315038 /nfs/dbraw/zinc/31/50/38/598315038.db2.gz ADMONNIWESITFK-UHFFFAOYSA-N 1 0 327.363 2.613 20 10 EFCDRO CC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(N(C)C)cc1 ZINC000736556563 598406131 /nfs/dbraw/zinc/40/61/31/598406131.db2.gz YSHIONSJBISUAZ-UHFFFAOYSA-N 1 0 336.443 2.955 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000825961198 608524276 /nfs/dbraw/zinc/52/42/76/608524276.db2.gz CANYENBRNAXUTQ-UHFFFAOYSA-N 1 0 340.406 2.704 20 10 EFCDRO Cc1c[nH]c(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000850136719 1250308980 /nfs/dbraw/zinc/30/89/80/1250308980.db2.gz ASPIICYIZZLCBR-HNNXBMFYSA-N 1 0 334.851 2.831 20 10 EFCDRO COc1cc(C[NH2+]C[C@@H](O)C2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850150799 1250316113 /nfs/dbraw/zinc/31/61/13/1250316113.db2.gz NHPDPTPPQZKRRO-QGZVFWFLSA-N 1 0 337.460 2.575 20 10 EFCDRO COc1cc(C[NH2+][C@H](C)[C@@H](CO)SC)c(O)c(C(C)(C)C)c1 ZINC000850153314 1250322926 /nfs/dbraw/zinc/32/29/26/1250322926.db2.gz WROOKRLNHDRMGQ-IAQYHMDHSA-N 1 0 327.490 2.900 20 10 EFCDRO COc1cc(C[NH2+]CC(C)(C)S(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000850172875 1250334514 /nfs/dbraw/zinc/33/45/14/1250334514.db2.gz KZJIQJHPASXUQK-UHFFFAOYSA-N 1 0 343.489 2.611 20 10 EFCDRO COc1cc(C[NH2+]CCCO[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850184275 1250344838 /nfs/dbraw/zinc/34/48/38/1250344838.db2.gz OGIDXFIWNGAMOZ-OAHLLOKOSA-N 1 0 337.460 2.984 20 10 EFCDRO COc1cc(C[NH2+][C@@H](C)CCS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000850189894 1250346691 /nfs/dbraw/zinc/34/66/91/1250346691.db2.gz OVDOTNHBDZXEPZ-LBPRGKRZSA-N 1 0 343.489 2.611 20 10 EFCDRO CC(C)=CCN1CC[C@@]2(CC[N@H+](Cc3cc(F)ccc3O)C2)C1=O ZINC001273284163 1265476239 /nfs/dbraw/zinc/47/62/39/1265476239.db2.gz FYNUXDWBIFUOOM-LJQANCHMSA-N 1 0 332.419 2.922 20 10 EFCDRO COc1cc(C[NH2+]CCCNC(=O)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000850226272 1250361426 /nfs/dbraw/zinc/36/14/26/1250361426.db2.gz MIGQIGDQKQBXKI-UHFFFAOYSA-N 1 0 336.476 2.950 20 10 EFCDRO CCNC(=O)[C@@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)C(C)C ZINC000850310393 1250419507 /nfs/dbraw/zinc/41/95/07/1250419507.db2.gz FHCKAQUSFPCEGB-INIZCTEOSA-N 1 0 336.476 2.949 20 10 EFCDRO COc1cc(C[NH2+]C[C@@H]2CCOC[C@@H]2OC)c(O)c(C(C)(C)C)c1 ZINC000850315725 1250422619 /nfs/dbraw/zinc/42/26/19/1250422619.db2.gz KJELUDBQAYIOOH-GUYCJALGSA-N 1 0 337.460 2.839 20 10 EFCDRO CCCn1nccc1C[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850331460 1250435871 /nfs/dbraw/zinc/43/58/71/1250435871.db2.gz ZYMXKGGSBIMWKL-INIZCTEOSA-N 1 0 328.460 2.918 20 10 EFCDRO Fc1ccc2c(c1)OC[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC000850380804 1250457529 /nfs/dbraw/zinc/45/75/29/1250457529.db2.gz MSUVFQCEHCLYFW-SFHVURJKSA-N 1 0 342.414 2.756 20 10 EFCDRO CCOCc1cc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)ccc1OC ZINC000850397319 1250463271 /nfs/dbraw/zinc/46/32/71/1250463271.db2.gz VTQCAGOURNHYCZ-IBGZPJMESA-N 1 0 348.487 2.575 20 10 EFCDRO CCOc1ccc(C[NH2+]CC2(CC(=O)NC)CCCCC2)c(O)c1 ZINC000850399247 1250468026 /nfs/dbraw/zinc/46/80/26/1250468026.db2.gz ITGAVADJUZQPDW-UHFFFAOYSA-N 1 0 334.460 2.967 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000850406820 1250469769 /nfs/dbraw/zinc/46/97/69/1250469769.db2.gz VEIYFBYDQSKXMZ-KRWDZBQOSA-N 1 0 330.472 2.839 20 10 EFCDRO Cn1ncc(C2CC2)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406862 1250469992 /nfs/dbraw/zinc/46/99/92/1250469992.db2.gz XDBSJRCLHBVXCC-UHFFFAOYSA-N 1 0 340.471 2.548 20 10 EFCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(N3CCCNC3=O)cc2)cc1 ZINC000850412831 1250470950 /nfs/dbraw/zinc/47/09/50/1250470950.db2.gz AVLJJBPMANWTSQ-UHFFFAOYSA-N 1 0 338.455 2.962 20 10 EFCDRO COc1cccc(O)c1C[NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC000850418846 1250476042 /nfs/dbraw/zinc/47/60/42/1250476042.db2.gz RIFZRZPMFCRJDH-CQSZACIVSA-N 1 0 327.302 2.641 20 10 EFCDRO COc1ccc(N2C[C@@H]([NH2+][C@H]3CCc4cccc(O)c43)CC2=O)cc1 ZINC000850515734 1250517803 /nfs/dbraw/zinc/51/78/03/1250517803.db2.gz OBKNZKLHHKOTCL-YOEHRIQHSA-N 1 0 338.407 2.783 20 10 EFCDRO COc1ccc(N2C[C@@H]([NH2+][C@H](C)c3cc(F)ccc3O)CC2=O)cc1 ZINC000850516097 1250520399 /nfs/dbraw/zinc/52/03/99/1250520399.db2.gz SLIDONFHKCOEDL-OCCSQVGLSA-N 1 0 344.386 2.996 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+][C@H]3COc4ccccc4C3)cc2)CC1 ZINC000850568191 1250540343 /nfs/dbraw/zinc/54/03/43/1250540343.db2.gz RGDOHSXPKVJQRR-GOSISDBHSA-N 1 0 338.451 2.741 20 10 EFCDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)ccn1 ZINC000850567935 1250540353 /nfs/dbraw/zinc/54/03/53/1250540353.db2.gz MIEVSCIKKJPBQA-OAHLLOKOSA-N 1 0 341.455 2.902 20 10 EFCDRO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568334 1250540383 /nfs/dbraw/zinc/54/03/83/1250540383.db2.gz VREUKOIHLNCDDQ-PXNSSMCTSA-N 1 0 332.488 2.943 20 10 EFCDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C12CCC2 ZINC000850567745 1250540434 /nfs/dbraw/zinc/54/04/34/1250540434.db2.gz IGZMMOIOPCQEFF-OALUTQOASA-N 1 0 330.472 2.695 20 10 EFCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567797 1250540457 /nfs/dbraw/zinc/54/04/57/1250540457.db2.gz JGWBWIZWVDCKMU-HNNXBMFYSA-N 1 0 348.487 2.858 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)N(C)CC(C)(C)[NH3+])cc2)CC1 ZINC000851656422 1251181910 /nfs/dbraw/zinc/18/19/10/1251181910.db2.gz JQDMOFIZUIELHZ-UHFFFAOYSA-N 1 0 332.492 2.802 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccsn3)CC2)cc1C ZINC000996702724 1255776915 /nfs/dbraw/zinc/77/69/15/1255776915.db2.gz OYOIJCXXJFBCPC-UHFFFAOYSA-N 1 0 345.468 2.855 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CO[C@@H](C)C3)CC2)cc1C ZINC000996748276 1255932088 /nfs/dbraw/zinc/93/20/88/1255932088.db2.gz PYAZRXXXCPQQGH-DOTOQJQBSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(C)=O)C[C@@H]2C(F)(F)F)cc1C ZINC000996812194 1256130322 /nfs/dbraw/zinc/13/03/22/1256130322.db2.gz NGJFDGZIMQOHJG-CABCVRRESA-N 1 0 344.377 2.750 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(C)=O)C[C@@H]2C(F)(F)F)cc1C ZINC000996812196 1256131253 /nfs/dbraw/zinc/13/12/53/1256131253.db2.gz NGJFDGZIMQOHJG-GJZGRUSLSA-N 1 0 344.377 2.750 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3conc3C)CC2)cc1C ZINC000996943736 1256542642 /nfs/dbraw/zinc/54/26/42/1256542642.db2.gz RWIBJEDWBQKIBV-UHFFFAOYSA-N 1 0 343.427 2.694 20 10 EFCDRO O=C(c1ccco1)N1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921522848 1256909790 /nfs/dbraw/zinc/90/97/90/1256909790.db2.gz UQNMQBKQMZILAK-UHFFFAOYSA-N 1 0 340.423 2.999 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCO[C@H]3C)CC2)cc1C ZINC000997122809 1256983812 /nfs/dbraw/zinc/98/38/12/1256983812.db2.gz DTTMDQPSNQZGTL-MAUKXSAKSA-N 1 0 346.471 2.509 20 10 EFCDRO O=C1COc2ccccc2CN1CC[NH2+]Cc1cc(Cl)ccc1O ZINC000922463603 1266089261 /nfs/dbraw/zinc/08/92/61/1266089261.db2.gz UGNVPUWAGLCPML-UHFFFAOYSA-N 1 0 346.814 2.556 20 10 EFCDRO O=S(=O)(CC[NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921596753 1257530675 /nfs/dbraw/zinc/53/06/75/1257530675.db2.gz NVYXEKPXRAJHST-UHFFFAOYSA-N 1 0 331.437 2.575 20 10 EFCDRO Cc1ccc(C[NH+]2CCC3(CCN(CC(F)F)C3=O)CC2)c(O)c1 ZINC001272764644 1257675949 /nfs/dbraw/zinc/67/59/49/1257675949.db2.gz CFIGCMPCMFRWEA-UHFFFAOYSA-N 1 0 338.398 2.780 20 10 EFCDRO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C)cc1O ZINC001272764926 1257681059 /nfs/dbraw/zinc/68/10/59/1257681059.db2.gz CTXKPVSKCQTXMB-QRWLVFNGSA-N 1 0 344.455 2.635 20 10 EFCDRO COC(C)(C)CN1CC[C@]2(CC[N@H+](Cc3ccc(C)cc3O)C2)C1=O ZINC001272765345 1257683641 /nfs/dbraw/zinc/68/36/41/1257683641.db2.gz HKNFQHYFQZNDCU-FQEVSTJZSA-N 1 0 346.471 2.550 20 10 EFCDRO Cc1ccc(C[N@H+]2CCC[C@@]3(CC(=O)N(CC(C)C)C3=O)C2)c(O)c1 ZINC001272766350 1257703487 /nfs/dbraw/zinc/70/34/87/1257703487.db2.gz PJPLZYZNUAMJIT-HXUWFJFHSA-N 1 0 344.455 2.698 20 10 EFCDRO O=C1[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCN1Cc1ccccc1 ZINC000921624676 1257831315 /nfs/dbraw/zinc/83/13/15/1257831315.db2.gz OFUMKUOBXYSYTC-LJQANCHMSA-N 1 0 336.435 2.902 20 10 EFCDRO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000921650966 1259460050 /nfs/dbraw/zinc/46/00/50/1259460050.db2.gz PUUVHXSCPPJVLQ-CQSZACIVSA-N 1 0 341.407 2.852 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3ccco3)C2)cc1C ZINC000998399142 1259489651 /nfs/dbraw/zinc/48/96/51/1259489651.db2.gz YBPKCZXSYONKGH-INIZCTEOSA-N 1 0 328.412 2.991 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3cccnc3)C2)cc1C ZINC000998403133 1259493683 /nfs/dbraw/zinc/49/36/83/1259493683.db2.gz MHXJDBHZSFAHJV-GOSISDBHSA-N 1 0 339.439 2.793 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CCOC3)C2)cc1C ZINC000998573097 1259698068 /nfs/dbraw/zinc/69/80/68/1259698068.db2.gz GOGSBJSFYFFALP-AOCRQIFASA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C)SC)C2)cc1C ZINC000998602083 1259731812 /nfs/dbraw/zinc/73/18/12/1259731812.db2.gz RRKZHTDINLRCSR-ZBFHGGJFSA-N 1 0 336.501 2.836 20 10 EFCDRO CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001036599965 1259747055 /nfs/dbraw/zinc/74/70/55/1259747055.db2.gz RTBHDXKUHDAONL-SWLSCSKDSA-N 1 0 331.420 2.699 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3cc[nH]c3)C2)cc1C ZINC000998814112 1259977167 /nfs/dbraw/zinc/97/71/67/1259977167.db2.gz WVWPRBBJASPBIH-UHFFFAOYSA-N 1 0 327.428 2.725 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3ccn(C)c3)C2)cc1C ZINC000998921573 1260084255 /nfs/dbraw/zinc/08/42/55/1260084255.db2.gz GCRZZPLQXDEMCL-SFHVURJKSA-N 1 0 341.455 2.737 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC3(F)F)C2)cc1C ZINC000999109440 1260225642 /nfs/dbraw/zinc/22/56/42/1260225642.db2.gz WYEZPHDXKCBOIG-CABCVRRESA-N 1 0 338.398 2.739 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)Cc3ccc[nH]3)C2)cc1C ZINC000999872848 1260962476 /nfs/dbraw/zinc/96/24/76/1260962476.db2.gz YMAIPWOUEAUYBD-UHFFFAOYSA-N 1 0 341.455 2.653 20 10 EFCDRO CC(C)C[NH2+]C1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000999906688 1260973782 /nfs/dbraw/zinc/97/37/82/1260973782.db2.gz NZYMDLLIVAVXAY-UHFFFAOYSA-N 1 0 331.420 2.698 20 10 EFCDRO CC[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001272902575 1261293999 /nfs/dbraw/zinc/29/39/99/1261293999.db2.gz FCLXAKMMISZPED-LIRRHRJNSA-N 1 0 332.444 2.853 20 10 EFCDRO CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001272903349 1261296089 /nfs/dbraw/zinc/29/60/89/1261296089.db2.gz RCBHTNXTKZWAAX-LJQANCHMSA-N 1 0 332.444 2.855 20 10 EFCDRO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]Cc1cc(OC)ccc1O ZINC000921740513 1261321825 /nfs/dbraw/zinc/32/18/25/1261321825.db2.gz LOJGPXAPXVAFOQ-ZDUSSCGKSA-N 1 0 345.395 2.631 20 10 EFCDRO CC(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(N(C)C)cc2)C1=O ZINC001272916759 1261327618 /nfs/dbraw/zinc/32/76/18/1261327618.db2.gz LDYCXLCAUYEQTA-FQEVSTJZSA-N 1 0 329.488 2.976 20 10 EFCDRO CC(C)CN1CC[C@@]2(CC[N@H+](Cc3ccc(N(C)C)cc3)C2)C1=O ZINC001272916942 1261328957 /nfs/dbraw/zinc/32/89/57/1261328957.db2.gz NLZAVQPWDKOCDT-HXUWFJFHSA-N 1 0 329.488 2.833 20 10 EFCDRO Cc1cc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c(C)n1-c1ccccn1 ZINC000923303749 1261436973 /nfs/dbraw/zinc/43/69/73/1261436973.db2.gz KAGMJXWQMOGVOR-DLBZAZTESA-N 1 0 338.455 2.798 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C=C(C)C)CCCO2)cc1C ZINC001078324455 1261629144 /nfs/dbraw/zinc/62/91/44/1261629144.db2.gz ULSAJYYHOUOXMM-SFHVURJKSA-N 1 0 346.471 2.677 20 10 EFCDRO CC(C)[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C12CCC2 ZINC001078823684 1262411402 /nfs/dbraw/zinc/41/14/02/1262411402.db2.gz RZNZYRQOCPQIHT-LSDHHAIUSA-N 1 0 343.431 2.888 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3CC(C)C3)C[C@H]2C)cc1C ZINC001082469811 1263176124 /nfs/dbraw/zinc/17/61/24/1263176124.db2.gz LATBWNDLCXIQQK-IFVKIFKYSA-N 1 0 330.472 2.986 20 10 EFCDRO OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921936084 1263569064 /nfs/dbraw/zinc/56/90/64/1263569064.db2.gz NGKHQZOQGMJYON-RTBURBONSA-N 1 0 327.424 2.586 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC3CCC3)cc2F)CC1 ZINC000730118524 1264207218 /nfs/dbraw/zinc/20/72/18/1264207218.db2.gz YCHAETNSFUKHJN-UHFFFAOYSA-N 1 0 348.466 2.567 20 10 EFCDRO OC[C@]1([NH2+]Cc2ccc3c(c2)CCCO3)CCOc2ccccc21 ZINC000922096957 1264359964 /nfs/dbraw/zinc/35/99/64/1264359964.db2.gz AVMAXPUHRCHZBY-HXUWFJFHSA-N 1 0 325.408 2.772 20 10 EFCDRO COc1cccc(O)c1C[NH2+]CC1(N2CCC(OC)CC2)CCCC1 ZINC000730817051 1264452535 /nfs/dbraw/zinc/45/25/35/1264452535.db2.gz FBCJLMOBXJIJSH-UHFFFAOYSA-N 1 0 348.487 2.914 20 10 EFCDRO O=C1N(CC2CCCC2)CC[C@@]12CC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001272988234 1264742783 /nfs/dbraw/zinc/74/27/83/1264742783.db2.gz OMCIQHHKFVCEQR-HXUWFJFHSA-N 1 0 344.455 2.712 20 10 EFCDRO O=C1N(CC2CCCC2)CC[C@@]12CCC[N@H+]2Cc1ccc(O)cc1O ZINC001272988184 1264742937 /nfs/dbraw/zinc/74/29/37/1264742937.db2.gz NXANZYSVKSAHRZ-FQEVSTJZSA-N 1 0 344.455 2.855 20 10 EFCDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922171249 1264745150 /nfs/dbraw/zinc/74/51/50/1264745150.db2.gz KNWHXQSDRWGLSM-AWEZNQCLSA-N 1 0 325.412 2.832 20 10 EFCDRO CCN(C)C(=O)[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000824683423 1278246392 /nfs/dbraw/zinc/24/63/92/1278246392.db2.gz JMIOBSAMUQGPBR-IBGZPJMESA-N 1 0 347.503 2.757 20 10 EFCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccnc(N2CCOCC2)c1 ZINC000733324046 1265167785 /nfs/dbraw/zinc/16/77/85/1265167785.db2.gz GLWZWRZMIUONKS-UHFFFAOYSA-N 1 0 333.819 2.567 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]C[C@]2(C)CCOC2)c1O ZINC000733328064 1265169712 /nfs/dbraw/zinc/16/97/12/1265169712.db2.gz RLHOJLMRCMMSIW-AWEZNQCLSA-N 1 0 330.222 2.680 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc1F ZINC000733329113 1265171120 /nfs/dbraw/zinc/17/11/20/1265171120.db2.gz MXRSNBZHQCVRHK-QGZVFWFLSA-N 1 0 335.467 2.625 20 10 EFCDRO Cc1cccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000733330738 1265173150 /nfs/dbraw/zinc/17/31/50/1265173150.db2.gz KZDANEOMQMIXLW-UHFFFAOYSA-N 1 0 344.480 2.520 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C(F)F)cc1C ZINC001085113388 1265179678 /nfs/dbraw/zinc/17/96/78/1265179678.db2.gz ZMXZNQBPDMXMLS-ZIAGYGMSSA-N 1 0 326.387 2.786 20 10 EFCDRO CCOc1cccc(C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)c1O ZINC000378920555 1266454492 /nfs/dbraw/zinc/45/44/92/1266454492.db2.gz YFYCFUGQOIBCRJ-UHFFFAOYSA-N 1 0 334.460 2.918 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@H](OCCO)C2)c(O)c(C(C)(C)C)c1 ZINC000824769362 1278274331 /nfs/dbraw/zinc/27/43/31/1278274331.db2.gz UALCLDFDNBTZQI-HNNXBMFYSA-N 1 0 337.460 2.672 20 10 EFCDRO CCOCCN1CC[C@]2(CCC[N@@H+]2Cc2c(C)ccc(C)c2O)C1=O ZINC001273049670 1266831128 /nfs/dbraw/zinc/83/11/28/1266831128.db2.gz ZGRYTGSWHPZBKU-HXUWFJFHSA-N 1 0 346.471 2.612 20 10 EFCDRO COCCCN1CC[C@]2(CCC[N@@H+]2Cc2c(C)ccc(C)c2O)C1=O ZINC001273049679 1266832632 /nfs/dbraw/zinc/83/26/32/1266832632.db2.gz ZSGYGPSCXSNCLV-HXUWFJFHSA-N 1 0 346.471 2.612 20 10 EFCDRO COc1ccc(O)c(CNC(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000734067117 1266849725 /nfs/dbraw/zinc/84/97/25/1266849725.db2.gz VOXHQIMWSBSZNQ-UHFFFAOYSA-N 1 0 349.475 2.712 20 10 EFCDRO CN(C)c1ccc(CN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C2CC2)cc1 ZINC000734285327 1266937821 /nfs/dbraw/zinc/93/78/21/1266937821.db2.gz JQHDWOYUFWMSKC-MRXNPFEDSA-N 1 0 342.487 2.663 20 10 EFCDRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1ccc(N(C)C)cc1C ZINC000734385178 1266963879 /nfs/dbraw/zinc/96/38/79/1266963879.db2.gz MSCAZLUIZKORGW-KRWDZBQOSA-N 1 0 334.533 2.509 20 10 EFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000734532547 1267006695 /nfs/dbraw/zinc/00/66/95/1267006695.db2.gz OLXGCORXTQPMQR-SFHVURJKSA-N 1 0 332.492 2.735 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000734652676 1267055084 /nfs/dbraw/zinc/05/50/84/1267055084.db2.gz XNBAQNZZOBXSOQ-INIZCTEOSA-N 1 0 332.492 2.591 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000734661389 1267057601 /nfs/dbraw/zinc/05/76/01/1267057601.db2.gz LNAGZVGRVWXKCX-DOTOQJQBSA-N 1 0 346.519 2.981 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000734661864 1267066580 /nfs/dbraw/zinc/06/65/80/1267066580.db2.gz SQFRNIPTAMPBTP-INIZCTEOSA-N 1 0 332.492 2.735 20 10 EFCDRO NC(=O)CCC1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824851067 1278314252 /nfs/dbraw/zinc/31/42/52/1278314252.db2.gz SCUOLXVPAPATEU-UHFFFAOYSA-N 1 0 341.249 2.632 20 10 EFCDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000824861252 1278319446 /nfs/dbraw/zinc/31/94/46/1278319446.db2.gz JDYGSFUVUMIBCO-KGLIPLIRSA-N 1 0 337.416 2.621 20 10 EFCDRO C[NH+](C)CCCCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000735516676 1267336035 /nfs/dbraw/zinc/33/60/35/1267336035.db2.gz WBCHVJQIHJMODQ-KRWDZBQOSA-N 1 0 334.460 2.632 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@]23CCN(C)C3=O)c(OC)c1 ZINC001273326243 1267397783 /nfs/dbraw/zinc/39/77/83/1267397783.db2.gz YHOIHIXFONESPT-FQEVSTJZSA-N 1 0 345.487 2.738 20 10 EFCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824895014 1278331521 /nfs/dbraw/zinc/33/15/21/1278331521.db2.gz PABCKDMYBCRXKZ-AWEZNQCLSA-N 1 0 328.206 2.540 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCSC[C@@H]3C3CC3)cc2)CC1 ZINC000824914545 1278341915 /nfs/dbraw/zinc/34/19/15/1278341915.db2.gz UNVCVKYUXGYBIF-LJQANCHMSA-N 1 0 331.529 2.766 20 10 EFCDRO CCOCCO[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824939647 1278360271 /nfs/dbraw/zinc/36/02/71/1278360271.db2.gz ZQFXIRNADKSPMH-AWEZNQCLSA-N 1 0 344.249 2.782 20 10 EFCDRO O=S1(=O)CC[C@]2(C1)CCC[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000824976966 1278375510 /nfs/dbraw/zinc/37/55/10/1278375510.db2.gz GITFYHKIKFMQPP-LJQANCHMSA-N 1 0 345.464 2.946 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](CO)CC(C)(C)C ZINC000825040997 1278392312 /nfs/dbraw/zinc/39/23/12/1278392312.db2.gz XYNZWTRKQNAJBL-MRXNPFEDSA-N 1 0 338.467 2.891 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cc(Br)nn1C ZINC000785470318 1268240990 /nfs/dbraw/zinc/24/09/90/1268240990.db2.gz NJGMWJAPVWERDB-UHFFFAOYSA-N 1 0 337.265 2.847 20 10 EFCDRO Cc1cc(O)c(C[NH2+]C[C@@H](C(C)C)N2CCOCC2)cc1Cl ZINC000825071761 1278405088 /nfs/dbraw/zinc/40/50/88/1278405088.db2.gz UGOPOWYXHJXSOL-INIZCTEOSA-N 1 0 326.868 2.800 20 10 EFCDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000825117693 1278418220 /nfs/dbraw/zinc/41/82/20/1278418220.db2.gz JSWPXSUTPJFCLY-ZTFGCOKTSA-N 1 0 345.443 2.884 20 10 EFCDRO CCOc1cccc(C[NH2+]C[C@H](c2nnc[nH]2)c2ccccc2)c1O ZINC000825124684 1278419696 /nfs/dbraw/zinc/41/96/96/1278419696.db2.gz WGSAGPKQRWQROM-INIZCTEOSA-N 1 0 338.411 2.831 20 10 EFCDRO COC[C@]1(CO)CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000825158187 1278457199 /nfs/dbraw/zinc/45/71/99/1278457199.db2.gz HDVJYLXJTMZGEV-MRXNPFEDSA-N 1 0 346.393 2.602 20 10 EFCDRO C[NH+](C)CCn1cc(NCc2ccc(Br)cc2O)cn1 ZINC000825215681 1278466426 /nfs/dbraw/zinc/46/64/26/1278466426.db2.gz UPMVMWYGRCEYRN-UHFFFAOYSA-N 1 0 339.237 2.525 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)c2C)cc1 ZINC000825188724 1278471858 /nfs/dbraw/zinc/47/18/58/1278471858.db2.gz NFQHEFDVHMSRQK-HZPDHXFCSA-N 1 0 341.455 2.960 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000825239966 1278481868 /nfs/dbraw/zinc/48/18/68/1278481868.db2.gz BAHPTURSSPGVRA-OAHLLOKOSA-N 1 0 336.229 2.848 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3ccccn3)C2)cc1C ZINC001086012942 1269518706 /nfs/dbraw/zinc/51/87/06/1269518706.db2.gz XIZKTDDBNCAVMT-CALCHBBNSA-N 1 0 339.439 2.697 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cc(C)on3)C2)cc1C ZINC001086023934 1269579362 /nfs/dbraw/zinc/57/93/62/1269579362.db2.gz WSCKQOMBFCBTMU-IYBDPMFKSA-N 1 0 343.427 2.598 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1O ZINC000825289850 1278493998 /nfs/dbraw/zinc/49/39/98/1278493998.db2.gz GKJHJTBBEDAFGI-HIFRSBDPSA-N 1 0 348.443 2.842 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cccn3C)C2)cc1C ZINC001086031203 1269598615 /nfs/dbraw/zinc/59/86/15/1269598615.db2.gz ORWDZWQWVYLQGB-CALCHBBNSA-N 1 0 341.455 2.640 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3ncoc3C)C2)cc1C ZINC001086040646 1269637605 /nfs/dbraw/zinc/63/76/05/1269637605.db2.gz POKZWLOCDLQREZ-IYBDPMFKSA-N 1 0 343.427 2.598 20 10 EFCDRO CN(C)[C@@]1(C[NH2+]Cc2ccc(Br)cc2O)CCSC1 ZINC000825325798 1278506551 /nfs/dbraw/zinc/50/65/51/1278506551.db2.gz JZHXURIURRCUTN-CQSZACIVSA-N 1 0 345.306 2.682 20 10 EFCDRO C[C@@H](F)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700317 1269868794 /nfs/dbraw/zinc/86/87/94/1269868794.db2.gz XHJWTCSETCOXFS-IUODEOHRSA-N 1 0 349.410 2.743 20 10 EFCDRO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033698884 1269905569 /nfs/dbraw/zinc/90/55/69/1269905569.db2.gz FBNBRDKYINIBJR-MRXNPFEDSA-N 1 0 343.431 2.795 20 10 EFCDRO Cc1ccoc1C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000742367506 1270007849 /nfs/dbraw/zinc/00/78/49/1270007849.db2.gz ALWSEQWFLZMEHJ-MRXNPFEDSA-N 1 0 327.428 2.580 20 10 EFCDRO O=C1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000742391078 1270018029 /nfs/dbraw/zinc/01/80/29/1270018029.db2.gz BZSZZTOIEJSGGY-XUVXKRRUSA-N 1 0 348.446 2.868 20 10 EFCDRO CN(C)c1cccc(C[NH2+]Cc2ccc(Br)cc2O)n1 ZINC000825374904 1278527379 /nfs/dbraw/zinc/52/73/79/1278527379.db2.gz GZRPBNNHNWFWEW-UHFFFAOYSA-N 1 0 336.233 2.906 20 10 EFCDRO OCc1ccc(CC[NH2+]Cc2ccc(Br)cc2O)cc1 ZINC000825405508 1278539292 /nfs/dbraw/zinc/53/92/92/1278539292.db2.gz HULDKCFZCDYKKV-UHFFFAOYSA-N 1 0 336.229 2.979 20 10 EFCDRO CC(C)(CNC(=O)c1cccc(O)c1O)[N@@H+]1CCc2ccccc2C1 ZINC000187023296 1270211645 /nfs/dbraw/zinc/21/16/45/1270211645.db2.gz PXAKFGMVYWXYBS-UHFFFAOYSA-N 1 0 340.423 2.665 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccncc1 ZINC000743472071 1270598090 /nfs/dbraw/zinc/59/80/90/1270598090.db2.gz JVYLVAABKRGXAC-MAUKXSAKSA-N 1 0 338.455 2.634 20 10 EFCDRO CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001034052466 1270932246 /nfs/dbraw/zinc/93/22/46/1270932246.db2.gz IRSPNWDIPHHTHT-HNNXBMFYSA-N 1 0 331.420 2.795 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]C[C@@H](OC)C(C)C)c1O ZINC000744449221 1271051194 /nfs/dbraw/zinc/05/11/94/1271051194.db2.gz SWWZHKHQPYGZHA-CYBMUJFWSA-N 1 0 332.238 2.924 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3[nH]ccc3C)C2)cc1C ZINC001086355509 1271126643 /nfs/dbraw/zinc/12/66/43/1271126643.db2.gz BZTSHONXZCCCEH-QAQDUYKDSA-N 1 0 341.455 2.938 20 10 EFCDRO CC[C@H](C)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001034287809 1271566277 /nfs/dbraw/zinc/56/62/77/1271566277.db2.gz ANXXQOAGNBPLIZ-HOCLYGCPSA-N 1 0 349.475 2.729 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC(F)(F)C2)cc1C ZINC001128941167 1271707268 /nfs/dbraw/zinc/70/72/68/1271707268.db2.gz AXEKACYSBNBTNY-AWEZNQCLSA-N 1 0 326.387 2.645 20 10 EFCDRO CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001034545186 1272261208 /nfs/dbraw/zinc/26/12/08/1272261208.db2.gz SORBIKQZMTWSKA-HNNXBMFYSA-N 1 0 331.420 2.843 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(O)c(O)c2)CN1C(=O)OC(C)(C)C ZINC001168810555 1272415524 /nfs/dbraw/zinc/41/55/24/1272415524.db2.gz HJAKVMBBPQONCP-OCCSQVGLSA-N 1 0 336.432 2.628 20 10 EFCDRO C[C@H]1C[C@H]([NH2+]CCc2ccc(O)c(O)c2)CN1C(=O)OC(C)(C)C ZINC001168810553 1272416385 /nfs/dbraw/zinc/41/63/85/1272416385.db2.gz HJAKVMBBPQONCP-JSGCOSHPSA-N 1 0 336.432 2.628 20 10 EFCDRO CCOCC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001168951046 1272540880 /nfs/dbraw/zinc/54/08/80/1272540880.db2.gz HSZTURNYOVOOFY-MRXNPFEDSA-N 1 0 336.476 2.805 20 10 EFCDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC001168987312 1272588652 /nfs/dbraw/zinc/58/86/52/1272588652.db2.gz IBGUCJXGZCZYLG-BXKDBHETSA-N 1 0 329.194 2.690 20 10 EFCDRO CCOC(=O)[C@H]1CC[C@@H]([N@H+](CC)Cc2ccc(N(C)C)cc2)CO1 ZINC001169415310 1272901316 /nfs/dbraw/zinc/90/13/16/1272901316.db2.gz CYTXQEXOSKEKMS-QZTJIDSGSA-N 1 0 334.460 2.685 20 10 EFCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC001169446569 1272922674 /nfs/dbraw/zinc/92/26/74/1272922674.db2.gz KKNFFXIWIQNKPS-LLVKDONJSA-N 1 0 343.265 2.891 20 10 EFCDRO CCN(CC)C(=O)C[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001169478488 1272942649 /nfs/dbraw/zinc/94/26/49/1272942649.db2.gz QKVHGMLNVRAXNX-KRWDZBQOSA-N 1 0 347.503 2.602 20 10 EFCDRO CCOc1ccc(N2CC[NH+]([C@H](C)CC(=O)N(CC)CC)CC2)cc1 ZINC001169487582 1272978226 /nfs/dbraw/zinc/97/82/26/1272978226.db2.gz UAFGRADKUWQHAN-QGZVFWFLSA-N 1 0 347.503 2.854 20 10 EFCDRO CC[NH2+]Cc1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001034831994 1273099281 /nfs/dbraw/zinc/09/92/81/1273099281.db2.gz IZDCHDAQYNNQJL-UHFFFAOYSA-N 1 0 339.399 2.889 20 10 EFCDRO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001169727543 1273105507 /nfs/dbraw/zinc/10/55/07/1273105507.db2.gz DRJXCVNUEFFVEO-QGZVFWFLSA-N 1 0 340.423 2.535 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C(=O)C(C)(C)C)cc1C ZINC001034884727 1273150212 /nfs/dbraw/zinc/15/02/12/1273150212.db2.gz BCZVSGNSCCWECV-MRXNPFEDSA-N 1 0 346.471 2.699 20 10 EFCDRO CC[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1cc(Br)ccc1O ZINC000704304779 1273299726 /nfs/dbraw/zinc/29/97/26/1273299726.db2.gz LUETYFYVSIGWAV-OLZOCXBDSA-N 1 0 341.249 2.816 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2cc(F)c[nH]2)cc1C ZINC001034994930 1273353882 /nfs/dbraw/zinc/35/38/82/1273353882.db2.gz JGWQFFIAJBLGAH-MRXNPFEDSA-N 1 0 345.418 2.865 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3ccco3)C2)cc1C ZINC001090900232 1278777958 /nfs/dbraw/zinc/77/79/58/1278777958.db2.gz IQYDXRRLDVEJDR-UHFFFAOYSA-N 1 0 328.412 2.895 20 10 EFCDRO C[NH2+]CCc1ccccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000844173354 1278779795 /nfs/dbraw/zinc/77/97/95/1278779795.db2.gz WHQQAIGINHYIOJ-UHFFFAOYSA-N 1 0 337.467 2.979 20 10 EFCDRO C[NH2+]CCc1ccccc1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000844175958 1278780678 /nfs/dbraw/zinc/78/06/78/1278780678.db2.gz MZMUWLFXGUJKPI-UHFFFAOYSA-N 1 0 339.439 2.537 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](OC)C(C)C)cc1C ZINC001035039727 1273426678 /nfs/dbraw/zinc/42/66/78/1273426678.db2.gz PCYHNGFMSSBBBD-MJGOQNOKSA-N 1 0 348.487 2.755 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2oncc2C)cc1C ZINC001035090571 1273527113 /nfs/dbraw/zinc/52/71/13/1273527113.db2.gz DQSHPBHOKZZXCH-MRXNPFEDSA-N 1 0 343.427 2.694 20 10 EFCDRO CCCN(CC[NH+](C)C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000844201990 1278806976 /nfs/dbraw/zinc/80/69/76/1278806976.db2.gz HFPMHQODYZKGRJ-UHFFFAOYSA-N 1 0 346.500 2.730 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2[nH]ccc2C2CC2)cc1C ZINC001129094858 1273747703 /nfs/dbraw/zinc/74/77/03/1273747703.db2.gz ZFLDOPGNKVHMJG-UHFFFAOYSA-N 1 0 327.428 2.729 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CSC)C[C@@H]2C)cc1C ZINC001035905121 1274649578 /nfs/dbraw/zinc/64/95/78/1274649578.db2.gz DNDVSYGEAHJZBP-HOCLYGCPSA-N 1 0 336.501 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc[nH]c3)C[C@@H]2C)cc1C ZINC001036044033 1274959559 /nfs/dbraw/zinc/95/95/59/1274959559.db2.gz AYGMBXULCMRHEU-MAUKXSAKSA-N 1 0 341.455 2.972 20 10 EFCDRO Oc1cccc(Br)c1CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000706853900 1275053614 /nfs/dbraw/zinc/05/36/14/1275053614.db2.gz KUWNYGMTTCTJST-KGLIPLIRSA-N 1 0 325.250 2.871 20 10 EFCDRO CCC[N@@H+]1CC[C@@H](CNCc2c(O)cccc2Br)C1 ZINC000706854214 1275054736 /nfs/dbraw/zinc/05/47/36/1275054736.db2.gz VYUUFZGIFQDOOZ-LBPRGKRZSA-N 1 0 327.266 2.976 20 10 EFCDRO COCCSCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000785779760 1275186072 /nfs/dbraw/zinc/18/60/72/1275186072.db2.gz CIKLBDDIBQRSKB-INIZCTEOSA-N 1 0 338.517 2.944 20 10 EFCDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000785986610 1275265142 /nfs/dbraw/zinc/26/51/42/1275265142.db2.gz BKCNOSCGPNVHBI-SPYBWZPUSA-N 1 0 336.451 2.644 20 10 EFCDRO C[N@@H+]1CC[C@]2(CCN(Cc3c(O)cccc3Br)C2)C1 ZINC000707170603 1275374447 /nfs/dbraw/zinc/37/44/47/1275374447.db2.gz BCRKZAHYMYBHFL-HNNXBMFYSA-N 1 0 325.250 2.682 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cn(C)nc2C(F)F)cc1 ZINC000844401399 1278952854 /nfs/dbraw/zinc/95/28/54/1278952854.db2.gz NGNXWFYBOMANEE-UHFFFAOYSA-N 1 0 338.402 2.935 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1C ZINC000786826502 1275534142 /nfs/dbraw/zinc/53/41/42/1275534142.db2.gz HLXMIWIMWKXYDY-UHFFFAOYSA-N 1 0 325.455 2.758 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1cc(F)ccc1O ZINC000786960416 1275589601 /nfs/dbraw/zinc/58/96/01/1275589601.db2.gz IJUFTJRVBQLFJU-SECBINFHSA-N 1 0 329.418 2.847 20 10 EFCDRO COC(=O)[C@H]1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)[C@H]1C ZINC000787239944 1275731762 /nfs/dbraw/zinc/73/17/62/1275731762.db2.gz PKLZTFCMPWSMQO-WFASDCNBSA-N 1 0 329.396 2.937 20 10 EFCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)[C@H]1C ZINC000787420064 1275769353 /nfs/dbraw/zinc/76/93/53/1275769353.db2.gz CTLAYUPMFILMCG-GWCFXTLKSA-N 1 0 342.233 2.847 20 10 EFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)[C@@H]1C ZINC000787422082 1275770927 /nfs/dbraw/zinc/77/09/27/1275770927.db2.gz ZBSDKDUAFXMBQV-BXKDBHETSA-N 1 0 328.206 2.538 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2C[C@H]([NH2+]CCC3CC3)C2)cc1 ZINC001086562525 1276074859 /nfs/dbraw/zinc/07/48/59/1276074859.db2.gz VUSRGKLGBAKBKY-SAZUREKKSA-N 1 0 343.431 2.747 20 10 EFCDRO C[C@H]([NH2+]CCc1cncn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000788258250 1276109384 /nfs/dbraw/zinc/10/93/84/1276109384.db2.gz VAVJRDHPSKJERG-AWEZNQCLSA-N 1 0 348.878 2.803 20 10 EFCDRO COc1ccc(C[C@H](C)[NH2+]Cc2cccc(O)c2O)c([N+](=O)[O-])c1 ZINC001170315443 1279009266 /nfs/dbraw/zinc/00/92/66/1279009266.db2.gz XRVSPNBESWFZHD-NSHDSACASA-N 1 0 332.356 2.735 20 10 EFCDRO CC(C)[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H](O)c1ccccc1 ZINC000788541377 1276212943 /nfs/dbraw/zinc/21/29/43/1276212943.db2.gz WKGDHFZXQXQZEX-RBUKOAKNSA-N 1 0 329.396 2.969 20 10 EFCDRO C[N@@H+]1CC[C@@H](c2ccc(NCC(=O)c3ccc(O)c(O)c3)cc2)C1 ZINC001170320732 1279013181 /nfs/dbraw/zinc/01/31/81/1279013181.db2.gz LCLXGOCWERFUOR-OAHLLOKOSA-N 1 0 326.396 2.812 20 10 EFCDRO C[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000817888166 1276347045 /nfs/dbraw/zinc/34/70/45/1276347045.db2.gz JDYCIMBZOOKJDQ-JTOWHCCKSA-N 1 0 335.467 2.669 20 10 EFCDRO C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(Br)c(F)cc1[O-] ZINC000817968401 1276411379 /nfs/dbraw/zinc/41/13/79/1276411379.db2.gz RQMFLFRILLUAGI-SECBINFHSA-N 1 0 329.213 2.864 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2nc(C3CC3)oc2C)cc1C ZINC001136039982 1276354427 /nfs/dbraw/zinc/35/44/27/1276354427.db2.gz JKAPQGWNHTZKGF-UHFFFAOYSA-N 1 0 343.427 2.697 20 10 EFCDRO CC[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817894930 1276364907 /nfs/dbraw/zinc/36/49/07/1276364907.db2.gz PFLFKJHRVOEERQ-UXHICEINSA-N 1 0 331.504 2.516 20 10 EFCDRO C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817901567 1276367407 /nfs/dbraw/zinc/36/74/07/1276367407.db2.gz WZSUNNCWLCZOOK-JKIFEVAISA-N 1 0 339.430 2.844 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3cnccc3N)CC2)cc1 ZINC000817903991 1276368744 /nfs/dbraw/zinc/36/87/44/1276368744.db2.gz ZKBIBCPTEZCMAR-CQSZACIVSA-N 1 0 326.444 2.822 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc2c(c1)OCCO2 ZINC000817938263 1276386123 /nfs/dbraw/zinc/38/61/23/1276386123.db2.gz HOBYRRNONOXFCQ-RDTXWAMCSA-N 1 0 341.455 2.874 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc2c(c1)OCCO2 ZINC000817938260 1276386327 /nfs/dbraw/zinc/38/63/27/1276386327.db2.gz HOBYRRNONOXFCQ-KBXCAEBGSA-N 1 0 341.455 2.874 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CN[C@H](c2nc[nH]n2)C2CCCCC2)cc1 ZINC000817941499 1276386822 /nfs/dbraw/zinc/38/68/22/1276386822.db2.gz KDDMPIDHTLKEAO-MSOLQXFVSA-N 1 0 342.491 2.782 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CN[C@@H](c2nc[nH]n2)C2CCCCC2)cc1 ZINC000817941505 1276386952 /nfs/dbraw/zinc/38/69/52/1276386952.db2.gz KDDMPIDHTLKEAO-ZWKOTPCHSA-N 1 0 342.491 2.782 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817941549 1276387497 /nfs/dbraw/zinc/38/74/97/1276387497.db2.gz KNALQTXBPLNLEI-ACJLOTCBSA-N 1 0 329.444 2.817 20 10 EFCDRO C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Br)cc(F)c1[O-] ZINC000817945429 1276390765 /nfs/dbraw/zinc/39/07/65/1276390765.db2.gz COFFUTZGYWUYRF-ZJUUUORDSA-N 1 0 331.229 2.944 20 10 EFCDRO C[C@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc(N(C)C)cc1 ZINC000817947537 1276390870 /nfs/dbraw/zinc/39/08/70/1276390870.db2.gz AFBWKDKZHZKITI-HNNXBMFYSA-N 1 0 325.460 2.730 20 10 EFCDRO C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Br)c(F)cc1[O-] ZINC000817945995 1276390888 /nfs/dbraw/zinc/39/08/88/1276390888.db2.gz PMUHYXYVBJGXMC-VHSXEESVSA-N 1 0 331.229 2.944 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817944152 1276390922 /nfs/dbraw/zinc/39/09/22/1276390922.db2.gz XTPXEZXUBKYMRJ-SJKOYZFVSA-N 1 0 343.431 2.594 20 10 EFCDRO C[C@@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc(N(C)C)cc1 ZINC000817947538 1276390944 /nfs/dbraw/zinc/39/09/44/1276390944.db2.gz AFBWKDKZHZKITI-OAHLLOKOSA-N 1 0 325.460 2.730 20 10 EFCDRO C[C@H]1C[C@@H](Nc2ccc(N3CC[NH2+]CC3)cn2)c2c1c(F)ccc2O ZINC000817951831 1276395817 /nfs/dbraw/zinc/39/58/17/1276395817.db2.gz HMMTYKWVIAXQDO-SWLSCSKDSA-N 1 0 342.418 2.996 20 10 EFCDRO Cc1cc(C)c([C@H](C)Nc2ccc(N3CC[NH2+]CC3)cn2)c(O)c1 ZINC000817952121 1276396009 /nfs/dbraw/zinc/39/60/09/1276396009.db2.gz HUDPWGWHYJPVOE-HNNXBMFYSA-N 1 0 326.444 2.987 20 10 EFCDRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCc1ccc(N)cc1 ZINC000817956120 1276397165 /nfs/dbraw/zinc/39/71/65/1276397165.db2.gz RCIVTNPJXUTIKW-GFCCVEGCSA-N 1 0 332.835 2.867 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000817996546 1276406306 /nfs/dbraw/zinc/40/63/06/1276406306.db2.gz HTEBPSBQJHEBDY-VLIAUNLRSA-N 1 0 340.423 2.509 20 10 EFCDRO CCN(CCC[NH+](C)C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817997657 1276406878 /nfs/dbraw/zinc/40/68/78/1276406878.db2.gz UPDLIUJXZAQHRQ-UHFFFAOYSA-N 1 0 346.500 2.730 20 10 EFCDRO C[C@@H](N[C@H]1CC[NH2+][C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817971872 1276413295 /nfs/dbraw/zinc/41/32/95/1276413295.db2.gz QLFHFFYONNIRMW-KFWWJZLASA-N 1 0 337.895 2.968 20 10 EFCDRO COC[C@]1(CN[C@@H](C)c2cc(Br)ccc2O)CCC[NH2+]1 ZINC000817975535 1276416227 /nfs/dbraw/zinc/41/62/27/1276416227.db2.gz WGATVGFYXVDAIO-XHDPSFHLSA-N 1 0 343.265 2.574 20 10 EFCDRO C[C@@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(N2CCOCC2)cc1Cl ZINC000817976404 1276416968 /nfs/dbraw/zinc/41/69/68/1276416968.db2.gz LHCUYQMIYUGJDA-RDBSUJKOSA-N 1 0 341.858 2.527 20 10 EFCDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000788973274 1276421080 /nfs/dbraw/zinc/42/10/80/1276421080.db2.gz QQWHCCMMHFRFQZ-AWEZNQCLSA-N 1 0 348.447 2.542 20 10 EFCDRO C[C@@H](NCCC[NH2+]C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817983436 1276421236 /nfs/dbraw/zinc/42/12/36/1276421236.db2.gz CZSFDYPZXWZHAF-CQSZACIVSA-N 1 0 337.895 2.969 20 10 EFCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CNCCO1 ZINC000817983056 1276421801 /nfs/dbraw/zinc/42/18/01/1276421801.db2.gz JTDQRJCTFJUWBA-HKUYNNGSSA-N 1 0 326.440 2.644 20 10 EFCDRO C[C@H]([NH2+][C@H](CN)C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817983219 1276421895 /nfs/dbraw/zinc/42/18/95/1276421895.db2.gz ZRRHGWVHSIOOGV-KBXCAEBGSA-N 1 0 335.467 2.830 20 10 EFCDRO Cc1cc(C(=O)N2CCCO[C@@H](C[NH3+])C2)c(C)n1-c1cccc(C)c1 ZINC000818012986 1276451770 /nfs/dbraw/zinc/45/17/70/1276451770.db2.gz WCTOISHWYYJCQM-SFHVURJKSA-N 1 0 341.455 2.592 20 10 EFCDRO Cc1cc(C(=O)N2CCCO[C@H](C[NH3+])C2)c(C)n1-c1cccc(C)c1 ZINC000818012985 1276451855 /nfs/dbraw/zinc/45/18/55/1276451855.db2.gz WCTOISHWYYJCQM-GOSISDBHSA-N 1 0 341.455 2.592 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3c(C)nn(C)c3C)C2)cc1 ZINC000818220527 1276492877 /nfs/dbraw/zinc/49/28/77/1276492877.db2.gz LIASISFHSOVLKY-INIZCTEOSA-N 1 0 328.460 2.662 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(OC)nc3)C2)cc1 ZINC000818219210 1276492894 /nfs/dbraw/zinc/49/28/94/1276492894.db2.gz AMFINNVFASBTJW-INIZCTEOSA-N 1 0 327.428 2.715 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3c(Cl)cnn3C)C2)cc1 ZINC000818222859 1276493494 /nfs/dbraw/zinc/49/34/94/1276493494.db2.gz XHZHSCZTRMEEPD-ZDUSSCGKSA-N 1 0 334.851 2.698 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnc([C@H](C)O)s3)C2)cc1 ZINC000818219693 1276493653 /nfs/dbraw/zinc/49/36/53/1276493653.db2.gz CRLKHXDOKKZKNZ-UONOGXRCSA-N 1 0 347.484 2.821 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnn(C)c3Cl)C2)cc1 ZINC000818222449 1276493766 /nfs/dbraw/zinc/49/37/66/1276493766.db2.gz TWENJDAQEDUPBA-CYBMUJFWSA-N 1 0 334.851 2.698 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)Cc3cnccn3)C2)cc1 ZINC000818342327 1276510103 /nfs/dbraw/zinc/51/01/03/1276510103.db2.gz PBNRFYHRCBXHNG-HOTGVXAUSA-N 1 0 326.444 2.532 20 10 EFCDRO COC[C@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1 ZINC000818342145 1276510134 /nfs/dbraw/zinc/51/01/34/1276510134.db2.gz MJODSMNUBKDGDM-UZLBHIALSA-N 1 0 348.487 2.553 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)C3(OC)CCOCC3)C2)cc1 ZINC000818341648 1276510282 /nfs/dbraw/zinc/51/02/82/1276510282.db2.gz CKKBCBNIVZTDHD-SJORKVTESA-N 1 0 348.487 2.695 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cc(C)nn3C)C2)cc1 ZINC000818343205 1276511785 /nfs/dbraw/zinc/51/17/85/1276511785.db2.gz ZHGOJSMISFBCTQ-JKSUJKDBSA-N 1 0 328.460 2.914 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCc4c3cnn4C)C2)cc1 ZINC000818345459 1276512911 /nfs/dbraw/zinc/51/29/11/1276512911.db2.gz UVWWLYBFCXAIOR-DNVCBOLYSA-N 1 0 340.471 2.922 20 10 EFCDRO C[C@H]1CC2(C[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC[NH2+]CC2 ZINC000818430881 1276516024 /nfs/dbraw/zinc/51/60/24/1276516024.db2.gz AVHJXFZRZIGYRZ-NSHDSACASA-N 1 0 339.823 2.918 20 10 EFCDRO [NH3+][C@@H]1CCCC[C@H]1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000818430887 1276516040 /nfs/dbraw/zinc/51/60/40/1276516040.db2.gz AZNGBKGAWUIXDH-HZPDHXFCSA-N 1 0 332.448 2.945 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cnccc3N)C2)cc1 ZINC000818614810 1276539158 /nfs/dbraw/zinc/53/91/58/1276539158.db2.gz GPSKRVHLWAYBGU-HUUCEWRRSA-N 1 0 326.444 2.680 20 10 EFCDRO CN1CCCc2cc(C[NH2+]C[C@H](O)Cc3ccc(F)cc3)ccc21 ZINC000818985511 1276563739 /nfs/dbraw/zinc/56/37/39/1276563739.db2.gz VWJPUIGYVHERKE-LJQANCHMSA-N 1 0 328.431 2.901 20 10 EFCDRO C[C@@H]1CN(c2ccc(C[NH2+]CC3(O)CCCC3)cc2F)C[C@@H](C)O1 ZINC000818967057 1276572440 /nfs/dbraw/zinc/57/24/40/1276572440.db2.gz QYTXZKJDKGJLFQ-HUUCEWRRSA-N 1 0 336.451 2.834 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]3C)cc2F)CC1 ZINC000074134330 1276607920 /nfs/dbraw/zinc/60/79/20/1276607920.db2.gz YIOGAIDZODZNIC-OAHLLOKOSA-N 1 0 348.466 2.662 20 10 EFCDRO Cc1cc(NC(=O)CC[NH2+]CCCSc2nccs2)no1 ZINC000819062274 1276612051 /nfs/dbraw/zinc/61/20/51/1276612051.db2.gz CYFROIYXXAOVDX-UHFFFAOYSA-N 1 0 326.447 2.540 20 10 EFCDRO CSC[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819119704 1276639577 /nfs/dbraw/zinc/63/95/77/1276639577.db2.gz CIPCIUJNBNAPMX-TZMCWYRMSA-N 1 0 346.443 2.570 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000819120439 1276639592 /nfs/dbraw/zinc/63/95/92/1276639592.db2.gz BJRZVTLGFIJACU-HXUWFJFHSA-N 1 0 344.430 2.610 20 10 EFCDRO O[C@H](C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000819358614 1276742400 /nfs/dbraw/zinc/74/24/00/1276742400.db2.gz MJQCCJXHIWUGEX-GOSISDBHSA-N 1 0 348.393 2.625 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)c3cccc(F)c3)C2)cc1 ZINC000819381215 1276763671 /nfs/dbraw/zinc/76/36/71/1276763671.db2.gz VWZAEUSIWDURFV-QRWLVFNGSA-N 1 0 344.430 2.984 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)c3ccccc3)C2)cc1 ZINC000819379373 1276763847 /nfs/dbraw/zinc/76/38/47/1276763847.db2.gz GLYAQVZSBVVZPJ-UZLBHIALSA-N 1 0 326.440 2.845 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)c3ccccc3F)C2)cc1 ZINC000819379750 1276764100 /nfs/dbraw/zinc/76/41/00/1276764100.db2.gz KXAGQAQQJBCRLE-MGPUTAFESA-N 1 0 344.430 2.984 20 10 EFCDRO CCOc1ccc(C[NH2+][C@](C)(CC(=O)OC)c2ccncc2)c(O)c1 ZINC000789554003 1276814829 /nfs/dbraw/zinc/81/48/29/1276814829.db2.gz FETZAQFPPUNEKX-LJQANCHMSA-N 1 0 344.411 2.754 20 10 EFCDRO COc1ccc(N2CC[C@H](CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)cc1 ZINC000819583840 1276827350 /nfs/dbraw/zinc/82/73/50/1276827350.db2.gz AEHXWFAVNVZVGM-YESZJQIVSA-N 1 0 345.487 2.511 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@]2(C)CO)c1O ZINC000789557828 1276843652 /nfs/dbraw/zinc/84/36/52/1276843652.db2.gz OPRKCVUHPCYQHL-AWEZNQCLSA-N 1 0 330.222 2.510 20 10 EFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C)N(C)C[C@@H]3C)cc2)CC1 ZINC000828597545 1287253424 /nfs/dbraw/zinc/25/34/24/1287253424.db2.gz HRZJJRJARUNEDJ-IRXDYDNUSA-N 1 0 331.504 2.826 20 10 EFCDRO CC(C)[C@H](CNC(=O)c1c(F)ccc(O)c1O)[NH+]1CCC(C)CC1 ZINC000790069132 1277205198 /nfs/dbraw/zinc/20/51/98/1277205198.db2.gz KSNMJCVTCBGSJI-AWEZNQCLSA-N 1 0 338.423 2.723 20 10 EFCDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@H](O)COc1ccccc1Cl ZINC000923286394 1277494668 /nfs/dbraw/zinc/49/46/68/1277494668.db2.gz JJGPFRDUOFSMHF-INIZCTEOSA-N 1 0 346.858 2.991 20 10 EFCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CC2(CCOCC2)O1 ZINC000790394420 1277499460 /nfs/dbraw/zinc/49/94/60/1277499460.db2.gz OBETZDZYYJQIOI-AWEZNQCLSA-N 1 0 328.412 2.710 20 10 EFCDRO COc1ccnc(N2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)c1 ZINC000815034791 1287278901 /nfs/dbraw/zinc/27/89/01/1287278901.db2.gz BVXPKIOGAJHDDE-UHFFFAOYSA-N 1 0 340.471 2.787 20 10 EFCDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1c(O)ccc3ccncc31)C[C@@H](C)O2 ZINC000790399761 1277539044 /nfs/dbraw/zinc/53/90/44/1277539044.db2.gz HOCYTHDRWHJVHF-PJIJBLCYSA-N 1 0 328.412 2.709 20 10 EFCDRO Cn1cc([C@H]2CSCC[N@@H+]2Cc2c(O)ccc3ccncc32)cn1 ZINC000790469287 1277579131 /nfs/dbraw/zinc/57/91/31/1277579131.db2.gz ATGMEVVUGWAEEZ-QGZVFWFLSA-N 1 0 340.452 2.964 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000790538978 1277612505 /nfs/dbraw/zinc/61/25/05/1277612505.db2.gz MHUFRYBZTWNZCY-SUMWQHHRSA-N 1 0 349.475 2.881 20 10 EFCDRO CC1(C)C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1O ZINC000790938728 1277856379 /nfs/dbraw/zinc/85/63/79/1277856379.db2.gz UIXQNWBCBSQBHB-QGZVFWFLSA-N 1 0 333.432 2.788 20 10 EFCDRO Cc1cc(C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)ccc1N(C)C ZINC000815083757 1287307221 /nfs/dbraw/zinc/30/72/21/1287307221.db2.gz AJGWZRNRVPDADH-UHFFFAOYSA-N 1 0 329.488 2.894 20 10 EFCDRO CCN(C)c1ccc(C[N@@H+]2[C@H]3C[C@H](C(=O)OC)O[C@H]3CC[C@H]2C)cc1 ZINC000815112416 1287310435 /nfs/dbraw/zinc/31/04/35/1287310435.db2.gz QCXNMPKLGIAIHW-GRGSLBFTSA-N 1 0 346.471 2.826 20 10 EFCDRO C[C@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)[NH+]1CCCCC1 ZINC000746981004 1277957232 /nfs/dbraw/zinc/95/72/32/1277957232.db2.gz FYADHTRIRSHFAV-MRXNPFEDSA-N 1 0 344.503 2.743 20 10 EFCDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000746983159 1277963349 /nfs/dbraw/zinc/96/33/49/1277963349.db2.gz UILANUMHINAFMN-MRXNPFEDSA-N 1 0 344.503 2.600 20 10 EFCDRO CCN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)cc1 ZINC000815119900 1287314628 /nfs/dbraw/zinc/31/46/28/1287314628.db2.gz KCUAWEJPVPNJQA-DFQSSKMNSA-N 1 0 329.488 2.879 20 10 EFCDRO CCN(C)c1ccc(C[NH2+][C@@H](C(N)=O)[C@@H](C)c2ccccc2)cc1 ZINC000815121849 1287314965 /nfs/dbraw/zinc/31/49/65/1287314965.db2.gz YVFIPJHTYUPVEP-HNAYVOBHSA-N 1 0 325.456 2.890 20 10 EFCDRO O=C(C1=CC(=O)CS1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792684080 1279086293 /nfs/dbraw/zinc/08/62/93/1279086293.db2.gz XJNLWXLAGFEGNN-GASCZTMLSA-N 1 0 328.437 2.658 20 10 EFCDRO COc1cc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(C)C)cc(OC)n1 ZINC001134870877 1287326278 /nfs/dbraw/zinc/32/62/78/1287326278.db2.gz BHSLFSRKMUKZQC-KBPBESRZSA-N 1 0 337.464 2.631 20 10 EFCDRO COc1ccc(CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)c(O)c1 ZINC000792791039 1279153788 /nfs/dbraw/zinc/15/37/88/1279153788.db2.gz XUCYUQJINUGUKF-CQSZACIVSA-N 1 0 349.456 2.564 20 10 EFCDRO COc1ccc(CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(O)c1 ZINC000792797671 1279159706 /nfs/dbraw/zinc/15/97/06/1279159706.db2.gz ZIYNHAIEMXVQIG-OAHLLOKOSA-N 1 0 349.456 2.564 20 10 EFCDRO COc1ccc(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(O)c1 ZINC000792778354 1279170877 /nfs/dbraw/zinc/17/08/77/1279170877.db2.gz NZJDAIQUAMGIFF-UHFFFAOYSA-N 1 0 335.448 2.509 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)CCN2CCOCC2)c(C(F)(F)F)c1 ZINC000792812931 1279179925 /nfs/dbraw/zinc/17/99/25/1279179925.db2.gz WSHACDWBOXQJBG-UHFFFAOYSA-N 1 0 345.409 2.535 20 10 EFCDRO COC(=O)C(C)(C)CC[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000792920777 1279277219 /nfs/dbraw/zinc/27/72/19/1279277219.db2.gz BMTCQXHRCNHOBV-UHFFFAOYSA-N 1 0 336.501 2.919 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000103595252 1279299116 /nfs/dbraw/zinc/29/91/16/1279299116.db2.gz KLLVBQYZFBIKTE-CQSZACIVSA-N 1 0 337.464 2.880 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)COCC2CC2)c(C(F)(F)F)c1 ZINC000792954745 1279303466 /nfs/dbraw/zinc/30/34/66/1279303466.db2.gz QECUAZCOXJVCST-OAHLLOKOSA-N 1 0 346.393 2.649 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(=O)[nH]n3)CC2)cc1 ZINC000796741318 1279314026 /nfs/dbraw/zinc/31/40/26/1279314026.db2.gz CMMNTKNQLOHMCA-ZDUSSCGKSA-N 1 0 328.416 2.510 20 10 EFCDRO COc1ccc(CNC(=O)NCCC[NH+](C(C)C)C(C)C)c(O)c1 ZINC000792988617 1279316175 /nfs/dbraw/zinc/31/61/75/1279316175.db2.gz GEQVRTWJRHJFOX-UHFFFAOYSA-N 1 0 337.464 2.709 20 10 EFCDRO O=C(NCc1cc(Cl)ccc1O)NC1CC[NH+](CC2CC2)CC1 ZINC000844898428 1279322172 /nfs/dbraw/zinc/32/21/72/1279322172.db2.gz KUMYBTYHLWVHNG-UHFFFAOYSA-N 1 0 337.851 2.719 20 10 EFCDRO C[C@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1CC[NH3+] ZINC000844902606 1279323908 /nfs/dbraw/zinc/32/39/08/1279323908.db2.gz SYGCDSXRFLBGAP-GWCFXTLKSA-N 1 0 327.812 2.903 20 10 EFCDRO C[C@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]1CC[NH3+] ZINC000844902607 1279324862 /nfs/dbraw/zinc/32/48/62/1279324862.db2.gz SYGCDSXRFLBGAP-GXFFZTMASA-N 1 0 327.812 2.903 20 10 EFCDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)C1 ZINC000844901888 1279325153 /nfs/dbraw/zinc/32/51/53/1279325153.db2.gz IELBGFCHKBORAF-DJSGYFEHSA-N 1 0 342.842 2.903 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(O)CCSC2)c(C(F)(F)F)c1 ZINC000793007587 1279325382 /nfs/dbraw/zinc/32/53/82/1279325382.db2.gz DUPGBAFQAKERFA-AWEZNQCLSA-N 1 0 334.407 2.729 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CCNc2cnccn2)c(C(F)(F)F)c1 ZINC000793009607 1279325803 /nfs/dbraw/zinc/32/58/03/1279325803.db2.gz LRPDYNWEONURPY-UHFFFAOYSA-N 1 0 339.365 2.763 20 10 EFCDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1cc(Cl)ccc1O ZINC000844914279 1279334136 /nfs/dbraw/zinc/33/41/36/1279334136.db2.gz GJXFZHBZCJRUDR-QWHCGFSZSA-N 1 0 339.867 2.965 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c(C(F)(F)F)c1 ZINC000793047329 1279340242 /nfs/dbraw/zinc/34/02/42/1279340242.db2.gz JVQFLTLCSADFGQ-GFCCVEGCSA-N 1 0 341.377 2.624 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CCc2ccnn2C)c(C(F)(F)F)c1 ZINC000793082579 1279361156 /nfs/dbraw/zinc/36/11/56/1279361156.db2.gz MOUUDCPHJLRICS-UHFFFAOYSA-N 1 0 326.366 2.837 20 10 EFCDRO CO[C@]1(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCOC1 ZINC000793083142 1279362496 /nfs/dbraw/zinc/36/24/96/1279362496.db2.gz ZBRMCSQBNJRDNI-HNNXBMFYSA-N 1 0 332.366 2.667 20 10 EFCDRO C[NH+]1CCC(CCNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000844951032 1279373299 /nfs/dbraw/zinc/37/32/99/1279373299.db2.gz CENZFLJZFOTZEY-UHFFFAOYSA-N 1 0 325.840 2.577 20 10 EFCDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845023367 1279400709 /nfs/dbraw/zinc/40/07/09/1279400709.db2.gz UBAGRUVWMJQYCM-UONOGXRCSA-N 1 0 325.840 2.718 20 10 EFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1cc(Cl)ccc1O ZINC000845045364 1279412805 /nfs/dbraw/zinc/41/28/05/1279412805.db2.gz STNVYEWSWHMUNA-AWEZNQCLSA-N 1 0 325.840 2.719 20 10 EFCDRO CC(C)(CNC(=O)NCc1cc(Cl)ccc1O)C[NH+]1CCCC1 ZINC000845147634 1279462342 /nfs/dbraw/zinc/46/23/42/1279462342.db2.gz LRWUFRPMPYZMCX-UHFFFAOYSA-N 1 0 339.867 2.967 20 10 EFCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2c(O)cccc2OC)s1 ZINC000793206136 1279466350 /nfs/dbraw/zinc/46/63/50/1279466350.db2.gz WJQFOZRKEBABEF-UHFFFAOYSA-N 1 0 341.454 2.546 20 10 EFCDRO O=c1cc2[nH]c([NH2+]Cc3cc(Br)ccc3O)ccc-2[nH]1 ZINC001171177882 1279584170 /nfs/dbraw/zinc/58/41/70/1279584170.db2.gz LWPBZZOFNLWTGR-UHFFFAOYSA-N 1 0 334.173 2.656 20 10 EFCDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)n(C)n1 ZINC000793523946 1279716230 /nfs/dbraw/zinc/71/62/30/1279716230.db2.gz QUPDQICCJNCCGK-CQSZACIVSA-N 1 0 346.450 2.680 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)c(O)c1 ZINC001144499828 1279741842 /nfs/dbraw/zinc/74/18/42/1279741842.db2.gz KLSUXZYXESLQSZ-QPJJXVBHSA-N 1 0 340.423 2.634 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c(O)c1 ZINC001144509194 1279768998 /nfs/dbraw/zinc/76/89/98/1279768998.db2.gz ONJZSFFQLAJXRY-MAUKXSAKSA-N 1 0 340.423 2.510 20 10 EFCDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000793609533 1279772526 /nfs/dbraw/zinc/77/25/26/1279772526.db2.gz LTURWXQYWYSBJF-RDTXWAMCSA-N 1 0 343.423 2.911 20 10 EFCDRO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144514830 1279774402 /nfs/dbraw/zinc/77/44/02/1279774402.db2.gz UFIQOSFZKPCZAH-BNLOLNQZSA-N 1 0 349.427 2.746 20 10 EFCDRO Cc1ccc([C@]2(C)C[N@H+](Cc3c(O)cc(O)cc3O)CCO2)cc1 ZINC001144514767 1279774715 /nfs/dbraw/zinc/77/47/15/1279774715.db2.gz RJEIMLIVQDDYPP-IBGZPJMESA-N 1 0 329.396 2.859 20 10 EFCDRO C[N@H+](CCCCNC(=O)OC(C)(C)C)Cc1c(O)cc(O)cc1O ZINC001144515450 1279778064 /nfs/dbraw/zinc/77/80/64/1279778064.db2.gz OZFNDXUVTFOWCX-UHFFFAOYSA-N 1 0 340.420 2.540 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])c1 ZINC000845971750 1279948029 /nfs/dbraw/zinc/94/80/29/1279948029.db2.gz CNQUIFLBDRQPSZ-JTQLQIEISA-N 1 0 348.355 2.874 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(N3CCCC3)nc2)c1 ZINC000845971799 1279948282 /nfs/dbraw/zinc/94/82/82/1279948282.db2.gz DILMTBITZGAPSF-ZDUSSCGKSA-N 1 0 328.416 2.642 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])c1 ZINC000845971752 1279948337 /nfs/dbraw/zinc/94/83/37/1279948337.db2.gz CNQUIFLBDRQPSZ-SNVBAGLBSA-N 1 0 348.355 2.874 20 10 EFCDRO C[NH+](C)C[C@H](CNC(=O)c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000846132307 1280031698 /nfs/dbraw/zinc/03/16/98/1280031698.db2.gz XODSYBNBLZDCPA-ZDUSSCGKSA-N 1 0 348.830 2.826 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)c1O ZINC000846148548 1280036642 /nfs/dbraw/zinc/03/66/42/1280036642.db2.gz GGRXKXKICLOQNF-CYBMUJFWSA-N 1 0 349.452 2.796 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)c1O ZINC000846150855 1280038252 /nfs/dbraw/zinc/03/82/52/1280038252.db2.gz RRNOTSFFVXTEAC-OLZOCXBDSA-N 1 0 331.391 2.864 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c1O ZINC000846153785 1280039445 /nfs/dbraw/zinc/03/94/45/1280039445.db2.gz KSCMLAGJIUVXKZ-GFCCVEGCSA-N 1 0 347.436 2.581 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)c1O ZINC000846164033 1280043196 /nfs/dbraw/zinc/04/31/96/1280043196.db2.gz LXSCUGVTJODQEL-ZDUSSCGKSA-N 1 0 330.432 2.752 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1O ZINC000846166804 1280043988 /nfs/dbraw/zinc/04/39/88/1280043988.db2.gz CWENBQMDNYBRHV-PMUMKWKESA-N 1 0 335.444 2.619 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]Cc2cc(C)nc(N3CCCC3)n2)c1O ZINC000846169589 1280046090 /nfs/dbraw/zinc/04/60/90/1280046090.db2.gz ICUVFLSSQXTGEI-CQSZACIVSA-N 1 0 342.443 2.950 20 10 EFCDRO COCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846135682 1280048968 /nfs/dbraw/zinc/04/89/68/1280048968.db2.gz FYPKDUWQNJJINQ-CYBMUJFWSA-N 1 0 344.411 2.837 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1O ZINC000846136117 1280049469 /nfs/dbraw/zinc/04/94/69/1280049469.db2.gz IOYNUENTBLRDOK-KKUMJFAQSA-N 1 0 336.476 2.939 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cncn2)c1O ZINC000846138136 1280049804 /nfs/dbraw/zinc/04/98/04/1280049804.db2.gz IKHYHANGTMALIM-CQSZACIVSA-N 1 0 338.411 2.891 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]CCNC(=O)c2ccc(C)c(F)c2)c1O ZINC000846139347 1280050149 /nfs/dbraw/zinc/05/01/49/1280050149.db2.gz RPJVZSVFYWJQNX-CYBMUJFWSA-N 1 0 346.402 2.929 20 10 EFCDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846139620 1280050162 /nfs/dbraw/zinc/05/01/62/1280050162.db2.gz YAJBPDACBDMALZ-MLGOLLRUSA-N 1 0 347.411 2.802 20 10 EFCDRO CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846142502 1280050856 /nfs/dbraw/zinc/05/08/56/1280050856.db2.gz AOCPKKINRUVQDK-ZDUSSCGKSA-N 1 0 328.412 2.654 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]CCc2cccc(C(=O)N(C)C)c2)c1O ZINC000846143078 1280051115 /nfs/dbraw/zinc/05/11/15/1280051115.db2.gz AOLCZBRKKZYQPC-CQSZACIVSA-N 1 0 342.439 2.996 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]CCNC(=O)c2ccc(F)cc2)c1O ZINC000846147060 1280052396 /nfs/dbraw/zinc/05/23/96/1280052396.db2.gz VGMMWWIMFYYDAG-GFCCVEGCSA-N 1 0 332.375 2.621 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c1O ZINC000846145509 1280052538 /nfs/dbraw/zinc/05/25/38/1280052538.db2.gz OELFYEURQFJCCZ-HOCLYGCPSA-N 1 0 334.460 2.695 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)N2CCC(OC)CC2)c1O ZINC000846146587 1280053523 /nfs/dbraw/zinc/05/35/23/1280053523.db2.gz RDYASNDVQMFMAW-CQSZACIVSA-N 1 0 336.476 2.941 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC1CC[NH2+]CC1 ZINC000846209611 1280057118 /nfs/dbraw/zinc/05/71/18/1280057118.db2.gz GAKDBKUJEIBYJY-UHFFFAOYSA-N 1 0 332.492 2.674 20 10 EFCDRO C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc(Br)cc1O ZINC000846215207 1280071992 /nfs/dbraw/zinc/07/19/92/1280071992.db2.gz ZDBNQOPRQHULJE-NHYWBVRUSA-N 1 0 344.249 2.737 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(=O)n3ccccc3n2)c2c1c(F)ccc2O ZINC000846212716 1280085119 /nfs/dbraw/zinc/08/51/19/1280085119.db2.gz FNFBWBNXLLLFFW-RISCZKNCSA-N 1 0 339.370 2.877 20 10 EFCDRO COc1ccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c(O)c1 ZINC000794378251 1280161085 /nfs/dbraw/zinc/16/10/85/1280161085.db2.gz ZLSPOTKJUDZIBU-UHFFFAOYSA-N 1 0 340.423 2.927 20 10 EFCDRO O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCN1Cc1ccccn1 ZINC000846475771 1280191561 /nfs/dbraw/zinc/19/15/61/1280191561.db2.gz IYGSKLRGQIPUOP-INIZCTEOSA-N 1 0 345.830 2.721 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3nccs3)C2)cc1C ZINC001091297765 1280294426 /nfs/dbraw/zinc/29/44/26/1280294426.db2.gz VXWRAPXAXFDYGE-UHFFFAOYSA-N 1 0 345.468 2.758 20 10 EFCDRO Cc1[nH]c2ccccc2c1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000846662940 1280379631 /nfs/dbraw/zinc/37/96/31/1280379631.db2.gz BRTBXEBKIKOSKJ-KRWDZBQOSA-N 1 0 336.439 2.972 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000846663801 1280380684 /nfs/dbraw/zinc/38/06/84/1280380684.db2.gz OOMRNPAXTPAMFU-SFHVURJKSA-N 1 0 336.439 2.593 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cn2ccc3ccccc32)cc1 ZINC000846663925 1280380733 /nfs/dbraw/zinc/38/07/33/1280380733.db2.gz RWONYOJDDUJFCU-SFHVURJKSA-N 1 0 336.439 2.524 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)c2ccc(C)o2)cc1C ZINC001134957982 1287418574 /nfs/dbraw/zinc/41/85/74/1287418574.db2.gz MJOGZWMXOPBALS-HNNXBMFYSA-N 1 0 330.428 2.915 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)[C@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000846672730 1280395124 /nfs/dbraw/zinc/39/51/24/1280395124.db2.gz JTGGJVNLQXTFCG-SFHVURJKSA-N 1 0 329.488 2.929 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000846672729 1280395376 /nfs/dbraw/zinc/39/53/76/1280395376.db2.gz JTGGJVNLQXTFCG-GOSISDBHSA-N 1 0 329.488 2.929 20 10 EFCDRO C[C@@H]1C[C@H]([NH3+])CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000846703144 1280432812 /nfs/dbraw/zinc/43/28/12/1280432812.db2.gz LSDQJPBHVHYRQI-GDBMZVCRSA-N 1 0 332.448 2.897 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CC1(Br)CC1 ZINC000846765938 1280468212 /nfs/dbraw/zinc/46/82/12/1280468212.db2.gz FXUJSNVJZGGSAL-UHFFFAOYSA-N 1 0 339.277 2.883 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2nc(C)sc2C)cc1C ZINC001130129080 1280484545 /nfs/dbraw/zinc/48/45/45/1280484545.db2.gz RAHKOPRZGCYHNV-UHFFFAOYSA-N 1 0 333.457 2.597 20 10 EFCDRO CCN(C)c1ccc(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)cc1 ZINC000846931158 1280624818 /nfs/dbraw/zinc/62/48/18/1280624818.db2.gz YHBJGWAZQSPIBN-SFHVURJKSA-N 1 0 329.488 2.879 20 10 EFCDRO COCC1(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001134992895 1287445034 /nfs/dbraw/zinc/44/50/34/1287445034.db2.gz CGZJSUDBZHZYKT-CVEARBPZSA-N 1 0 348.487 2.803 20 10 EFCDRO C[C@H](C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCCF ZINC001146664793 1280967312 /nfs/dbraw/zinc/96/73/12/1280967312.db2.gz UHWXNMOBOJLLCK-NEPJUHHUSA-N 1 0 337.399 2.695 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)cc1C ZINC001146776003 1281029413 /nfs/dbraw/zinc/02/94/13/1281029413.db2.gz BGDUIYKQBGXLBZ-IEBWSBKVSA-N 1 0 348.487 2.661 20 10 EFCDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)NCc1ccccc1O)c1ccco1 ZINC000806645044 1281121605 /nfs/dbraw/zinc/12/16/05/1281121605.db2.gz RGVNURNGRCOZOE-ZFWWWQNUSA-N 1 0 331.416 2.914 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc(C(C)(C)C)n[nH]2)cc1C ZINC001130732637 1281139682 /nfs/dbraw/zinc/13/96/82/1281139682.db2.gz ZMDMMDRVYBUASB-UHFFFAOYSA-N 1 0 344.459 2.544 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000806820023 1281158596 /nfs/dbraw/zinc/15/85/96/1281158596.db2.gz AUJJHZYLVWOSQV-APWZRJJASA-N 1 0 344.503 2.829 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000103604103 1281306531 /nfs/dbraw/zinc/30/65/31/1281306531.db2.gz QXNILDNSSIXTIX-KGLIPLIRSA-N 1 0 335.448 2.635 20 10 EFCDRO O=C(NCC1CC[NH+](C2CCCCC2)CC1)c1cccc(O)c1O ZINC001148220226 1281456573 /nfs/dbraw/zinc/45/65/73/1281456573.db2.gz ZMSXGNZBKXDTJY-UHFFFAOYSA-N 1 0 332.444 2.872 20 10 EFCDRO NC(=O)C[C@@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000808228651 1281598300 /nfs/dbraw/zinc/59/83/00/1281598300.db2.gz KBJWHOVEWHSWNO-LBPRGKRZSA-N 1 0 328.412 2.715 20 10 EFCDRO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)ccc1N1CCCCC1 ZINC000872266406 1287511693 /nfs/dbraw/zinc/51/16/93/1287511693.db2.gz FZGXIPGWRVNUCQ-IYBDPMFKSA-N 1 0 331.416 2.663 20 10 EFCDRO Oc1ccc([C@H](O)C[NH2+][C@H]2CCc3c(F)cc(F)cc3C2)cc1O ZINC001171334501 1281645494 /nfs/dbraw/zinc/64/54/94/1281645494.db2.gz SQAVVBUBMANYNU-SCLBCKFNSA-N 1 0 335.350 2.557 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(NC(N)=[NH2+])cc1 ZINC001148646163 1281669480 /nfs/dbraw/zinc/66/94/80/1281669480.db2.gz PFJGEPFRFXJAFJ-UHFFFAOYSA-N 1 0 339.443 2.720 20 10 EFCDRO COc1ccc(N2CCCN(C(=O)[C@@H]3CCCCC[C@@H]3[NH3+])CC2)cc1 ZINC000872279446 1287518790 /nfs/dbraw/zinc/51/87/90/1287518790.db2.gz HWUNUKMHVZGLTA-MOPGFXCFSA-N 1 0 345.487 2.642 20 10 EFCDRO Cn1cnc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000808391650 1281698605 /nfs/dbraw/zinc/69/86/05/1281698605.db2.gz PIAZFLVDBHSXRE-CYBMUJFWSA-N 1 0 336.386 2.780 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2c(C)cncc2C)cc1C ZINC001131298957 1281725629 /nfs/dbraw/zinc/72/56/29/1281725629.db2.gz CNLDYCLVGTWCSF-UHFFFAOYSA-N 1 0 327.428 2.535 20 10 EFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)c1O ZINC000808707770 1281867818 /nfs/dbraw/zinc/86/78/18/1281867818.db2.gz YFJINIYFENMXRX-NHYWBVRUSA-N 1 0 348.834 2.544 20 10 EFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](C)CN2CCOCC2)c1O ZINC000808697890 1281876794 /nfs/dbraw/zinc/87/67/94/1281876794.db2.gz YGHRJZXVYKUVOE-GXTWGEPZSA-N 1 0 326.868 2.973 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)Cc2sc(C)nc2C)cc1C ZINC001131551301 1282023201 /nfs/dbraw/zinc/02/32/01/1282023201.db2.gz LCJMEEUPVSQTSE-UHFFFAOYSA-N 1 0 347.484 2.525 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2c(C)cc(C)nc2C)cc1C ZINC001131560346 1282033562 /nfs/dbraw/zinc/03/35/62/1282033562.db2.gz JNNFROXBHWUCPO-UHFFFAOYSA-N 1 0 341.455 2.843 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C(F)F)cc1C ZINC001087107234 1282086541 /nfs/dbraw/zinc/08/65/41/1282086541.db2.gz MLXQMDDFSDPXDZ-DOMZBBRYSA-N 1 0 340.414 2.985 20 10 EFCDRO C[N@H+](CC(=O)NC1CC1)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809540527 1282274492 /nfs/dbraw/zinc/27/44/92/1282274492.db2.gz WNUACKAAGVAYDR-UHFFFAOYSA-N 1 0 349.478 2.960 20 10 EFCDRO COCC[N@H+](CCO)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809566178 1282283623 /nfs/dbraw/zinc/28/36/23/1282283623.db2.gz DJAGOUXJNBJYIM-UHFFFAOYSA-N 1 0 340.467 2.690 20 10 EFCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809698524 1282383572 /nfs/dbraw/zinc/38/35/72/1282383572.db2.gz ZGPROFQTERZZHG-WKKSIBQESA-N 1 0 346.446 2.518 20 10 EFCDRO CC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccccc1O ZINC000809701383 1282388553 /nfs/dbraw/zinc/38/85/53/1282388553.db2.gz FGZPCZTXVSMECK-BPUTZDHNSA-N 1 0 340.489 2.541 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)cc1 ZINC000809700944 1282389838 /nfs/dbraw/zinc/38/98/38/1282389838.db2.gz RPXXTYQPIIYAET-YLJYHZDGSA-N 1 0 331.504 2.828 20 10 EFCDRO C[NH+](C)CCN(Cc1ccccc1F)Cc1cc2c(cc1O)OCO2 ZINC000809733128 1282411210 /nfs/dbraw/zinc/41/12/10/1282411210.db2.gz WXEOYAKQUOGMDK-UHFFFAOYSA-N 1 0 346.402 2.824 20 10 EFCDRO CCOc1cccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1O ZINC000809735261 1282414067 /nfs/dbraw/zinc/41/40/67/1282414067.db2.gz XYTJAWXGWLRMHI-UHFFFAOYSA-N 1 0 331.372 2.664 20 10 EFCDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809704040 1282416054 /nfs/dbraw/zinc/41/60/54/1282416054.db2.gz UFUBKOLRXDHADP-FUHWJXTLSA-N 1 0 347.478 2.721 20 10 EFCDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2cccc(C)c2O)s1 ZINC000809721294 1282426414 /nfs/dbraw/zinc/42/64/14/1282426414.db2.gz PFIUMHTXNCFEGO-NEPJUHHUSA-N 1 0 348.472 2.867 20 10 EFCDRO C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000809767653 1282430579 /nfs/dbraw/zinc/43/05/79/1282430579.db2.gz QHTWICGIPMOWDM-BXUZGUMPSA-N 1 0 339.823 2.870 20 10 EFCDRO CC(C)OC[C@@H](CO)[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809768681 1282430762 /nfs/dbraw/zinc/43/07/62/1282430762.db2.gz SUJUODRVRQMSMD-OAHLLOKOSA-N 1 0 348.409 2.989 20 10 EFCDRO Cc1cc(Br)cc(C[N@@H+](C)[C@H](CO)COC(C)C)c1O ZINC000809768350 1282431193 /nfs/dbraw/zinc/43/11/93/1282431193.db2.gz ISBWBHGDNGSWNC-CQSZACIVSA-N 1 0 346.265 2.681 20 10 EFCDRO COc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(OC)c2O)c1 ZINC000809740316 1282439620 /nfs/dbraw/zinc/43/96/20/1282439620.db2.gz UCQPLKPYLNTZBI-ZDUSSCGKSA-N 1 0 344.411 2.916 20 10 EFCDRO O[C@H](CC[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000809747736 1282447399 /nfs/dbraw/zinc/44/73/99/1282447399.db2.gz VGNZVPIYGGPOGY-HXUWFJFHSA-N 1 0 326.440 2.737 20 10 EFCDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809757467 1282458885 /nfs/dbraw/zinc/45/88/85/1282458885.db2.gz NEXOAXXVBYSNAY-IBGZPJMESA-N 1 0 336.451 2.789 20 10 EFCDRO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809765347 1282465196 /nfs/dbraw/zinc/46/51/96/1282465196.db2.gz OEDRNCBDQJFVBN-KRWDZBQOSA-N 1 0 349.478 2.960 20 10 EFCDRO N[C@H](c1ccccc1O)[C@H]([NH2+][C@@H]1CCCOCC1)c1ccccc1O ZINC001170792421 1287601741 /nfs/dbraw/zinc/60/17/41/1287601741.db2.gz MWXXDZHXBFXDJI-JSNMRZPZSA-N 1 0 342.439 2.998 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+]CCc2cn[nH]c2)ccc1N1CCCCC1 ZINC000810166285 1282963105 /nfs/dbraw/zinc/96/31/05/1282963105.db2.gz QLFBANLVHLXOMP-UHFFFAOYSA-N 1 0 329.404 2.641 20 10 EFCDRO CC[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(C(F)(F)F)cc1O ZINC000810220271 1283047678 /nfs/dbraw/zinc/04/76/78/1283047678.db2.gz TUJBZOYAKKYGDA-UKRRQHHQSA-N 1 0 343.349 2.919 20 10 EFCDRO CC[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(C(F)(F)F)cc1O ZINC000810220269 1283047783 /nfs/dbraw/zinc/04/77/83/1283047783.db2.gz TUJBZOYAKKYGDA-DZGCQCFKSA-N 1 0 343.349 2.919 20 10 EFCDRO CCCCC[N@@H+]1C[C@H](NC(=O)c2cc(OC)nc(OC)c2)CC[C@H]1C ZINC001132157279 1283061588 /nfs/dbraw/zinc/06/15/88/1283061588.db2.gz NIQCCOWIFAVDTM-GDBMZVCRSA-N 1 0 349.475 2.872 20 10 EFCDRO CC[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1ccc(C(F)(F)F)cc1O ZINC000810238653 1283090362 /nfs/dbraw/zinc/09/03/62/1283090362.db2.gz RRKOSTKXFQLCJY-VZJVUDMVSA-N 1 0 333.350 2.992 20 10 EFCDRO CS(=O)(=O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815571078 1287627579 /nfs/dbraw/zinc/62/75/79/1287627579.db2.gz UBWYMXBCNVJELA-QGZVFWFLSA-N 1 0 333.453 2.700 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2csnn2)cc1C ZINC001135106725 1287629630 /nfs/dbraw/zinc/62/96/30/1287629630.db2.gz QFNKYUVXWDJPQR-CHWSQXEVSA-N 1 0 348.472 2.542 20 10 EFCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c(O)c1 ZINC000815573659 1287631088 /nfs/dbraw/zinc/63/10/88/1287631088.db2.gz PUDIJCUBIUCXGF-DLBZAZTESA-N 1 0 347.503 2.602 20 10 EFCDRO C[C@H]1CN(c2ccc(NCc3cc4ccccc4cc3O)nn2)CC[NH2+]1 ZINC001171399774 1283350692 /nfs/dbraw/zinc/35/06/92/1283350692.db2.gz LJBPQBWRKYBFRM-AWEZNQCLSA-N 1 0 349.438 2.746 20 10 EFCDRO CN(C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1F ZINC000747658105 1283843694 /nfs/dbraw/zinc/84/36/94/1283843694.db2.gz KNJYDIUSKLEQHD-GOSISDBHSA-N 1 0 333.451 2.915 20 10 EFCDRO COCCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001132582523 1283951928 /nfs/dbraw/zinc/95/19/28/1283951928.db2.gz RPLZDIVPXQMKAU-QAPCUYQASA-N 1 0 348.487 2.614 20 10 EFCDRO CCOCC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001132613453 1284008616 /nfs/dbraw/zinc/00/86/16/1284008616.db2.gz HBWPMLSKFYMOMV-MAUKXSAKSA-N 1 0 348.487 2.614 20 10 EFCDRO COc1ccc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c(C(N)=O)c1 ZINC001170629880 1284172467 /nfs/dbraw/zinc/17/24/67/1284172467.db2.gz KWEJJQHMUXHHHQ-UHFFFAOYSA-N 1 0 343.471 2.528 20 10 EFCDRO [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000715779455 1284330107 /nfs/dbraw/zinc/33/01/07/1284330107.db2.gz PFJZZKZVJHVHTP-SNVBAGLBSA-N 1 0 343.240 2.868 20 10 EFCDRO COc1cccc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CC2)c1O ZINC000811511594 1284390148 /nfs/dbraw/zinc/39/01/48/1284390148.db2.gz OEJPIILYTWCCPF-OAHLLOKOSA-N 1 0 334.416 2.644 20 10 EFCDRO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c(C)n1-c1ccccn1 ZINC000811601777 1284449331 /nfs/dbraw/zinc/44/93/31/1284449331.db2.gz OLOAOTFAUQCMBJ-AWEZNQCLSA-N 1 0 328.460 2.948 20 10 EFCDRO CC[C@@H](F)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001093970476 1284658799 /nfs/dbraw/zinc/65/87/99/1284658799.db2.gz LRAGFSNAPCPCAS-DJIMGWMZSA-N 1 0 336.451 2.936 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)Cc2c(F)cccc2F)cc1C ZINC001133054351 1284698294 /nfs/dbraw/zinc/69/82/94/1284698294.db2.gz JXBZUKRPRXYYMG-UHFFFAOYSA-N 1 0 348.393 2.730 20 10 EFCDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000811884194 1284729041 /nfs/dbraw/zinc/72/90/41/1284729041.db2.gz BGBJZINSCPYVIA-QGZVFWFLSA-N 1 0 344.503 2.982 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC34CC4)C[C@H]2C)cc1C ZINC001094071136 1284755987 /nfs/dbraw/zinc/75/59/87/1284755987.db2.gz YTNXYIBDNIWPTP-NXHRZFHOSA-N 1 0 342.483 2.988 20 10 EFCDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000811931175 1284756836 /nfs/dbraw/zinc/75/68/36/1284756836.db2.gz VUWLRLQIZMCHCF-HNNXBMFYSA-N 1 0 332.492 2.597 20 10 EFCDRO Oc1ccc([C@H](O)C[NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)cc1O ZINC001170654882 1284780714 /nfs/dbraw/zinc/78/07/14/1284780714.db2.gz MWPFGUBKCUWIRZ-FZKQIMNGSA-N 1 0 335.350 2.557 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(F)c(C)c2)cc1C ZINC001133164196 1284919791 /nfs/dbraw/zinc/91/97/91/1284919791.db2.gz RVINOSHEWFZXDO-UHFFFAOYSA-N 1 0 330.403 2.971 20 10 EFCDRO O=C(C[NH2+][C@H]1CCc2cc(F)cc(F)c2C1)c1ccc(O)c(O)c1 ZINC001170671513 1284980108 /nfs/dbraw/zinc/98/01/08/1284980108.db2.gz YYUUMYAJKDSAAC-ZDUSSCGKSA-N 1 0 333.334 2.706 20 10 EFCDRO Oc1cc(O)c(CC[NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)cc1O ZINC001170667794 1284981433 /nfs/dbraw/zinc/98/14/33/1284981433.db2.gz YGQKPXAVNUKHRX-CYBMUJFWSA-N 1 0 335.350 2.771 20 10 EFCDRO C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C[NH2+]CCF ZINC001133353537 1285247161 /nfs/dbraw/zinc/24/71/61/1285247161.db2.gz DLTAMYBQRLBJHS-GXTWGEPZSA-N 1 0 349.410 2.506 20 10 EFCDRO CN(C)c1ccc(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc1 ZINC000812778284 1285410412 /nfs/dbraw/zinc/41/04/12/1285410412.db2.gz ISSQCAGLYZOPLO-FQEVSTJZSA-N 1 0 325.456 2.931 20 10 EFCDRO COc1cccc(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1O ZINC000812778093 1285411475 /nfs/dbraw/zinc/41/14/75/1285411475.db2.gz GODFVJYDGDBGPX-KRWDZBQOSA-N 1 0 328.412 2.580 20 10 EFCDRO O=C1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1c1ccccc1F ZINC000812783017 1285416671 /nfs/dbraw/zinc/41/66/71/1285416671.db2.gz URSOBAHCGVFRJI-OAHLLOKOSA-N 1 0 326.371 2.656 20 10 EFCDRO Oc1cc(O)c(CC[NH2+][C@H]2CCc3cc(F)c(F)cc3C2)cc1O ZINC001171454604 1285555133 /nfs/dbraw/zinc/55/51/33/1285555133.db2.gz VNKMNGAOPNNLNS-ZDUSSCGKSA-N 1 0 335.350 2.771 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2cc(C)on2)cc1C ZINC001133602122 1285645579 /nfs/dbraw/zinc/64/55/79/1285645579.db2.gz BTMPINIQQYKIJT-UONOGXRCSA-N 1 0 345.443 2.987 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2cc(C)on2)cc1C ZINC001133602121 1285645598 /nfs/dbraw/zinc/64/55/98/1285645598.db2.gz BTMPINIQQYKIJT-KGLIPLIRSA-N 1 0 345.443 2.987 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)C2CC2)C3)cc1C ZINC001094829787 1285665839 /nfs/dbraw/zinc/66/58/39/1285665839.db2.gz DQQVWCDEYYXHJS-SZMVWBNQSA-N 1 0 328.456 2.883 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2cc(C)no2)cc1C ZINC001133653175 1285751900 /nfs/dbraw/zinc/75/19/00/1285751900.db2.gz MKUKVHKXKZNIGN-KGLIPLIRSA-N 1 0 345.443 2.987 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2cc(C)no2)cc1C ZINC001133653176 1285752403 /nfs/dbraw/zinc/75/24/03/1285752403.db2.gz MKUKVHKXKZNIGN-UONOGXRCSA-N 1 0 345.443 2.987 20 10 EFCDRO Fc1cccc2c1C[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC001171773589 1285779265 /nfs/dbraw/zinc/77/92/65/1285779265.db2.gz MKPIUPMQAVFVQS-KRWDZBQOSA-N 1 0 326.415 2.919 20 10 EFCDRO COc1ccc(C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC001171858816 1285860325 /nfs/dbraw/zinc/86/03/25/1285860325.db2.gz XHOAWKKYZLQMIX-UHFFFAOYSA-N 1 0 342.439 2.922 20 10 EFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(CO)c3)c2)CC1 ZINC000813519831 1285959944 /nfs/dbraw/zinc/95/99/44/1285959944.db2.gz CCUSMWBEDLIGQF-UHFFFAOYSA-N 1 0 339.439 2.573 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2ccon2)cc1C ZINC001133821031 1285978100 /nfs/dbraw/zinc/97/81/00/1285978100.db2.gz MFMMDYSEDLVROS-UONOGXRCSA-N 1 0 331.416 2.678 20 10 EFCDRO CCN1CC[C@H]([N@@H+]2CCc3c(c4cc(OC)ccc4n3C)C2)CC1=O ZINC001172043143 1285986163 /nfs/dbraw/zinc/98/61/63/1285986163.db2.gz MQHVEOXSGILTQL-AWEZNQCLSA-N 1 0 341.455 2.556 20 10 EFCDRO Cc1cc(CN2C[C@H]([NH3+])CC(F)(F)C2)c(O)cc1Br ZINC001206155948 1286002187 /nfs/dbraw/zinc/00/21/87/1286002187.db2.gz NGQLIRNHLASDME-SNVBAGLBSA-N 1 0 335.192 2.631 20 10 EFCDRO C[NH+](C)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000813617900 1286026364 /nfs/dbraw/zinc/02/63/64/1286026364.db2.gz FECWNYMPWNSEGQ-WJXUGBSRSA-N 1 0 344.386 2.669 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2ncoc2C)cc1C ZINC001133848081 1286027756 /nfs/dbraw/zinc/02/77/56/1286027756.db2.gz GOJZXHOLUPEYSP-KBPBESRZSA-N 1 0 345.443 2.987 20 10 EFCDRO CC1(C)C[C@@H](N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)CO1 ZINC001172279406 1286077972 /nfs/dbraw/zinc/07/79/72/1286077972.db2.gz MRAJCDOWSYXPCZ-UPRAQXHNSA-N 1 0 342.439 2.996 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2cnc(C)[nH]2)cc1C ZINC001133917372 1286113400 /nfs/dbraw/zinc/11/34/00/1286113400.db2.gz VFGZBTFVNLMJOQ-ZIAGYGMSSA-N 1 0 344.459 2.722 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2cnc(C)[nH]2)cc1C ZINC001133917370 1286113832 /nfs/dbraw/zinc/11/38/32/1286113832.db2.gz VFGZBTFVNLMJOQ-KGLIPLIRSA-N 1 0 344.459 2.722 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+]Cc2cc3ccccc3n(C)c2=O)c1 ZINC000813790153 1286120122 /nfs/dbraw/zinc/12/01/22/1286120122.db2.gz JTMSFTFWTTXZLB-UHFFFAOYSA-N 1 0 338.407 2.933 20 10 EFCDRO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c(O)c1O ZINC000813828391 1286131361 /nfs/dbraw/zinc/13/13/61/1286131361.db2.gz RXUFBBGACBDZFN-YOEHRIQHSA-N 1 0 340.423 2.799 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C(=O)C(C)(C)C)cc1C ZINC001133932782 1286136907 /nfs/dbraw/zinc/13/69/07/1286136907.db2.gz PLYHYBIEROTTGS-CABCVRRESA-N 1 0 348.487 2.992 20 10 EFCDRO COC(=O)[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001172616315 1286206038 /nfs/dbraw/zinc/20/60/38/1286206038.db2.gz LIOVFWXQMJRVLU-IEBWSBKVSA-N 1 0 346.471 2.687 20 10 EFCDRO COC(=O)[C@H]1CCC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001172616313 1286206429 /nfs/dbraw/zinc/20/64/29/1286206429.db2.gz LIOVFWXQMJRVLU-HKUYNNGSSA-N 1 0 346.471 2.687 20 10 EFCDRO COC(=O)[C@H]1CCC[C@@H]([NH+]2CCN(c3ccc(OC)cc3C)CC2)C1 ZINC001172638358 1286215812 /nfs/dbraw/zinc/21/58/12/1286215812.db2.gz WTNNVXHROHJPSV-DLBZAZTESA-N 1 0 346.471 2.857 20 10 EFCDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001172764564 1286268593 /nfs/dbraw/zinc/26/85/93/1286268593.db2.gz FCIFMACNQXFVTA-QZTJIDSGSA-N 1 0 346.471 2.735 20 10 EFCDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000814171340 1286353154 /nfs/dbraw/zinc/35/31/54/1286353154.db2.gz LBKKCRYNPNDGKJ-FQEVSTJZSA-N 1 0 341.407 2.718 20 10 EFCDRO Fc1cc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)ccc1N1CCOCC1 ZINC000814178572 1286361955 /nfs/dbraw/zinc/36/19/55/1286361955.db2.gz VROQXJOPNPXGLP-SFHVURJKSA-N 1 0 348.462 2.911 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@H]3CCC[C@H](OC)C3)CC2)c(OC)c1 ZINC001172949125 1286368097 /nfs/dbraw/zinc/36/80/97/1286368097.db2.gz IWIDERVCVKTWLQ-HOTGVXAUSA-N 1 0 334.460 2.783 20 10 EFCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1(CO)CCC1 ZINC000814169789 1286372822 /nfs/dbraw/zinc/37/28/22/1286372822.db2.gz MIXXTWMVEMIGAD-LJQANCHMSA-N 1 0 332.488 2.800 20 10 EFCDRO O=C(c1ccc(F)cc1)N1CCC([NH2+]Cc2ccc(O)c(O)c2)CC1 ZINC001172996236 1286390534 /nfs/dbraw/zinc/39/05/34/1286390534.db2.gz XOMPJYJUEPBDKN-UHFFFAOYSA-N 1 0 344.386 2.631 20 10 EFCDRO CCC[C@@H](C)C(=O)NCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000814300411 1286502583 /nfs/dbraw/zinc/50/25/83/1286502583.db2.gz JHULYFJAWPYPCN-MRXNPFEDSA-N 1 0 347.503 2.806 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(C)cc2F)cc1C ZINC001134295896 1286525694 /nfs/dbraw/zinc/52/56/94/1286525694.db2.gz CKYKJHUQCTYNQJ-UHFFFAOYSA-N 1 0 330.403 2.971 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C2Cc3ccccc3C2)cc1C ZINC001134281785 1286530627 /nfs/dbraw/zinc/53/06/27/1286530627.db2.gz VXFLGJLOWPPGGG-UHFFFAOYSA-N 1 0 338.451 2.624 20 10 EFCDRO CCOC(=O)[C@H]1CC12CCC([NH2+]CCc1ccc(O)c(O)c1)CC2 ZINC001173604754 1286713354 /nfs/dbraw/zinc/71/33/54/1286713354.db2.gz UEDKYSHCFDBVNA-XAUUPUKJSA-N 1 0 333.428 2.742 20 10 EFCDRO CCOC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001173629456 1286721518 /nfs/dbraw/zinc/72/15/18/1286721518.db2.gz YPUMRRCYEMWERF-MSOLQXFVSA-N 1 0 346.471 2.735 20 10 EFCDRO CCOC(=O)C[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001173629458 1286721991 /nfs/dbraw/zinc/72/19/91/1286721991.db2.gz YPUMRRCYEMWERF-ROUUACIJSA-N 1 0 346.471 2.735 20 10 EFCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173766327 1286784029 /nfs/dbraw/zinc/78/40/29/1286784029.db2.gz GZONJSUNDQMTJL-MSOLQXFVSA-N 1 0 328.464 2.745 20 10 EFCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173766328 1286784125 /nfs/dbraw/zinc/78/41/25/1286784125.db2.gz GZONJSUNDQMTJL-QZTJIDSGSA-N 1 0 328.464 2.745 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@@H](C)[C@H]2CCCO2)cc1C ZINC001174628779 1287084954 /nfs/dbraw/zinc/08/49/54/1287084954.db2.gz HAHTWOXAYCPZFQ-VQIMIIECSA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@H](C)[C@@H]2CCCO2)cc1C ZINC001174628777 1287085521 /nfs/dbraw/zinc/08/55/21/1287085521.db2.gz HAHTWOXAYCPZFQ-LPHOPBHVSA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2conc2C)cc1C ZINC001135367397 1287977151 /nfs/dbraw/zinc/97/71/51/1287977151.db2.gz NCUYYWVGGXQMOR-KBPBESRZSA-N 1 0 345.443 2.987 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2n[nH]cc2F)cc1C ZINC001135407225 1288001957 /nfs/dbraw/zinc/00/19/57/1288001957.db2.gz GCGVEUROCLFWSU-CHWSQXEVSA-N 1 0 348.422 2.553 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)CC[C@@H]2CC[C@H](C)O2)cc1C ZINC001176669578 1288063909 /nfs/dbraw/zinc/06/39/09/1288063909.db2.gz ZNQIWOLYYCHPPM-WMZOPIPTSA-N 1 0 348.487 2.947 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccc(C)nc2C)cc1C ZINC001176821556 1288136394 /nfs/dbraw/zinc/13/63/94/1288136394.db2.gz LPBNVECIAFCDOA-UHFFFAOYSA-N 1 0 341.455 2.925 20 10 EFCDRO O=C(N1CCCC1)N1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816483325 1288154199 /nfs/dbraw/zinc/15/41/99/1288154199.db2.gz OFBAYUCBBUSVTM-UHFFFAOYSA-N 1 0 339.439 2.879 20 10 EFCDRO Oc1c(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc2ccccc21 ZINC000816502450 1288173466 /nfs/dbraw/zinc/17/34/66/1288173466.db2.gz BKBCIZGRJWOYIO-OALUTQOASA-N 1 0 326.440 2.576 20 10 EFCDRO Cc1nc(CN2CC[NH+](Cc3ccc4ccccc4c3O)CC2)no1 ZINC000816506523 1288177880 /nfs/dbraw/zinc/17/78/80/1288177880.db2.gz FXPFPOVBHQSCAK-UHFFFAOYSA-N 1 0 338.411 2.555 20 10 EFCDRO Oc1c(C[NH2+]Cc2nnnn2-c2ccccc2)ccc2ccccc21 ZINC000816542510 1288197457 /nfs/dbraw/zinc/19/74/57/1288197457.db2.gz RLUYMXNKGDHWKQ-UHFFFAOYSA-N 1 0 331.379 2.811 20 10 EFCDRO COCCC(=O)N1CCC([NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816556992 1288210477 /nfs/dbraw/zinc/21/04/77/1288210477.db2.gz ZWIXAMDSNBRIMT-UHFFFAOYSA-N 1 0 342.439 2.663 20 10 EFCDRO COC(=O)C(C)(C)N1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816574305 1288213186 /nfs/dbraw/zinc/21/31/86/1288213186.db2.gz CLLBNYLTRUNAFI-UHFFFAOYSA-N 1 0 342.439 2.615 20 10 EFCDRO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000816600213 1288220510 /nfs/dbraw/zinc/22/05/10/1288220510.db2.gz OZXGYVJWLQVIDW-INIZCTEOSA-N 1 0 333.453 2.945 20 10 EFCDRO C[N@@H+]1CCC[C@]2(CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)C1 ZINC000816641898 1288227340 /nfs/dbraw/zinc/22/73/40/1288227340.db2.gz JQKOHYJKBJIJSB-INIZCTEOSA-N 1 0 339.823 2.872 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)cc1 ZINC000816667140 1288236216 /nfs/dbraw/zinc/23/62/16/1288236216.db2.gz DGBXQJRXRQJIPW-WOJBJXKFSA-N 1 0 332.488 2.943 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000816666708 1288236615 /nfs/dbraw/zinc/23/66/15/1288236615.db2.gz UXQNPFGARRJJOL-PMACEKPBSA-N 1 0 328.456 2.667 20 10 EFCDRO CCOCc1cc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)ccc1OC ZINC000816667699 1288250216 /nfs/dbraw/zinc/25/02/16/1288250216.db2.gz UQTWZIPEWURRTJ-UXHICEINSA-N 1 0 349.471 2.641 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](C)C[C@H]2CCCO2)cc1C ZINC001177228821 1288336474 /nfs/dbraw/zinc/33/64/74/1288336474.db2.gz GSSMJOIKNWOBKP-FUHWJXTLSA-N 1 0 348.487 2.805 20 10 EFCDRO CC(C)CCC[NH2+]CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177237669 1288341761 /nfs/dbraw/zinc/34/17/61/1288341761.db2.gz ILWBBWNNAIPMCQ-UHFFFAOYSA-N 1 0 333.436 2.995 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000817171598 1288448473 /nfs/dbraw/zinc/44/84/73/1288448473.db2.gz YLRPVNHSVLMLBZ-VQIMIIECSA-N 1 0 346.519 2.728 20 10 EFCDRO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000817370325 1288562439 /nfs/dbraw/zinc/56/24/39/1288562439.db2.gz NPWSZIAXJNIWCA-OCCSQVGLSA-N 1 0 349.427 2.921 20 10 EFCDRO CCCN1C[C@@H](C[NH2+]Cc2ccc(OC)c(COCC)c2)CC1=O ZINC000817411138 1288590269 /nfs/dbraw/zinc/59/02/69/1288590269.db2.gz NSEASKDZXARUGS-MRXNPFEDSA-N 1 0 334.460 2.580 20 10 EFCDRO COc1cc(Br)cc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c1O ZINC000817412553 1288591595 /nfs/dbraw/zinc/59/15/95/1288591595.db2.gz MLNNKAMNAQGANH-WDEREUQCSA-N 1 0 344.249 2.614 20 10 EFCDRO COc1cccc(CN2CCNC(=O)[C@@H]2CC2CCCCC2)c1O ZINC000817418245 1288592986 /nfs/dbraw/zinc/59/29/86/1288592986.db2.gz HRZOIEKQDSTNHD-INIZCTEOSA-N 1 0 332.444 2.672 20 10 EFCDRO CC(=O)N[C@H]1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000817415564 1288593265 /nfs/dbraw/zinc/59/32/65/1288593265.db2.gz VAAHJCUDPKYGAW-NRFANRHFSA-N 1 0 349.478 2.960 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)COC(C)C)[C@H]2C)cc1C ZINC001178286661 1288728134 /nfs/dbraw/zinc/72/81/34/1288728134.db2.gz BUROZVLSAFMFHN-RDJZCZTQSA-N 1 0 334.460 2.508 20 10 EFCDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001178701853 1288877391 /nfs/dbraw/zinc/87/73/91/1288877391.db2.gz PEHKLSICYRAPSK-CQSZACIVSA-N 1 0 333.819 2.694 20 10 EFCDRO CCOc1ccc(N2CC[NH+](Cc3ccc(N)nc3C)CC2)cc1 ZINC001232347024 1312682418 /nfs/dbraw/zinc/68/24/18/1312682418.db2.gz JKUYVHFBXXAIQI-UHFFFAOYSA-N 1 0 326.444 2.693 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000822525953 1289010081 /nfs/dbraw/zinc/01/00/81/1289010081.db2.gz SEKTTZRJPUFJEM-INIZCTEOSA-N 1 0 331.460 2.941 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CNC(=O)N3C)CC2)cc1 ZINC000822530009 1289011157 /nfs/dbraw/zinc/01/11/57/1289011157.db2.gz NHSQHQGNZOUKPP-UHFFFAOYSA-N 1 0 330.476 2.522 20 10 EFCDRO CCn1cc([C@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000903447699 1312693441 /nfs/dbraw/zinc/69/34/41/1312693441.db2.gz BEZZYQATBUUXIW-KXBFYZLASA-N 1 0 329.492 2.923 20 10 EFCDRO COC[C@H]1CCCC[N@@H+]1Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232402419 1312693802 /nfs/dbraw/zinc/69/38/02/1312693802.db2.gz MNXOJCJIHFCJRH-CQSZACIVSA-N 1 0 330.428 2.966 20 10 EFCDRO CC[NH+](CC)CCN(C)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232401024 1312693908 /nfs/dbraw/zinc/69/39/08/1312693908.db2.gz DDZBABUROFFFFQ-UHFFFAOYSA-N 1 0 331.460 2.739 20 10 EFCDRO Cc1ncncc1[C@@H](C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903447766 1312693899 /nfs/dbraw/zinc/69/38/99/1312693899.db2.gz CEWJQMADEKMNOR-AUUYWEPGSA-N 1 0 327.476 2.805 20 10 EFCDRO Cc1cc([C@@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)n(C)n1 ZINC000903447935 1312693935 /nfs/dbraw/zinc/69/39/35/1312693935.db2.gz GJFCNNZETRZUDQ-BEFAXECRSA-N 1 0 329.492 2.748 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CCC23CCOCC3)N(C)C)cc1 ZINC000903447824 1312693939 /nfs/dbraw/zinc/69/39/39/1312693939.db2.gz CVYATUJNPHDDOD-MOPGFXCFSA-N 1 0 331.504 2.904 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@@]3(CCCO3)C2)c2ccccc2n1C ZINC001232401971 1312693948 /nfs/dbraw/zinc/69/39/48/1312693948.db2.gz HFVWGBRFOVDGEJ-IBGZPJMESA-N 1 0 328.412 2.720 20 10 EFCDRO CC(C)n1cc([C@@H](C)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1 ZINC000903447919 1312694056 /nfs/dbraw/zinc/69/40/56/1312694056.db2.gz GBRPBTPPZJQVOX-BEFAXECRSA-N 1 0 344.507 2.879 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c2ccccc2n1C ZINC001232402161 1312694097 /nfs/dbraw/zinc/69/40/97/1312694097.db2.gz IDNSNXDIMDSUBE-LJQANCHMSA-N 1 0 328.412 2.577 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)c2ccccc2n1C ZINC001232402359 1312694134 /nfs/dbraw/zinc/69/41/34/1312694134.db2.gz MBJAJMDMMNATIY-DJJJIMSYSA-N 1 0 330.428 2.558 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)c2ccccc2n1C ZINC001232402576 1312694219 /nfs/dbraw/zinc/69/42/19/1312694219.db2.gz PQXWQQQQIREPPF-GUYCJALGSA-N 1 0 330.428 2.558 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCCC3(COC3)C2)c2ccccc2n1C ZINC001232402494 1312694303 /nfs/dbraw/zinc/69/43/03/1312694303.db2.gz OPDYQLZRSFYECN-UHFFFAOYSA-N 1 0 328.412 2.577 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@](C)(CO)CC2)c2ccccc2n1C ZINC001232401646 1312694471 /nfs/dbraw/zinc/69/44/71/1312694471.db2.gz AJUMCACSOURQQQ-FQEVSTJZSA-N 1 0 344.455 2.949 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2C[C@@H](CO)CC[C@H]2C)c2ccccc2n1C ZINC001232401905 1312694479 /nfs/dbraw/zinc/69/44/79/1312694479.db2.gz GJDBOLIDQCIEDQ-KGLIPLIRSA-N 1 0 330.428 2.558 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCCC[C@](C)(O)C2)c2ccccc2n1C ZINC001232403390 1312694728 /nfs/dbraw/zinc/69/47/28/1312694728.db2.gz XIJMFWLVLZUYMQ-IBGZPJMESA-N 1 0 330.428 2.702 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@@](F)(CO)CC2)c2ccccc2n1C ZINC001232403146 1312694833 /nfs/dbraw/zinc/69/48/33/1312694833.db2.gz VFWDICTZIBWXAB-IBGZPJMESA-N 1 0 348.418 2.651 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@H](CO)CC2)c2ccccc2n1C ZINC001232403155 1312695190 /nfs/dbraw/zinc/69/51/90/1312695190.db2.gz VLDMGBMTJSQMLH-AWEZNQCLSA-N 1 0 330.428 2.559 20 10 EFCDRO C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cc2n(n1)CCC2 ZINC000903449207 1312695305 /nfs/dbraw/zinc/69/53/05/1312695305.db2.gz WQJOCYIIENQOST-YWZLYKJASA-N 1 0 341.503 2.849 20 10 EFCDRO C[C@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cc2n(n1)CCC2 ZINC000903449205 1312695739 /nfs/dbraw/zinc/69/57/39/1312695739.db2.gz WQJOCYIIENQOST-MGPUTAFESA-N 1 0 341.503 2.849 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c2ccccc2n1C ZINC001232410820 1312697133 /nfs/dbraw/zinc/69/71/33/1312697133.db2.gz TYCMQHLKZXGLTL-DZGCQCFKSA-N 1 0 340.423 2.766 20 10 EFCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c1 ZINC000872755302 1289362054 /nfs/dbraw/zinc/36/20/54/1289362054.db2.gz JBROWEPVNONRJI-HNNXBMFYSA-N 1 0 330.350 2.652 20 10 EFCDRO COc1cc(C[N@H+](CCO)C2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000825629041 1289390495 /nfs/dbraw/zinc/39/04/95/1289390495.db2.gz QECXMGMJYGPVIZ-UHFFFAOYSA-N 1 0 337.460 2.672 20 10 EFCDRO O=C1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CCCN1 ZINC000872825391 1289408531 /nfs/dbraw/zinc/40/85/31/1289408531.db2.gz JYLCTMAPSDZGIR-UHFFFAOYSA-N 1 0 349.228 2.630 20 10 EFCDRO CCC[N@H+]1C[C@H]2CN(C(=O)/C=C/c3ccc(N(C)C)cc3)C[C@H]2C1 ZINC001180126197 1289427453 /nfs/dbraw/zinc/42/74/53/1289427453.db2.gz IVNRBBLVZXRVJZ-BZYKYNINSA-N 1 0 327.472 2.566 20 10 EFCDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000823753604 1289438976 /nfs/dbraw/zinc/43/89/76/1289438976.db2.gz XOCWMDIIKYHGHG-OXQOHEQNSA-N 1 0 344.455 2.968 20 10 EFCDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000823753602 1289439407 /nfs/dbraw/zinc/43/94/07/1289439407.db2.gz XOCWMDIIKYHGHG-JXFKEZNVSA-N 1 0 344.455 2.968 20 10 EFCDRO COc1ccc(O)c(C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000823871913 1289464232 /nfs/dbraw/zinc/46/42/32/1289464232.db2.gz RHPHXMAOLAKYPU-CYBMUJFWSA-N 1 0 349.452 2.698 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000823850450 1289469084 /nfs/dbraw/zinc/46/90/84/1289469084.db2.gz DDAZDZNQWAHCDV-UHFFFAOYSA-N 1 0 332.469 2.754 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCC1 ZINC000823851672 1289469903 /nfs/dbraw/zinc/46/99/03/1289469903.db2.gz VNKPHDHXNINPAK-GOSISDBHSA-N 1 0 336.501 2.590 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](C)Cn2cccn2)cc1Cn1cccn1 ZINC000873017092 1289522289 /nfs/dbraw/zinc/52/22/89/1289522289.db2.gz VFFSIUPBYKHQQZ-MRXNPFEDSA-N 1 0 339.443 2.562 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](C)Cn2ccnc2)cc1Cn1cccn1 ZINC000873024862 1289527099 /nfs/dbraw/zinc/52/70/99/1289527099.db2.gz CPLWTDKOJFWCCX-MRXNPFEDSA-N 1 0 339.443 2.562 20 10 EFCDRO CCCOc1ccc(C[NH2+]CCC(=O)NCc2cccnc2)cc1C ZINC000873027042 1289527846 /nfs/dbraw/zinc/52/78/46/1289527846.db2.gz RCERXQFOQCNCQD-UHFFFAOYSA-N 1 0 341.455 2.975 20 10 EFCDRO COC[C@](C)(CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824098212 1289530602 /nfs/dbraw/zinc/53/06/02/1289530602.db2.gz JUBDXEBYFCIOMI-SFHVURJKSA-N 1 0 334.485 2.872 20 10 EFCDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873051308 1289540245 /nfs/dbraw/zinc/54/02/45/1289540245.db2.gz HUDBQJBOMRSVSM-BEFAXECRSA-N 1 0 331.460 2.827 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](CO)c2ccccc2)cc1Cn1cccn1 ZINC000873051454 1289540339 /nfs/dbraw/zinc/54/03/39/1289540339.db2.gz CNAPKKNZMLIZBL-IBGZPJMESA-N 1 0 337.423 2.763 20 10 EFCDRO COC(=O)c1ccc(C[NH2+]CCCSc2nccs2)n1C ZINC000873053672 1289542059 /nfs/dbraw/zinc/54/20/59/1289542059.db2.gz FSCCXSSHRZTPTP-UHFFFAOYSA-N 1 0 325.459 2.540 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)cc1Cn1cccn1 ZINC000873058361 1289544084 /nfs/dbraw/zinc/54/40/84/1289544084.db2.gz DTSISFSAKNOJFD-FUHWJXTLSA-N 1 0 329.444 2.581 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H](O)C2)cc1Cn1cccn1 ZINC000873060569 1289545365 /nfs/dbraw/zinc/54/53/65/1289545365.db2.gz JGKUFWGXQCNJTM-YJBOKZPZSA-N 1 0 329.444 2.581 20 10 EFCDRO COc1ccc(C[NH2+]CC2(CCO)CCCC2)cc1Cn1cccn1 ZINC000873065661 1289548774 /nfs/dbraw/zinc/54/87/74/1289548774.db2.gz IWTJHNPYDINPBC-UHFFFAOYSA-N 1 0 343.471 2.972 20 10 EFCDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873072637 1289553217 /nfs/dbraw/zinc/55/32/17/1289553217.db2.gz ZFRQKWWCGNNILL-LJQANCHMSA-N 1 0 345.443 2.761 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2c3ccccc3C[C@H]2O)cc1Cn1cccn1 ZINC000873074230 1289553689 /nfs/dbraw/zinc/55/36/89/1289553689.db2.gz JOLCVDQGFIDPHQ-TZIWHRDSSA-N 1 0 349.434 2.688 20 10 EFCDRO COCCC1(C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC000873081300 1289558580 /nfs/dbraw/zinc/55/85/80/1289558580.db2.gz AHXBACWVSSNTFE-UHFFFAOYSA-N 1 0 329.444 2.846 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](CO)CC(C)(C)C)cc1Cn1cccn1 ZINC000873092164 1289563710 /nfs/dbraw/zinc/56/37/10/1289563710.db2.gz ANIZTEFRJHFAEI-QGZVFWFLSA-N 1 0 331.460 2.827 20 10 EFCDRO C[C@H](C(=O)NCc1cc(Cl)c2cccnc2c1O)[NH+]1CCCC1 ZINC001180581888 1289565236 /nfs/dbraw/zinc/56/52/36/1289565236.db2.gz FYLXXNBDHAAIKI-LLVKDONJSA-N 1 0 333.819 2.694 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCO[C@@H](C)C2)cc1Cn1cccn1 ZINC000873099315 1289567153 /nfs/dbraw/zinc/56/71/53/1289567153.db2.gz WJDHYCPDABUVSU-RDJZCZTQSA-N 1 0 329.444 2.845 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)[C@@H]1CCCO1 ZINC000873097807 1289567257 /nfs/dbraw/zinc/56/72/57/1289567257.db2.gz GGKMJSGTIQUNFX-HKUYNNGSSA-N 1 0 329.444 2.987 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@H](CC(N)=O)C2CCOCC2)cc1C ZINC000873097648 1289567496 /nfs/dbraw/zinc/56/74/96/1289567496.db2.gz UWXALEBGFPXSEM-QGZVFWFLSA-N 1 0 334.460 2.544 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2OC)cc1Cn1cccn1 ZINC000873101086 1289568809 /nfs/dbraw/zinc/56/88/09/1289568809.db2.gz NXRVWXQGPPICBO-SJLPKXTDSA-N 1 0 329.444 2.845 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1Cn1cccn1 ZINC000873099464 1289569627 /nfs/dbraw/zinc/56/96/27/1289569627.db2.gz JWKVYWFNFPTJGS-JLVBRIDZSA-N 1 0 329.444 2.986 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000824211255 1289571253 /nfs/dbraw/zinc/57/12/53/1289571253.db2.gz RLWFQYKIOBKGQW-PKOBYXMFSA-N 1 0 344.503 2.768 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)cc1Cn1cccn1 ZINC000873110504 1289572302 /nfs/dbraw/zinc/57/23/02/1289572302.db2.gz QMPSQOSVQCXWEI-WMZOPIPTSA-N 1 0 329.444 2.581 20 10 EFCDRO COc1ccc(C[NH2+]CCc2cccc(C)n2)cc1Cn1cccn1 ZINC000873117152 1289576127 /nfs/dbraw/zinc/57/61/27/1289576127.db2.gz BUVMPIWYSQVKIG-UHFFFAOYSA-N 1 0 336.439 2.976 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCOC[C@H]2C)cc1Cn1cccn1 ZINC000873126611 1289581602 /nfs/dbraw/zinc/58/16/02/1289581602.db2.gz VDQFVWOEMLAHOV-NVXWUHKLSA-N 1 0 329.444 2.702 20 10 EFCDRO COc1ccc(C[NH2+]C[C@](C)(OC)C2CC2)cc1Cn1cccn1 ZINC000873127889 1289582894 /nfs/dbraw/zinc/58/28/94/1289582894.db2.gz VPDXGACCUJPUBM-IBGZPJMESA-N 1 0 329.444 2.845 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@](C)(OC)C2CC2)cc1Cn1cccn1 ZINC000873127890 1289583139 /nfs/dbraw/zinc/58/31/39/1289583139.db2.gz VPDXGACCUJPUBM-LJQANCHMSA-N 1 0 329.444 2.845 20 10 EFCDRO CCCOc1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1C ZINC000873127416 1289583472 /nfs/dbraw/zinc/58/34/72/1289583472.db2.gz RKWHILOLQMZJML-MRXNPFEDSA-N 1 0 325.474 2.698 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](OC)C2CC2)cc1Cn1cccn1 ZINC000873129751 1289585731 /nfs/dbraw/zinc/58/57/31/1289585731.db2.gz RNEQCNDAHSZTJH-LIRRHRJNSA-N 1 0 329.444 2.843 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)COCC2CC2)cc1Cn1cccn1 ZINC000873133277 1289589488 /nfs/dbraw/zinc/58/94/88/1289589488.db2.gz OVXLXVLIGOFKKR-HNNXBMFYSA-N 1 0 329.444 2.845 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)cc1Cn1cccn1 ZINC000873148377 1289601413 /nfs/dbraw/zinc/60/14/13/1289601413.db2.gz AKMWVYLVROENKJ-ZIAGYGMSSA-N 1 0 325.334 2.980 20 10 EFCDRO COc1ccc(C[NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(O)c1 ZINC000824321155 1289605323 /nfs/dbraw/zinc/60/53/23/1289605323.db2.gz PGBCAVHHQXLOGY-LIRRHRJNSA-N 1 0 348.443 2.747 20 10 EFCDRO CCOc1cccc(C[NH2+]CCn2ccc(C(F)(F)F)n2)c1O ZINC000873158275 1289609425 /nfs/dbraw/zinc/60/94/25/1289609425.db2.gz UWIWDWVEKMLSHM-UHFFFAOYSA-N 1 0 329.322 2.796 20 10 EFCDRO COC(=O)COc1ccc(N(C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873210849 1289646874 /nfs/dbraw/zinc/64/68/74/1289646874.db2.gz QDQQLFWJWRGKIX-UHFFFAOYSA-N 1 0 346.452 2.582 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]CC[C@H](C)CCO)c1O ZINC000824514710 1289679104 /nfs/dbraw/zinc/67/91/04/1289679104.db2.gz BQBTWQYQAHPFAG-JTQLQIEISA-N 1 0 332.238 2.662 20 10 EFCDRO CS(=O)(=O)CC1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000824533569 1289687924 /nfs/dbraw/zinc/68/79/24/1289687924.db2.gz ILIFNJVCFHBLPK-UHFFFAOYSA-N 1 0 331.865 2.739 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c1O ZINC000824509938 1289694104 /nfs/dbraw/zinc/69/41/04/1289694104.db2.gz QQPVGDNVNCGWEN-OAHLLOKOSA-N 1 0 339.794 2.887 20 10 EFCDRO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000824571129 1289703419 /nfs/dbraw/zinc/70/34/19/1289703419.db2.gz KAZHCLBTYIDNAE-GOSISDBHSA-N 1 0 331.460 2.949 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]CCC(C)(C)CO)c1O ZINC000824603528 1289721994 /nfs/dbraw/zinc/72/19/94/1289721994.db2.gz SMQXJSTVCTYOKK-UHFFFAOYSA-N 1 0 332.238 2.662 20 10 EFCDRO CCCSCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001181309998 1289769218 /nfs/dbraw/zinc/76/92/18/1289769218.db2.gz MVNGQUZZGAVCRS-MRXNPFEDSA-N 1 0 336.501 2.837 20 10 EFCDRO CC[N@@H+]1CCN(Cc2cc(Br)cc(C)c2O)C[C@@H]1C ZINC000124596251 1289955798 /nfs/dbraw/zinc/95/57/98/1289955798.db2.gz HYQGZTYWRJSEQH-LBPRGKRZSA-N 1 0 327.266 2.989 20 10 EFCDRO CC(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016366989 1312746144 /nfs/dbraw/zinc/74/61/44/1312746144.db2.gz GPBQOLZRZVBGGG-OAHLLOKOSA-N 1 0 331.420 2.699 20 10 EFCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCc3ncc(Br)n3C1)CC2 ZINC000903481118 1312748323 /nfs/dbraw/zinc/74/83/23/1312748323.db2.gz VICSSEFVHMATIS-VXGBXAGGSA-N 1 0 348.244 2.943 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c1O ZINC001204336377 1290175423 /nfs/dbraw/zinc/17/54/23/1290175423.db2.gz MCSXUHDHMWESIL-MFKMUULPSA-N 1 0 344.249 2.756 20 10 EFCDRO CCC[NH2+]C[C@]1(C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001183547877 1290358774 /nfs/dbraw/zinc/35/87/74/1290358774.db2.gz ZUMHJEIPJMNHLT-FZKQIMNGSA-N 1 0 345.447 2.947 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC2CC2)cc1 ZINC001037134454 1290420362 /nfs/dbraw/zinc/42/03/62/1290420362.db2.gz KMZIRJGOFRSMBA-HOCLYGCPSA-N 1 0 343.431 2.747 20 10 EFCDRO C[C@@H](NC(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000875038405 1290452526 /nfs/dbraw/zinc/45/25/26/1290452526.db2.gz IIQWXAQIRXXCIA-QLFBSQMISA-N 1 0 349.475 2.640 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)c(O)c1 ZINC001232836815 1312791891 /nfs/dbraw/zinc/79/18/91/1312791891.db2.gz USHLYPPEMLJFLM-ZIAGYGMSSA-N 1 0 332.366 2.593 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCN(CCc3ccccc3)CC2)c(O)c1 ZINC001232840009 1312792224 /nfs/dbraw/zinc/79/22/24/1312792224.db2.gz ZYODHRISCWCRPQ-UHFFFAOYSA-N 1 0 339.483 2.819 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCN(C)[C@H](c3ccccc3)C2)c(O)c1 ZINC001232839695 1312792496 /nfs/dbraw/zinc/79/24/96/1312792496.db2.gz UAVSSMXSDRRKBS-IBGZPJMESA-N 1 0 325.456 2.947 20 10 EFCDRO COC(=O)CC[N@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1O ZINC001232838257 1312792585 /nfs/dbraw/zinc/79/25/85/1312792585.db2.gz BZPKKUUZMCMZAP-UHFFFAOYSA-N 1 0 332.400 2.617 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)c(O)c1 ZINC001232839256 1312792606 /nfs/dbraw/zinc/79/26/06/1312792606.db2.gz ZFPUIWGCWGHSRH-UHFFFAOYSA-N 1 0 338.455 2.726 20 10 EFCDRO Cc1cnc2n1CCC21CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232838119 1312792613 /nfs/dbraw/zinc/79/26/13/1312792613.db2.gz GTDDPCSDJRMJNP-UHFFFAOYSA-N 1 0 340.471 2.901 20 10 EFCDRO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232838205 1312792675 /nfs/dbraw/zinc/79/26/75/1312792675.db2.gz HXEMNIYMUPRNFG-JXFKEZNVSA-N 1 0 348.487 2.866 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)Cc2ccccc21 ZINC001232841250 1312792864 /nfs/dbraw/zinc/79/28/64/1312792864.db2.gz ZOMLTKVUMCNHSQ-GOSISDBHSA-N 1 0 340.423 2.731 20 10 EFCDRO COC(=O)c1cccc(C[N@H+](C)Cc2ccc(N(C)C)cc2O)c1 ZINC001232840808 1312792980 /nfs/dbraw/zinc/79/29/80/1312792980.db2.gz KAMRXHRKCNEHJE-UHFFFAOYSA-N 1 0 328.412 2.877 20 10 EFCDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3O)C2)c1 ZINC001232841678 1312792990 /nfs/dbraw/zinc/79/29/90/1312792990.db2.gz OFDFKKBPJUCUEZ-KRWDZBQOSA-N 1 0 343.427 2.515 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CC(C)(CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232841696 1312793212 /nfs/dbraw/zinc/79/32/12/1312793212.db2.gz OUKWXJVMNAHXOL-UHFFFAOYSA-N 1 0 349.475 2.805 20 10 EFCDRO Cc1cccnc1O[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232841291 1312793418 /nfs/dbraw/zinc/79/34/18/1312793418.db2.gz BEXDBTXXHIGPIR-KRWDZBQOSA-N 1 0 327.428 2.815 20 10 EFCDRO COC(=O)c1cccc2c1C[N@H+](Cc1ccc(N(C)C)cc1O)CC2 ZINC001232840798 1312793425 /nfs/dbraw/zinc/79/34/25/1312793425.db2.gz JHJQKCQIGLOZMU-UHFFFAOYSA-N 1 0 340.423 2.803 20 10 EFCDRO Cc1cc(OC2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)ncn1 ZINC001232842073 1312793608 /nfs/dbraw/zinc/79/36/08/1312793608.db2.gz ZBBMZPKJSREFGS-UHFFFAOYSA-N 1 0 342.443 2.600 20 10 EFCDRO Cc1ccnc(OC2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)n1 ZINC001232841831 1312794010 /nfs/dbraw/zinc/79/40/10/1312794010.db2.gz UFVDYFNHLYFLFC-UHFFFAOYSA-N 1 0 342.443 2.600 20 10 EFCDRO Cc1cnc(O[C@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3O)C2)nc1 ZINC001232841929 1312794177 /nfs/dbraw/zinc/79/41/77/1312794177.db2.gz USTQQMGVWQBBJW-KRWDZBQOSA-N 1 0 342.443 2.600 20 10 EFCDRO Fc1cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)ccc1N1CCOCC1 ZINC000092047028 1290630659 /nfs/dbraw/zinc/63/06/59/1290630659.db2.gz KMTYWOXFLZCFIR-GOSISDBHSA-N 1 0 347.478 2.723 20 10 EFCDRO COC(=O)c1cc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)c[nH]1 ZINC000092380801 1290687279 /nfs/dbraw/zinc/68/72/79/1290687279.db2.gz LZAWCXNJPYJTHW-UHFFFAOYSA-N 1 0 343.427 2.522 20 10 EFCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1C[NH2+]CCF ZINC001185771338 1290759263 /nfs/dbraw/zinc/75/92/63/1290759263.db2.gz KRSJATWURPGTJA-OCCSQVGLSA-N 1 0 349.410 2.506 20 10 EFCDRO C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1C[NH2+]CCF ZINC001185771336 1290759467 /nfs/dbraw/zinc/75/94/67/1290759467.db2.gz KRSJATWURPGTJA-JSGCOSHPSA-N 1 0 349.410 2.506 20 10 EFCDRO CCOc1cccc(C[N@H+](C)C[C@@H](O)COCc2ccccc2)c1O ZINC000092472264 1290763596 /nfs/dbraw/zinc/76/35/96/1290763596.db2.gz KFLXIASRUITABQ-GOSISDBHSA-N 1 0 345.439 2.800 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000092506861 1290781969 /nfs/dbraw/zinc/78/19/69/1290781969.db2.gz YXKIIVWMDOPTMW-SOLBZPMBSA-N 1 0 348.487 2.865 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000092506862 1290782299 /nfs/dbraw/zinc/78/22/99/1290782299.db2.gz YXKIIVWMDOPTMW-JZXOWHBKSA-N 1 0 348.487 2.865 20 10 EFCDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000092664318 1290802196 /nfs/dbraw/zinc/80/21/96/1290802196.db2.gz BMKQIMMHWFLZJF-KDURUIRLSA-N 1 0 344.547 2.743 20 10 EFCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000092710283 1290877394 /nfs/dbraw/zinc/87/73/94/1290877394.db2.gz PNYRYLQVZJEJCR-MRXNPFEDSA-N 1 0 334.460 2.919 20 10 EFCDRO CC[N@H+](Cc1ccc(I)cc1O)CC(C)(C)O ZINC001232980616 1312825081 /nfs/dbraw/zinc/82/50/81/1312825081.db2.gz UYMWMXLQPQLCRL-UHFFFAOYSA-N 1 0 349.212 2.590 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000876753072 1291006396 /nfs/dbraw/zinc/00/63/96/1291006396.db2.gz IAZKYVVSDUAODV-ZDUSSCGKSA-N 1 0 328.372 2.690 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000876753071 1291006730 /nfs/dbraw/zinc/00/67/30/1291006730.db2.gz IAZKYVVSDUAODV-CYBMUJFWSA-N 1 0 328.372 2.690 20 10 EFCDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1C ZINC000876753842 1291007824 /nfs/dbraw/zinc/00/78/24/1291007824.db2.gz ASEURSOAOMNHTK-DLBZAZTESA-N 1 0 331.504 2.562 20 10 EFCDRO C[NH+](C)Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1O ZINC001232980639 1312825362 /nfs/dbraw/zinc/82/53/62/1312825362.db2.gz LXUMYONYWRDZIS-UHFFFAOYSA-N 1 0 335.448 2.511 20 10 EFCDRO C[N@H+](CCC(=O)OC(C)(C)C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876769432 1291014981 /nfs/dbraw/zinc/01/49/81/1291014981.db2.gz XBUFSHQWVOUJMZ-UHFFFAOYSA-N 1 0 348.487 2.811 20 10 EFCDRO Oc1cc(C[NH+]2CCC3(CC2)OCc2ccccc23)cc(O)c1O ZINC001233014115 1312832356 /nfs/dbraw/zinc/83/23/56/1312832356.db2.gz ZTQMIWIPSRBTND-UHFFFAOYSA-N 1 0 327.380 2.825 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CS[C@H](C)C3)CC2)cc1 ZINC000876900808 1291065186 /nfs/dbraw/zinc/06/51/86/1291065186.db2.gz RJNCFUCXCPQKBZ-IAGOWNOFSA-N 1 0 349.544 2.691 20 10 EFCDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(C)cc2O)N2CCOCC2)o1 ZINC000876904767 1291068001 /nfs/dbraw/zinc/06/80/01/1291068001.db2.gz KCFBIUNNWPTFEV-QGZVFWFLSA-N 1 0 330.428 2.765 20 10 EFCDRO C[C@@H](c1ccccc1)[NH+]1CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233015749 1312832380 /nfs/dbraw/zinc/83/23/80/1312832380.db2.gz ABIOZLLACPVTKH-AWEZNQCLSA-N 1 0 328.412 2.682 20 10 EFCDRO CCNC(=O)COc1cccc(C[NH2+]Cc2ccc(C)cc2O)c1 ZINC000876947714 1291081321 /nfs/dbraw/zinc/08/13/21/1291081321.db2.gz AHPOFNIIDXNISQ-UHFFFAOYSA-N 1 0 328.412 2.505 20 10 EFCDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)OC ZINC000876965610 1291088525 /nfs/dbraw/zinc/08/85/25/1291088525.db2.gz JGELLVJISJEIMY-AUUYWEPGSA-N 1 0 338.467 2.938 20 10 EFCDRO COc1cc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)sn1 ZINC000876965175 1291088912 /nfs/dbraw/zinc/08/89/12/1291088912.db2.gz DANTWCVRAINYDC-UHFFFAOYSA-N 1 0 347.484 2.650 20 10 EFCDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876964732 1291088927 /nfs/dbraw/zinc/08/89/27/1291088927.db2.gz OLSKYUVTXKRGTK-QZTJIDSGSA-N 1 0 345.531 2.858 20 10 EFCDRO CO[C@](C)(C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CC1 ZINC000876966006 1291090059 /nfs/dbraw/zinc/09/00/59/1291090059.db2.gz OLGAOXOOYFAJPD-HXUWFJFHSA-N 1 0 332.488 2.800 20 10 EFCDRO COc1ncc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)s1 ZINC000876966230 1291090297 /nfs/dbraw/zinc/09/02/97/1291090297.db2.gz RVIHJLVEQSPZPX-UHFFFAOYSA-N 1 0 347.484 2.650 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cc2)CC1 ZINC000876972060 1291093038 /nfs/dbraw/zinc/09/30/38/1291093038.db2.gz GUOKBSYQDTYXEZ-UHFFFAOYSA-N 1 0 343.515 2.754 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+]CC3CCSCC3)CC2)cc1 ZINC000876980639 1291096368 /nfs/dbraw/zinc/09/63/68/1291096368.db2.gz LDMZKJSWYNFBKG-UHFFFAOYSA-N 1 0 349.544 2.550 20 10 EFCDRO Cc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c(O)c1 ZINC000876981480 1291096488 /nfs/dbraw/zinc/09/64/88/1291096488.db2.gz QYEXAHQVBJACLH-UHFFFAOYSA-N 1 0 339.844 2.918 20 10 EFCDRO Cc1cccc(O)c1C[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000876978780 1291097310 /nfs/dbraw/zinc/09/73/10/1291097310.db2.gz UZXBUIZLNMYYGB-UHFFFAOYSA-N 1 0 339.844 2.918 20 10 EFCDRO Oc1cc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc(O)c1O ZINC001233012746 1312831714 /nfs/dbraw/zinc/83/17/14/1312831714.db2.gz MYNNINZNZZONDQ-DLBZAZTESA-N 1 0 340.423 2.510 20 10 EFCDRO Oc1cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc(O)c1O ZINC001233015245 1312832292 /nfs/dbraw/zinc/83/22/92/1312832292.db2.gz GMWHEXSYHDTEHY-IAGOWNOFSA-N 1 0 340.423 2.510 20 10 EFCDRO Cc1cccc(O)c1C[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000877029355 1291110329 /nfs/dbraw/zinc/11/03/29/1291110329.db2.gz AFCGISDHKPGDCH-UHFFFAOYSA-N 1 0 328.412 2.943 20 10 EFCDRO CC(=O)OC[C@H]1CCC2(C1)CC[NH+](Cc1cc(O)c(O)c(O)c1)CC2 ZINC001233016239 1312832540 /nfs/dbraw/zinc/83/25/40/1312832540.db2.gz PZRVHICQFHMJGF-AWEZNQCLSA-N 1 0 349.427 2.749 20 10 EFCDRO COC(=O)c1ccc([C@H]2CCCN2Cc2cc(O)c(O)c(O)c2)cc1 ZINC001233016175 1312832848 /nfs/dbraw/zinc/83/28/48/1312832848.db2.gz OYWBFWCRKAHRTB-OAHLLOKOSA-N 1 0 343.379 2.927 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccsc1 ZINC000877049219 1291116855 /nfs/dbraw/zinc/11/68/55/1291116855.db2.gz RPDNXHWWIMLMBE-GOSISDBHSA-N 1 0 332.469 2.532 20 10 EFCDRO OCC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccs1 ZINC000877050283 1291117093 /nfs/dbraw/zinc/11/70/93/1291117093.db2.gz KTMCHKOVVKTPNE-GOSISDBHSA-N 1 0 346.496 2.923 20 10 EFCDRO Cc1noc(C)c1C[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877056481 1291119633 /nfs/dbraw/zinc/11/96/33/1291119633.db2.gz SFPVINMVICCVSI-AWEZNQCLSA-N 1 0 343.471 2.973 20 10 EFCDRO OCCC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCC1 ZINC000877067957 1291124688 /nfs/dbraw/zinc/12/46/88/1291124688.db2.gz KGNJCUSNCUULNP-UHFFFAOYSA-N 1 0 332.488 2.680 20 10 EFCDRO COc1cc(C[C@H](CO)C[NH2+]Cc2c(C)cccc2O)cc(OC)c1 ZINC000877077086 1291127083 /nfs/dbraw/zinc/12/70/83/1291127083.db2.gz WKZLDAIGDBVIBT-INIZCTEOSA-N 1 0 345.439 2.659 20 10 EFCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCC[C@@H]1O ZINC000877082283 1291128819 /nfs/dbraw/zinc/12/88/19/1291128819.db2.gz ZIVDUMIBZKNRQI-VQTJNVASSA-N 1 0 332.488 2.679 20 10 EFCDRO Cc1cccc([C@@H](O)C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000877092195 1291133814 /nfs/dbraw/zinc/13/38/14/1291133814.db2.gz WUARYTROTOULEI-NRFANRHFSA-N 1 0 340.467 2.779 20 10 EFCDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877130214 1291138782 /nfs/dbraw/zinc/13/87/82/1291138782.db2.gz PUUQTVRAJTVQSD-BEFAXECRSA-N 1 0 344.455 2.843 20 10 EFCDRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877130223 1291139223 /nfs/dbraw/zinc/13/92/23/1291139223.db2.gz PUUQTVRAJTVQSD-KXBFYZLASA-N 1 0 344.455 2.843 20 10 EFCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)CC(C)C ZINC000877145464 1291146082 /nfs/dbraw/zinc/14/60/82/1291146082.db2.gz ICPYOQSXZVZCLS-IEBWSBKVSA-N 1 0 347.503 2.539 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C ZINC000093534378 1291165727 /nfs/dbraw/zinc/16/57/27/1291165727.db2.gz DOZHROSJPMJRTF-OAHLLOKOSA-N 1 0 342.399 2.999 20 10 EFCDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000877323107 1291192446 /nfs/dbraw/zinc/19/24/46/1291192446.db2.gz IMYBVHASFRGAIF-GJZGRUSLSA-N 1 0 345.443 2.617 20 10 EFCDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000795687961 1291199809 /nfs/dbraw/zinc/19/98/09/1291199809.db2.gz LXUZXDIYQNLBBL-OAHLLOKOSA-N 1 0 331.334 2.936 20 10 EFCDRO COC(=O)CC[N@H+](Cc1cc(Cl)ccc1O)C1CCOCC1 ZINC000093734693 1291201964 /nfs/dbraw/zinc/20/19/64/1291201964.db2.gz FRLWYUUQDGTRKZ-UHFFFAOYSA-N 1 0 327.808 2.590 20 10 EFCDRO COCC1(C[NH2+]Cc2ccc(Br)cc2O)CCOCC1 ZINC000825959704 1291203162 /nfs/dbraw/zinc/20/31/62/1291203162.db2.gz RQJINMOWYJHPQC-UHFFFAOYSA-N 1 0 344.249 2.688 20 10 EFCDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000795697505 1291239487 /nfs/dbraw/zinc/23/94/87/1291239487.db2.gz DWSOTSZCHYIVJZ-BEFAXECRSA-N 1 0 330.472 2.566 20 10 EFCDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877486475 1291245602 /nfs/dbraw/zinc/24/56/02/1291245602.db2.gz NYFHRXZYXPBOBX-QFBILLFUSA-N 1 0 332.488 2.773 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H](O)c1ccccc1 ZINC000877535166 1291265602 /nfs/dbraw/zinc/26/56/02/1291265602.db2.gz KBVMWZWUQBGFND-IERDGZPVSA-N 1 0 340.467 2.859 20 10 EFCDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCCC1 ZINC000877551827 1291272743 /nfs/dbraw/zinc/27/27/43/1291272743.db2.gz DPDLPXKGGGLNBJ-LJQANCHMSA-N 1 0 346.515 2.926 20 10 EFCDRO OCC[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877597081 1291286127 /nfs/dbraw/zinc/28/61/27/1291286127.db2.gz YXILBYIDTUIAFX-KRWDZBQOSA-N 1 0 332.488 2.632 20 10 EFCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000877638615 1291301217 /nfs/dbraw/zinc/30/12/17/1291301217.db2.gz IOMJHGQYRVOAOG-HXUWFJFHSA-N 1 0 332.488 2.943 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)c(O)c1 ZINC000877645786 1291305852 /nfs/dbraw/zinc/30/58/52/1291305852.db2.gz WLZDWBCDTXNBAG-GOSISDBHSA-N 1 0 328.412 2.977 20 10 EFCDRO COc1ccc2c(c1)c1c(n2C)CCN(c2ccc3c(n2)CC[NH2+]C3)C1 ZINC001166815578 1312846792 /nfs/dbraw/zinc/84/67/92/1312846792.db2.gz BPCNRCCXZOVSIM-UHFFFAOYSA-N 1 0 348.450 2.790 20 10 EFCDRO COCC[C@H](C[NH2+][C@H](C)c1ccccc1O)NC(=O)OC(C)(C)C ZINC000877755492 1291361142 /nfs/dbraw/zinc/36/11/42/1291361142.db2.gz CNJXWEKTTSTJNH-ZIAGYGMSSA-N 1 0 338.448 2.973 20 10 EFCDRO COC(=O)CCn1nc(C)c(C[NH2+][C@H](C)c2ccccc2O)c1C ZINC000877756260 1291361632 /nfs/dbraw/zinc/36/16/32/1291361632.db2.gz CNLVLLAQXQDLIY-GFCCVEGCSA-N 1 0 331.416 2.619 20 10 EFCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c1O ZINC001233105970 1312855830 /nfs/dbraw/zinc/85/58/30/1312855830.db2.gz FSCBKJAZWWQZTH-QWHCGFSZSA-N 1 0 332.213 2.758 20 10 EFCDRO Cc1cc(Br)cc(CN2CCC[C@H]3C[N@@H+](C)C[C@@H]32)c1O ZINC001233109805 1312856853 /nfs/dbraw/zinc/85/68/53/1312856853.db2.gz GZONGYWWLLGPKR-WFASDCNBSA-N 1 0 339.277 2.989 20 10 EFCDRO Cc1cc(O)c(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1Cl ZINC000826024333 1291516023 /nfs/dbraw/zinc/51/60/23/1291516023.db2.gz ZFERTTRTNFBFIW-IRXDYDNUSA-N 1 0 325.836 2.764 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)cc1Br ZINC001233134850 1312863369 /nfs/dbraw/zinc/86/33/69/1312863369.db2.gz GFBOKRJZCSLGIP-MFKMUULPSA-N 1 0 344.249 2.756 20 10 EFCDRO CCN(CC[NH+](C)C)Cc1cc(Br)c(OC)cc1O ZINC001233135672 1312863615 /nfs/dbraw/zinc/86/36/15/1312863615.db2.gz XREXQPGWKNODBJ-UHFFFAOYSA-N 1 0 331.254 2.547 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@](C)(O)C2)cc1Br ZINC001233135203 1312863817 /nfs/dbraw/zinc/86/38/17/1312863817.db2.gz ONGRMALHPZDNDW-OAHLLOKOSA-N 1 0 344.249 2.900 20 10 EFCDRO COc1cc(O)c(CN2CCC[C@H]([NH+](C)C)C2)cc1Br ZINC001233139623 1312863957 /nfs/dbraw/zinc/86/39/57/1312863957.db2.gz MQULGFHXXMYGHU-LBPRGKRZSA-N 1 0 343.265 2.689 20 10 EFCDRO CC[C@@]12C[C@@H](CO1)N(Cc1cc(Br)c(OC)cc1O)C2 ZINC001233141011 1312864598 /nfs/dbraw/zinc/86/45/98/1312864598.db2.gz BXRYYLRVXKCUJI-NHYWBVRUSA-N 1 0 342.233 2.917 20 10 EFCDRO C[N@@H+]1CCN(Cc2cc3c(cc2O)OCO3)[C@@H](c2ccccc2)C1 ZINC000249697597 1291639926 /nfs/dbraw/zinc/63/99/26/1291639926.db2.gz AXZWLWBMJQVFBB-MRXNPFEDSA-N 1 0 326.396 2.610 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)NCc2cnc(C)s2)c1 ZINC000878360148 1291646083 /nfs/dbraw/zinc/64/60/83/1291646083.db2.gz HYLRXBRWUXHUJC-NSHDSACASA-N 1 0 349.456 2.523 20 10 EFCDRO CC(=O)NC1C[NH+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC001233197749 1312877845 /nfs/dbraw/zinc/87/78/45/1312877845.db2.gz QXDQVJPCNYUFSE-UHFFFAOYSA-N 1 0 349.228 2.628 20 10 EFCDRO CCOC(=O)CCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775259833 1291741876 /nfs/dbraw/zinc/74/18/76/1291741876.db2.gz YXEGUJQHGFUTQJ-INIZCTEOSA-N 1 0 334.460 2.907 20 10 EFCDRO C[C@@H]1CNC(=O)CN1Cc1c(O)ccc2cc(Br)ccc21 ZINC001233195694 1312878066 /nfs/dbraw/zinc/87/80/66/1312878066.db2.gz OHEVMHKRDFUNCX-SNVBAGLBSA-N 1 0 349.228 2.628 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@H](O)CC2)c2ccccc2n1C ZINC001233270388 1312890223 /nfs/dbraw/zinc/89/02/23/1312890223.db2.gz LZYRVCLKLDKCBR-AWEZNQCLSA-N 1 0 330.428 2.702 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c2ccccc2n1C ZINC001233270592 1312890301 /nfs/dbraw/zinc/89/03/01/1312890301.db2.gz SPKTTWKKNXULJI-DOTOQJQBSA-N 1 0 348.418 2.650 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c2ccccc2n1C ZINC001233270384 1312890615 /nfs/dbraw/zinc/89/06/15/1312890615.db2.gz LWCNUCATCKHVDE-KGLIPLIRSA-N 1 0 330.428 2.700 20 10 EFCDRO CCOC(=O)c1c(CN2CC[N@H+](CC)C[C@H]2C)c2ccccc2n1C ZINC001233273636 1312890862 /nfs/dbraw/zinc/89/08/62/1312890862.db2.gz LJQYEUDIUKZNFI-OAHLLOKOSA-N 1 0 343.471 2.881 20 10 EFCDRO CCOC(=O)c1c(CN2CCOC[C@H]2CC)c2ccccc2n1C ZINC001233273120 1312891095 /nfs/dbraw/zinc/89/10/95/1312891095.db2.gz OPCTVZGZOLLMDG-CQSZACIVSA-N 1 0 330.428 2.966 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c2ccccc2n1C ZINC001233272864 1312891203 /nfs/dbraw/zinc/89/12/03/1312891203.db2.gz FGNBJVRBJPVWHD-RDTXWAMCSA-N 1 0 342.439 2.966 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[C@H]2C(C)=O)c2ccccc2n1C ZINC001233273676 1312891306 /nfs/dbraw/zinc/89/13/06/1312891306.db2.gz MQOJFHKJZJUNPC-INIZCTEOSA-N 1 0 328.412 2.908 20 10 EFCDRO OCC[N@H+](Cc1ccc(Br)cc1O)C1CCSCC1 ZINC000826096937 1291984294 /nfs/dbraw/zinc/98/42/94/1291984294.db2.gz IZTCEORBZUHXLA-UHFFFAOYSA-N 1 0 346.290 2.845 20 10 EFCDRO CCNC(=O)COC1CC[NH+](Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233287287 1312896154 /nfs/dbraw/zinc/89/61/54/1312896154.db2.gz GMFDZHUASIMNPG-UHFFFAOYSA-N 1 0 348.487 2.807 20 10 EFCDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233287795 1312896269 /nfs/dbraw/zinc/89/62/69/1312896269.db2.gz HOOLASUCRAIHCB-GHMZBOCLSA-N 1 0 327.808 2.828 20 10 EFCDRO CCCNC(=O)[C@@H]1CCCCN1Cc1cc(Cl)cc(OC)c1O ZINC001233289966 1312896298 /nfs/dbraw/zinc/89/62/98/1312896298.db2.gz ZSETZFPRAHKJGM-AWEZNQCLSA-N 1 0 340.851 2.935 20 10 EFCDRO CCN(C(C)=O)C1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC001233291146 1312896671 /nfs/dbraw/zinc/89/66/71/1312896671.db2.gz OCPJKSMGGWZCDX-UHFFFAOYSA-N 1 0 340.851 2.887 20 10 EFCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCN(c3ncc(O)cn3)CC2)c1 ZINC001233287116 1312896748 /nfs/dbraw/zinc/89/67/48/1312896748.db2.gz XFIMDNISCQRISD-UHFFFAOYSA-N 1 0 342.443 2.508 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](Oc3ncc(C)cn3)C2)c1O ZINC001233291313 1312897787 /nfs/dbraw/zinc/89/77/87/1312897787.db2.gz VTRDPPDPINPDIP-CQSZACIVSA-N 1 0 349.818 2.806 20 10 EFCDRO COC(=O)c1cccc(OCC[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000775372464 1292101048 /nfs/dbraw/zinc/10/10/48/1292101048.db2.gz BTCWPKLTYCGVHO-ZDUSSCGKSA-N 1 0 345.395 2.917 20 10 EFCDRO CCOC(=O)c1ccnc(CN2CCCc3cc(O)c(O)cc3C2)c1 ZINC001233327045 1312903706 /nfs/dbraw/zinc/90/37/06/1312903706.db2.gz CMXAIFCCDPZHSN-UHFFFAOYSA-N 1 0 342.395 2.618 20 10 EFCDRO Oc1ccc(F)c(F)c1CN1CC2(C1)CC[N@H+](Cc1cccnc1)C2 ZINC001233333273 1312905359 /nfs/dbraw/zinc/90/53/59/1312905359.db2.gz QAYVRMGNARSHAP-UHFFFAOYSA-N 1 0 345.393 2.773 20 10 EFCDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2c(O)ccc(F)c2F)CC1 ZINC001233335332 1312905824 /nfs/dbraw/zinc/90/58/24/1312905824.db2.gz QNQMJQITJTYWFN-CQSZACIVSA-N 1 0 340.414 2.746 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)NCCO[C@@H]1CCCC[C@@H]1C)c1ccccc1O ZINC000879648222 1292218292 /nfs/dbraw/zinc/21/82/92/1292218292.db2.gz FKRQIHGIXHAVRN-HDMKZQKVSA-N 1 0 334.460 2.754 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)NCCCOc1ccccc1F)c1ccccc1O ZINC000879648694 1292218628 /nfs/dbraw/zinc/21/86/28/1292218628.db2.gz ZNIAVSBVYDICRD-CQSZACIVSA-N 1 0 346.402 2.767 20 10 EFCDRO C[C@@H]([NH2+]C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000879649157 1292218751 /nfs/dbraw/zinc/21/87/51/1292218751.db2.gz JWDOEGNDDCBANO-ACJLOTCBSA-N 1 0 338.448 2.661 20 10 EFCDRO COC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233452041 1312934778 /nfs/dbraw/zinc/93/47/78/1312934778.db2.gz IMCTUBZTNJEMIK-UHFFFAOYSA-N 1 0 332.322 2.685 20 10 EFCDRO Oc1cc(C(F)(F)F)ccc1C[NH+]1CCN(c2cccnn2)CC1 ZINC001233454258 1312934960 /nfs/dbraw/zinc/93/49/60/1312934960.db2.gz NRTAKHNEAUMSBV-UHFFFAOYSA-N 1 0 338.333 2.523 20 10 EFCDRO O=C1NCC[C@@]12CCC[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233452781 1312934993 /nfs/dbraw/zinc/93/49/93/1312934993.db2.gz JZYSKESOOQZZEO-OAHLLOKOSA-N 1 0 328.334 2.513 20 10 EFCDRO Oc1cc(C(F)(F)F)ccc1C[NH+]1CCC(N2CCOCC2)CC1 ZINC001233451303 1312935096 /nfs/dbraw/zinc/93/50/96/1312935096.db2.gz FZXOUSVTDWVRDF-UHFFFAOYSA-N 1 0 344.377 2.708 20 10 EFCDRO Oc1cc(C(F)(F)F)ccc1C[NH+]1CCN(c2ncccn2)CC1 ZINC001233451757 1312935403 /nfs/dbraw/zinc/93/54/03/1312935403.db2.gz XXYKNRBFLFATEU-UHFFFAOYSA-N 1 0 338.333 2.523 20 10 EFCDRO CC[N@@H+]1CCO[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3O)C[C@@H]2C1 ZINC001233453568 1312935469 /nfs/dbraw/zinc/93/54/69/1312935469.db2.gz LMBJZSYVBDRJGA-XJKSGUPXSA-N 1 0 344.377 2.564 20 10 EFCDRO Oc1cc(C(F)(F)F)ccc1C[NH+]1CCN(c2cncnc2)CC1 ZINC001233455140 1312935956 /nfs/dbraw/zinc/93/59/56/1312935956.db2.gz XXJZVWCQRLLLLF-UHFFFAOYSA-N 1 0 338.333 2.523 20 10 EFCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3O)CC[C@H]21 ZINC001233455285 1312936119 /nfs/dbraw/zinc/93/61/19/1312936119.db2.gz DSDFDACICOIJON-BXUZGUMPSA-N 1 0 342.361 2.854 20 10 EFCDRO COCCCC[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233455379 1312936436 /nfs/dbraw/zinc/93/64/36/1312936436.db2.gz IGXPFECURMKVAI-UHFFFAOYSA-N 1 0 346.393 2.955 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC(Oc3cccc(F)c3)CC2)cc1O ZINC001233485139 1312939329 /nfs/dbraw/zinc/93/93/29/1312939329.db2.gz KLJICRQBIWWNTB-UHFFFAOYSA-N 1 0 333.359 2.986 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc(O)c(O)cc1O ZINC001233485447 1312939542 /nfs/dbraw/zinc/93/95/42/1312939542.db2.gz WHHRHOKFVJNBBG-CQSZACIVSA-N 1 0 328.412 2.510 20 10 EFCDRO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3cc(O)c(O)cc3O)C2)c1 ZINC001233486828 1312940202 /nfs/dbraw/zinc/94/02/02/1312940202.db2.gz DTHIJEUOCZOSMY-CQSZACIVSA-N 1 0 330.384 2.550 20 10 EFCDRO CCCc1noc([C@@H]2CCC[N@H+](Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233486698 1312940466 /nfs/dbraw/zinc/94/04/66/1312940466.db2.gz YGWVQMVNLLGCOG-LLVKDONJSA-N 1 0 333.388 2.519 20 10 EFCDRO CCCc1noc([C@H]2CCC[N@H+](Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233486699 1312940615 /nfs/dbraw/zinc/94/06/15/1312940615.db2.gz YGWVQMVNLLGCOG-NSHDSACASA-N 1 0 333.388 2.519 20 10 EFCDRO [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001205570359 1292630470 /nfs/dbraw/zinc/63/04/70/1292630470.db2.gz JBJNHUNFLPTAOV-AWEZNQCLSA-N 1 0 349.219 2.947 20 10 EFCDRO CCOc1ccc(N2CC[NH+](Cc3cc(O)c(O)cc3O)CC2)cc1 ZINC001233486824 1312940722 /nfs/dbraw/zinc/94/07/22/1312940722.db2.gz DLVRWFWWBQLEMZ-UHFFFAOYSA-N 1 0 344.411 2.524 20 10 EFCDRO Cc1cccnc1O[C@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486805 1312940763 /nfs/dbraw/zinc/94/07/63/1312940763.db2.gz CXJLCFSFBOQRJY-AWEZNQCLSA-N 1 0 330.384 2.550 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1Cc1cc(O)c(O)cc1O ZINC001233487681 1312941392 /nfs/dbraw/zinc/94/13/92/1312941392.db2.gz NZUHUBDPDPMUSH-HUUCEWRRSA-N 1 0 342.439 2.898 20 10 EFCDRO CCCC(=O)c1cc(O)c(O)cc1OC1CC[NH+](CCOC)CC1 ZINC001233494450 1312943089 /nfs/dbraw/zinc/94/30/89/1312943089.db2.gz CCUATKGVDYVCMR-UHFFFAOYSA-N 1 0 337.416 2.570 20 10 EFCDRO CCC[C@H]1C(=O)NCC[N@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000128702266 1292686753 /nfs/dbraw/zinc/68/67/53/1292686753.db2.gz QJIAVEHNRYJLAO-KRWDZBQOSA-N 1 0 328.412 2.655 20 10 EFCDRO CCC(=O)N1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000128728928 1292709575 /nfs/dbraw/zinc/70/95/75/1292709575.db2.gz WWBARGPJEJYZBG-UHFFFAOYSA-N 1 0 334.460 2.840 20 10 EFCDRO CN(C)C(=O)CC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796282735 1292747085 /nfs/dbraw/zinc/74/70/85/1292747085.db2.gz IIBSDMNSJGFBOM-UHFFFAOYSA-N 1 0 337.467 2.817 20 10 EFCDRO CC[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1cc(Cl)ccc1O ZINC000775497794 1292753770 /nfs/dbraw/zinc/75/37/70/1292753770.db2.gz ULYPUZBFFZBOGL-OCCSQVGLSA-N 1 0 346.880 2.510 20 10 EFCDRO CC(C)(C)OC(=O)N1CCO[C@H]2C[N@H+](Cc3ccccc3O)CC[C@@H]21 ZINC001203550565 1312953434 /nfs/dbraw/zinc/95/34/34/1312953434.db2.gz ZUEMASJOMTWLOP-RDJZCZTQSA-N 1 0 348.443 2.602 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001203552589 1312954046 /nfs/dbraw/zinc/95/40/46/1312954046.db2.gz OOUWLCOPJGGPTI-HHXXYDBFSA-N 1 0 340.423 2.846 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001203552925 1312954118 /nfs/dbraw/zinc/95/41/18/1312954118.db2.gz VQTYCCBTSRFULD-HKUYNNGSSA-N 1 0 342.414 2.869 20 10 EFCDRO COC[C@@](C)(O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796303089 1292818038 /nfs/dbraw/zinc/81/80/38/1292818038.db2.gz FZBOXDNGXJECRD-NRFANRHFSA-N 1 0 340.467 2.736 20 10 EFCDRO CC(C)C(=O)NC[C@@H]1CCC[C@]2(CC[N@H+](Cc3ccccc3O)C2)O1 ZINC001203556390 1312955547 /nfs/dbraw/zinc/95/55/47/1312955547.db2.gz ONSHDHCDJHSIIH-FXAWDEMLSA-N 1 0 346.471 2.678 20 10 EFCDRO O=C(NC1CC[NH+](Cc2ccccc2O)CC1)c1cccc(F)c1 ZINC001203560824 1312956233 /nfs/dbraw/zinc/95/62/33/1312956233.db2.gz GYDGUHLYNUCWLI-UHFFFAOYSA-N 1 0 328.387 2.926 20 10 EFCDRO CC[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cc(Cl)ccc1O ZINC000775523196 1292872956 /nfs/dbraw/zinc/87/29/56/1292872956.db2.gz DYKMTVOGAMJPPU-OCCSQVGLSA-N 1 0 346.880 2.510 20 10 EFCDRO COC(=O)N1CCC2(CC1)CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC001203585170 1312963053 /nfs/dbraw/zinc/96/30/53/1312963053.db2.gz MURXSRNGMDFUQQ-UHFFFAOYSA-N 1 0 348.443 2.845 20 10 EFCDRO COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccc(OC)c1O)C2 ZINC001203591297 1312964950 /nfs/dbraw/zinc/96/49/50/1312964950.db2.gz GMCURBGPHQOYCH-HNAYVOBHSA-N 1 0 335.444 2.808 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2cccc(OC)c2O)Cc2c1cnn2CC ZINC001203591559 1312965009 /nfs/dbraw/zinc/96/50/09/1312965009.db2.gz IXSBUVRIRQEHGW-OAHLLOKOSA-N 1 0 345.443 2.753 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)c1O ZINC001203590324 1312965101 /nfs/dbraw/zinc/96/51/01/1312965101.db2.gz WWNBXOOUMLYZRT-HXUWFJFHSA-N 1 0 348.487 2.724 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@@]3(CCCN3C(=O)C(C)C)C2)c1O ZINC001203593625 1312965678 /nfs/dbraw/zinc/96/56/78/1312965678.db2.gz OYOMOPRTCNLYGI-IBGZPJMESA-N 1 0 332.444 2.624 20 10 EFCDRO COC(=O)[C@H]1C[N@H+](Cc2cccc(OC)c2O)C[C@@H]1c1ccccc1 ZINC001203601808 1312967358 /nfs/dbraw/zinc/96/73/58/1312967358.db2.gz LRXNGNVSKFWIKS-SJORKVTESA-N 1 0 341.407 2.789 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c1O ZINC001203609978 1312970550 /nfs/dbraw/zinc/97/05/50/1312970550.db2.gz QFYWMPMXVJCCAA-XLIONFOSSA-N 1 0 347.455 2.951 20 10 EFCDRO CCOc1cccc(C[NH+]2CCN(c3ccc(Cl)nn3)CC2)c1O ZINC001203615018 1312971337 /nfs/dbraw/zinc/97/13/37/1312971337.db2.gz KTOPCMNPBJNMHT-UHFFFAOYSA-N 1 0 348.834 2.557 20 10 EFCDRO CSc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000881851312 1293028319 /nfs/dbraw/zinc/02/83/19/1293028319.db2.gz IOVKLKIXQXCTPL-UHFFFAOYSA-N 1 0 345.468 2.683 20 10 EFCDRO C[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccsc1 ZINC000881851000 1293028657 /nfs/dbraw/zinc/02/86/57/1293028657.db2.gz MZAQZPXTXWYXBY-OAHLLOKOSA-N 1 0 343.496 2.920 20 10 EFCDRO C[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000881852471 1293029299 /nfs/dbraw/zinc/02/92/99/1293029299.db2.gz RHRZAUFWDGMPPI-KRWDZBQOSA-N 1 0 337.467 2.858 20 10 EFCDRO CC(C)CCSCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851103 1293029745 /nfs/dbraw/zinc/02/97/45/1293029745.db2.gz DBHQLQDFFYRVGO-UHFFFAOYSA-N 1 0 349.544 2.834 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)cc2)CC1 ZINC000881853373 1293030255 /nfs/dbraw/zinc/03/02/55/1293030255.db2.gz UDIOAFXTGOJMDH-IMFGXOCKSA-N 1 0 339.483 2.657 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3=CCCCCC3)cc2)CC1 ZINC000881854234 1293030375 /nfs/dbraw/zinc/03/03/75/1293030375.db2.gz YDJUAJNIXILCAS-UHFFFAOYSA-N 1 0 327.472 2.945 20 10 EFCDRO C[C@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852880 1293031226 /nfs/dbraw/zinc/03/12/26/1293031226.db2.gz DWCAZXXGLZRDHP-LPHOPBHVSA-N 1 0 329.488 2.881 20 10 EFCDRO Cc1sccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853466 1293031244 /nfs/dbraw/zinc/03/12/44/1293031244.db2.gz XIIIWSQFUNAXSG-UHFFFAOYSA-N 1 0 329.469 2.738 20 10 EFCDRO COc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000129309770 1293043427 /nfs/dbraw/zinc/04/34/27/1293043427.db2.gz GQVGUNSNVJXOOF-HNNXBMFYSA-N 1 0 349.475 2.568 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@H](Oc3nccc(C)n3)C2)c1O ZINC001203617132 1312972531 /nfs/dbraw/zinc/97/25/31/1312972531.db2.gz IWRAYAUCJKZPMX-HNNXBMFYSA-N 1 0 329.400 2.543 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](Oc3cnccn3)C2)c1O ZINC001203617687 1312972537 /nfs/dbraw/zinc/97/25/37/1312972537.db2.gz UKAMSEWWASUEIG-HNNXBMFYSA-N 1 0 329.400 2.624 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@H](Oc3ncncc3C)C2)c1O ZINC001203617701 1312972685 /nfs/dbraw/zinc/97/26/85/1312972685.db2.gz VFEGSWKBYHIOFF-HNNXBMFYSA-N 1 0 329.400 2.543 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](Oc3cc(C)ncn3)C2)c1O ZINC001203617916 1312972720 /nfs/dbraw/zinc/97/27/20/1312972720.db2.gz YCJUCMOAEADZGV-MRXNPFEDSA-N 1 0 343.427 2.933 20 10 EFCDRO COc1ccc(C[N@@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1 ZINC001203622127 1312972897 /nfs/dbraw/zinc/97/28/97/1312972897.db2.gz QCWUVYANQMADAF-CZUORRHYSA-N 1 0 348.443 2.842 20 10 EFCDRO COc1ccc(C[N@@H+]2CCCN(c3ccc(F)cn3)CC2)c(O)c1 ZINC001203621581 1312973512 /nfs/dbraw/zinc/97/35/12/1312973512.db2.gz XXGAMDLSFSCWFO-UHFFFAOYSA-N 1 0 331.391 2.647 20 10 EFCDRO COc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c(O)c1 ZINC001203623104 1312974029 /nfs/dbraw/zinc/97/40/29/1312974029.db2.gz IHXVDQSQUWJNIK-QXAKKESOSA-N 1 0 333.428 2.559 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)c(O)c1 ZINC001203623188 1312974138 /nfs/dbraw/zinc/97/41/38/1312974138.db2.gz LYJJKDAFXNGSPI-QWFCFKBJSA-N 1 0 347.455 2.949 20 10 EFCDRO COc1ccc(C[N@@H+]2CCCn3cnc(COC(C)C)c3C2)c(O)c1 ZINC001203629466 1312975356 /nfs/dbraw/zinc/97/53/56/1312975356.db2.gz LQOXRCHDSQHMBC-UHFFFAOYSA-N 1 0 345.443 2.928 20 10 EFCDRO COc1cccc(CN2CC[NH+](Cc3ccc(OC)cc3O)CC2)c1 ZINC001203629171 1312975598 /nfs/dbraw/zinc/97/55/98/1312975598.db2.gz RRYCTYZGHUNEDV-UHFFFAOYSA-N 1 0 342.439 2.727 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)c(O)c1 ZINC001203628643 1312975627 /nfs/dbraw/zinc/97/56/27/1312975627.db2.gz DKIAVGVOIKJZSI-FQEVSTJZSA-N 1 0 338.407 2.521 20 10 EFCDRO COc1ccc(C[NH+]2CCC(NC(=O)CC(C)(C)C)CC2)c(O)c1 ZINC001203634811 1312977581 /nfs/dbraw/zinc/97/75/81/1312977581.db2.gz WOHVQFKGVNMRLA-UHFFFAOYSA-N 1 0 334.460 2.918 20 10 EFCDRO Oc1c(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cccc1OC(F)(F)F ZINC001233727689 1312978807 /nfs/dbraw/zinc/97/88/07/1312978807.db2.gz OGUCIHDKRSHHKW-LLVKDONJSA-N 1 0 345.239 2.790 20 10 EFCDRO Oc1c(C[N@@H+]2CCCC[C@](O)(CF)C2)cccc1OC(F)(F)F ZINC001233727141 1312978856 /nfs/dbraw/zinc/97/88/56/1312978856.db2.gz JCYDTQQGNYGAAB-AWEZNQCLSA-N 1 0 337.313 2.977 20 10 EFCDRO Oc1ccc(Br)cc1C[NH+]1CCC(n2cnnc2)CC1 ZINC001203646083 1312979773 /nfs/dbraw/zinc/97/97/73/1312979773.db2.gz ZYLQDTJVQPUXQP-UHFFFAOYSA-N 1 0 337.221 2.583 20 10 EFCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC001203649948 1312980255 /nfs/dbraw/zinc/98/02/55/1312980255.db2.gz KBDSIYWYKJTVTR-NSHDSACASA-N 1 0 342.233 2.930 20 10 EFCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(Br)ccc3O)C[C@@H]21 ZINC001203650208 1312980571 /nfs/dbraw/zinc/98/05/71/1312980571.db2.gz NEERPQHRASBWQE-RISCZKNCSA-N 1 0 325.250 2.681 20 10 EFCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001203655740 1312982164 /nfs/dbraw/zinc/98/21/64/1312982164.db2.gz CADHOINOCWRBRM-KRWDZBQOSA-N 1 0 330.819 2.690 20 10 EFCDRO Oc1ccc(Cl)cc1CN1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001203655724 1312982469 /nfs/dbraw/zinc/98/24/69/1312982469.db2.gz BRFGNGMKXBAHFB-UHFFFAOYSA-N 1 0 346.862 2.854 20 10 EFCDRO COc1cnc(OC2CC[NH+](Cc3cc(Cl)ccc3O)CC2)nc1 ZINC001203665672 1312984159 /nfs/dbraw/zinc/98/41/59/1312984159.db2.gz SYVHMDMEORBYRY-UHFFFAOYSA-N 1 0 349.818 2.888 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCCCN3C(C)=O)C2)c1 ZINC001203675161 1312987096 /nfs/dbraw/zinc/98/70/96/1312987096.db2.gz PFVLUCPIPSNBOL-LJQANCHMSA-N 1 0 332.444 2.768 20 10 EFCDRO CN(C)C(=O)[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233754827 1312984602 /nfs/dbraw/zinc/98/46/02/1312984602.db2.gz LZMNIFOVBDYOGJ-LBPRGKRZSA-N 1 0 346.349 2.591 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCCN(c3ccc(F)cn3)CC2)c1 ZINC001203669901 1312985206 /nfs/dbraw/zinc/98/52/06/1312985206.db2.gz HHSCIUFQUQXTKL-UHFFFAOYSA-N 1 0 331.391 2.647 20 10 EFCDRO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(O)c(O)c2Cl)[C@@H](C)C1 ZINC001193255307 1293216603 /nfs/dbraw/zinc/21/66/03/1293216603.db2.gz UIESCQMHGSSWEZ-CMPLNLGQSA-N 1 0 326.824 2.600 20 10 EFCDRO O=C(c1ccc(O)c(O)c1Cl)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001193225941 1293222646 /nfs/dbraw/zinc/22/26/46/1293222646.db2.gz SUDUCMYDYYJYNK-LBPRGKRZSA-N 1 0 338.835 2.842 20 10 EFCDRO C[C@H]1C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c2c1c(F)ccc2O ZINC000775585766 1293223870 /nfs/dbraw/zinc/22/38/70/1293223870.db2.gz IUFCWDJZBWFJSY-WCQYABFASA-N 1 0 329.437 2.884 20 10 EFCDRO CC[C@@H]1[N@H+](Cc2cc(OC)ccc2O)CCC[C@]12CCC(=O)N2C ZINC001203673295 1312986711 /nfs/dbraw/zinc/98/67/11/1312986711.db2.gz UKRZIRPNMPUWNX-HKUYNNGSSA-N 1 0 332.444 2.766 20 10 EFCDRO O=C1CCC2(CC[NH+](Cc3cccc(OC(F)(F)F)c3O)CC2)N1 ZINC001233775983 1312989813 /nfs/dbraw/zinc/98/98/13/1312989813.db2.gz IRWYRRCRDVCFCL-UHFFFAOYSA-N 1 0 344.333 2.535 20 10 EFCDRO C[S@@](=O)Cc1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000883118673 1293468494 /nfs/dbraw/zinc/46/84/94/1293468494.db2.gz CDXQIIDVDXERFL-JOCHJYFZSA-N 1 0 325.380 2.839 20 10 EFCDRO [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@H](CO)CC1CC1 ZINC000883175622 1293492737 /nfs/dbraw/zinc/49/27/37/1293492737.db2.gz LGUBSZDZAHQRCU-SNVBAGLBSA-N 1 0 332.213 2.792 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCOC4(CCOCC4)C3)c2c1 ZINC000131217765 1293505083 /nfs/dbraw/zinc/50/50/83/1293505083.db2.gz FFWRZEQPWRRYHN-UHFFFAOYSA-N 1 0 343.423 2.935 20 10 EFCDRO C[C@H](F)CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194367616 1293598503 /nfs/dbraw/zinc/59/85/03/1293598503.db2.gz JCEQHJJWUXBTNF-SWLSCSKDSA-N 1 0 349.410 2.743 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+]CC[C@@H]3CCCC[C@@H]3O)cc2F)CC1 ZINC001203870752 1313037623 /nfs/dbraw/zinc/03/76/23/1313037623.db2.gz BZNYJDJJIMIEBO-PXNSSMCTSA-N 1 0 349.494 2.608 20 10 EFCDRO Oc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)cc1O ZINC001203876659 1313038827 /nfs/dbraw/zinc/03/88/27/1313038827.db2.gz HBMCRYNVINRPNV-CABCVRRESA-N 1 0 345.468 2.651 20 10 EFCDRO Cc1ncc(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000775659052 1293939085 /nfs/dbraw/zinc/93/90/85/1293939085.db2.gz UMXZSURJZZEPTA-UHFFFAOYSA-N 1 0 330.501 2.835 20 10 EFCDRO COc1cc(O)c(C[N@@H+](Cc2ccccc2)C[C@H](C)O)cc1OC ZINC000775658655 1293940054 /nfs/dbraw/zinc/94/00/54/1293940054.db2.gz OGCMLYHADUFPNU-AWEZNQCLSA-N 1 0 331.412 2.792 20 10 EFCDRO Oc1ccc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1O ZINC001203882957 1313040398 /nfs/dbraw/zinc/04/03/98/1313040398.db2.gz YMYCBMLJLYYOSE-UHFFFAOYSA-N 1 0 330.403 2.945 20 10 EFCDRO CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000884202935 1294045464 /nfs/dbraw/zinc/04/54/64/1294045464.db2.gz LOXFVWZSYMSSNA-YJBOKZPZSA-N 1 0 347.503 2.710 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(CC4CC4)C3=O)C2)cc1 ZINC001203932128 1313049357 /nfs/dbraw/zinc/04/93/57/1313049357.db2.gz SQVGMSCOIYKYDX-NRFANRHFSA-N 1 0 341.499 2.977 20 10 EFCDRO CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(N(C)C)cc3)CC[C@@H]21 ZINC001203932990 1313050777 /nfs/dbraw/zinc/05/07/77/1313050777.db2.gz FNQKEGQIFRBUOB-MJGOQNOKSA-N 1 0 329.488 2.831 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)Cc2cn(C)nc21 ZINC001203931581 1313049752 /nfs/dbraw/zinc/04/97/52/1313049752.db2.gz JNNDMJPKONXXRF-QGZVFWFLSA-N 1 0 328.460 2.622 20 10 EFCDRO CC(C)Oc1ncnc2c1CC[N@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203932283 1313050500 /nfs/dbraw/zinc/05/05/00/1313050500.db2.gz XTFANYHWBCICPO-UHFFFAOYSA-N 1 0 340.471 2.931 20 10 EFCDRO Cc1cncnc1O[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203935222 1313051069 /nfs/dbraw/zinc/05/10/69/1313051069.db2.gz AJPKIKNYMPQDOH-SFHVURJKSA-N 1 0 326.444 2.894 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(Oc3ncc(F)cn3)CC2)cc1 ZINC001203937523 1313051666 /nfs/dbraw/zinc/05/16/66/1313051666.db2.gz UVLXQRAEQLYWGO-UHFFFAOYSA-N 1 0 330.407 2.725 20 10 EFCDRO COC1CC[NH+](C2CCN(Cc3ccc(N(C)C)cc3)CC2)CC1 ZINC001203937534 1313052015 /nfs/dbraw/zinc/05/20/15/1313052015.db2.gz VBCYWXPPNADEJG-UHFFFAOYSA-N 1 0 331.504 2.828 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCN(c3cncnc3)CC2)cc1 ZINC001203941936 1313052335 /nfs/dbraw/zinc/05/23/35/1313052335.db2.gz IFGDBAHHCLMRRV-UHFFFAOYSA-N 1 0 325.460 2.645 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN3CCOC[C@@H]3c3ccco3)cc2)CC1 ZINC000775696237 1294162864 /nfs/dbraw/zinc/16/28/64/1294162864.db2.gz ZDZNTNLAMZNLEV-LJQANCHMSA-N 1 0 341.455 2.605 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1OC ZINC000775724383 1294271504 /nfs/dbraw/zinc/27/15/04/1294271504.db2.gz BQBJXJUUHMHDET-HNNXBMFYSA-N 1 0 349.349 2.545 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)C[C@H]1C ZINC000775724589 1294283505 /nfs/dbraw/zinc/28/35/05/1294283505.db2.gz NXNWCYSRIGJMQK-ZWNOBZJWSA-N 1 0 342.233 2.704 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)C(F)F)cc1C ZINC000958819433 1294528513 /nfs/dbraw/zinc/52/85/13/1294528513.db2.gz KVCMZUWDWHWKTP-AWEZNQCLSA-N 1 0 326.387 2.739 20 10 EFCDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796376075 1294590447 /nfs/dbraw/zinc/59/04/47/1294590447.db2.gz LYDNKGXOAOAZRK-IIBYNOLFSA-N 1 0 349.478 2.864 20 10 EFCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CC3(CN(Cc4cn[nH]c4)C3)C2)c1 ZINC001276446227 1313097385 /nfs/dbraw/zinc/09/73/85/1313097385.db2.gz URJTUHMWFIQTMJ-UHFFFAOYSA-N 1 0 340.471 2.731 20 10 EFCDRO CN(C)c1ccc(CN2CC([N@H+](C)[C@@H]3CCOC3)C2)c2ccccc21 ZINC001204243426 1313107333 /nfs/dbraw/zinc/10/73/33/1313107333.db2.gz ZXDOFKXVFWTOBZ-QGZVFWFLSA-N 1 0 339.483 2.811 20 10 EFCDRO Oc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)c(O)c1 ZINC001204275106 1313113176 /nfs/dbraw/zinc/11/31/76/1313113176.db2.gz WXHUGWXWENERQQ-YLJYHZDGSA-N 1 0 347.455 2.753 20 10 EFCDRO O=C1N(c2ccsc2)CC[C@]12CC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204273737 1313113479 /nfs/dbraw/zinc/11/34/79/1313113479.db2.gz SRTISWBPHLJFOY-SFHVURJKSA-N 1 0 344.436 2.788 20 10 EFCDRO CC(C)(C)OC(=O)N1CCCC2(C[NH+](Cc3ccc(O)cc3O)C2)C1 ZINC001204276612 1313114485 /nfs/dbraw/zinc/11/44/85/1313114485.db2.gz OSHIXIJRLHZLAW-UHFFFAOYSA-N 1 0 348.443 2.931 20 10 EFCDRO COc1cccnc1O[C@H]1CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204278091 1313114885 /nfs/dbraw/zinc/11/48/85/1313114885.db2.gz SPTSUATYYIRRGU-HNNXBMFYSA-N 1 0 330.384 2.545 20 10 EFCDRO O=C(NC1CC[NH+](Cc2ccc(O)cc2O)CC1)c1ccc(F)cc1 ZINC001204277379 1313115038 /nfs/dbraw/zinc/11/50/38/1313115038.db2.gz BXBTUVRZURTFIU-UHFFFAOYSA-N 1 0 344.386 2.631 20 10 EFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2O)C1)c1ccccc1F ZINC001204278132 1313115084 /nfs/dbraw/zinc/11/50/84/1313115084.db2.gz VJGBMYCETYWVQU-CQSZACIVSA-N 1 0 344.386 2.631 20 10 EFCDRO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(O)cc1O ZINC001204279250 1313115244 /nfs/dbraw/zinc/11/52/44/1313115244.db2.gz UARJIFAEMSRONZ-JSGCOSHPSA-N 1 0 336.432 2.975 20 10 EFCDRO C[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)C[C@H]1NC(=O)OC(C)(C)C ZINC001204277340 1313115259 /nfs/dbraw/zinc/11/52/59/1313115259.db2.gz ZXWWJDQOWHNXEP-IUODEOHRSA-N 1 0 336.432 2.833 20 10 EFCDRO Oc1ccc(C[NH+]2CCN(c3nccc4ccccc43)CC2)c(O)c1 ZINC001204278755 1313115390 /nfs/dbraw/zinc/11/53/90/1313115390.db2.gz JOFCUOOMBMRGGS-UHFFFAOYSA-N 1 0 335.407 2.968 20 10 EFCDRO CC(C)(C)OC(=O)NC1CC2(C1)C[NH+](Cc1ccc(O)cc1O)C2 ZINC001204279430 1313116069 /nfs/dbraw/zinc/11/60/69/1313116069.db2.gz YWDUAHFVIXRIIP-UHFFFAOYSA-N 1 0 334.416 2.587 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)NCCc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000775834355 1294977894 /nfs/dbraw/zinc/97/78/94/1294977894.db2.gz SHETZKPPSGPNFS-OAHLLOKOSA-N 1 0 343.446 2.901 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@]3(CCCO3)C2)c1O ZINC001204336202 1313124734 /nfs/dbraw/zinc/12/47/34/1313124734.db2.gz GRAZKOOIKUJMDX-OAHLLOKOSA-N 1 0 342.233 2.918 20 10 EFCDRO Cc1ccnc(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)n1 ZINC001204329190 1313123257 /nfs/dbraw/zinc/12/32/57/1313123257.db2.gz FMKMHVQBWKQGNJ-UHFFFAOYSA-N 1 0 337.471 2.707 20 10 EFCDRO c1cnc(N2CC[C@]23CC[N@@H+](Cc2ccc(N4CCCC4)cc2)C3)nc1 ZINC001204327886 1313123339 /nfs/dbraw/zinc/12/33/39/1313123339.db2.gz LQDNUKFZCFXQGM-NRFANRHFSA-N 1 0 349.482 2.932 20 10 EFCDRO COC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)Cc2cn(C)nc21 ZINC001204327867 1313123399 /nfs/dbraw/zinc/12/33/99/1313123399.db2.gz KVHCIMKSXFUWRS-GOSISDBHSA-N 1 0 340.471 2.766 20 10 EFCDRO COc1cc(Br)cc(C[N@H+]2CC[C@@H](O)[C@@H](C)CC2)c1O ZINC001204336485 1313125081 /nfs/dbraw/zinc/12/50/81/1313125081.db2.gz SIAOTSAJHVZTIO-GXFFZTMASA-N 1 0 344.249 2.756 20 10 EFCDRO CCOC(=O)CC[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC001204339968 1313125190 /nfs/dbraw/zinc/12/51/90/1313125190.db2.gz ZFXHAMJCNWPPKM-UHFFFAOYSA-N 1 0 346.221 2.548 20 10 EFCDRO COc1cc(Br)cc(C[NH+]2CC([C@H](C)OC)C2)c1O ZINC001204341972 1313125573 /nfs/dbraw/zinc/12/55/73/1313125573.db2.gz MLXQAGUKHOLETR-VIFPVBQESA-N 1 0 330.222 2.630 20 10 EFCDRO COc1cc(CN2CC[N@H+](C)[C@H](c3ccccc3)C2)cc(O)c1O ZINC001204342546 1313126351 /nfs/dbraw/zinc/12/63/51/1313126351.db2.gz NDWOFULQFCHAAY-INIZCTEOSA-N 1 0 328.412 2.595 20 10 EFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CC[C@H]3C3CC3)cc2)CC1 ZINC000886749392 1295134475 /nfs/dbraw/zinc/13/44/75/1295134475.db2.gz RMTZUOBARXYZPW-OALUTQOASA-N 1 0 327.472 2.667 20 10 EFCDRO COCC[N@@H+](Cc1cc(Cl)c(C)cc1O)C[C@H](O)C(F)(F)F ZINC000826534062 1295270556 /nfs/dbraw/zinc/27/05/56/1295270556.db2.gz CLKBVORMNVRPRI-ZDUSSCGKSA-N 1 0 341.757 2.726 20 10 EFCDRO CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3c([O-])cccc3F)CC2)C1 ZINC001276360543 1295350758 /nfs/dbraw/zinc/35/07/58/1295350758.db2.gz VBLYFWVUYFLKSD-UHFFFAOYSA-N 1 0 349.494 2.771 20 10 EFCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CC23CC[NH+](C2CC2)CC3)cc1 ZINC001274023123 1295420629 /nfs/dbraw/zinc/42/06/29/1295420629.db2.gz RJXWLPXCYAGJIA-SFHVURJKSA-N 1 0 327.472 2.633 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@]3(CCN(CC(F)F)C3=O)C2)c1O ZINC001274100063 1295452273 /nfs/dbraw/zinc/45/22/73/1295452273.db2.gz UKJNGULSMSOOGC-KRWDZBQOSA-N 1 0 342.361 2.529 20 10 EFCDRO CC[N@H+](CCN1CCOCC1)Cc1c(O)ccc2ccc(OC)cc21 ZINC001234562500 1313158372 /nfs/dbraw/zinc/15/83/72/1313158372.db2.gz OLLCKSQACYWXCH-UHFFFAOYSA-N 1 0 344.455 2.708 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@H+](C)[C@@H]3CCCN(C(C)=O)C3)c2c1 ZINC001234570272 1313160212 /nfs/dbraw/zinc/16/02/12/1313160212.db2.gz XOLZGLRZHAGOHO-MRXNPFEDSA-N 1 0 342.439 2.997 20 10 EFCDRO COc1cc(Br)cc(CN2C[C@H](C)[N@H+](C)C[C@@H]2C)c1O ZINC000775984900 1295561541 /nfs/dbraw/zinc/56/15/41/1295561541.db2.gz HSMNOIJVXHEHBM-QWRGUYRKSA-N 1 0 343.265 2.688 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(CNCCC[NH3+])n2)cc1 ZINC001204612566 1313172975 /nfs/dbraw/zinc/17/29/75/1313172975.db2.gz QDSSBLVAIODWME-UHFFFAOYSA-N 1 0 325.416 2.583 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)C[C@H](C)OC)CC2)cc1C ZINC001199715557 1295701677 /nfs/dbraw/zinc/70/16/77/1295701677.db2.gz FBGDDVDKJCHFFT-HNNXBMFYSA-N 1 0 334.460 2.509 20 10 EFCDRO CCOCCC(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001199749805 1295726670 /nfs/dbraw/zinc/72/66/70/1295726670.db2.gz YJKVVNPCNONJRL-UHFFFAOYSA-N 1 0 334.460 2.511 20 10 EFCDRO CC[NH+]1CCN(c2ccc(OC3CCC(C(=O)OC)CC3)cc2)CC1 ZINC001234657192 1313178973 /nfs/dbraw/zinc/17/89/73/1313178973.db2.gz CKUSKSNKVWMGRZ-UHFFFAOYSA-N 1 0 346.471 2.939 20 10 EFCDRO CCOC(=O)[C@H]1CC[C@@H](Oc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC001234661891 1313180065 /nfs/dbraw/zinc/18/00/65/1313180065.db2.gz WYXWCJIQVHEBGM-QFBILLFUSA-N 1 0 346.471 2.939 20 10 EFCDRO CCOC(=O)[C@@H]1CC[C@@H](Oc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC001234661894 1313180067 /nfs/dbraw/zinc/18/00/67/1313180067.db2.gz WYXWCJIQVHEBGM-VQIMIIECSA-N 1 0 346.471 2.939 20 10 EFCDRO C[C@@H]1[C@H](C)CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000889661020 1295792721 /nfs/dbraw/zinc/79/27/21/1295792721.db2.gz OQCPGLMVMPHCEP-ZACQAIPSSA-N 1 0 344.503 2.624 20 10 EFCDRO C[C@H]1CC(C)(C)CN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889661294 1295793135 /nfs/dbraw/zinc/79/31/35/1295793135.db2.gz WIGBEJRRWDUYNQ-INIZCTEOSA-N 1 0 344.503 2.768 20 10 EFCDRO CCN(C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000889670011 1295795736 /nfs/dbraw/zinc/79/57/36/1295795736.db2.gz WIERBBHYRLCMOG-UHFFFAOYSA-N 1 0 330.476 2.522 20 10 EFCDRO C[C@@H]1CCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000889669856 1295795853 /nfs/dbraw/zinc/79/58/53/1295795853.db2.gz UIWUUCHFJBTJRB-SJORKVTESA-N 1 0 344.503 2.768 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(N2CCOCC2)c(F)c1 ZINC000305075530 1295876002 /nfs/dbraw/zinc/87/60/02/1295876002.db2.gz NPEUEAWSAXLFOZ-SUMWQHHRSA-N 1 0 334.391 2.640 20 10 EFCDRO COC[C@@H](C)C(=O)N1CCC(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001204773474 1313193429 /nfs/dbraw/zinc/19/34/29/1313193429.db2.gz VNMXBJSBNPVPOB-MRXNPFEDSA-N 1 0 348.487 2.614 20 10 EFCDRO Cc1cccc(CNc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)c1O ZINC000777494392 1296038584 /nfs/dbraw/zinc/03/85/84/1296038584.db2.gz PLMQLZSYNDATEE-UHFFFAOYSA-N 1 0 341.411 2.782 20 10 EFCDRO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(C)cccc1O ZINC001274301834 1296056144 /nfs/dbraw/zinc/05/61/44/1296056144.db2.gz SPDWVTCBKOHHIZ-YWZLYKJASA-N 1 0 344.455 2.635 20 10 EFCDRO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2cnc(N(C)C)nc2)n1C ZINC001204983549 1313217799 /nfs/dbraw/zinc/21/77/99/1313217799.db2.gz PJCHSKVLYSPCOC-UHFFFAOYSA-N 1 0 339.399 2.581 20 10 EFCDRO Oc1c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)cccc1-c1ccccc1 ZINC001234997085 1313218694 /nfs/dbraw/zinc/21/86/94/1313218694.db2.gz RKZATSHTNHWVKC-IBGZPJMESA-N 1 0 338.451 2.966 20 10 EFCDRO COC(=O)C1(O)CC[NH+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234996306 1313218772 /nfs/dbraw/zinc/21/87/72/1313218772.db2.gz ACQGDCVZKHATIZ-UHFFFAOYSA-N 1 0 341.407 2.559 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@]23CCN(CC(C)C)C3=O)c(O)c1 ZINC001274660339 1296132530 /nfs/dbraw/zinc/13/25/30/1296132530.db2.gz IZEJIQUASYOOPS-HXUWFJFHSA-N 1 0 346.471 2.932 20 10 EFCDRO C[C@]1(CO)CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C[C@H]1O ZINC001234997794 1313220048 /nfs/dbraw/zinc/22/00/48/1313220048.db2.gz DZNRGUNWWMFVOJ-UYAOXDASSA-N 1 0 327.424 2.624 20 10 EFCDRO CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C(F)(F)F)cc1O)CC2 ZINC001273836022 1296231072 /nfs/dbraw/zinc/23/10/72/1296231072.db2.gz LXFGDKGNOJOUMD-ZDUSSCGKSA-N 1 0 342.361 2.759 20 10 EFCDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C(F)(F)F)cc1O)CC2 ZINC001273836021 1296231141 /nfs/dbraw/zinc/23/11/41/1296231141.db2.gz LXFGDKGNOJOUMD-CYBMUJFWSA-N 1 0 342.361 2.759 20 10 EFCDRO O=C(CCc1ccc[nH]1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccccc1O ZINC001275266804 1296247193 /nfs/dbraw/zinc/24/71/93/1296247193.db2.gz WWVVCKOYPKMFBL-ROUUACIJSA-N 1 0 339.439 2.528 20 10 EFCDRO COc1cc(O)c(C[NH2+]CCN2CCCc3ccccc32)cc1OC ZINC000776089975 1296264219 /nfs/dbraw/zinc/26/42/19/1296264219.db2.gz YNTXGTAWEFWDIU-UHFFFAOYSA-N 1 0 342.439 2.952 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2CCCCC23C[NH2+]C3)c1 ZINC001235105624 1313242607 /nfs/dbraw/zinc/24/26/07/1313242607.db2.gz ULYVQTPPAZADAN-UHFFFAOYSA-N 1 0 325.250 2.791 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CNCCO3)C2)c2ccccc21 ZINC001235114425 1313244489 /nfs/dbraw/zinc/24/44/89/1313244489.db2.gz LQTJCJWOXOPFSD-OAQYLSRUSA-N 1 0 339.483 2.860 20 10 EFCDRO Cc1cc(Br)cc(CN2CCC[C@@]23CC[NH2+]C3)c1O ZINC001235110171 1313243736 /nfs/dbraw/zinc/24/37/36/1313243736.db2.gz JCGMFKPWGCNPTK-HNNXBMFYSA-N 1 0 325.250 2.791 20 10 EFCDRO CCn1ccnc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1O ZINC001275908761 1296445909 /nfs/dbraw/zinc/44/59/09/1296445909.db2.gz IQEVDRGMDAHRHS-IRXDYDNUSA-N 1 0 344.434 2.597 20 10 EFCDRO COc1ccc(Br)c(CN2CCC[C@](C)([NH3+])CC2)c1O ZINC001205280765 1313263987 /nfs/dbraw/zinc/26/39/87/1313263987.db2.gz IHQXSZJDFWHQLA-HNNXBMFYSA-N 1 0 343.265 2.867 20 10 EFCDRO COc1cc(O)c(CN2CCC[C@@](C)([NH3+])CC2)cc1Br ZINC001205288594 1313264769 /nfs/dbraw/zinc/26/47/69/1313264769.db2.gz LTZNJGBWZSPTDK-OAHLLOKOSA-N 1 0 343.265 2.867 20 10 EFCDRO COc1cc(O)c(CN2CCC[C@](C)([NH3+])CC2)cc1Br ZINC001205288593 1313264800 /nfs/dbraw/zinc/26/48/00/1313264800.db2.gz LTZNJGBWZSPTDK-HNNXBMFYSA-N 1 0 343.265 2.867 20 10 EFCDRO C[C@H]1CCN(Cc2cc(F)cc(Br)c2[O-])C[C@H]1C[NH3+] ZINC001205316442 1313269274 /nfs/dbraw/zinc/26/92/74/1313269274.db2.gz IZWWCNPFXHAZMN-GXSJLCMTSA-N 1 0 331.229 2.711 20 10 EFCDRO CCOC(=O)c1c(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c2ccccc2n1C ZINC001235265655 1313278792 /nfs/dbraw/zinc/27/87/92/1313278792.db2.gz CWSRXYWJAOGYFK-YOEHRIQHSA-N 1 0 341.455 2.539 20 10 EFCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(F)cc(Br)c3[O-])C[C@@H]21 ZINC001235305329 1313287024 /nfs/dbraw/zinc/28/70/24/1313287024.db2.gz LXCMTPLPJMJYAN-YGRLFVJLSA-N 1 0 343.240 2.820 20 10 EFCDRO CCOc1ccc(C[NH2+][C@@H]2COc3c(cccc3OC)C2)c(O)c1 ZINC000776173114 1296810505 /nfs/dbraw/zinc/81/05/05/1296810505.db2.gz YUMCMCOTFPFJLY-HNNXBMFYSA-N 1 0 329.396 2.893 20 10 EFCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000777564732 1296857471 /nfs/dbraw/zinc/85/74/71/1296857471.db2.gz CBDWKEQODSCEIB-GFCCVEGCSA-N 1 0 330.350 2.509 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccccc2S(C)(=O)=O)c(O)c1 ZINC000926908476 1296973839 /nfs/dbraw/zinc/97/38/39/1296973839.db2.gz PXSQUQVGNYMQGJ-AWEZNQCLSA-N 1 0 333.453 2.997 20 10 EFCDRO CC(C)[C@@H]1CN(Cc2ccc(OCC(F)(F)F)cc2O)CC[NH2+]1 ZINC001235474662 1313332117 /nfs/dbraw/zinc/33/21/17/1313332117.db2.gz DDUWAHHQWUFYND-AWEZNQCLSA-N 1 0 332.366 2.763 20 10 EFCDRO COc1cc(O)c(CN2CC[NH2+][C@H](C(C)C)C2)c(Br)c1 ZINC001235475112 1313332628 /nfs/dbraw/zinc/33/26/28/1313332628.db2.gz LZJBQUWRLKPOFU-AWEZNQCLSA-N 1 0 343.265 2.593 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@H](C)[C@@H]2CCOC2)c1O ZINC000776219381 1297131126 /nfs/dbraw/zinc/13/11/26/1297131126.db2.gz OLJHMLICCNTEEU-NXEZZACHSA-N 1 0 330.222 2.678 20 10 EFCDRO C[C@H](NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000776245040 1297221314 /nfs/dbraw/zinc/22/13/14/1297221314.db2.gz HEDXREGZXQGAFO-HOTGVXAUSA-N 1 0 332.492 2.797 20 10 EFCDRO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000776244821 1297222512 /nfs/dbraw/zinc/22/25/12/1297222512.db2.gz GCFORSXOKVURTE-RDJZCZTQSA-N 1 0 332.492 2.986 20 10 EFCDRO Cc1cc(CN2CCC(F)(F)[C@@H](C[NH3+])C2)c(O)cc1Br ZINC001205796941 1313357324 /nfs/dbraw/zinc/35/73/24/1313357324.db2.gz VLJMMUDWIKGLQF-NSHDSACASA-N 1 0 349.219 2.879 20 10 EFCDRO Cc1cc(O)c(CN2CCC(F)(F)[C@@H](C[NH3+])C2)cc1Br ZINC001205797077 1313357372 /nfs/dbraw/zinc/35/73/72/1313357372.db2.gz YQZYZISWWFSSPB-NSHDSACASA-N 1 0 349.219 2.879 20 10 EFCDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000776239194 1297225215 /nfs/dbraw/zinc/22/52/15/1297225215.db2.gz RRXDBBWRKCRNJM-CVEARBPZSA-N 1 0 332.492 2.797 20 10 EFCDRO C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccc(N(C)C)cc1 ZINC000776242604 1297243340 /nfs/dbraw/zinc/24/33/40/1297243340.db2.gz AAYDCSWTYWUNIR-KVSKMBFKSA-N 1 0 344.503 2.939 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(F)nc2)[NH+](C)C)cc1 ZINC000930424210 1297264657 /nfs/dbraw/zinc/26/46/57/1297264657.db2.gz LRDYJYADNLRAIO-INIZCTEOSA-N 1 0 345.422 2.711 20 10 EFCDRO CC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001273932278 1297271401 /nfs/dbraw/zinc/27/14/01/1297271401.db2.gz BNQHAWDPZSQKFY-UZLBHIALSA-N 1 0 329.488 2.976 20 10 EFCDRO C[C@H](CCO)C1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000776256922 1297287117 /nfs/dbraw/zinc/28/71/17/1297287117.db2.gz HLDYXGHWRDLUNS-QGZVFWFLSA-N 1 0 332.488 2.802 20 10 EFCDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C(C)(C)C)cc1O ZINC001235679686 1313373226 /nfs/dbraw/zinc/37/32/26/1313373226.db2.gz PXDAOMQPOLPBSC-RBUKOAKNSA-N 1 0 345.531 2.900 20 10 EFCDRO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235681771 1313373636 /nfs/dbraw/zinc/37/36/36/1313373636.db2.gz QFAWRTKZIFWKCM-MRXNPFEDSA-N 1 0 333.476 2.925 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](NC(=O)CSC)C23CCC3)cc1C ZINC001202406554 1297366333 /nfs/dbraw/zinc/36/63/33/1297366333.db2.gz JRYHLDVAGCCZGB-SJORKVTESA-N 1 0 348.512 2.884 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CSC)C23CCC3)cc1C ZINC001202406553 1297366812 /nfs/dbraw/zinc/36/68/12/1297366812.db2.gz JRYHLDVAGCCZGB-IRXDYDNUSA-N 1 0 348.512 2.884 20 10 EFCDRO CCCCN(CCCC)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205972970 1313383566 /nfs/dbraw/zinc/38/35/66/1313383566.db2.gz DUGGRNALFLRNCS-UYAOXDASSA-N 1 0 349.519 2.693 20 10 EFCDRO COc1cc(O)c(CN2CC[NH2+]C[C@H]2c2ccccc2F)c(OC)c1 ZINC001235735562 1313385020 /nfs/dbraw/zinc/38/50/20/1313385020.db2.gz HYDQLSNQWMAHPJ-KRWDZBQOSA-N 1 0 346.402 2.695 20 10 EFCDRO COc1ccc2c(c1)c1c(n2C)CCN(CC[C@H]2COC(C)(C)[NH2+]2)C1 ZINC001235838775 1313406635 /nfs/dbraw/zinc/40/66/35/1313406635.db2.gz BVXWHGQMXPIOCE-AWEZNQCLSA-N 1 0 343.471 2.660 20 10 EFCDRO CCOc1cccc(CN2CC[NH2+]C[C@H]2Cc2ccccc2)c1O ZINC001235846956 1313408774 /nfs/dbraw/zinc/40/87/74/1313408774.db2.gz ASVMFDXGZKUMSL-GOSISDBHSA-N 1 0 326.440 2.807 20 10 EFCDRO Clc1cc(CN2CC3(C2)CCCC[NH2+]3)ccc1N1CCOCC1 ZINC001235920578 1313418077 /nfs/dbraw/zinc/41/80/77/1313418077.db2.gz BOYUFDMALZUZSK-UHFFFAOYSA-N 1 0 335.879 2.505 20 10 EFCDRO COCCCN(Cc1ccc(N(C)C)cc1Cl)C1CC[NH2+]CC1 ZINC001235937922 1313420064 /nfs/dbraw/zinc/42/00/64/1313420064.db2.gz UEAYNVPZTUTATJ-UHFFFAOYSA-N 1 0 339.911 2.997 20 10 EFCDRO [NH3+][C@]12CC[C@@H]1CN(Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC001235998170 1313429680 /nfs/dbraw/zinc/42/96/80/1313429680.db2.gz XOGJKHAWSGZMDU-RNCFNFMXSA-N 1 0 331.641 2.731 20 10 EFCDRO CCOC(=O)c1c(CN(C)C[C@H]2CCC[NH2+]C2)c2ccccc2n1C ZINC001235956445 1313423245 /nfs/dbraw/zinc/42/32/45/1313423245.db2.gz DCJZOJFFRJZYIJ-HNNXBMFYSA-N 1 0 343.471 2.786 20 10 EFCDRO Cc1cc(Br)cc(CN2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1O ZINC001235958748 1313423274 /nfs/dbraw/zinc/42/32/74/1313423274.db2.gz DDPOHBACXQATBY-GNXNZQSNSA-N 1 0 325.250 2.632 20 10 EFCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304525 1313433066 /nfs/dbraw/zinc/43/30/66/1313433066.db2.gz MCMUGXSUCPGJIN-LJQANCHMSA-N 1 0 330.428 2.758 20 10 EFCDRO COC(=O)c1c(CN2CCCC[C@@](F)(C[NH3+])C2)c2ccccc2n1C ZINC001206360746 1313441767 /nfs/dbraw/zinc/44/17/67/1313441767.db2.gz AJRRIQKGQDBALN-LJQANCHMSA-N 1 0 347.434 2.618 20 10 EFCDRO COc1cc(C)c(CN2CC[NH2+]C[C@H]2c2ccc(F)cc2)c(O)c1 ZINC001236127017 1313444140 /nfs/dbraw/zinc/44/41/40/1313444140.db2.gz AOAKEGDOQNAOLF-SFHVURJKSA-N 1 0 330.403 2.995 20 10 EFCDRO Cc1cc(CN2CCC23C[NH+](Cc2c(C)cc(C)cc2O)C3)n(C)n1 ZINC001276365030 1297975862 /nfs/dbraw/zinc/97/58/62/1297975862.db2.gz ICSHYUTZGLDKGH-UHFFFAOYSA-N 1 0 340.471 2.511 20 10 EFCDRO Cc1cc(C)c(C[N@@H+]2CCCC3(CN(Cc4cn[nH]c4)C3)C2)c(O)c1 ZINC001276365028 1297976286 /nfs/dbraw/zinc/97/62/86/1297976286.db2.gz HZFHVZWGLGYZJU-UHFFFAOYSA-N 1 0 340.471 2.830 20 10 EFCDRO CCC[C@H]1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC[NH2+]1 ZINC001236177936 1313451878 /nfs/dbraw/zinc/45/18/78/1313451878.db2.gz GKNBCCPYAXOJLG-INIZCTEOSA-N 1 0 337.895 2.751 20 10 EFCDRO Oc1ccc(Br)cc1CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216090 1313456563 /nfs/dbraw/zinc/45/65/63/1313456563.db2.gz IQSHRKIBKQMDQO-AWEZNQCLSA-N 1 0 325.250 2.871 20 10 EFCDRO CN(Cc1cc2c3c(c1O)CCCN3CCC2)[C@@]1(C)CCC[NH2+]C1 ZINC001236207590 1313455506 /nfs/dbraw/zinc/45/55/06/1313455506.db2.gz OSUAICGLDQQTFY-FQEVSTJZSA-N 1 0 329.488 2.665 20 10 EFCDRO CCOC(=O)c1c(CN(C)C2(C)CC[NH2+]CC2)c2ccccc2n1C ZINC001236226719 1313457682 /nfs/dbraw/zinc/45/76/82/1313457682.db2.gz RUQKTQPHGAGVHB-UHFFFAOYSA-N 1 0 343.471 2.929 20 10 EFCDRO Clc1cc(CN(C2CC2)[C@@H]2CCC[NH2+]C2)ccc1N1CCOCC1 ZINC001236239918 1313459939 /nfs/dbraw/zinc/45/99/39/1313459939.db2.gz JCCAJBRCACVGFQ-QGZVFWFLSA-N 1 0 349.906 2.893 20 10 EFCDRO CCCN(Cc1cc2c3c(c1O)CCCN3CCC2)[C@@H]1CC[NH2+]C1 ZINC001236323207 1313469134 /nfs/dbraw/zinc/46/91/34/1313469134.db2.gz GKYOEKWHNDOXHJ-QGZVFWFLSA-N 1 0 329.488 2.665 20 10 EFCDRO CCCN(Cc1c(O)cc(OC)cc1Br)[C@@H]1CC[NH2+]C1 ZINC001236322931 1313469218 /nfs/dbraw/zinc/46/92/18/1313469218.db2.gz AVWCQTJNAUZTSY-LLVKDONJSA-N 1 0 343.265 2.737 20 10 EFCDRO CCCN(Cc1cc(Br)c(OC)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236322763 1313469482 /nfs/dbraw/zinc/46/94/82/1313469482.db2.gz AHJHKENFMJEOCK-GFCCVEGCSA-N 1 0 343.265 2.737 20 10 EFCDRO COCCN(Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@@H]1CCC[NH2+]C1 ZINC001236326126 1313469846 /nfs/dbraw/zinc/46/98/46/1313469846.db2.gz AHQUWGDIBABQIW-MRXNPFEDSA-N 1 0 346.471 2.777 20 10 EFCDRO COCCN(Cc1ccc(N(C)C)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC001236330210 1313470681 /nfs/dbraw/zinc/47/06/81/1313470681.db2.gz MLNCCMXZSZLSJG-INIZCTEOSA-N 1 0 325.884 2.606 20 10 EFCDRO COCCN(Cc1ccc(-n2c(C)ccc2C)cc1)[C@H]1CC[NH2+]C1 ZINC001236332687 1313471336 /nfs/dbraw/zinc/47/13/36/1313471336.db2.gz HQTTYBMNBGDXMB-FQEVSTJZSA-N 1 0 327.472 2.904 20 10 EFCDRO COCCN(Cc1ccc(C(F)(F)F)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236331667 1313471431 /nfs/dbraw/zinc/47/14/31/1313471431.db2.gz PJEDNLWLQVMJRJ-CQSZACIVSA-N 1 0 332.366 2.611 20 10 EFCDRO COCCN(Cc1cc2c3c(c1)CCCN3CCC2)[C@@H]1CCC[NH2+]C1 ZINC001236333749 1313471575 /nfs/dbraw/zinc/47/15/75/1313471575.db2.gz YALGKQINJLOMSP-HXUWFJFHSA-N 1 0 343.515 2.586 20 10 EFCDRO Nc1cc(Nc2c(N)ccc3c2C(=O)c2ccccc2C3=O)cc[nH+]1 ZINC001206567796 1313477620 /nfs/dbraw/zinc/47/76/20/1313477620.db2.gz FOHNNBQSVMFBFC-UHFFFAOYSA-N 1 0 330.347 2.765 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[C@H]([NH3+])[C@H]2C)c2ccccc2n1C ZINC001236419673 1313478577 /nfs/dbraw/zinc/47/85/77/1313478577.db2.gz MEEJXDDSWARGJR-CJNGLKHVSA-N 1 0 329.444 2.667 20 10 EFCDRO CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001049918676 1313483955 /nfs/dbraw/zinc/48/39/55/1313483955.db2.gz SDZZITLOHJQVAS-GJZGRUSLSA-N 1 0 329.404 2.548 20 10 EFCDRO CC(C)N(Cc1cc(F)cc(Br)c1[O-])[C@@H]1CC[NH2+]C1 ZINC001236531241 1313489000 /nfs/dbraw/zinc/48/90/00/1313489000.db2.gz WSSCUNYARJUQAG-GFCCVEGCSA-N 1 0 331.229 2.866 20 10 EFCDRO COCC1(C)CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000779606854 1298373281 /nfs/dbraw/zinc/37/32/81/1298373281.db2.gz YZJSNMRHDNANFH-UHFFFAOYSA-N 1 0 336.451 2.911 20 10 EFCDRO COC(=O)CC[N@H+](Cc1cc(C)cc(Br)c1[O-])C1CC1 ZINC001236671056 1313507001 /nfs/dbraw/zinc/50/70/01/1313507001.db2.gz RXCCDSSCGJWRRN-UHFFFAOYSA-N 1 0 342.233 2.991 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)c(O)c1 ZINC001236706560 1313515295 /nfs/dbraw/zinc/51/52/95/1313515295.db2.gz ZLCJAPGRLFGUFD-UHFFFAOYSA-N 1 0 330.403 3.000 20 10 EFCDRO Cc1cc(C)c(C[NH+]2CC3(C2)CCN(C(=O)NC(C)C)C3)c(O)c1 ZINC001276365269 1298521235 /nfs/dbraw/zinc/52/12/35/1298521235.db2.gz MZPQTBSAZUTIGS-UHFFFAOYSA-N 1 0 331.460 2.635 20 10 EFCDRO COC[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(Br)cc1O ZINC001236744897 1313520916 /nfs/dbraw/zinc/52/09/16/1313520916.db2.gz IIIRBRHANUGDBV-NSHDSACASA-N 1 0 330.222 2.774 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](O)CC2)c(O)cc1Br ZINC001236746562 1313521012 /nfs/dbraw/zinc/52/10/12/1313521012.db2.gz DSMJSGRFBSGLAD-MFKMUULPSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)c(O)cc1Br ZINC001236744700 1313521096 /nfs/dbraw/zinc/52/10/96/1313521096.db2.gz BQOCLZFTFNGSQN-ZUZCIYMTSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c(O)cc1Br ZINC001236748061 1313521166 /nfs/dbraw/zinc/52/11/66/1313521166.db2.gz KQFIFFMSYLNDGD-HAQNSBGRSA-N 1 0 344.249 2.899 20 10 EFCDRO COC[C@H]1CCC[N@@H+]1Cc1cc(OC)c(Br)cc1O ZINC001236744896 1313521286 /nfs/dbraw/zinc/52/12/86/1313521286.db2.gz IIIRBRHANUGDBV-LLVKDONJSA-N 1 0 330.222 2.774 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)cc1OC ZINC001236750075 1313521638 /nfs/dbraw/zinc/52/16/38/1313521638.db2.gz OAPNSOAFWOHVJO-HNNXBMFYSA-N 1 0 349.349 2.689 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCc3cc4c(cc3C2)OCO4)cc1OC ZINC001236750681 1313521767 /nfs/dbraw/zinc/52/17/67/1313521767.db2.gz WXPBPMOLYWOPAS-UHFFFAOYSA-N 1 0 343.379 2.696 20 10 EFCDRO CCC1(O)CC[NH+](Cc2cc(OC)c(Br)cc2O)CC1 ZINC001236753163 1313522126 /nfs/dbraw/zinc/52/21/26/1313522126.db2.gz KBOLFBKCYOORFJ-UHFFFAOYSA-N 1 0 344.249 2.900 20 10 EFCDRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000305754157 1298549854 /nfs/dbraw/zinc/54/98/54/1298549854.db2.gz VVFSMBXWVHPXQD-KBXCAEBGSA-N 1 0 348.418 2.857 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)cc1OC ZINC001236754537 1313523184 /nfs/dbraw/zinc/52/31/84/1313523184.db2.gz TVFAIDYDKVQHNK-INIZCTEOSA-N 1 0 344.411 2.848 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)cc1OC ZINC001236754553 1313523421 /nfs/dbraw/zinc/52/34/21/1313523421.db2.gz TVFAIDYDKVQHNK-MRXNPFEDSA-N 1 0 344.411 2.848 20 10 EFCDRO CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001236757813 1313523441 /nfs/dbraw/zinc/52/34/41/1313523441.db2.gz PPRMVGUKKNFDRP-SFHVURJKSA-N 1 0 337.416 2.575 20 10 EFCDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc(O)c(Br)cc1O ZINC001236763280 1313524258 /nfs/dbraw/zinc/52/42/58/1313524258.db2.gz XWFJDKSHYWPVNO-CYBMUJFWSA-N 1 0 330.222 2.596 20 10 EFCDRO CCN(CC)c1ccc(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1F ZINC000903972005 1313519370 /nfs/dbraw/zinc/51/93/70/1313519370.db2.gz FPUDYZFKVAHNMV-KRWDZBQOSA-N 1 0 349.494 2.920 20 10 EFCDRO C[C@H]1C[N@H+](Cc2cc(O)c(Br)cc2O)CCC[C@@]1(C)O ZINC001236769577 1313525480 /nfs/dbraw/zinc/52/54/80/1313525480.db2.gz WEMWSPVQWOXAHA-ZUZCIYMTSA-N 1 0 344.249 2.843 20 10 EFCDRO COCC1CC[NH+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001236773087 1313525749 /nfs/dbraw/zinc/52/57/49/1313525749.db2.gz NHALGTFVFRQBSZ-UHFFFAOYSA-N 1 0 330.222 2.719 20 10 EFCDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(O)c(Br)cc2O)C1 ZINC001236770682 1313526170 /nfs/dbraw/zinc/52/61/70/1313526170.db2.gz JQAOIVCPHJQBBK-GFCCVEGCSA-N 1 0 343.265 2.776 20 10 EFCDRO Oc1cc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c(O)cc1Br ZINC001236775309 1313527187 /nfs/dbraw/zinc/52/71/87/1313527187.db2.gz MMBUWWYKADTGKO-GFCCVEGCSA-N 1 0 341.249 2.530 20 10 EFCDRO CC(=O)[C@@H]1CN(Cc2cc(OCc3ccccc3)ccc2O)CCO1 ZINC001236783470 1313527559 /nfs/dbraw/zinc/52/75/59/1313527559.db2.gz SKZGESBWPVVOEN-FQEVSTJZSA-N 1 0 341.407 2.761 20 10 EFCDRO Oc1ccc(OCc2ccccc2)cc1C[N@@H+]1CCC2(C1)OCCO2 ZINC001236784611 1313528249 /nfs/dbraw/zinc/52/82/49/1313528249.db2.gz HGZYAQNFCOIWEB-UHFFFAOYSA-N 1 0 341.407 2.920 20 10 EFCDRO CCc1ccc(C[NH+]2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001236786439 1313528586 /nfs/dbraw/zinc/52/85/86/1313528586.db2.gz PAHNUTWXCKZBMJ-PMACEKPBSA-N 1 0 337.467 2.913 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2ccc(CC)cc2O)Cc2cnn(C)c21 ZINC001236786022 1313528630 /nfs/dbraw/zinc/52/86/30/1313528630.db2.gz CHHHTFHFNIKYKY-QGZVFWFLSA-N 1 0 329.444 2.824 20 10 EFCDRO CCc1ccc(C[NH+]2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c(O)c1 ZINC001236787180 1313528641 /nfs/dbraw/zinc/52/86/41/1313528641.db2.gz JQXLJALQZNQKAC-IAGOWNOFSA-N 1 0 343.496 2.975 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NCCC[NH+]2CCCCC2)cc1F ZINC000195201693 1298623510 /nfs/dbraw/zinc/62/35/10/1298623510.db2.gz LUWAZNXRUNZFKA-UHFFFAOYSA-N 1 0 336.455 2.567 20 10 EFCDRO CCc1ccc(C[NH+]2CCC3(CCC(=O)N3CCOC)CC2)c(O)c1 ZINC001236790809 1313529569 /nfs/dbraw/zinc/52/95/69/1313529569.db2.gz YBHWRLLZMVCIBE-UHFFFAOYSA-N 1 0 346.471 2.558 20 10 EFCDRO NC(=O)[C@H]1CCC[N@H+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236792464 1313529810 /nfs/dbraw/zinc/52/98/10/1313529810.db2.gz MRXUDYGOBCEEBT-INIZCTEOSA-N 1 0 340.423 2.669 20 10 EFCDRO CC[N@@H+]1CCO[C@@H]2CN(Cc3cc(Cl)c(Cl)cc3O)C[C@@H]2C1 ZINC001236791957 1313530377 /nfs/dbraw/zinc/53/03/77/1313530377.db2.gz CPXBTBGCAPXEPS-BLLLJJGKSA-N 1 0 345.270 2.852 20 10 EFCDRO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236793858 1313530805 /nfs/dbraw/zinc/53/08/05/1313530805.db2.gz QQLKTSPZBGTFSJ-CHWSQXEVSA-N 1 0 329.227 2.894 20 10 EFCDRO C[NH+](C)CCCN1CCN(Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001236800127 1313531684 /nfs/dbraw/zinc/53/16/84/1313531684.db2.gz UGDNJAISQWMASW-UHFFFAOYSA-N 1 0 346.302 2.768 20 10 EFCDRO COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c([O-])c1Cl ZINC001236805565 1313532072 /nfs/dbraw/zinc/53/20/72/1313532072.db2.gz IASGLCGDCHWTNU-UHFFFAOYSA-N 1 0 333.819 2.771 20 10 EFCDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1c(O)cc(OC)cc1Cl ZINC001236805978 1313533143 /nfs/dbraw/zinc/53/31/43/1313533143.db2.gz JXRNEHJLEOIMBS-HFBDOXOYSA-N 1 0 325.792 2.580 20 10 EFCDRO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1Cc1c(O)cc(OC)cc1Cl ZINC001236805973 1313533411 /nfs/dbraw/zinc/53/34/11/1313533411.db2.gz JXRNEHJLEOIMBS-FTGAXOIBSA-N 1 0 325.792 2.580 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@H](Oc3ncc(C)cn3)C2)c([O-])c1Cl ZINC001236809914 1313533773 /nfs/dbraw/zinc/53/37/73/1313533773.db2.gz OYFLDYFGWGFQAB-ZDUSSCGKSA-N 1 0 349.818 2.806 20 10 EFCDRO CCN1C(=O)CCC12CC[NH+](Cc1c(C)cc(OC)cc1O)CC2 ZINC001236808511 1313534088 /nfs/dbraw/zinc/53/40/88/1313534088.db2.gz LBJFNLGRFJNDAM-UHFFFAOYSA-N 1 0 332.444 2.686 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCC(N3CC(F)(F)C3)CC2)c(O)c1 ZINC001236810970 1313534796 /nfs/dbraw/zinc/53/47/96/1313534796.db2.gz MCGAPPAUIQGJBV-UHFFFAOYSA-N 1 0 326.387 2.625 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c(O)c1 ZINC001236812311 1313535107 /nfs/dbraw/zinc/53/51/07/1313535107.db2.gz YZNAAADMUOBDHN-RBUKOAKNSA-N 1 0 327.424 2.887 20 10 EFCDRO COc1cc(C)c(C[N@H+]2C[C@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001236817011 1313535856 /nfs/dbraw/zinc/53/58/56/1313535856.db2.gz AJCAVCQZCGVOQO-CJNGLKHVSA-N 1 0 348.443 2.760 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](Oc3cc(C)ncn3)C2)c(O)c1 ZINC001236816925 1313535911 /nfs/dbraw/zinc/53/59/11/1313535911.db2.gz YROHOXFGDGDSKI-HNNXBMFYSA-N 1 0 343.427 2.851 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c(O)c1 ZINC001236814041 1313536140 /nfs/dbraw/zinc/53/61/40/1313536140.db2.gz OICYKURZWCTDJQ-HNNXBMFYSA-N 1 0 332.444 2.544 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCCN(c3ccc(F)cn3)CC2)c(O)c1 ZINC001236819580 1313536352 /nfs/dbraw/zinc/53/63/52/1313536352.db2.gz XCMAKXPYRNWJBE-UHFFFAOYSA-N 1 0 345.418 2.956 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCCN(C(=O)CC(C)C)CC2)c(O)c1 ZINC001236820293 1313536666 /nfs/dbraw/zinc/53/66/66/1313536666.db2.gz KPDCCBVRBJCTTB-UHFFFAOYSA-N 1 0 334.460 2.790 20 10 EFCDRO Oc1cc2ccccc2cc1C[N@@H+]1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001236827204 1313537349 /nfs/dbraw/zinc/53/73/49/1313537349.db2.gz RATUHPGONMWJMN-MRXNPFEDSA-N 1 0 341.329 2.671 20 10 EFCDRO Oc1cc2ccccc2cc1CN1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001236835775 1313538614 /nfs/dbraw/zinc/53/86/14/1313538614.db2.gz SAJBFVDAOCJTDX-IBGZPJMESA-N 1 0 326.440 2.842 20 10 EFCDRO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236835491 1313538739 /nfs/dbraw/zinc/53/87/39/1313538739.db2.gz OBVFESOGSKHTKD-QGZVFWFLSA-N 1 0 327.428 2.781 20 10 EFCDRO CC[N@H+](C)Cc1cc2c(cc1O)OCCN(C(=O)OC(C)(C)C)C2 ZINC001236844222 1313541181 /nfs/dbraw/zinc/54/11/81/1313541181.db2.gz WZAIQTYFPNJZEF-UHFFFAOYSA-N 1 0 336.432 2.973 20 10 EFCDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2cc3ccccc3cc2O)CC1 ZINC001236842516 1313541282 /nfs/dbraw/zinc/54/12/82/1313541282.db2.gz WQEHDBBHEUKSOO-QGZVFWFLSA-N 1 0 341.407 2.890 20 10 EFCDRO C[NH+]1CCN(c2cccc(C[N@@H+]3CCc4cccc(O)c4C3)c2)CC1 ZINC001236893991 1313547503 /nfs/dbraw/zinc/54/75/03/1313547503.db2.gz PLJKEAFQUFEJLJ-UHFFFAOYSA-N 1 0 337.467 2.702 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3cccnc3)C2)cc1C ZINC000961484999 1298786846 /nfs/dbraw/zinc/78/68/46/1298786846.db2.gz DFMZUDJOELMACJ-UHFFFAOYSA-N 1 0 339.439 2.697 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001236919023 1313553349 /nfs/dbraw/zinc/55/33/49/1313553349.db2.gz KKUCGUUSKJNKIQ-SFHVURJKSA-N 1 0 336.863 2.932 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1C[NH+]1CC2(C1)CCOCC2 ZINC001236920295 1313553683 /nfs/dbraw/zinc/55/36/83/1313553683.db2.gz FBXDZRBCTLOBAT-UHFFFAOYSA-N 1 0 336.863 2.789 20 10 EFCDRO COCCCN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC001236948247 1313559485 /nfs/dbraw/zinc/55/94/85/1313559485.db2.gz RFZQLJGJPYMLFX-HXUWFJFHSA-N 1 0 331.504 2.877 20 10 EFCDRO OC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236925996 1313554629 /nfs/dbraw/zinc/55/46/29/1313554629.db2.gz ZYBDVEJNLUJZTK-HNNXBMFYSA-N 1 0 338.879 2.771 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3cc(C)on3)C2)cc1C ZINC000961522993 1298831555 /nfs/dbraw/zinc/83/15/55/1298831555.db2.gz HENNJTAGVZPIHS-UHFFFAOYSA-N 1 0 343.427 2.598 20 10 EFCDRO CCN(CC[NH+](C)C)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236926101 1313554688 /nfs/dbraw/zinc/55/46/88/1313554688.db2.gz ATILOGSBWBPBQY-UHFFFAOYSA-N 1 0 325.884 2.560 20 10 EFCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC[C@@H]1O ZINC001236926288 1313554713 /nfs/dbraw/zinc/55/47/13/1313554713.db2.gz FBHCWWARZUAKPI-KSSFIOAISA-N 1 0 338.879 2.769 20 10 EFCDRO CC(C)[N@H+](CCCO)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236928035 1313554777 /nfs/dbraw/zinc/55/47/77/1313554777.db2.gz UIIBPGBHUPTRHR-UHFFFAOYSA-N 1 0 326.868 2.769 20 10 EFCDRO C[N@@H+]1C[C@H]2CCCN(Cc3ccc(N4CCOCC4)cc3Cl)[C@@H]2C1 ZINC001236928606 1313555375 /nfs/dbraw/zinc/55/53/75/1313555375.db2.gz XYGLXJRDZMILDC-VQIMIIECSA-N 1 0 349.906 2.703 20 10 EFCDRO CC[NH+]1C[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3Cl)C[C@H]2C1 ZINC001236930785 1313555823 /nfs/dbraw/zinc/55/58/23/1313555823.db2.gz NZTPLGLFNOGXAQ-IAGOWNOFSA-N 1 0 349.906 2.560 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN3CCc4cnccc4C3)c(F)c2)CC1 ZINC001236931884 1313555920 /nfs/dbraw/zinc/55/59/20/1313555920.db2.gz MPHXYVQMNBGICV-UHFFFAOYSA-N 1 0 340.446 2.531 20 10 EFCDRO CN(Cc1ccncn1)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236932129 1313556226 /nfs/dbraw/zinc/55/62/26/1313556226.db2.gz VGUOOXKOZGDLSB-UHFFFAOYSA-N 1 0 332.835 2.599 20 10 EFCDRO CN(Cc1ccc(N2CC[NH+](C)CC2)cc1F)C1CC(F)(F)C1 ZINC001236931269 1313556248 /nfs/dbraw/zinc/55/62/48/1313556248.db2.gz IJPXTBYSYRZHOT-UHFFFAOYSA-N 1 0 327.394 2.807 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN3CCCC(F)(F)C3)c(F)c2)CC1 ZINC001236932548 1313556532 /nfs/dbraw/zinc/55/65/32/1313556532.db2.gz RQAQONLPVACYCV-UHFFFAOYSA-N 1 0 327.394 2.809 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN3CCC(F)(F)CC3)c(F)c2)CC1 ZINC001236933448 1313556592 /nfs/dbraw/zinc/55/65/92/1313556592.db2.gz XTEJFRIRXGPLFK-UHFFFAOYSA-N 1 0 327.394 2.809 20 10 EFCDRO CN(Cc1cncs1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236944072 1313558401 /nfs/dbraw/zinc/55/84/01/1313558401.db2.gz ZDVZJMGOPGKJBE-UHFFFAOYSA-N 1 0 334.464 2.666 20 10 EFCDRO Cc1nc2c(s1)CN(Cc1ccc(N3CC[NH+](C)CC3)cc1F)C2 ZINC001236946203 1313558763 /nfs/dbraw/zinc/55/87/63/1313558763.db2.gz MFTRFBTXOMJWMY-UHFFFAOYSA-N 1 0 346.475 2.858 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3cccn3C)C2)cc1C ZINC000961566237 1298889296 /nfs/dbraw/zinc/88/92/96/1298889296.db2.gz QJDTYEOGBFTOFR-UHFFFAOYSA-N 1 0 341.455 2.640 20 10 EFCDRO COC[C@H]1Cn2ccnc2C[N@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237050496 1313576201 /nfs/dbraw/zinc/57/62/01/1313576201.db2.gz FNQBAERICADIIA-OAHLLOKOSA-N 1 0 329.444 2.991 20 10 EFCDRO COc1cc(O)c(CN2Cc3ccccc3C[C@H]2C[NH3+])c(Cl)c1 ZINC001237029149 1313572615 /nfs/dbraw/zinc/57/26/15/1313572615.db2.gz WICIOSCNNBEICN-AWEZNQCLSA-N 1 0 332.831 2.940 20 10 EFCDRO COc1cc(N(C)C)ccc1CN1Cc2ccccc2C[C@H]1C[NH3+] ZINC001237029473 1313572629 /nfs/dbraw/zinc/57/26/29/1313572629.db2.gz ZKRBIMBAGHQOLF-IBGZPJMESA-N 1 0 325.456 2.647 20 10 EFCDRO CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC001237039697 1313573151 /nfs/dbraw/zinc/57/31/51/1313573151.db2.gz AJEHQOOUZSXIJM-HNNXBMFYSA-N 1 0 345.443 2.656 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)c(O)c1 ZINC001237039624 1313573181 /nfs/dbraw/zinc/57/31/81/1313573181.db2.gz AWOZEBBMLBZROY-ROUUACIJSA-N 1 0 344.455 2.766 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCc3ncnc(CC)c3CC2)c(O)c1 ZINC001237040958 1313573259 /nfs/dbraw/zinc/57/32/59/1313573259.db2.gz NBYRBKMLAPJUJR-UHFFFAOYSA-N 1 0 327.428 2.744 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)c(O)c1 ZINC001237040319 1313573361 /nfs/dbraw/zinc/57/33/61/1313573361.db2.gz GQNXALMDDDFEGF-QAPCUYQASA-N 1 0 346.471 2.870 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2ccc(OCC)cc2O)Cc2cnn(C)c21 ZINC001237040361 1313573749 /nfs/dbraw/zinc/57/37/49/1313573749.db2.gz HLPCWCQIOWUDAN-MRXNPFEDSA-N 1 0 345.443 2.660 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2ccc(OCC)cc2O)Cc2cn(C)nc21 ZINC001237043036 1313574224 /nfs/dbraw/zinc/57/42/24/1313574224.db2.gz MWLRKUVGGAEWMD-MRXNPFEDSA-N 1 0 345.443 2.660 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)c(O)c1 ZINC001237046460 1313574757 /nfs/dbraw/zinc/57/47/57/1313574757.db2.gz CHORLYDJTHRSII-MRXNPFEDSA-N 1 0 347.459 2.561 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N(CC)CC)C2)c(O)c1 ZINC001237046159 1313574955 /nfs/dbraw/zinc/57/49/55/1313574955.db2.gz YIAOAAQFMKMXJU-MRXNPFEDSA-N 1 0 334.460 2.871 20 10 EFCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CCn2ccnc2)c(O)c1 ZINC001276365533 1299011915 /nfs/dbraw/zinc/01/19/15/1299011915.db2.gz PSHCBGVSELVZKN-OALUTQOASA-N 1 0 340.471 2.554 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2[C@@H](C)CC[C@H]2CO)c(Br)c1 ZINC001237064751 1313579904 /nfs/dbraw/zinc/57/99/04/1313579904.db2.gz IGNSADHCEMKXDG-UWVGGRQHSA-N 1 0 330.222 2.509 20 10 EFCDRO Cc1cc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CCn2ccnc2)c(O)c1 ZINC001276365613 1299022595 /nfs/dbraw/zinc/02/25/95/1299022595.db2.gz SOUJXHHLWCDNSG-HDICACEKSA-N 1 0 340.471 2.554 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](CO)CC[C@@H]2C)c(Br)c1 ZINC001237066454 1313580954 /nfs/dbraw/zinc/58/09/54/1313580954.db2.gz VXGIEHNJQDWTEB-QWRGUYRKSA-N 1 0 344.249 2.756 20 10 EFCDRO CC[N@H+](Cc1c(O)cc(OC)cc1Br)CC(C)(C)O ZINC001237071726 1313581749 /nfs/dbraw/zinc/58/17/49/1313581749.db2.gz WUPDZXNOTKSGJO-UHFFFAOYSA-N 1 0 332.238 2.756 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)c(Br)c1 ZINC001237072803 1313581975 /nfs/dbraw/zinc/58/19/75/1313581975.db2.gz KEMNNVOJCMFXNC-VHSXEESVSA-N 1 0 330.222 2.509 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c(Br)c1 ZINC001237071703 1313582098 /nfs/dbraw/zinc/58/20/98/1313582098.db2.gz WQEURQZKAAMHSN-XDMRBOTDSA-N 1 0 342.233 2.630 20 10 EFCDRO CC(C)(O)C[NH+]1CCN(Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237087510 1313583956 /nfs/dbraw/zinc/58/39/56/1313583956.db2.gz YADXYWZPVDJNRM-UHFFFAOYSA-N 1 0 333.259 2.588 20 10 EFCDRO Oc1ccc(Cl)c(Cl)c1CN1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001237083814 1313584278 /nfs/dbraw/zinc/58/42/78/1313584278.db2.gz CNMRYNQLVQDDJR-LBPRGKRZSA-N 1 0 345.270 2.996 20 10 EFCDRO COc1cnc(N2CC[NH+](Cc3ccc(C(C)C)cc3O)CC2)nc1 ZINC001237052096 1313576792 /nfs/dbraw/zinc/57/67/92/1313576792.db2.gz TXJOLYXUPDUELI-UHFFFAOYSA-N 1 0 342.443 2.636 20 10 EFCDRO Cn1cc(C[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2O)cn1 ZINC001237051298 1313576873 /nfs/dbraw/zinc/57/68/73/1313576873.db2.gz JVAJMRZLVFJUKA-UHFFFAOYSA-N 1 0 329.322 2.699 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@H+]1CCc2nccn2CC1 ZINC001237057316 1313577800 /nfs/dbraw/zinc/57/78/00/1313577800.db2.gz BAWPMRFGZZSXMQ-UHFFFAOYSA-N 1 0 341.333 2.588 20 10 EFCDRO OC[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237053789 1313578022 /nfs/dbraw/zinc/57/80/22/1313578022.db2.gz QMTUADAZYMXLQJ-LBPRGKRZSA-N 1 0 333.350 2.928 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(C)(O)CC2)c(Br)c1 ZINC001237058901 1313578890 /nfs/dbraw/zinc/57/88/90/1313578890.db2.gz CKMWFKHRSZWOOR-UHFFFAOYSA-N 1 0 330.222 2.510 20 10 EFCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C[C@@H]1C ZINC001237062657 1313579185 /nfs/dbraw/zinc/57/91/85/1313579185.db2.gz NPDPGQGTBOXJHV-GWCFXTLKSA-N 1 0 347.333 2.574 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001237110482 1313587677 /nfs/dbraw/zinc/58/76/77/1313587677.db2.gz DYTAZOOZZRSHCS-GFCCVEGCSA-N 1 0 330.350 2.961 20 10 EFCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3c(O)cccc3OC(F)(F)F)C[C@H]21 ZINC001237114872 1313588489 /nfs/dbraw/zinc/58/84/89/1313588489.db2.gz NZGLOEYXVRPYOD-DGCLKSJQSA-N 1 0 330.350 2.817 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1C[NH+]1CCC2(CC1)OCCO2 ZINC001237116616 1313588678 /nfs/dbraw/zinc/58/86/78/1313588678.db2.gz KWKGQMIICNBOCL-UHFFFAOYSA-N 1 0 333.306 2.630 20 10 EFCDRO OC[C@]1(F)CCC[N@H+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237116549 1313589070 /nfs/dbraw/zinc/58/90/70/1313589070.db2.gz KARLHACJQJOJSM-AWEZNQCLSA-N 1 0 337.313 2.977 20 10 EFCDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237122175 1313590347 /nfs/dbraw/zinc/59/03/47/1313590347.db2.gz FEQAZELAVNAARQ-WDEREUQCSA-N 1 0 347.333 2.922 20 10 EFCDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237122582 1313590544 /nfs/dbraw/zinc/59/05/44/1313590544.db2.gz WHHWTVFTKKGBBC-NWDGAFQWSA-N 1 0 348.805 2.966 20 10 EFCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001237120361 1313590789 /nfs/dbraw/zinc/59/07/89/1313590789.db2.gz COYPDWIMEDUVGC-QGZVFWFLSA-N 1 0 348.809 2.830 20 10 EFCDRO CN1CCC2(CC[NH+](Cc3cc(C(F)(F)F)ccc3O)CC2)C1=O ZINC001237143186 1313592505 /nfs/dbraw/zinc/59/25/05/1313592505.db2.gz KHDLTCOPIFPEJH-UHFFFAOYSA-N 1 0 342.361 2.855 20 10 EFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H]1CCCC[C@H]1O ZINC000305853079 1299207530 /nfs/dbraw/zinc/20/75/30/1299207530.db2.gz VOVBBWRJYPFLJX-QFBILLFUSA-N 1 0 336.451 2.645 20 10 EFCDRO C[C@H]1CCCC[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237201904 1313604246 /nfs/dbraw/zinc/60/42/46/1313604246.db2.gz COWAFPSBZXTANS-INIZCTEOSA-N 1 0 336.501 2.543 20 10 EFCDRO FC(F)(F)Oc1ccc(N2CCN(C[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001237206115 1313605884 /nfs/dbraw/zinc/60/58/84/1313605884.db2.gz QXJQXNRQGURRQF-CQSZACIVSA-N 1 0 343.393 2.849 20 10 EFCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H]1C ZINC001237208052 1313605957 /nfs/dbraw/zinc/60/59/57/1313605957.db2.gz XWIMQVSMDYQOKL-CVEARBPZSA-N 1 0 336.501 2.542 20 10 EFCDRO CC[C@@H]1CCC[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237209309 1313606275 /nfs/dbraw/zinc/60/62/75/1313606275.db2.gz HZTMULAUQHKKQZ-MRXNPFEDSA-N 1 0 336.501 2.543 20 10 EFCDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237213988 1313607304 /nfs/dbraw/zinc/60/73/04/1313607304.db2.gz ZGZAJNPFVBIIMV-KRWDZBQOSA-N 1 0 336.501 2.686 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]C2(CO)CCCCC2)c1O ZINC000776498268 1299317136 /nfs/dbraw/zinc/31/71/36/1299317136.db2.gz RJIFXANQKPUIRX-UHFFFAOYSA-N 1 0 344.249 2.948 20 10 EFCDRO C[NH2+]CCN1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001237256902 1313613366 /nfs/dbraw/zinc/61/33/66/1313613366.db2.gz CGNGLXOBVNINNQ-UHFFFAOYSA-N 1 0 336.439 2.836 20 10 EFCDRO COc1ccc(N2CCN(CC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cc1F ZINC000851808030 1299410021 /nfs/dbraw/zinc/41/00/21/1299410021.db2.gz JSEMXEPVXLHAMM-IRXDYDNUSA-N 1 0 349.494 2.934 20 10 EFCDRO COc1cc(N2CC[NH+](CC3CC=CC3)CC2)cc(OC)c1OC ZINC000851936140 1299474919 /nfs/dbraw/zinc/47/49/19/1299474919.db2.gz JTFXEAVRWXMCNA-UHFFFAOYSA-N 1 0 332.444 2.801 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@H]3CC[C@@H](C)O3)C2)cc1C ZINC000962336373 1299590550 /nfs/dbraw/zinc/59/05/50/1299590550.db2.gz RNHLNEGYPUXZNF-FOSZKXBFSA-N 1 0 346.471 2.556 20 10 EFCDRO Oc1ccc(Br)cc1CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237383892 1313633224 /nfs/dbraw/zinc/63/32/24/1313633224.db2.gz SFICNZOMYUGDNK-BXUZGUMPSA-N 1 0 325.250 2.729 20 10 EFCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](CO)Cc2ccccc2)c1O ZINC000852288639 1299632561 /nfs/dbraw/zinc/63/25/61/1299632561.db2.gz CDABAEWGEHSJQP-KRWDZBQOSA-N 1 0 331.387 2.769 20 10 EFCDRO Oc1cccc(Br)c1CN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237394864 1313635855 /nfs/dbraw/zinc/63/58/55/1313635855.db2.gz WPKLPUMZYRUORA-FZMZJTMJSA-N 1 0 325.250 2.729 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCc3cc(F)ccc32)cc1 ZINC000852790790 1299888442 /nfs/dbraw/zinc/88/84/42/1299888442.db2.gz BMPNNEZEMFGARD-OALUTQOASA-N 1 0 341.430 2.738 20 10 EFCDRO CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000852789390 1299888653 /nfs/dbraw/zinc/88/86/53/1299888653.db2.gz DESAMDHYKYMQOQ-KRWDZBQOSA-N 1 0 349.544 2.867 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC[C@@H]2CC2(Cl)Cl)cc1 ZINC000852791216 1299888798 /nfs/dbraw/zinc/88/87/98/1299888798.db2.gz DSALLECWUNDZGR-OCCSQVGLSA-N 1 0 344.286 2.843 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCc2cccnc2Cl)cc1 ZINC000852792447 1299889578 /nfs/dbraw/zinc/88/95/78/1299889578.db2.gz WKRSXTIQWXKABI-INIZCTEOSA-N 1 0 346.862 2.550 20 10 EFCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001237481150 1313654042 /nfs/dbraw/zinc/65/40/42/1313654042.db2.gz COTUQOFHCYWAEM-MKZZRHPPSA-N 1 0 332.444 2.903 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001237487113 1313655364 /nfs/dbraw/zinc/65/53/64/1313655364.db2.gz WUINPXOZSRXUPD-NLWGTHIKSA-N 1 0 340.423 2.512 20 10 EFCDRO Cc1cccc(O)c1C[NH+]1CCC2(CC(=O)N(CC3CC3)C2)CC1 ZINC001237494841 1313655732 /nfs/dbraw/zinc/65/57/32/1313655732.db2.gz LTASGLJCOWFVMG-UHFFFAOYSA-N 1 0 328.456 2.925 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](Oc2ccc(C(N)=O)cc2)C1 ZINC001237494934 1313655858 /nfs/dbraw/zinc/65/58/58/1313655858.db2.gz NCFARMVBLVYYCI-QGZVFWFLSA-N 1 0 340.423 2.843 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)[C@H]3[NH2+]CCC3(C)C)cc2)CC1 ZINC000852867361 1299920331 /nfs/dbraw/zinc/92/03/31/1299920331.db2.gz UWNQSDWECYBZNC-GOSISDBHSA-N 1 0 329.488 2.927 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@]3(C)CC[NH2+]C3)c2C)cc1 ZINC000852926962 1299941525 /nfs/dbraw/zinc/94/15/25/1299941525.db2.gz CJLIBNUVPNDXHO-IBGZPJMESA-N 1 0 327.428 2.585 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](N4CCOC4=O)C3)c2c1 ZINC000853539491 1300155722 /nfs/dbraw/zinc/15/57/22/1300155722.db2.gz BDPXXMASVRDOGE-AWEZNQCLSA-N 1 0 342.395 2.581 20 10 EFCDRO COc1cc(C[NH+]2CCN([C@@H]3CCOC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000853551056 1300162096 /nfs/dbraw/zinc/16/20/96/1300162096.db2.gz RCHPEBNNJACKLV-MRXNPFEDSA-N 1 0 348.487 2.605 20 10 EFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000111510403 1300231818 /nfs/dbraw/zinc/23/18/18/1300231818.db2.gz VFJRFIGHRGIMOK-GOSISDBHSA-N 1 0 332.492 2.768 20 10 EFCDRO C[NH+](C)C[C@H]1CN(Cc2cc(-c3ccc(F)cc3)ccc2O)CCO1 ZINC001237641642 1313682843 /nfs/dbraw/zinc/68/28/43/1313682843.db2.gz UVIJKMCEUGRDQD-IBGZPJMESA-N 1 0 344.430 2.961 20 10 EFCDRO C[NH+](C)C[C@@H]1COCCN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237645249 1313683346 /nfs/dbraw/zinc/68/33/46/1313683346.db2.gz IAVIDSYWIVNSMW-LJQANCHMSA-N 1 0 344.430 2.961 20 10 EFCDRO COc1cccc(O)c1C[NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000776700189 1300348322 /nfs/dbraw/zinc/34/83/22/1300348322.db2.gz JBDYLAGYMFDAIA-NSHDSACASA-N 1 0 348.349 2.574 20 10 EFCDRO COc1cc(C[N@@H+]2CCCN(c3cccnc3)CC2)c(O)c(OC)c1 ZINC001237682596 1313690792 /nfs/dbraw/zinc/69/07/92/1313690792.db2.gz BVMMITVZEOLJLD-UHFFFAOYSA-N 1 0 343.427 2.517 20 10 EFCDRO CC[N@H+](CCC(=O)OC)Cc1cc(Br)c(C)cc1O ZINC001237683876 1313690933 /nfs/dbraw/zinc/69/09/33/1313690933.db2.gz DTKQPYVCBSGXFW-UHFFFAOYSA-N 1 0 330.222 2.848 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H](Oc3ccncc3C)C2)c(O)c(OC)c1 ZINC001237683827 1313691219 /nfs/dbraw/zinc/69/12/19/1313691219.db2.gz KWMUYWWQTWGGIM-HNNXBMFYSA-N 1 0 344.411 2.766 20 10 EFCDRO COc1cc(CN2CCC(C)([NH+]3CCCC3)CC2)c(O)c(OC)c1 ZINC001237685896 1313691336 /nfs/dbraw/zinc/69/13/36/1313691336.db2.gz VNJXJRMMCRMMTD-UHFFFAOYSA-N 1 0 334.460 2.860 20 10 EFCDRO COC(=O)CC[N@H+](Cc1cc(Br)c(C)cc1O)C1CC1 ZINC001237684127 1313691779 /nfs/dbraw/zinc/69/17/79/1313691779.db2.gz HAEAJGGQWCGVDG-UHFFFAOYSA-N 1 0 342.233 2.991 20 10 EFCDRO CC[N@@H+]1CCN(Cc2cc(Br)c(C)cc2O)[C@H](C)C1 ZINC001237684425 1313692011 /nfs/dbraw/zinc/69/20/11/1313692011.db2.gz KJCROGDLMPVMRS-GFCCVEGCSA-N 1 0 327.266 2.989 20 10 EFCDRO COc1cc(C[N@@H+]2CCc3cc4c(cc3C2)OCO4)c(O)c(OC)c1 ZINC001237670216 1313688553 /nfs/dbraw/zinc/68/85/53/1313688553.db2.gz QUHMVECSRCLUQX-UHFFFAOYSA-N 1 0 343.379 2.696 20 10 EFCDRO COc1cc(C[N@@H+]2CCCN(c3ccccn3)CC2)c(O)c(OC)c1 ZINC001237671383 1313689212 /nfs/dbraw/zinc/68/92/12/1313689212.db2.gz BJEKFZFBOWJULW-UHFFFAOYSA-N 1 0 343.427 2.517 20 10 EFCDRO COc1cc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)c(O)c(OC)c1 ZINC001237674929 1313689253 /nfs/dbraw/zinc/68/92/53/1313689253.db2.gz NLMHUGWMQDCXTA-SFHVURJKSA-N 1 0 342.439 2.898 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC001237676204 1313689262 /nfs/dbraw/zinc/68/92/62/1313689262.db2.gz KUOKJPYMKUVQHH-LBPRGKRZSA-N 1 0 337.416 2.573 20 10 EFCDRO COc1cc(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c(O)c(OC)c1 ZINC001237676122 1313689344 /nfs/dbraw/zinc/68/93/44/1313689344.db2.gz FXZBILQDBUYWEJ-INIZCTEOSA-N 1 0 329.396 2.845 20 10 EFCDRO CCS[C@@H]1CCCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000112088449 1300502099 /nfs/dbraw/zinc/50/20/99/1300502099.db2.gz VCPWHYVGKJAAFY-GOSISDBHSA-N 1 0 349.544 2.976 20 10 EFCDRO Cc1cccc(C)c1S(=O)(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001237745514 1313700060 /nfs/dbraw/zinc/70/00/60/1313700060.db2.gz JWHHEYQZEWTOEV-UHFFFAOYSA-N 1 0 345.468 2.514 20 10 EFCDRO Cc1nc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)ccc1F ZINC001237818902 1313713157 /nfs/dbraw/zinc/71/31/57/1313713157.db2.gz XFDUOLYELOJBRS-UHFFFAOYSA-N 1 0 329.419 2.998 20 10 EFCDRO C[N@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245727425 1300752683 /nfs/dbraw/zinc/75/26/83/1300752683.db2.gz JAEJSAGNBCQAFD-UKRRQHHQSA-N 1 0 331.865 2.833 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@H](C)[NH+](C)C)c2C)cc1 ZINC000855009693 1300762507 /nfs/dbraw/zinc/76/25/07/1300762507.db2.gz LNPPBZVUOIUYMR-AWEZNQCLSA-N 1 0 329.444 2.783 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000245824068 1300785474 /nfs/dbraw/zinc/78/54/74/1300785474.db2.gz NPKNVHLPCXBFPQ-ZNMIVQPWSA-N 1 0 349.475 2.881 20 10 EFCDRO CCO[C@@H](CC)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207574376 1313721513 /nfs/dbraw/zinc/72/15/13/1313721513.db2.gz CJNJWMBFEDREQI-MSOLQXFVSA-N 1 0 348.487 2.899 20 10 EFCDRO CCO[C@@H](CC)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207574378 1313721573 /nfs/dbraw/zinc/72/15/73/1313721573.db2.gz CJNJWMBFEDREQI-ROUUACIJSA-N 1 0 348.487 2.899 20 10 EFCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000776806861 1300913842 /nfs/dbraw/zinc/91/38/42/1300913842.db2.gz GGSLGMXMIUAKPN-YOEHRIQHSA-N 1 0 332.444 2.968 20 10 EFCDRO CCOC(=O)COc1cccc(C[N@H+](C)Cc2ccccc2O)c1 ZINC001237918002 1313730770 /nfs/dbraw/zinc/73/07/70/1313730770.db2.gz DVSGMHJDEDOBOX-UHFFFAOYSA-N 1 0 329.396 2.966 20 10 EFCDRO Cc1cccc(OC[C@H](O)C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000113327745 1300958276 /nfs/dbraw/zinc/95/82/76/1300958276.db2.gz UHNCHPKQOZBQON-MRXNPFEDSA-N 1 0 332.419 2.730 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@H]([C@H]4CCCO4)C3)c2c1 ZINC000246214066 1300959437 /nfs/dbraw/zinc/95/94/37/1300959437.db2.gz KQWNCARJHMPOEV-UXHICEINSA-N 1 0 343.423 2.934 20 10 EFCDRO O=C(CC[NH2+]Cc1ccc(N2CCOCC2)cc1)Nc1ccccc1 ZINC000113346416 1300961296 /nfs/dbraw/zinc/96/12/96/1300961296.db2.gz ZQQIAJHOZBTQEI-UHFFFAOYSA-N 1 0 339.439 2.642 20 10 EFCDRO CN1CCC2(CC[NH+](Cc3cc(F)c(Cl)cc3[O-])CC2)C1=O ZINC001237939240 1313733654 /nfs/dbraw/zinc/73/36/54/1313733654.db2.gz AEVVBSYCBZKWSF-UHFFFAOYSA-N 1 0 326.799 2.629 20 10 EFCDRO CC(C)C(=O)NC1CC[NH+](Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237938095 1313734152 /nfs/dbraw/zinc/73/41/52/1313734152.db2.gz XROWMDKARPSYSG-UHFFFAOYSA-N 1 0 328.815 2.921 20 10 EFCDRO CC[C@H]([NH2+][C@H]1CCOC[C@H]1OCCOC)c1ccc(N(C)C)cc1 ZINC000776866712 1301204300 /nfs/dbraw/zinc/20/43/00/1301204300.db2.gz HWHKERPHSJXQNO-GBESFXJTSA-N 1 0 336.476 2.614 20 10 EFCDRO Cc1ncsc1/C=C\C(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000776866703 1301205002 /nfs/dbraw/zinc/20/50/02/1301205002.db2.gz HUIOJHSLPPBFGM-QIAWRQBBSA-N 1 0 343.452 2.821 20 10 EFCDRO CC[C@H]([NH2+][C@H]1CCOC[C@H]1OCCOC)c1cc(Cl)ccc1O ZINC000776869732 1301209138 /nfs/dbraw/zinc/20/91/38/1301209138.db2.gz PRASPYVFAMOLBI-YQQAZPJKSA-N 1 0 343.851 2.907 20 10 EFCDRO Cc1cc(F)cc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)c1O ZINC001238062234 1313753251 /nfs/dbraw/zinc/75/32/51/1313753251.db2.gz VKEQJHOQTQHLNU-FQEVSTJZSA-N 1 0 340.398 2.960 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)c1O ZINC001238063012 1313754047 /nfs/dbraw/zinc/75/40/47/1313754047.db2.gz ZDDIKSQDNPEIDV-RHSMWYFYSA-N 1 0 334.435 2.919 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccn3)C2)c1O ZINC001238069406 1313755086 /nfs/dbraw/zinc/75/50/86/1313755086.db2.gz ZGFYMIXLLBSSNZ-MRXNPFEDSA-N 1 0 343.402 2.629 20 10 EFCDRO Cc1cc(F)cc(C[NH+]2CCC(NC(=O)c3ccccn3)CC2)c1O ZINC001238067894 1313755175 /nfs/dbraw/zinc/75/51/75/1313755175.db2.gz RKVOQVMWQWCLFI-UHFFFAOYSA-N 1 0 343.402 2.629 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc2cncn21 ZINC001238113994 1313763579 /nfs/dbraw/zinc/76/35/79/1313763579.db2.gz PFMZJNBNLMOXNE-UHFFFAOYSA-N 1 0 336.439 2.803 20 10 EFCDRO O=S(=O)(NC[C@H]1CC[NH2+]C1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238123782 1313766627 /nfs/dbraw/zinc/76/66/27/1313766627.db2.gz DNVFEKYFMSPRND-PXKHIBQASA-N 1 0 344.440 2.990 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000246533731 1301630217 /nfs/dbraw/zinc/63/02/17/1301630217.db2.gz WTBKJKWRLMQMRY-HUUCEWRRSA-N 1 0 349.475 2.881 20 10 EFCDRO FC(F)(F)Oc1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC001207895770 1313797315 /nfs/dbraw/zinc/79/73/15/1313797315.db2.gz DKFHZPDTHPRBGB-OAHLLOKOSA-N 1 0 330.350 2.886 20 10 EFCDRO O=S(=O)(N[C@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238314416 1313797785 /nfs/dbraw/zinc/79/77/85/1313797785.db2.gz YWSDAMDAHKWERO-NCWLQVHYSA-N 1 0 342.424 2.598 20 10 EFCDRO [NH3+][C@H]1C[C@H](NS(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)C1 ZINC001238400383 1313812447 /nfs/dbraw/zinc/81/24/47/1313812447.db2.gz VTTUCACUMAUYGK-QITQMTOESA-N 1 0 330.413 2.870 20 10 EFCDRO COc1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cnc1F ZINC001238453505 1313822831 /nfs/dbraw/zinc/82/28/31/1313822831.db2.gz LABULNSEVKRCRU-UHFFFAOYSA-N 1 0 345.418 2.698 20 10 EFCDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1c(O)cccc1Br ZINC000862369488 1302350803 /nfs/dbraw/zinc/35/08/03/1302350803.db2.gz USYXRJHYFZTKFK-RISCZKNCSA-N 1 0 327.266 2.927 20 10 EFCDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1c(O)cccc1Br ZINC000862369487 1302350874 /nfs/dbraw/zinc/35/08/74/1302350874.db2.gz USYXRJHYFZTKFK-FZMZJTMJSA-N 1 0 327.266 2.927 20 10 EFCDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862368682 1302352137 /nfs/dbraw/zinc/35/21/37/1302352137.db2.gz LFWZYUCUFOVCDP-LLVKDONJSA-N 1 0 336.233 2.878 20 10 EFCDRO Oc1cccc(Br)c1C[NH+]1CCC2(CC1)OCCCO2 ZINC000862377237 1302356312 /nfs/dbraw/zinc/35/63/12/1302356312.db2.gz FDTDLMIUYITTIU-UHFFFAOYSA-N 1 0 342.233 2.884 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@H]1C1CC1 ZINC000862403397 1302369280 /nfs/dbraw/zinc/36/92/80/1302369280.db2.gz ZSWSZXADEOQHLL-UONOGXRCSA-N 1 0 338.398 2.662 20 10 EFCDRO C[C@H](CO)C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862402888 1302369704 /nfs/dbraw/zinc/36/97/04/1302369704.db2.gz MKURPNBSRYAKDD-LLVKDONJSA-N 1 0 328.250 2.995 20 10 EFCDRO Cc1noc(NC(=O)[C@@H]2CC23C[NH+](Cc2cc(F)ccc2O)C3)c1C ZINC001278248825 1313838295 /nfs/dbraw/zinc/83/82/95/1313838295.db2.gz QRHYXYJQNVHFAF-AWEZNQCLSA-N 1 0 345.374 2.597 20 10 EFCDRO CCc1cccc(CNc2ccc(C(=O)NCC[NH+](C)C)cc2)c1O ZINC000862471401 1302392095 /nfs/dbraw/zinc/39/20/95/1302392095.db2.gz CSMPNMFQZDCKGL-UHFFFAOYSA-N 1 0 341.455 2.858 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCN2CC(F)F)c1O ZINC000862468804 1302392160 /nfs/dbraw/zinc/39/21/60/1302392160.db2.gz OXGCPHXOHMMXCF-LBPRGKRZSA-N 1 0 334.794 2.873 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(O)cccc2OC)Cc2ccccc21 ZINC000862535906 1302407930 /nfs/dbraw/zinc/40/79/30/1302407930.db2.gz BKTAGCMEBSSBAG-OAHLLOKOSA-N 1 0 327.380 2.673 20 10 EFCDRO COC(=O)[C@H]1C[N@H+](Cc2c(O)cccc2OC)Cc2ccccc21 ZINC000862535905 1302408587 /nfs/dbraw/zinc/40/85/87/1302408587.db2.gz BKTAGCMEBSSBAG-HNNXBMFYSA-N 1 0 327.380 2.673 20 10 EFCDRO Cc1cc(CNC(=S)NCC[NH+](C)C)c(C)n1-c1ccccc1 ZINC000863233025 1302562888 /nfs/dbraw/zinc/56/28/88/1302562888.db2.gz ITSSJTSJSYKSHE-UHFFFAOYSA-N 1 0 330.501 2.620 20 10 EFCDRO COc1cccc2c1CN(CN(C)Cc1ccc(N(C)C)cc1)C2=O ZINC000863254525 1302568949 /nfs/dbraw/zinc/56/89/49/1302568949.db2.gz IPORHLUKCHWPIO-UHFFFAOYSA-N 1 0 339.439 2.807 20 10 EFCDRO C[C@H](C[NH3+])CNS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238709000 1313856626 /nfs/dbraw/zinc/85/66/26/1313856626.db2.gz XKDGGEUMSNNRRR-ZIPFOMIPSA-N 1 0 332.429 2.975 20 10 EFCDRO O[C@H](CNc1ccccc1OC[C@H]1CCCCO1)C[NH+]1CCCC1 ZINC000863556845 1302648615 /nfs/dbraw/zinc/64/86/15/1302648615.db2.gz YAYJZWAFFUOHNP-IAGOWNOFSA-N 1 0 334.460 2.503 20 10 EFCDRO CN(C)c1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000863646508 1302667577 /nfs/dbraw/zinc/66/75/77/1302667577.db2.gz LHNWDDRMQQAQCA-CHWSQXEVSA-N 1 0 333.373 2.851 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CCCCC1(C)C)cc2=O ZINC000119830579 1302766069 /nfs/dbraw/zinc/76/60/69/1302766069.db2.gz WZZKZHHMJZVOCS-CQSZACIVSA-N 1 0 346.431 2.670 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H](C)O[C@@]4(CCOC4)C3)c2c1 ZINC000794707374 1303017052 /nfs/dbraw/zinc/01/70/52/1303017052.db2.gz RNTVDFLFBVPERI-VLIAUNLRSA-N 1 0 343.423 2.934 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccoc3C)C2)cc1C ZINC001018477332 1313894843 /nfs/dbraw/zinc/89/48/43/1313894843.db2.gz FQBNDSFJWHRUBD-INIZCTEOSA-N 1 0 328.412 2.909 20 10 EFCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc(C)cc1O ZINC000794812552 1303171749 /nfs/dbraw/zinc/17/17/49/1303171749.db2.gz MJDVRERKXRWDJL-XOKHGSTOSA-N 1 0 342.443 2.669 20 10 EFCDRO COc1cccc(C[NH2+]Cc2ccnc(N3CCSCC3)c2)c1O ZINC000865720480 1303377377 /nfs/dbraw/zinc/37/73/77/1303377377.db2.gz AXFYVARIEPBTML-UHFFFAOYSA-N 1 0 345.468 2.639 20 10 EFCDRO CCc1cccc(NC(=O)NCc2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC001239223203 1313915820 /nfs/dbraw/zinc/91/58/20/1313915820.db2.gz LVTOCQBZHVCPRB-UHFFFAOYSA-N 1 0 338.455 2.980 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@@]2(CCCOC2)O1 ZINC000794886861 1303477630 /nfs/dbraw/zinc/47/76/30/1303477630.db2.gz BHKKBXDEFGHREV-AUUYWEPGSA-N 1 0 328.412 2.710 20 10 EFCDRO Fc1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)ccc1N1CCOCC1 ZINC000121224501 1303787706 /nfs/dbraw/zinc/78/77/06/1303787706.db2.gz ZZFNHHKMEKVZQU-MRXNPFEDSA-N 1 0 344.434 2.765 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CCOC[C@H]2C)c1O ZINC000796496606 1304001815 /nfs/dbraw/zinc/00/18/15/1304001815.db2.gz BLKFQRBFFJZEQS-GHMZBOCLSA-N 1 0 344.249 2.926 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@](C)([NH3+])C3)c2C)cc1 ZINC000868073463 1304110202 /nfs/dbraw/zinc/11/02/02/1304110202.db2.gz NJZQCVACENUDIF-LJQANCHMSA-N 1 0 327.428 2.666 20 10 EFCDRO C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccccc1O ZINC000868166869 1304166255 /nfs/dbraw/zinc/16/62/55/1304166255.db2.gz IBSMCGKZXCOMQS-GFCCVEGCSA-N 1 0 327.384 2.757 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(-n2cnnn2)c1 ZINC000122414088 1304608936 /nfs/dbraw/zinc/60/89/36/1304608936.db2.gz PDEBMAUEZRSFDZ-CYBMUJFWSA-N 1 0 340.406 2.718 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC[C@@H]3CCOC3)C2)cc1C ZINC001018693426 1314005543 /nfs/dbraw/zinc/00/55/43/1314005543.db2.gz KDUIUTUYIXDRMZ-AEFFLSMTSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccccc3O)C2)cc1C ZINC000967263463 1304774443 /nfs/dbraw/zinc/77/44/43/1304774443.db2.gz LTTAHIKGDWLWHS-MRXNPFEDSA-N 1 0 340.423 2.714 20 10 EFCDRO C[NH+]1CC2(C1)CCCN(Cc1ccc(N3CCOCC3)c(Cl)c1)C2 ZINC001276593321 1314027889 /nfs/dbraw/zinc/02/78/89/1314027889.db2.gz HKRZQOGLXZYJHW-UHFFFAOYSA-N 1 0 349.906 2.704 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccnc(F)c3)C2)cc1C ZINC000967623901 1305246789 /nfs/dbraw/zinc/24/67/89/1305246789.db2.gz FEKHUTFXNNBGQE-MRXNPFEDSA-N 1 0 343.402 2.542 20 10 EFCDRO CC(C)[NH+]1CCC(CCNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000870955935 1305709074 /nfs/dbraw/zinc/70/90/74/1305709074.db2.gz DRKAIYIOTNRRHC-GQCTYLIASA-N 1 0 332.444 2.738 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)C(F)F)cc1C ZINC001036918880 1305738936 /nfs/dbraw/zinc/73/89/36/1305738936.db2.gz RSWMWXZGTVVUJM-KGLIPLIRSA-N 1 0 326.387 2.643 20 10 EFCDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2cc(C)ccc2O)s1 ZINC000796531404 1305971320 /nfs/dbraw/zinc/97/13/20/1305971320.db2.gz YUSQKJGNXVFFCE-NEPJUHHUSA-N 1 0 348.472 2.867 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3C=CC=CC=C3)C2)cc1C ZINC001018923124 1314095868 /nfs/dbraw/zinc/09/58/68/1314095868.db2.gz LTSVZKHYUCUWFT-IBGZPJMESA-N 1 0 338.451 2.993 20 10 EFCDRO CC[C@@H](C)C[NH+]1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001044352891 1306449727 /nfs/dbraw/zinc/44/97/27/1306449727.db2.gz WSWNLDSNXZDGCY-GFCCVEGCSA-N 1 0 331.420 2.651 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cn[nH]c3)[C@H](C)C2)cc1C ZINC001044468917 1306536890 /nfs/dbraw/zinc/53/68/90/1306536890.db2.gz AFDKJMZEQKSCTN-PBHICJAKSA-N 1 0 342.443 2.510 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3(C(F)F)CC3)C2)cc1C ZINC000968656254 1306543000 /nfs/dbraw/zinc/54/30/00/1306543000.db2.gz OOFLNOBJOUXCFL-CQSZACIVSA-N 1 0 338.398 2.739 20 10 EFCDRO C[C@@H]1CC[N@H+](CCCF)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000968684664 1306566261 /nfs/dbraw/zinc/56/62/61/1306566261.db2.gz GOVCYUWIAKRJKS-DOMZBBRYSA-N 1 0 349.410 2.649 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cnco3)[C@@H](C)C2)cc1C ZINC001044697903 1306727527 /nfs/dbraw/zinc/72/75/27/1306727527.db2.gz OIVZKTRVXVRTGV-GOEBONIOSA-N 1 0 343.427 2.775 20 10 EFCDRO CC[C@@H](C)C[N@H+](CC)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000748828535 1314144816 /nfs/dbraw/zinc/14/48/16/1314144816.db2.gz NAQMCJRPBJODEX-QGZVFWFLSA-N 1 0 347.503 2.712 20 10 EFCDRO CC(C)[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC001044879485 1306891371 /nfs/dbraw/zinc/89/13/71/1306891371.db2.gz PKJRFQLUDCBZPB-SWLSCSKDSA-N 1 0 331.420 2.840 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCC3(F)F)C2)cc1C ZINC000969041704 1306916613 /nfs/dbraw/zinc/91/66/13/1306916613.db2.gz WFOXVMLXOSCULD-HUUCEWRRSA-N 1 0 338.398 2.739 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C)SC)cc1C ZINC001044939710 1306941279 /nfs/dbraw/zinc/94/12/79/1306941279.db2.gz YSLYKJWWVISRBI-HOCLYGCPSA-N 1 0 336.501 2.836 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CCCOC2)cc1C ZINC001044956396 1306953779 /nfs/dbraw/zinc/95/37/79/1306953779.db2.gz RAQIKBPYQNPDIL-ROUUACIJSA-N 1 0 346.471 2.511 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(CN2CCOC[C@H]2C[NH+](C)C)cc1 ZINC001209520182 1314178999 /nfs/dbraw/zinc/17/89/99/1314178999.db2.gz PXZGTDIWHSZXIX-HXUWFJFHSA-N 1 0 327.472 2.857 20 10 EFCDRO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)nn1C ZINC000800475277 1307921582 /nfs/dbraw/zinc/92/15/82/1307921582.db2.gz USENRKDJKBTCJO-CVEARBPZSA-N 1 0 328.460 2.977 20 10 EFCDRO OCCNc1ncc(-c2nccc3c2ccn3Cc2ccccc2)cn1 ZINC001242832864 1314237886 /nfs/dbraw/zinc/23/78/86/1314237886.db2.gz SXNSVWZVHFWYFC-UHFFFAOYSA-N 1 0 345.406 2.946 20 10 EFCDRO CCOc1cccc(CN2CC[NH2+][C@@H](Cc3ccccc3)C2)c1O ZINC001210312237 1314312568 /nfs/dbraw/zinc/31/25/68/1314312568.db2.gz WOVDZLICIVQFRV-SFHVURJKSA-N 1 0 326.440 2.807 20 10 EFCDRO Oc1cc(O)c(CN2CC[NH2+][C@H](Cc3ccccc3)C2)cc1Cl ZINC001210356196 1314318540 /nfs/dbraw/zinc/31/85/40/1314318540.db2.gz MGCRHJSYQLQEIF-OAHLLOKOSA-N 1 0 332.831 2.768 20 10 EFCDRO CCOc1ccc(CN2CC[NH2+][C@H](Cc3ccccc3)C2)c(O)c1 ZINC001210382114 1314324646 /nfs/dbraw/zinc/32/46/46/1314324646.db2.gz DXZJGPJXXSSHDE-GOSISDBHSA-N 1 0 326.440 2.807 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc(C)[nH]c3C)C2)cc1C ZINC001019440777 1314340717 /nfs/dbraw/zinc/34/07/17/1314340717.db2.gz SMYKXGSUZCVXFQ-KRWDZBQOSA-N 1 0 341.455 2.953 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC34CCC4)C2)cc1C ZINC001019442084 1314341382 /nfs/dbraw/zinc/34/13/82/1314341382.db2.gz CTMRQDFYRVLRDM-DLBZAZTESA-N 1 0 328.456 2.884 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3nc(C)oc3C)C2)cc1C ZINC001019556410 1314382952 /nfs/dbraw/zinc/38/29/52/1314382952.db2.gz HZWFLTOAAMBYDS-INIZCTEOSA-N 1 0 343.427 2.613 20 10 EFCDRO CCCC[N@H+](CC(=O)NC(=O)NC1CCCC1)Cc1ccccc1O ZINC000801597066 1310576046 /nfs/dbraw/zinc/57/60/46/1310576046.db2.gz ZNNWJUPVMOFVHD-UHFFFAOYSA-N 1 0 347.459 2.763 20 10 EFCDRO Oc1c(CN2CCC[C@@]23CCC[NH2+]C3)cc2c3c1CCCN3CCC2 ZINC001222243980 1311104365 /nfs/dbraw/zinc/10/43/65/1311104365.db2.gz RNVDBLPQRORGHL-OAQYLSRUSA-N 1 0 341.499 2.809 20 10 EFCDRO Clc1cc(CN2CCC[C@@]23CCC[NH2+]C3)ccc1N1CCOCC1 ZINC001222247150 1311104853 /nfs/dbraw/zinc/10/48/53/1311104853.db2.gz CZNWYQUQEMNUAT-LJQANCHMSA-N 1 0 349.906 2.895 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222252457 1311105578 /nfs/dbraw/zinc/10/55/78/1311105578.db2.gz FANLLIPSZAGNBW-LJQANCHMSA-N 1 0 349.906 2.895 20 10 EFCDRO Cc1cc(O)c(CN2CC3(C2)CCC[NH2+]C3)cc1Br ZINC001222339832 1311116750 /nfs/dbraw/zinc/11/67/50/1311116750.db2.gz HLSCEQGEYDYWNT-UHFFFAOYSA-N 1 0 325.250 2.649 20 10 EFCDRO Oc1ccc2cc(Br)ccc2c1CN1CC2(C[NH2+]C2)C1 ZINC001222464898 1311136371 /nfs/dbraw/zinc/13/63/71/1311136371.db2.gz HOOPLVYOXCBPHJ-UHFFFAOYSA-N 1 0 333.229 2.713 20 10 EFCDRO Cc1cc(O)c(CN2CC[C@@]3(CCC[NH2+]3)C2)cc1Br ZINC001222477115 1311138480 /nfs/dbraw/zinc/13/84/80/1311138480.db2.gz HWXSSOBDBGZMGG-HNNXBMFYSA-N 1 0 325.250 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)c3ccon3)C2)cc1C ZINC001047745369 1311139374 /nfs/dbraw/zinc/13/93/74/1311139374.db2.gz VXZPFSSKKHDYMM-GOEBONIOSA-N 1 0 343.427 2.632 20 10 EFCDRO CN1CCOc2cc(CN3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)ccc21 ZINC001222602453 1311158563 /nfs/dbraw/zinc/15/85/63/1311158563.db2.gz QGCWHJQJAYFWAT-IBGZPJMESA-N 1 0 349.478 2.704 20 10 EFCDRO CCOC(=O)c1c(CN2CC[C@H]3C[NH2+]CC[C@H]32)c2ccccc2n1C ZINC001222620378 1311162442 /nfs/dbraw/zinc/16/24/42/1311162442.db2.gz PJFVQLSEULUUJE-WMLDXEAASA-N 1 0 341.455 2.539 20 10 EFCDRO CC[N@H+](CC(=O)NC)Cc1ccc(OCc2ccccc2)cc1O ZINC000753538407 1311173417 /nfs/dbraw/zinc/17/34/17/1311173417.db2.gz PGMFQNURKKASTG-UHFFFAOYSA-N 1 0 328.412 2.539 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)c3cc[nH]c3)C2)cc1C ZINC001047859382 1311232182 /nfs/dbraw/zinc/23/21/82/1311232182.db2.gz NPFQTSXRMQHGMU-YJBOKZPZSA-N 1 0 341.455 2.972 20 10 EFCDRO CCN(C(=O)[C@@H]1CC12CC[NH+](Cc1ccc(O)c(O)c1)CC2)C(C)C ZINC001276914629 1311296740 /nfs/dbraw/zinc/29/67/40/1311296740.db2.gz RVOVWHVOAKBSPK-INIZCTEOSA-N 1 0 346.471 2.957 20 10 EFCDRO C[C@@]1(CNC(=O)c2cccc(O)c2O)CC[N@H+](Cc2ccccc2)C1 ZINC000381200841 1311308221 /nfs/dbraw/zinc/30/82/21/1311308221.db2.gz OZLPGHOVBXHTRX-FQEVSTJZSA-N 1 0 340.423 2.740 20 10 EFCDRO CCOc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCn2ccnc2)cc1 ZINC001276926578 1311312034 /nfs/dbraw/zinc/31/20/34/1311312034.db2.gz VJXMLUMUPDSBGW-OALUTQOASA-N 1 0 326.444 2.635 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N2CC=CC2)cc1C ZINC001276929208 1311316174 /nfs/dbraw/zinc/31/61/74/1311316174.db2.gz OWLGDXGCYULJOY-LCLWPZTBSA-N 1 0 340.467 2.906 20 10 EFCDRO CCN(C(=O)[C@H]1CC12C[NH+](Cc1ccc(N(C)C)cc1)C2)C(C)C ZINC001276959004 1311367230 /nfs/dbraw/zinc/36/72/30/1311367230.db2.gz YECHBTSAWMCBSJ-GOSISDBHSA-N 1 0 329.488 2.831 20 10 EFCDRO Nc1cccc(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)[nH+]1 ZINC001158870022 1311406545 /nfs/dbraw/zinc/40/65/45/1311406545.db2.gz IVRLRPAYVSZPQB-UHFFFAOYSA-N 1 0 338.333 2.889 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)CC3CC3)C[C@H]2C)cc1C ZINC001048097335 1311453720 /nfs/dbraw/zinc/45/37/20/1311453720.db2.gz FUZLZAHXCXDRFB-QAPCUYQASA-N 1 0 330.472 2.988 20 10 EFCDRO COc1ccc(N2CCCC3(C[NH+](CCn4ccnc4)C3)C2)cc1F ZINC001277009527 1311456653 /nfs/dbraw/zinc/45/66/53/1311456653.db2.gz JHQNUCXKCKRSBP-UHFFFAOYSA-N 1 0 344.434 2.633 20 10 EFCDRO COc1ccc(N2CCC[C@@]3(CC[N@H+](CCN(C)C)C3)C2)cc1F ZINC001277010655 1311457771 /nfs/dbraw/zinc/45/77/71/1311457771.db2.gz VOTMZQWVZCZZJG-IBGZPJMESA-N 1 0 335.467 2.688 20 10 EFCDRO COc1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(=O)[nH]2)c(C)c1 ZINC001277018828 1311474227 /nfs/dbraw/zinc/47/42/27/1311474227.db2.gz QIHOMAAKQMMABQ-CALCHBBNSA-N 1 0 339.439 2.957 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C(C)(F)F)C[C@H]2C)cc1C ZINC001048115459 1311474524 /nfs/dbraw/zinc/47/45/24/1311474524.db2.gz XIXWAZLZWCQOAA-UKRRQHHQSA-N 1 0 340.414 2.843 20 10 EFCDRO CC[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001159626586 1311554487 /nfs/dbraw/zinc/55/44/87/1311554487.db2.gz AZGZTOOXLNYKCN-ROUUACIJSA-N 1 0 348.487 2.805 20 10 EFCDRO C[NH+](C)C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000802377345 1311604519 /nfs/dbraw/zinc/60/45/19/1311604519.db2.gz GARQWRAADFFQQI-CQSZACIVSA-N 1 0 334.803 2.784 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@@H]2C)cc1C ZINC001048257511 1311609089 /nfs/dbraw/zinc/60/90/89/1311609089.db2.gz BHTNNLXTBFYLRE-MAUKXSAKSA-N 1 0 341.455 2.830 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C3(C)CC3)C[C@@H]2C)cc1C ZINC001048266639 1311619373 /nfs/dbraw/zinc/61/93/73/1311619373.db2.gz OUYQXUCQQGYRNB-RDJZCZTQSA-N 1 0 330.472 2.988 20 10 EFCDRO C[C@H](C[N+](C)(C)C)Oc1cccc2c1C(=O)c1c(O)cccc1C2=O ZINC001226380777 1311658579 /nfs/dbraw/zinc/65/85/79/1311658579.db2.gz ALWYGFRLZBQXQO-GFCCVEGCSA-O 1 0 340.399 2.641 20 10 EFCDRO O=C([C@H]1CC12C[NH+](Cc1ccc(N3CCCC3)cc1)C2)N1CC=CC1 ZINC001277211469 1311809305 /nfs/dbraw/zinc/80/93/05/1311809305.db2.gz LDIYMKMHFONLMC-LJQANCHMSA-N 1 0 337.467 2.507 20 10 EFCDRO C[C@@H](C[N+](C)(C)C)Oc1c(O)ccc2c1C(=O)c1ccccc1C2=O ZINC001227578062 1311824575 /nfs/dbraw/zinc/82/45/75/1311824575.db2.gz PKJCVYXAXREZHS-LBPRGKRZSA-O 1 0 340.399 2.641 20 10 EFCDRO CN1CCCc2cc(C[NH+]3CC4(C[C@H]4C(=O)NC(C)(C)C)C3)ccc21 ZINC001277253940 1311875412 /nfs/dbraw/zinc/87/54/12/1311875412.db2.gz KZZGAIWSVHTYFE-KRWDZBQOSA-N 1 0 341.499 2.806 20 10 EFCDRO CN1CCCc2cc(C[NH+]3CC4(C[C@@H]4C(=O)NC(C)(C)C)C3)ccc21 ZINC001277253941 1311875631 /nfs/dbraw/zinc/87/56/31/1311875631.db2.gz KZZGAIWSVHTYFE-QGZVFWFLSA-N 1 0 341.499 2.806 20 10 EFCDRO CCC[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CC(=O)N(C)C1=O ZINC000802656739 1311892353 /nfs/dbraw/zinc/89/23/53/1311892353.db2.gz SZTXAYNPPIZYCO-GOSISDBHSA-N 1 0 343.471 2.646 20 10 EFCDRO Cc1cccc(C[NH2+][C@H](C)CCNS(=O)(=O)c2ccccc2)c1O ZINC000802660660 1311895815 /nfs/dbraw/zinc/89/58/15/1311895815.db2.gz SHJIGUDREKVPIE-OAHLLOKOSA-N 1 0 348.468 2.547 20 10 EFCDRO CCc1cnccc1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001161501907 1311901598 /nfs/dbraw/zinc/90/15/98/1311901598.db2.gz NHUUPIISPPGENJ-UHFFFAOYSA-N 1 0 341.455 2.871 20 10 EFCDRO CCc1cccnc1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001161532584 1311909047 /nfs/dbraw/zinc/90/90/47/1311909047.db2.gz YGDHJAXJJIYQBI-UHFFFAOYSA-N 1 0 341.455 2.871 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(N)=O)c(OC)c1 ZINC001277295165 1311939070 /nfs/dbraw/zinc/93/90/70/1311939070.db2.gz DCFIAGQXPPYSMP-SPLQCWDRSA-N 1 0 345.487 2.531 20 10 EFCDRO CN(C)/C=C/c1cc(N(CC[NH3+])c2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC001161883019 1311994449 /nfs/dbraw/zinc/99/44/49/1311994449.db2.gz XAFXENDCFDWJPR-VQHVLOKHSA-N 1 0 345.378 2.758 20 10 EFCDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2c1C(=O)c1cccc(O)c1C2=O ZINC001229191869 1312059306 /nfs/dbraw/zinc/05/93/06/1312059306.db2.gz FNIRUZBJICSBNR-LBPRGKRZSA-O 1 0 340.399 2.641 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@]23CCC[C@H]2OCC3)cc1C ZINC001162358166 1312093504 /nfs/dbraw/zinc/09/35/04/1312093504.db2.gz HSNLILIQBTUEJR-QUCCMNQESA-N 1 0 346.471 2.559 20 10 EFCDRO O=C(NCC(F)F)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001277442243 1312178246 /nfs/dbraw/zinc/17/82/46/1312178246.db2.gz UVZAFNQURLHCSW-KSSFIOAISA-N 1 0 338.398 2.766 20 10 EFCDRO Cc1noc(NC(=O)C23CC([NH2+]Cc4ccccc4O)(C2)C3)c1C ZINC001277442616 1312179111 /nfs/dbraw/zinc/17/91/11/1312179111.db2.gz XYMKFZPWGLKWOL-UHFFFAOYSA-N 1 0 327.384 2.648 20 10 EFCDRO CC(C)(C)NC(=O)c1ccc2c(n1)CC[N@@H+](Cc1ccccc1O)C2 ZINC001277442504 1312179146 /nfs/dbraw/zinc/17/91/46/1312179146.db2.gz WQKAXRJYLZSYBO-UHFFFAOYSA-N 1 0 339.439 2.874 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cc(C)c(C)cn2)cc1C ZINC001162980718 1312218168 /nfs/dbraw/zinc/21/81/68/1312218168.db2.gz VHGWKVLLJHYDCN-UHFFFAOYSA-N 1 0 341.455 2.925 20 10 EFCDRO CCOc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N(CC)C(C)C)C2)c1O ZINC001277453722 1312224335 /nfs/dbraw/zinc/22/43/35/1312224335.db2.gz HDKXPSNXVGVTRZ-OXQOHEQNSA-N 1 0 346.471 2.870 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CCCC23CC3)c1O ZINC001277453931 1312228787 /nfs/dbraw/zinc/22/87/87/1312228787.db2.gz LBTRCVGNCMQQNI-QRWLVFNGSA-N 1 0 342.439 2.520 20 10 EFCDRO CCCc1cc(C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001163692103 1312365298 /nfs/dbraw/zinc/36/52/98/1312365298.db2.gz ZJTKYIXEMGVIGY-UHFFFAOYSA-N 1 0 344.459 2.589 20 10 EFCDRO CC[C@H](OC)C(=O)NCCC1(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001163725274 1312372621 /nfs/dbraw/zinc/37/26/21/1312372621.db2.gz PCMRIHNIPULMJW-KRWDZBQOSA-N 1 0 348.487 2.805 20 10 EFCDRO O=C(NCc1cccc(Br)c1O)c1ccc2c[nH+]cn2c1 ZINC000803212859 1312373553 /nfs/dbraw/zinc/37/35/53/1312373553.db2.gz JRLNSDNPRIMMBA-UHFFFAOYSA-N 1 0 346.184 2.732 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2Cc3ccccc3OCC2=O)c1 ZINC000903180999 1312437353 /nfs/dbraw/zinc/43/73/53/1312437353.db2.gz LYCWDPHWKZRKNS-HNNXBMFYSA-N 1 0 340.423 2.772 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]CCN2Cc3ccccc3OCC2=O)c(O)c1 ZINC000903181646 1312438104 /nfs/dbraw/zinc/43/81/04/1312438104.db2.gz SZJXAIUSHREDPY-HNNXBMFYSA-N 1 0 340.423 2.772 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](C)C(F)(F)F)cc1C ZINC001164089795 1312445265 /nfs/dbraw/zinc/44/52/65/1312445265.db2.gz QMEWIUGMBRMGAN-GFCCVEGCSA-N 1 0 332.366 2.798 20 10 EFCDRO CCOC(=O)C[C@H]1OCCc2cc(N(CCC[NH3+])C(C)C)ccc21 ZINC001164126998 1312453264 /nfs/dbraw/zinc/45/32/64/1312453264.db2.gz NAHUCEZMHBELIT-GOSISDBHSA-N 1 0 334.460 2.817 20 10 EFCDRO C[C@@H]([NH2+]CCN1CCCOCC1)c1cc(Br)ccc1O ZINC000903226490 1312480016 /nfs/dbraw/zinc/48/00/16/1312480016.db2.gz GCSOGIPBWPTLJW-GFCCVEGCSA-N 1 0 343.265 2.528 20 10 EFCDRO COc1ccc(N2CC[NH+](CCCNc3cccnc3)CC2)cc1 ZINC001164330455 1312493583 /nfs/dbraw/zinc/49/35/83/1312493583.db2.gz UDHNWHMBOIFYDR-UHFFFAOYSA-N 1 0 326.444 2.714 20 10 EFCDRO COC(=O)c1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)ccc1O ZINC001231416997 1312494214 /nfs/dbraw/zinc/49/42/14/1312494214.db2.gz DYEVCBDVVOMRLE-UHFFFAOYSA-N 1 0 328.412 2.877 20 10 EFCDRO Cc1cc(F)cc(CN2CC3(C2)CC[N@H+](Cc2ccc[nH]2)C3)c1O ZINC001277519504 1312499436 /nfs/dbraw/zinc/49/94/36/1312499436.db2.gz ZEMBIDFJBQNUDG-UHFFFAOYSA-N 1 0 329.419 2.876 20 10 EFCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001231465559 1312504530 /nfs/dbraw/zinc/50/45/30/1312504530.db2.gz FFZKGFFBYJKPDM-IEBWSBKVSA-N 1 0 331.387 2.876 20 10 EFCDRO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000903267893 1312523652 /nfs/dbraw/zinc/52/36/52/1312523652.db2.gz HFJURITYLYJODZ-SQWLQELKSA-N 1 0 348.443 2.603 20 10 EFCDRO COc1ccc(Br)c(C[N@H+](C)CC2(C)COC2)c1O ZINC001231554308 1312524544 /nfs/dbraw/zinc/52/45/44/1312524544.db2.gz OBYCWIBWBGGXMY-UHFFFAOYSA-N 1 0 330.222 2.632 20 10 EFCDRO COc1ccc(Br)c(C[N@@H+]2CCC[C@H]2C(C)(C)O)c1O ZINC001231558251 1312524819 /nfs/dbraw/zinc/52/48/19/1312524819.db2.gz ZVIYKHVIIYYZLH-ZDUSSCGKSA-N 1 0 344.249 2.899 20 10 EFCDRO CCN1C(=O)[C@]2(CC[C@@H]3C[N@H+](Cc4cccc(C)c4O)C[C@@H]32)N=C1C ZINC001231591356 1312528754 /nfs/dbraw/zinc/52/87/54/1312528754.db2.gz ATAKOXVTOREMCL-OXFYSEKESA-N 1 0 341.455 2.562 20 10 EFCDRO CC(C)(O)CCN1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC001231589982 1312529047 /nfs/dbraw/zinc/52/90/47/1312529047.db2.gz WZFKHCUYNFNPLS-UHFFFAOYSA-N 1 0 328.456 2.824 20 10 EFCDRO COc1cc(C[N@H+](C)Cc2cc(OC)c(O)cc2O)cc(OC)c1 ZINC001231635545 1312535881 /nfs/dbraw/zinc/53/58/81/1312535881.db2.gz FFDBZXDXTNNKLB-UHFFFAOYSA-N 1 0 333.384 2.756 20 10 EFCDRO COc1cc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c(O)cc1O ZINC001231634587 1312536375 /nfs/dbraw/zinc/53/63/75/1312536375.db2.gz OTEOUWUDABSTGP-MRXNPFEDSA-N 1 0 328.412 2.595 20 10 EFCDRO COc1ccccc1O[C@H]1CC[N@@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231636641 1312536992 /nfs/dbraw/zinc/53/69/92/1312536992.db2.gz ZDCLFZQMIROPGQ-AWEZNQCLSA-N 1 0 345.395 2.768 20 10 EFCDRO COc1cc(C[N@@H+]2CCN(C)[C@H](c3ccccc3)C2)c(O)cc1O ZINC001231637049 1312537299 /nfs/dbraw/zinc/53/72/99/1312537299.db2.gz YUPSGCOMNSUPTA-INIZCTEOSA-N 1 0 328.412 2.595 20 10 EFCDRO COc1cc(CN2CC[N@@H+](C3CCCCC3)[C@@H](C)C2)c(O)cc1O ZINC001231639849 1312537704 /nfs/dbraw/zinc/53/77/04/1312537704.db2.gz LWULJXHEXJDIJV-AWEZNQCLSA-N 1 0 334.460 2.945 20 10 EFCDRO COc1cc(C[NH+]2CCC(Oc3ccc(F)cn3)CC2)c(O)cc1O ZINC001231640542 1312538008 /nfs/dbraw/zinc/53/80/08/1312538008.db2.gz SWXYJFVYUICHLV-UHFFFAOYSA-N 1 0 348.374 2.684 20 10 EFCDRO COc1cc(C[N@H+](C)Cc2ccc(-n3ccnc3)cc2)c(O)cc1O ZINC001231639689 1312538094 /nfs/dbraw/zinc/53/80/94/1312538094.db2.gz ZKKKCVYHDOKJHS-UHFFFAOYSA-N 1 0 339.395 2.924 20 10 EFCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2cc(OC)c(O)cc2O)C[C@@H]1C ZINC001231640911 1312538655 /nfs/dbraw/zinc/53/86/55/1312538655.db2.gz WGUBAOGQSWHDDK-STQMWFEESA-N 1 0 337.416 2.518 20 10 EFCDRO C[C@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1ccc2ccccc2c1O ZINC000903291167 1312542070 /nfs/dbraw/zinc/54/20/70/1312542070.db2.gz QHSQHFSKDYPWOH-AWEZNQCLSA-N 1 0 348.468 2.622 20 10 EFCDRO COc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)cc1OC(C)=O ZINC001231710447 1312553738 /nfs/dbraw/zinc/55/37/38/1312553738.db2.gz KKYRQLKBEFTUKW-UHFFFAOYSA-N 1 0 327.380 2.884 20 10 EFCDRO Cc1ccc(C[NH+]2CC3(C[C@@H]3C(=O)N3CCCC34CC4)C2)c(O)c1 ZINC001277569198 1312568625 /nfs/dbraw/zinc/56/86/25/1312568625.db2.gz YCIMVOJOKJSCBL-MRXNPFEDSA-N 1 0 326.440 2.678 20 10 EFCDRO Cc1cc(C)c(C[NH+]2CCN(c3nccnc3Cl)CC2)c(O)c1 ZINC001231842798 1312572470 /nfs/dbraw/zinc/57/24/70/1312572470.db2.gz PXGCJOAXZAMIIS-UHFFFAOYSA-N 1 0 332.835 2.775 20 10 EFCDRO Cc1cc(C)c(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](CO)C2)c(O)c1 ZINC001231842214 1312572812 /nfs/dbraw/zinc/57/28/12/1312572812.db2.gz KXDNHTQNBZEABW-LJQANCHMSA-N 1 0 340.467 2.688 20 10 EFCDRO Cc1cc(C)c(C[NH+]2CCN(C(=O)Cc3ccsc3)CC2)c(O)c1 ZINC001231847526 1312573359 /nfs/dbraw/zinc/57/33/59/1312573359.db2.gz AMOUPLDLSBLATJ-UHFFFAOYSA-N 1 0 344.480 2.957 20 10 EFCDRO COc1cccc(N2CC[NH+](Cc3c(C)cc(C)cc3O)CC2)n1 ZINC001231849214 1312573961 /nfs/dbraw/zinc/57/39/61/1312573961.db2.gz PZQGNBIMTFBVRO-UHFFFAOYSA-N 1 0 327.428 2.735 20 10 EFCDRO COc1ccc(N2CC[NH+](Cc3c(C)cc(C)cc3O)CC2)nc1 ZINC001231850385 1312574170 /nfs/dbraw/zinc/57/41/70/1312574170.db2.gz OHIPUFKMLIOMDA-UHFFFAOYSA-N 1 0 327.428 2.735 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC001231848034 1312574222 /nfs/dbraw/zinc/57/42/22/1312574222.db2.gz FCBYKNONFYLQRR-UHFFFAOYSA-N 1 0 340.471 2.869 20 10 EFCDRO CCOC(=O)CC1CC[NH+](Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231851473 1312574352 /nfs/dbraw/zinc/57/43/52/1312574352.db2.gz HVYCSFYUIWARJT-UHFFFAOYSA-N 1 0 334.460 2.926 20 10 EFCDRO Cc1cc(C)c(C[NH+]2CCC(NC(=O)N3CCCC3)CC2)c(O)c1 ZINC001231851066 1312574519 /nfs/dbraw/zinc/57/45/19/1312574519.db2.gz YYDINUWYSIZSIR-UHFFFAOYSA-N 1 0 331.460 2.779 20 10 EFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC001231854070 1312574704 /nfs/dbraw/zinc/57/47/04/1312574704.db2.gz YEGPZSAFMKAVNU-UHFFFAOYSA-N 1 0 345.487 2.642 20 10 EFCDRO CCCCOC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231855738 1312574807 /nfs/dbraw/zinc/57/48/07/1312574807.db2.gz GZNUOJRRNPFDCH-INIZCTEOSA-N 1 0 334.460 2.926 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](Oc2cnccn2)C1 ZINC001231854277 1312574982 /nfs/dbraw/zinc/57/49/82/1312574982.db2.gz BVEHNUWZBOCNHB-QGZVFWFLSA-N 1 0 342.443 2.595 20 10 EFCDRO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231855080 1312575825 /nfs/dbraw/zinc/57/58/25/1312575825.db2.gz QDOLTRJZSKGDAB-LJQANCHMSA-N 1 0 334.460 2.926 20 10 EFCDRO Cc1cc(O)c(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)cc1Cl ZINC001231867118 1312577424 /nfs/dbraw/zinc/57/74/24/1312577424.db2.gz LLGSDJNYVDSZEO-GJZGRUSLSA-N 1 0 344.846 2.712 20 10 EFCDRO Oc1c(C[N@@H+]2CCOC[C@](O)(C(F)(F)F)C2)ccc2ccccc21 ZINC001231879536 1312579826 /nfs/dbraw/zinc/57/98/26/1312579826.db2.gz HKUZRCNWTJKNLH-INIZCTEOSA-N 1 0 341.329 2.671 20 10 EFCDRO CCO[C@@H]1C[C@H]2CN(Cc3ccc4ccccc4c3O)CC[N@@H+]2C1 ZINC001231880499 1312580020 /nfs/dbraw/zinc/58/00/20/1312580020.db2.gz NSPGFLJATZYQEI-ZWKOTPCHSA-N 1 0 326.440 2.840 20 10 EFCDRO C[NH+]1CCC(C[NH+]2CCN(Cc3cccc(Cl)c3[O-])CC2)CC1 ZINC001231913673 1312586950 /nfs/dbraw/zinc/58/69/50/1312586950.db2.gz PCYVVDWKGOFQBG-UHFFFAOYSA-N 1 0 337.895 2.505 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cccnc2C)cc1C ZINC001165484234 1312636464 /nfs/dbraw/zinc/63/64/64/1312636464.db2.gz LQHRAZZOWSCRGB-UHFFFAOYSA-N 1 0 327.428 2.617 20 10 EFCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)[C@@H]1CO ZINC001232194202 1312646532 /nfs/dbraw/zinc/64/65/32/1312646532.db2.gz DTIDJYILQOTVOT-RDTXWAMCSA-N 1 0 338.879 2.769 20 10 EFCDRO C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)[C@@H]1CO ZINC001232194199 1312646691 /nfs/dbraw/zinc/64/66/91/1312646691.db2.gz DTIDJYILQOTVOT-KBXCAEBGSA-N 1 0 338.879 2.769 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CCC[C@H]1O ZINC001232195849 1312647400 /nfs/dbraw/zinc/64/74/00/1312647400.db2.gz ZMZGPVUHOLBCQD-KBXCAEBGSA-N 1 0 338.879 2.769 20 10 EFCDRO Clc1cc(C[N@@H+]2CCC[C@]23CCOC3)ccc1N1CCOCC1 ZINC001232200371 1312647450 /nfs/dbraw/zinc/64/74/50/1312647450.db2.gz UVHQFVFEAHLHSJ-GOSISDBHSA-N 1 0 336.863 2.932 20 10 EFCDRO CCOC(=O)CN(CC)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232202219 1312647847 /nfs/dbraw/zinc/64/78/47/1312647847.db2.gz UZUCUSSAEKEHDU-UHFFFAOYSA-N 1 0 340.851 2.562 20 10 EFCDRO CCC[NH+]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232202989 1312648002 /nfs/dbraw/zinc/64/80/02/1312648002.db2.gz KUHNQTRNACJMIY-UHFFFAOYSA-N 1 0 337.895 2.704 20 10 EFCDRO Clc1cc(CN2CCC[N@@H+]3CCC[C@@H]3C2)ccc1N1CCOCC1 ZINC001232202946 1312648219 /nfs/dbraw/zinc/64/82/19/1312648219.db2.gz JBFHNPOZSQKEHX-QGZVFWFLSA-N 1 0 349.906 2.847 20 10 EFCDRO CC[N@H+]1C[C@H]2CN(Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@H]2C1 ZINC001232201265 1312648297 /nfs/dbraw/zinc/64/82/97/1312648297.db2.gz ITTMLQKYLFQLOJ-CALCHBBNSA-N 1 0 349.906 2.560 20 10 EFCDRO Clc1cc(CN2CCC([NH+]3CCC3)CC2)ccc1N1CCOCC1 ZINC001232204381 1312648592 /nfs/dbraw/zinc/64/85/92/1312648592.db2.gz MKFCJYGQIKPIAU-UHFFFAOYSA-N 1 0 349.906 2.847 20 10 EFCDRO C[C@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CC[C@]1(O)C(F)(F)F ZINC001232258956 1312659879 /nfs/dbraw/zinc/65/98/79/1312659879.db2.gz FKPZNVDYQGPPSY-ISVAXAHUSA-N 1 0 339.741 2.886 20 10 EFCDRO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Cl)c(O)cc1O ZINC001232260013 1312660465 /nfs/dbraw/zinc/66/04/65/1312660465.db2.gz ONVDPJUVFOJIIW-UHFFFAOYSA-N 1 0 330.812 2.708 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3ncccn3)C2)cc1Cl ZINC001232263337 1312661448 /nfs/dbraw/zinc/66/14/48/1312661448.db2.gz NDNZTWKELNFSKF-GFCCVEGCSA-N 1 0 335.791 2.585 20 10 EFCDRO CCCCOC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232264639 1312661622 /nfs/dbraw/zinc/66/16/22/1312661622.db2.gz KQVOQAASGVLEMZ-NSHDSACASA-N 1 0 327.808 2.916 20 10 EFCDRO Cc1cc(O[C@@H]2CCC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)ncn1 ZINC001232264975 1312661934 /nfs/dbraw/zinc/66/19/34/1312661934.db2.gz MIZWEKVCPSTNRF-CYBMUJFWSA-N 1 0 349.818 2.893 20 10 EFCDRO COc1cc(O)c(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)cc1Cl ZINC001232267345 1312662323 /nfs/dbraw/zinc/66/23/23/1312662323.db2.gz ABVMEQGCKPDOON-UHFFFAOYSA-N 1 0 334.803 2.756 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC3(CCCNC3=O)CC2)cc1Cl ZINC001232269565 1312662452 /nfs/dbraw/zinc/66/24/52/1312662452.db2.gz DVTOQFCPHRFZCM-UHFFFAOYSA-N 1 0 338.835 2.546 20 10 EFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2O)[C@H]1C ZINC001232269537 1312662599 /nfs/dbraw/zinc/66/25/99/1312662599.db2.gz CZFQTAZJUWQCPN-CMPLNLGQSA-N 1 0 327.808 2.828 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)cc1Cl ZINC001232268005 1312662639 /nfs/dbraw/zinc/66/26/39/1312662639.db2.gz LDRFRZVGRDNUJS-INIZCTEOSA-N 1 0 325.792 2.726 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)cc1Cl ZINC001232268006 1312662851 /nfs/dbraw/zinc/66/28/51/1312662851.db2.gz LDRFRZVGRDNUJS-MRXNPFEDSA-N 1 0 325.792 2.726 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](Oc3nccc(C)n3)C2)cc1Cl ZINC001232271562 1312663544 /nfs/dbraw/zinc/66/35/44/1312663544.db2.gz WWILPTGQQUNNTB-ZDUSSCGKSA-N 1 0 349.818 2.806 20 10 EFCDRO COCCCC[NH+]1CCN(Cc2cc(Cl)c(OC)cc2O)CC1 ZINC001232270547 1312663666 /nfs/dbraw/zinc/66/36/66/1312663666.db2.gz DXUWANASLNKOKK-UHFFFAOYSA-N 1 0 342.867 2.598 20 10 EFCDRO COC(=O)CC[C@H]1CC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232270142 1312663763 /nfs/dbraw/zinc/66/37/63/1312663763.db2.gz VDHGTQBVYMVHKT-NSHDSACASA-N 1 0 327.808 2.829 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C1=CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001245425588 1314489053 /nfs/dbraw/zinc/48/90/53/1314489053.db2.gz PMDPMQQCWIUOHX-HXUWFJFHSA-N 1 0 328.456 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[C@H]3CCCOC3)C2)cc1C ZINC001019784121 1314499351 /nfs/dbraw/zinc/49/93/51/1314499351.db2.gz AKAQLYJPKHFYNA-MSOLQXFVSA-N 1 0 346.471 2.511 20 10 EFCDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001052965160 1314523861 /nfs/dbraw/zinc/52/38/61/1314523861.db2.gz MVATWYFHFIKNAH-CQSZACIVSA-N 1 0 331.420 2.842 20 10 EFCDRO O=C(c1ccc(F)cc1)c1ccccc1NC[C@@]1(O)CCC[NH2+]C1 ZINC001245964201 1314556683 /nfs/dbraw/zinc/55/66/83/1314556683.db2.gz RATDVNNFDNOHKU-LJQANCHMSA-N 1 0 328.387 2.583 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccncc3F)C2)cc1C ZINC001020042660 1314582225 /nfs/dbraw/zinc/58/22/25/1314582225.db2.gz WGCZLOUPLWFMFQ-SHTZXODSSA-N 1 0 343.402 2.588 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@@H]3CCCCO3)C2)cc1C ZINC001020063436 1314595621 /nfs/dbraw/zinc/59/56/21/1314595621.db2.gz MPXNYZCJWNQOOT-BZSNNMDCSA-N 1 0 346.471 2.700 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3c(C)ccn3C)C2)cc1C ZINC001020105601 1314612098 /nfs/dbraw/zinc/61/20/98/1314612098.db2.gz AVXNCRPJUUDMOS-QAQDUYKDSA-N 1 0 341.455 2.701 20 10 EFCDRO COCCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001214292251 1314672743 /nfs/dbraw/zinc/67/27/43/1314672743.db2.gz HXYVAKRBTHBQHA-SJLPKXTDSA-N 1 0 348.487 2.757 20 10 EFCDRO CC[C@@H](C)OCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001214459371 1314694838 /nfs/dbraw/zinc/69/48/38/1314694838.db2.gz XIEWWRWHPLKVDU-JFIYKMOQSA-N 1 0 348.487 2.755 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccsn3)C2)cc1C ZINC001020279325 1314703629 /nfs/dbraw/zinc/70/36/29/1314703629.db2.gz DKKBGBLHSRUISK-HDJSIYSDSA-N 1 0 331.441 2.511 20 10 EFCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CN[C@H](C(=O)OC(C)(C)C)C1 ZINC001246920054 1314708806 /nfs/dbraw/zinc/70/88/06/1314708806.db2.gz IUZYBYRBJVLYGC-MSOLQXFVSA-N 1 0 347.503 2.647 20 10 EFCDRO FC(F)(F)Oc1ccc(N2CCN([C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246991783 1314726457 /nfs/dbraw/zinc/72/64/57/1314726457.db2.gz BTAGVOJACBAESC-OAHLLOKOSA-N 1 0 343.393 2.849 20 10 EFCDRO C[C@@H]1C[C@H](N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246997990 1314727368 /nfs/dbraw/zinc/72/73/68/1314727368.db2.gz WUMJYLAAWVXAKT-UKRRQHHQSA-N 1 0 343.393 2.848 20 10 EFCDRO c1ccc2oc(-c3ccc(N4CCN([C@H]5CC[NH2+]C5)CC4)cc3)nc2c1 ZINC001247001349 1314728647 /nfs/dbraw/zinc/72/86/47/1314728647.db2.gz JLJBTEUJJGVYTF-SFHVURJKSA-N 1 0 348.450 2.979 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[C@@H](OC)C3)C2)cc1C ZINC001020323902 1314733445 /nfs/dbraw/zinc/73/34/45/1314733445.db2.gz RXBVPIMLWLVHEH-XLAORIBOSA-N 1 0 346.471 2.556 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)n2)cc1 ZINC001247920683 1314868002 /nfs/dbraw/zinc/86/80/02/1314868002.db2.gz DFYXMGVVGRIOGO-RYQLBKOJSA-N 1 0 349.438 2.767 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(C[C@@H]3C[NH2+]CCO3)n2)cc1 ZINC001248352753 1314928107 /nfs/dbraw/zinc/92/81/07/1314928107.db2.gz QAPIFXQEFJYRAR-QGZVFWFLSA-N 1 0 338.411 2.675 20 10 EFCDRO CCC[N@H+](C)Cc1cc(I)cc(OC)c1O ZINC001248385824 1314930569 /nfs/dbraw/zinc/93/05/69/1314930569.db2.gz AHGAOKNAQWMAMT-UHFFFAOYSA-N 1 0 335.185 2.847 20 10 EFCDRO COc1cc(I)cc(C[N@@H+]2CC[C@@H](C)C2)c1O ZINC001248391278 1314931037 /nfs/dbraw/zinc/93/10/37/1314931037.db2.gz PSKAGVWOJPPMQW-SECBINFHSA-N 1 0 347.196 2.847 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)C2)cc1I ZINC001248462276 1314936247 /nfs/dbraw/zinc/93/62/47/1314936247.db2.gz SNBDGWXQQAMDCB-SECBINFHSA-N 1 0 347.196 2.847 20 10 EFCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)cc1Cl ZINC001248881073 1314991354 /nfs/dbraw/zinc/99/13/54/1314991354.db2.gz PRXWOCVBRJQUPE-BZNIZROVSA-N 1 0 327.852 2.518 20 10 EFCDRO CC(C)(C)c1cc(O)c(CN2CC[NH+](CCCO)CC2)cc1Cl ZINC001248880112 1314991368 /nfs/dbraw/zinc/99/13/68/1314991368.db2.gz GPIOHURFKSMTIM-UHFFFAOYSA-N 1 0 340.895 2.843 20 10 EFCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1[NH2+]C/C=C\Cl ZINC001216906144 1315021419 /nfs/dbraw/zinc/02/14/19/1315021419.db2.gz UVZMBUPTVORTAZ-DHJOAMNBSA-N 1 0 349.822 2.652 20 10 EFCDRO CC(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001216905578 1315021669 /nfs/dbraw/zinc/02/16/69/1315021669.db2.gz BMWCRQPRZUMJJS-CZUORRHYSA-N 1 0 345.447 2.945 20 10 EFCDRO COC(=O)Cc1ccc(C[NH+]2CCC(C(F)(F)F)CC2)c(O)c1 ZINC001249177490 1315030062 /nfs/dbraw/zinc/03/00/62/1315030062.db2.gz AQZWGUWWUQHVGT-UHFFFAOYSA-N 1 0 331.334 2.882 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c(O)c1 ZINC001249201412 1315032642 /nfs/dbraw/zinc/03/26/42/1315032642.db2.gz RYHFMBMZHYASPL-INIZCTEOSA-N 1 0 340.423 2.882 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCOC[C@H]2C2CCCCC2)c(O)c1 ZINC001249216985 1315033520 /nfs/dbraw/zinc/03/35/20/1315033520.db2.gz JMHDQNHDIDFQSN-SFHVURJKSA-N 1 0 347.455 2.889 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@]3(N)CCC[NH2+]C3)n2)cc1 ZINC001249226055 1315035484 /nfs/dbraw/zinc/03/54/84/1315035484.db2.gz LBFRQSLGBHJNAD-IBGZPJMESA-N 1 0 337.427 2.682 20 10 EFCDRO CN(C)C(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249244240 1315037935 /nfs/dbraw/zinc/03/79/35/1315037935.db2.gz CIYGKHAKTXLCJN-HNNXBMFYSA-N 1 0 344.455 2.877 20 10 EFCDRO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249244241 1315038214 /nfs/dbraw/zinc/03/82/14/1315038214.db2.gz CIYGKHAKTXLCJN-OAHLLOKOSA-N 1 0 344.455 2.877 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000038635166 1315039139 /nfs/dbraw/zinc/03/91/39/1315039139.db2.gz LPGASSAFYXIODD-LJQANCHMSA-N 1 0 336.439 2.657 20 10 EFCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249263634 1315041557 /nfs/dbraw/zinc/04/15/57/1315041557.db2.gz QSFFFKQMKZJXAW-IBGZPJMESA-N 1 0 331.412 2.961 20 10 EFCDRO [NH3+][C@H](Cc1nc(-c2cnc3c(c2)CCCC3)no1)c1ccccc1O ZINC001249339359 1315056398 /nfs/dbraw/zinc/05/63/98/1315056398.db2.gz MTPQLHIYEQINMK-OAHLLOKOSA-N 1 0 336.395 2.959 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@H]3CCC[NH2+]C[C@@H]3F)ccc21 ZINC001217952257 1315124688 /nfs/dbraw/zinc/12/46/88/1315124688.db2.gz VVUSHTPTUDFNEH-ROUUACIJSA-N 1 0 339.366 2.931 20 10 EFCDRO Cc1cc(O[C@@H]2CCC[NH2+]C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001217962674 1315126013 /nfs/dbraw/zinc/12/60/13/1315126013.db2.gz DYULDXIESKJAIT-GFCCVEGCSA-N 1 0 337.375 2.607 20 10 EFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CC[C@H](F)C2)c(O)c1 ZINC001249725997 1315127143 /nfs/dbraw/zinc/12/71/43/1315127143.db2.gz VRZVRJAAVMXBDR-AWEZNQCLSA-N 1 0 325.380 2.658 20 10 EFCDRO CCOC(=O)CCCOc1ccc(C[NH+]2CCSCC2)c(O)c1 ZINC001249731075 1315127722 /nfs/dbraw/zinc/12/77/22/1315127722.db2.gz QCMMXLDTMWRSKJ-UHFFFAOYSA-N 1 0 339.457 2.663 20 10 EFCDRO CCOC(=O)CCCOc1ccc(C[NH+]2CC(C(F)F)C2)c(O)c1 ZINC001249743958 1315130124 /nfs/dbraw/zinc/13/01/24/1315130124.db2.gz RAFKIXLPCJXAKU-UHFFFAOYSA-N 1 0 343.370 2.811 20 10 EFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@H]3CCC[NH2+]CC3)cccc21 ZINC001217995114 1315130589 /nfs/dbraw/zinc/13/05/89/1315130589.db2.gz LEZJSQDAPAVKLG-LBPRGKRZSA-N 1 0 337.375 2.689 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@H]3CC[NH2+]CC[C@H]3F)ccc21 ZINC001218027457 1315136204 /nfs/dbraw/zinc/13/62/04/1315136204.db2.gz ZILYOOSKWOTGLZ-MSOLQXFVSA-N 1 0 339.366 2.931 20 10 EFCDRO COc1c(C)c(O[C@@H]2CC[NH2+]C2)cc2c1C(=O)c1ccccc1C2=O ZINC001218037955 1315137565 /nfs/dbraw/zinc/13/75/65/1315137565.db2.gz CFRRYAKIXWMGAQ-GFCCVEGCSA-N 1 0 337.375 2.520 20 10 EFCDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1c(O)c(O)ccc1C(=O)c1ccccc1 ZINC001218043284 1315138017 /nfs/dbraw/zinc/13/80/17/1315138017.db2.gz JDDRZVXKPOAJMH-MLGOLLRUSA-N 1 0 327.380 2.706 20 10 EFCDRO C[C@H]1C[C@@H](Oc2cccc3c2C(=O)c2c(O)cccc2C3=O)CC[NH2+]1 ZINC001218050232 1315139612 /nfs/dbraw/zinc/13/96/12/1315139612.db2.gz PVRLNZMADHQXGB-RYUDHWBXSA-N 1 0 337.375 2.687 20 10 EFCDRO C[C@H]1C[C@@H](Oc2ccc(O)c3c2C(=O)c2ccccc2C3=O)CC[NH2+]1 ZINC001218056500 1315140729 /nfs/dbraw/zinc/14/07/29/1315140729.db2.gz OMSMGASPDDEBQX-RYUDHWBXSA-N 1 0 337.375 2.687 20 10 EFCDRO CC(C)(C)OC(=O)NCc1c[nH+]ccc1Nc1cccc(N)c1O ZINC001249825072 1315143243 /nfs/dbraw/zinc/14/32/43/1315143243.db2.gz GLBIIVFGSHVRLM-UHFFFAOYSA-N 1 0 330.388 2.560 20 10 EFCDRO CCOC(=O)[C@@H](Oc1ccc(N2CC[NH2+]CC2)cc1)c1ccccc1 ZINC001218161341 1315156996 /nfs/dbraw/zinc/15/69/96/1315156996.db2.gz JEBGBUUXPBDZIV-IBGZPJMESA-N 1 0 340.423 2.779 20 10 EFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cccc21 ZINC001218183721 1315161208 /nfs/dbraw/zinc/16/12/08/1315161208.db2.gz CTWSOGYYINXJKJ-CLLJXQQHSA-N 1 0 349.386 2.829 20 10 EFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cccc21 ZINC001218183723 1315161307 /nfs/dbraw/zinc/16/13/07/1315161307.db2.gz CTWSOGYYINXJKJ-ITGUQSILSA-N 1 0 349.386 2.829 20 10 EFCDRO CC(C)C[C@@H](Oc1ccc(N2CC[NH2+]CC2)cc1)C(=O)OC(C)C ZINC001218216326 1315165374 /nfs/dbraw/zinc/16/53/74/1315165374.db2.gz YFEPVICAYIGQHN-GOSISDBHSA-N 1 0 334.460 2.841 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3CCC4(C[NH2+]C4)C3)ccc(O)c21 ZINC001218234795 1315167991 /nfs/dbraw/zinc/16/79/91/1315167991.db2.gz KLSLBXSETWWGMW-LBPRGKRZSA-N 1 0 349.386 2.689 20 10 EFCDRO COc1ccc2c(c1O[C@@H]1CCC13C[NH2+]C3)C(=O)c1ccccc1C2=O ZINC001218241405 1315169779 /nfs/dbraw/zinc/16/97/79/1315169779.db2.gz JQQNPIUPYXYCBM-MRXNPFEDSA-N 1 0 349.386 2.601 20 10 EFCDRO Cc1cc(OC2CC3(CC[NH2+]3)C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218245830 1315170405 /nfs/dbraw/zinc/17/04/05/1315170405.db2.gz HQKKADXPFDKITG-UHFFFAOYSA-N 1 0 349.386 2.749 20 10 EFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3C[C@@H]4CC[NH2+][C@H]4C3)cccc21 ZINC001218247184 1315170633 /nfs/dbraw/zinc/17/06/33/1315170633.db2.gz PKWOQTZAQLYPPA-ZOWXZIJZSA-N 1 0 349.386 2.687 20 10 EFCDRO Cc1cc(CN2CC[NH+](C3CC3)CC2)c(O)cc1Br ZINC001250121009 1315175088 /nfs/dbraw/zinc/17/50/88/1315175088.db2.gz YLBVPGAYSWDHMX-UHFFFAOYSA-N 1 0 325.250 2.743 20 10 EFCDRO CCOC(=O)[C@@H]1CCCC[C@H]1Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218301722 1315176704 /nfs/dbraw/zinc/17/67/04/1315176704.db2.gz VFWNSZHRSOHREC-QZTJIDSGSA-N 1 0 332.444 2.597 20 10 EFCDRO Cc1cc(CN2CCC[C@@H]([NH+](C)C)C2)c(O)cc1Br ZINC001250128604 1315176793 /nfs/dbraw/zinc/17/67/93/1315176793.db2.gz HBFGEFMDTHIXAF-CYBMUJFWSA-N 1 0 327.266 2.989 20 10 EFCDRO Cc1cc(CN2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)c(O)cc1Br ZINC001250132987 1315177139 /nfs/dbraw/zinc/17/71/39/1315177139.db2.gz GGNXXBZKBYNCEQ-IUODEOHRSA-N 1 0 339.277 2.989 20 10 EFCDRO Cc1cc(CN(C)CC[NH+]2CCCC2)c(O)cc1Br ZINC001250133729 1315177190 /nfs/dbraw/zinc/17/71/90/1315177190.db2.gz RBAPYCOKYZGMFA-UHFFFAOYSA-N 1 0 327.266 2.991 20 10 EFCDRO C[C@@H]1CC[C@H](Oc2cccc3c2C(=O)c2c(O)cccc2C3=O)C[NH2+]1 ZINC001218392726 1315188841 /nfs/dbraw/zinc/18/88/41/1315188841.db2.gz LEZVFOPTUCNWSK-NEPJUHHUSA-N 1 0 337.375 2.687 20 10 EFCDRO C[C@@H]1CC[C@H](Oc2c(O)c(O)ccc2C(=O)c2ccccc2)C[NH2+]1 ZINC001218399404 1315189889 /nfs/dbraw/zinc/18/98/89/1315189889.db2.gz PZYBLYJNXHUPNJ-OCCSQVGLSA-N 1 0 327.380 2.848 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3C[NH2+]CCC34CC4)ccc(O)c21 ZINC001218402527 1315190290 /nfs/dbraw/zinc/19/02/90/1315190290.db2.gz CUUVFCFBKOGUSY-MRXNPFEDSA-N 1 0 349.386 2.689 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@H]3C[NH2+]CCC34CC4)ccc21 ZINC001218403272 1315190469 /nfs/dbraw/zinc/19/04/69/1315190469.db2.gz JFYBCMGKINHSMD-SFHVURJKSA-N 1 0 333.387 2.983 20 10 EFCDRO O=C1c2cccc(O[C@@H]3C[NH2+]CCC34CC4)c2C(=O)c2cccc(O)c21 ZINC001218405015 1315191337 /nfs/dbraw/zinc/19/13/37/1315191337.db2.gz MMYJVKHQMMMCEF-MRXNPFEDSA-N 1 0 349.386 2.689 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC001218471595 1315201611 /nfs/dbraw/zinc/20/16/11/1315201611.db2.gz HRAWOJVGSWSNQQ-XQAQDONZSA-N 1 0 349.386 2.544 20 10 EFCDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001218482372 1315203001 /nfs/dbraw/zinc/20/30/01/1315203001.db2.gz HRGXUOLQASLSKR-BZNIZROVSA-N 1 0 337.375 2.544 20 10 EFCDRO COc1cc(N2CC[NH2+]CC2)ccc1Cc1ccc(N(C)C)cc1 ZINC001250434142 1315211692 /nfs/dbraw/zinc/21/16/92/1315211692.db2.gz HICLSUBHWACLEY-UHFFFAOYSA-N 1 0 325.456 2.762 20 10 EFCDRO CC(C)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(O)c(O)c2)cc1 ZINC001250782417 1315263754 /nfs/dbraw/zinc/26/37/54/1315263754.db2.gz FZTHHMITUQCDKO-INIZCTEOSA-N 1 0 331.412 2.751 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)COc2ccc(F)cc2F)cc1 ZINC001250884756 1315287886 /nfs/dbraw/zinc/28/78/86/1315287886.db2.gz FNEBJYIQTHNPEK-INIZCTEOSA-N 1 0 336.382 2.560 20 10 EFCDRO Cc1ccc(O)c(C[NH+]2CC3(CN(Cc4nc5ccccc5[nH]4)C3)C2)c1 ZINC001278615818 1315297668 /nfs/dbraw/zinc/29/76/68/1315297668.db2.gz YARUVTZEMGDAGW-UHFFFAOYSA-N 1 0 348.450 2.895 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)c(O)c1 ZINC001276805909 1315322124 /nfs/dbraw/zinc/32/21/24/1315322124.db2.gz ALVCRHZRBGUZQM-OALUTQOASA-N 1 0 341.455 2.886 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1F ZINC001318411098 1328579773 /nfs/dbraw/zinc/57/97/73/1328579773.db2.gz RHZTYERUZWQXBK-RDJZCZTQSA-N 1 0 336.455 2.564 20 10 EFCDRO Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001251700519 1315367987 /nfs/dbraw/zinc/36/79/87/1315367987.db2.gz JHSJKGBBWQGMPH-QGZVFWFLSA-N 1 0 343.423 2.594 20 10 EFCDRO CC1(C)C[NH2+][C@](C)(C(=O)NCc2cc(Cl)c3cccnc3c2O)C1 ZINC001220212586 1315385790 /nfs/dbraw/zinc/38/57/90/1315385790.db2.gz PEEUNVFMBQGOOS-SFHVURJKSA-N 1 0 347.846 2.988 20 10 EFCDRO CC[C@H](C)[C@@H]([NH2+]C)C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212843 1315386004 /nfs/dbraw/zinc/38/60/04/1315386004.db2.gz YOVITBUCJDHXPM-IINYFYTJSA-N 1 0 335.835 2.844 20 10 EFCDRO CC[C@]1(C(=O)NCc2cc(Cl)c3cccnc3c2O)CCC[NH2+]C1 ZINC001220212879 1315386016 /nfs/dbraw/zinc/38/60/16/1315386016.db2.gz ZSIMPKRNTVKDHQ-SFHVURJKSA-N 1 0 347.846 2.990 20 10 EFCDRO C[C@H](O)C[NH+]1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001251964400 1315395998 /nfs/dbraw/zinc/39/59/98/1315395998.db2.gz JNYBCGIXHWLTMN-KRWDZBQOSA-N 1 0 326.440 2.768 20 10 EFCDRO Cc1ccc(S(=O)(=O)Nc2cccc(N3CC[NH+](C)CC3)c2)cc1 ZINC001252178729 1315420058 /nfs/dbraw/zinc/42/00/58/1315420058.db2.gz QOOXFRNLONXREE-UHFFFAOYSA-N 1 0 345.468 2.548 20 10 EFCDRO Cc1cc(C)c(CNC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C[NH2+]2)c(O)c1 ZINC001220826033 1315454514 /nfs/dbraw/zinc/45/45/14/1315454514.db2.gz YIHJZYLJDWXCNO-YPMHNXCESA-N 1 0 330.350 2.556 20 10 EFCDRO Oc1cc2ccccc2cc1C[NH2+]C[C@@H](O)COCc1ccco1 ZINC001252660485 1315483348 /nfs/dbraw/zinc/48/33/48/1315483348.db2.gz VFPNXBUHZIWVNX-QGZVFWFLSA-N 1 0 327.380 2.806 20 10 EFCDRO COc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC001252721537 1315493621 /nfs/dbraw/zinc/49/36/21/1315493621.db2.gz UXLWWNZLAJTOHR-GOSISDBHSA-N 1 0 344.455 2.633 20 10 EFCDRO COc1ccccc1OC[C@H](O)C[NH2+]Cc1c(C)cc(C)cc1O ZINC001252913065 1315530528 /nfs/dbraw/zinc/53/05/28/1315530528.db2.gz UZVUAZNUKYRSQC-OAHLLOKOSA-N 1 0 331.412 2.547 20 10 EFCDRO CCCC[C@@H](CC)COC[C@@H](O)C[NH2+]Cc1ccc(O)cc1O ZINC001253023534 1315555715 /nfs/dbraw/zinc/55/57/15/1315555715.db2.gz WMYMIHLDHQFIMG-PBHICJAKSA-N 1 0 325.449 2.781 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)CCOCc2ccccc2)cc1 ZINC001253298368 1315591844 /nfs/dbraw/zinc/59/18/44/1315591844.db2.gz QHBLLGHRSRAEOC-HXUWFJFHSA-N 1 0 328.456 2.810 20 10 EFCDRO Cc1cc(C)c(C[NH2+]C[C@](C)(O)C(=O)OCc2ccccc2)c(O)c1 ZINC001253660487 1315624862 /nfs/dbraw/zinc/62/48/62/1315624862.db2.gz GYKCRMOZKKVVBT-FQEVSTJZSA-N 1 0 343.423 2.593 20 10 EFCDRO CC[N@@H+](Cc1ccccc1O)C[C@@H](O)COc1cccc(OC)c1 ZINC001253959598 1315656435 /nfs/dbraw/zinc/65/64/35/1315656435.db2.gz ZOBRWAZGKYIYQM-MRXNPFEDSA-N 1 0 331.412 2.663 20 10 EFCDRO CC[N@@H+](Cc1ccccc1O)C[C@H](O)COc1cccc(OC)c1 ZINC001253959597 1315656554 /nfs/dbraw/zinc/65/65/54/1315656554.db2.gz ZOBRWAZGKYIYQM-INIZCTEOSA-N 1 0 331.412 2.663 20 10 EFCDRO CC(C)OC1CC[NH+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001253997204 1315663656 /nfs/dbraw/zinc/66/36/56/1315663656.db2.gz KTANPISAAKWSOL-UHFFFAOYSA-N 1 0 349.494 2.967 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3c(C)c(C)n[nH]c3=O)CC2)cc1 ZINC001254109373 1315673187 /nfs/dbraw/zinc/67/31/87/1315673187.db2.gz GDAKRLAMKTTYSR-UHFFFAOYSA-N 1 0 342.443 2.566 20 10 EFCDRO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C(=O)C2)c1O ZINC001254238538 1315686149 /nfs/dbraw/zinc/68/61/49/1315686149.db2.gz YLBRYKGEJGPNJT-AWEZNQCLSA-N 1 0 334.416 2.716 20 10 EFCDRO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039311410 1315713663 /nfs/dbraw/zinc/71/36/63/1315713663.db2.gz GSYCVNXEUOKMPU-MQVJKMGUSA-N 1 0 343.431 2.984 20 10 EFCDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+]Cc3cccc(O)c3O)C[C@@H]2C1 ZINC001254896291 1315756585 /nfs/dbraw/zinc/75/65/85/1315756585.db2.gz SNZVAWIOJNLTHU-QDMKHBRRSA-N 1 0 348.443 2.833 20 10 EFCDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001255186149 1315788277 /nfs/dbraw/zinc/78/82/77/1315788277.db2.gz SHNZAZCMQNOBTN-OSYLJGHBSA-N 1 0 330.428 2.863 20 10 EFCDRO Oc1ccccc1CN1CCC([NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC001255619087 1315848889 /nfs/dbraw/zinc/84/88/89/1315848889.db2.gz BZERSUWGHUHLAW-UHFFFAOYSA-N 1 0 346.471 2.632 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCC2(CC1)OCCO2 ZINC001255626961 1315849776 /nfs/dbraw/zinc/84/97/76/1315849776.db2.gz JRJCIIJFSWWEOR-UHFFFAOYSA-N 1 0 346.471 2.641 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C(C)C)CCO2)cc1C ZINC001051854551 1315889113 /nfs/dbraw/zinc/88/91/13/1315889113.db2.gz CGNUFWPGBLNMGN-FUHWJXTLSA-N 1 0 348.487 2.613 20 10 EFCDRO C[C@@H](Cc1ccccn1)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001256404023 1315935646 /nfs/dbraw/zinc/93/56/46/1315935646.db2.gz DDEVXWCWXVTORD-INIZCTEOSA-N 1 0 325.456 2.972 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@H](C)Cc3ccccn3)CC2)c(OC)c1 ZINC001256423840 1315939380 /nfs/dbraw/zinc/93/93/80/1315939380.db2.gz GMARLEHZDPRSMV-MRXNPFEDSA-N 1 0 341.455 2.852 20 10 EFCDRO Cc1cc(C[N@@H+]2CCCN(C(N)=O)CC2)ccc1N1CCCCC1 ZINC000827649965 1316009849 /nfs/dbraw/zinc/00/98/49/1316009849.db2.gz PLWFMTBMYPFLNY-UHFFFAOYSA-N 1 0 330.476 2.572 20 10 EFCDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC001257041059 1316023931 /nfs/dbraw/zinc/02/39/31/1316023931.db2.gz QXKVROOSVSTQGQ-GXFFZTMASA-N 1 0 342.233 2.976 20 10 EFCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3O)CC2)C1 ZINC001257042155 1316024379 /nfs/dbraw/zinc/02/43/79/1316024379.db2.gz ZDTRQGJMKKWSQZ-CRAIPNDOSA-N 1 0 346.471 2.678 20 10 EFCDRO COc1ccc(N2CC[NH+](C3C[C@H](C)O[C@@H](C)C3)CC2)c(OC)c1 ZINC001257106326 1316034998 /nfs/dbraw/zinc/03/49/98/1316034998.db2.gz OUNDNOAVLZZCTI-GJZGRUSLSA-N 1 0 334.460 2.782 20 10 EFCDRO CCOC(=O)c1ccc(C[C@@H](C)[NH2+]Cc2cccc(O)c2O)cc1 ZINC001257150849 1316039848 /nfs/dbraw/zinc/03/98/48/1316039848.db2.gz HETAJVVUDOCVQS-CYBMUJFWSA-N 1 0 329.396 2.995 20 10 EFCDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001318501583 1328621474 /nfs/dbraw/zinc/62/14/74/1328621474.db2.gz BQWIZOASNRSQEO-MOPGFXCFSA-N 1 0 344.503 2.959 20 10 EFCDRO CCOC(=O)CCC[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001258116049 1316119683 /nfs/dbraw/zinc/11/96/83/1316119683.db2.gz BALMQKYTXKDNJK-MRXNPFEDSA-N 1 0 334.460 2.939 20 10 EFCDRO CCOC(=O)CC[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC001258480933 1316154402 /nfs/dbraw/zinc/15/44/02/1316154402.db2.gz AVTCBTVVPNODSV-SNVBAGLBSA-N 1 0 330.222 2.976 20 10 EFCDRO C[C@@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[N@@H+]1CCCF ZINC001072102268 1316358083 /nfs/dbraw/zinc/35/80/83/1316358083.db2.gz NXGTWICFYUMUOM-IUODEOHRSA-N 1 0 349.410 2.791 20 10 EFCDRO CN1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)CC(C)(C)C3)cc2F)CC1 ZINC001261256298 1316398874 /nfs/dbraw/zinc/39/88/74/1316398874.db2.gz BDOZMPJMXUUOIX-QGZVFWFLSA-N 1 0 349.494 2.560 20 10 EFCDRO CCOC(=O)COc1ccc(C[NH2+]CCc2ccc(N)cc2)cc1 ZINC001261370301 1316407404 /nfs/dbraw/zinc/40/74/04/1316407404.db2.gz FJYDJBMQHMJMTQ-UHFFFAOYSA-N 1 0 328.412 2.543 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1F ZINC001261374374 1316408026 /nfs/dbraw/zinc/40/80/26/1316408026.db2.gz HVUZEPZJWFFMHB-UHFFFAOYSA-N 1 0 348.466 2.567 20 10 EFCDRO C[NH2+]C[C@H](C)CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001261376404 1316408038 /nfs/dbraw/zinc/40/80/38/1316408038.db2.gz OCQDNNVOPBXYEN-INIZCTEOSA-N 1 0 332.492 2.674 20 10 EFCDRO C[NH2+][C@@H](C)CCNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC001261491978 1316415278 /nfs/dbraw/zinc/41/52/78/1316415278.db2.gz MQQLVOFJUFOVPU-ZDUSSCGKSA-N 1 0 329.444 2.831 20 10 EFCDRO CC(C)n1cc(NCc2ccc(N3CCN(C)CC3)c(F)c2)cn1 ZINC001261553087 1316418632 /nfs/dbraw/zinc/41/86/32/1316418632.db2.gz OMCMHZMWRAEYHD-UHFFFAOYSA-N 1 0 331.439 2.967 20 10 EFCDRO CN(C)c1cc(F)c(C[NH2+]CCc2cn3c(n2)SCC3)cc1F ZINC001261788307 1316430597 /nfs/dbraw/zinc/43/05/97/1316430597.db2.gz RFVKMOLYYPKWPH-UHFFFAOYSA-N 1 0 338.427 2.665 20 10 EFCDRO Nc1ccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)cc1 ZINC001262487662 1316469331 /nfs/dbraw/zinc/46/93/31/1316469331.db2.gz ZVDLTYKCZVXAIL-UHFFFAOYSA-N 1 0 325.441 2.596 20 10 EFCDRO Cc1cc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)[nH]n1 ZINC001318620346 1328654213 /nfs/dbraw/zinc/65/42/13/1328654213.db2.gz AEGJBCNCOFZOPA-KBPBESRZSA-N 1 0 332.423 2.761 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+]CCc3ccccc3)cc2F)CC1 ZINC001318629642 1328656807 /nfs/dbraw/zinc/65/68/07/1328656807.db2.gz IMVOAIIOFDIPIX-UHFFFAOYSA-N 1 0 327.447 2.910 20 10 EFCDRO O=C(Nc1cccc2nccn21)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccccc1O ZINC001279969326 1317426006 /nfs/dbraw/zinc/42/60/06/1317426006.db2.gz XKMLWWPANLNKRL-MGPUTAFESA-N 1 0 348.406 2.643 20 10 EFCDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NCCCSc1nccs1 ZINC001319178209 1328797994 /nfs/dbraw/zinc/79/79/94/1328797994.db2.gz SCOGOWPDJVQRLQ-OLZOCXBDSA-N 1 0 342.534 2.797 20 10 EFCDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)no1 ZINC001319573085 1328919586 /nfs/dbraw/zinc/91/95/86/1328919586.db2.gz RBEPRFVIFLKNOJ-UHFFFAOYSA-N 1 0 343.427 2.700 20 10 EFCDRO COC(=O)CC[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCCO1 ZINC001319707244 1328956424 /nfs/dbraw/zinc/95/64/24/1328956424.db2.gz NOBBHKLBVHVZFD-IBGZPJMESA-N 1 0 346.471 2.831 20 10 EFCDRO COC1CCC([N@H+](C)Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001319713202 1328961082 /nfs/dbraw/zinc/96/10/82/1328961082.db2.gz UFEFAZCOFXMFCH-UHFFFAOYSA-N 1 0 349.494 2.967 20 10 EFCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1(C)C ZINC001319850026 1329013650 /nfs/dbraw/zinc/01/36/50/1329013650.db2.gz BDUYODLPLNIVEA-NIKGAXFTSA-N 1 0 349.494 2.727 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CCO)C2CC2)ccc1N1CCCCC1 ZINC000741258535 1322367949 /nfs/dbraw/zinc/36/79/49/1322367949.db2.gz NQRYDMLCNKKETR-MRXNPFEDSA-N 1 0 333.432 2.836 20 10 EFCDRO CN1CCN(c2ccc(C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)cc2F)CC1 ZINC001319947784 1329042314 /nfs/dbraw/zinc/04/23/14/1329042314.db2.gz DMXSKKFSNYPLJZ-XLIONFOSSA-N 1 0 347.478 2.578 20 10 EFCDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2c(O)cccc2Cl)cn1 ZINC001319971993 1329046714 /nfs/dbraw/zinc/04/67/14/1329046714.db2.gz CPPVXKCPKUDDTP-SUMWQHHRSA-N 1 0 335.835 2.867 20 10 EFCDRO C[C@@H]([NH2+]CCN1CCC(CO)CC1)c1cc2c(cc1O)CCCC2 ZINC001320118351 1329088476 /nfs/dbraw/zinc/08/84/76/1329088476.db2.gz JBBUCCFWQOANNT-OAHLLOKOSA-N 1 0 332.488 2.626 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3cnn(C)c3)C2)c2c1c(F)ccc2O ZINC001320125389 1329090574 /nfs/dbraw/zinc/09/05/74/1329090574.db2.gz RTBMJSBFTIPLGR-XUJVJEKNSA-N 1 0 330.407 2.682 20 10 EFCDRO C[C@@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)C(=O)NCC(F)(F)F ZINC001320131472 1329092749 /nfs/dbraw/zinc/09/27/49/1329092749.db2.gz SCRIKDSLKICVBP-GHMZBOCLSA-N 1 0 344.377 2.989 20 10 EFCDRO C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C)c1ccc(N(C)C)cc1 ZINC001320381066 1329120092 /nfs/dbraw/zinc/12/00/92/1329120092.db2.gz UPJNIZDBEJMCAI-BMGDILEWSA-N 1 0 332.492 2.986 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)N3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000841792983 1324057893 /nfs/dbraw/zinc/05/78/93/1324057893.db2.gz HXXXJBKSTCZDDQ-KRWDZBQOSA-N 1 0 330.476 2.556 20 10 EFCDRO CN1CCN(c2ccc(C[N@H+](C)CCc3nccs3)cc2F)CC1 ZINC001320508065 1329148990 /nfs/dbraw/zinc/14/89/90/1329148990.db2.gz WZCYDECWCJDINL-UHFFFAOYSA-N 1 0 348.491 2.709 20 10 EFCDRO CC(C)CO[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001320522099 1329151760 /nfs/dbraw/zinc/15/17/60/1329151760.db2.gz FPGQOOIXULWDLR-SFHVURJKSA-N 1 0 349.494 2.824 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C(\C)Cl)cc2F)CC1 ZINC000900612142 1324705965 /nfs/dbraw/zinc/70/59/65/1324705965.db2.gz WEXJNMWGMHLDJM-JLHYYAGUSA-N 1 0 339.842 2.726 20 10 EFCDRO COC(=O)N1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC001318152357 1328508246 /nfs/dbraw/zinc/50/82/46/1328508246.db2.gz YWNSWECWXHWEDX-UHFFFAOYSA-N 1 0 336.432 2.669 20 10 EFCDRO C[C@@H](CO)[N@@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)CC1CCC1 ZINC001323764871 1329569131 /nfs/dbraw/zinc/56/91/31/1329569131.db2.gz WXHRAIDHZDTFNP-INIZCTEOSA-N 1 0 349.494 2.560 20 10 EFCDRO CCC1([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCOCC1 ZINC001324526322 1329636202 /nfs/dbraw/zinc/63/62/02/1329636202.db2.gz PHTYVACALAFVRR-UHFFFAOYSA-N 1 0 335.467 2.626 20 10 EFCDRO Cc1ncsc1CC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324663901 1329649333 /nfs/dbraw/zinc/64/93/33/1329649333.db2.gz WYMFDKIAOIAAFN-UHFFFAOYSA-N 1 0 348.491 2.675 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+]CC(C)(C)OCC3CC3)cc2F)CC1 ZINC001325289569 1329678512 /nfs/dbraw/zinc/67/85/12/1329678512.db2.gz JGSGXWPTDNWWDO-UHFFFAOYSA-N 1 0 349.494 2.872 20 10 EFCDRO CN1CCN(c2ccc(C[N@H+](C)Cc3ccc(O)cc3)cc2F)CC1 ZINC001325733405 1329709409 /nfs/dbraw/zinc/70/94/09/1329709409.db2.gz JPMVCKCSWWIJSO-UHFFFAOYSA-N 1 0 343.446 2.915 20 10 EFCDRO C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[N@@H+]1CC(C)(C)O ZINC001326060451 1329731682 /nfs/dbraw/zinc/73/16/82/1329731682.db2.gz JFTZNHFGGXGZPY-KRWDZBQOSA-N 1 0 331.504 2.564 20 10 EFCDRO C[NH2+][C@H](C)CCNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001326132076 1329734176 /nfs/dbraw/zinc/73/41/76/1329734176.db2.gz GJIVNOZPCHVCSS-CQSZACIVSA-N 1 0 331.416 2.695 20 10 EFCDRO CCOC1CC[NH+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001326431543 1329756082 /nfs/dbraw/zinc/75/60/82/1329756082.db2.gz TVLVNALXBXXPAS-UHFFFAOYSA-N 1 0 335.467 2.578 20 10 EFCDRO CC1CCC(O)(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001327860685 1330523035 /nfs/dbraw/zinc/52/30/35/1330523035.db2.gz XCIZCDGIXVAPLJ-UHFFFAOYSA-N 1 0 349.494 2.608 20 10 EFCDRO CC(C)CNC(=O)CCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001327863118 1330523709 /nfs/dbraw/zinc/52/37/09/1330523709.db2.gz DKQSYGDNNFPPHK-UHFFFAOYSA-N 1 0 347.503 2.507 20 10 EFCDRO CO[C@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001328654822 1330612482 /nfs/dbraw/zinc/61/24/82/1330612482.db2.gz FIGWGSJMEDSOBR-KRWDZBQOSA-N 1 0 335.467 2.578 20 10 EFCDRO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001328757926 1330627217 /nfs/dbraw/zinc/62/72/17/1330627217.db2.gz BPLBCKUFUNDJKY-CYBMUJFWSA-N 1 0 337.221 2.583 20 10 EFCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001329066848 1330662445 /nfs/dbraw/zinc/66/24/45/1330662445.db2.gz LGXHNKQWSUOBLT-UHFFFAOYSA-N 1 0 343.446 2.881 20 10 EFCDRO CCC[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)OCC ZINC001331519436 1330847143 /nfs/dbraw/zinc/84/71/43/1330847143.db2.gz JPOPLGOHKDXGEG-QGZVFWFLSA-N 1 0 337.483 2.872 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1O ZINC001331546676 1330851521 /nfs/dbraw/zinc/85/15/21/1330851521.db2.gz FAKXODYKNHSPDH-FOLVSLTJSA-N 1 0 348.443 2.664 20 10 EFCDRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3cccc(OC)c3O)C2)cc1 ZINC001331581336 1330856255 /nfs/dbraw/zinc/85/62/55/1330856255.db2.gz RXAMMKUIPDASEM-INIZCTEOSA-N 1 0 342.395 2.692 20 10 EFCDRO COc1cc(OC)cc([C@H](O)C[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC001332705584 1331005524 /nfs/dbraw/zinc/00/55/24/1331005524.db2.gz QQTRASVVUCJUTI-QGZVFWFLSA-N 1 0 347.411 2.550 20 10 EFCDRO COc1ccc(C[NH2+][C@H](CN(C)C)c2ccc(F)cc2)c(O)c1OC ZINC001333824348 1331220121 /nfs/dbraw/zinc/22/01/21/1331220121.db2.gz XETCANIHPRSIJI-MRXNPFEDSA-N 1 0 348.418 2.941 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC4(C3)CCCC4)cc2)CC1 ZINC001334092589 1331247632 /nfs/dbraw/zinc/24/76/32/1331247632.db2.gz LIPXBRZZYFMIIS-UHFFFAOYSA-N 1 0 342.487 2.524 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CC=CCC2)[NH+](C)C)cc1 ZINC001334186907 1331262870 /nfs/dbraw/zinc/26/28/70/1331262870.db2.gz KBYKBNMBXFZAPM-FUHWJXTLSA-N 1 0 330.476 2.763 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CC=CCC2)[NH+](C)C)cc1 ZINC001334186914 1331262884 /nfs/dbraw/zinc/26/28/84/1331262884.db2.gz KBYKBNMBXFZAPM-WMZOPIPTSA-N 1 0 330.476 2.763 20 10 EFCDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2c(O)cccc2Br)C1 ZINC001334901311 1331328548 /nfs/dbraw/zinc/32/85/48/1331328548.db2.gz CELOGHPMYDHXSA-LBPRGKRZSA-N 1 0 341.249 2.503 20 10 EFCDRO C[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H]1CCC[NH3+] ZINC001335368893 1331340052 /nfs/dbraw/zinc/34/00/52/1331340052.db2.gz SQWCFKBGIPFVRN-CRAIPNDOSA-N 1 0 332.492 2.802 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)NCCCC(F)F)[NH+](C)C)cc1 ZINC001335561961 1331374119 /nfs/dbraw/zinc/37/41/19/1331374119.db2.gz XXVNMPNFNSBTMT-HNNXBMFYSA-N 1 0 342.434 2.700 20 10 EFCDRO Nc1ccc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001335911844 1331415994 /nfs/dbraw/zinc/41/59/94/1331415994.db2.gz QYWRXTLZJZNADQ-UHFFFAOYSA-N 1 0 338.455 2.733 20 10 EFCDRO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(N)cc1 ZINC001336116925 1331436913 /nfs/dbraw/zinc/43/69/13/1331436913.db2.gz HUQKSOJRIOIUPN-UHFFFAOYSA-N 1 0 341.411 2.501 20 10 EFCDRO Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2C)c(C)n1-c1ccccn1 ZINC001336204004 1331446221 /nfs/dbraw/zinc/44/62/21/1331446221.db2.gz RRIOEOBCNYZZEQ-MRXNPFEDSA-N 1 0 326.444 2.703 20 10 EFCDRO COc1ccc(C[NH2+][C@H](CO)[C@@H](C)c2ccccc2)c(O)c1OC ZINC001336720713 1331495661 /nfs/dbraw/zinc/49/56/61/1331495661.db2.gz ANOCQNJTYGTJIU-XJKSGUPXSA-N 1 0 331.412 2.664 20 10 EFCDRO CC(C)[C@@H](CNC(=O)NCc1ccc(N)cc1)[NH+]1CCC(C)CC1 ZINC001336727307 1331496566 /nfs/dbraw/zinc/49/65/66/1331496566.db2.gz MSUOCCJSVOTTEM-GOSISDBHSA-N 1 0 332.492 2.825 20 10 EFCDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(N)cc1 ZINC001337019257 1331527875 /nfs/dbraw/zinc/52/78/75/1331527875.db2.gz QFOSQZLYFAJUKO-UHFFFAOYSA-N 1 0 344.434 2.681 20 10 EFCDRO CC[C@H]([NH2+][C@H](C)C(=O)NCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC001337294855 1331558406 /nfs/dbraw/zinc/55/84/06/1331558406.db2.gz TXDIQFQPGYSVIH-RISCZKNCSA-N 1 0 331.382 2.860 20 10 EFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)cc1 ZINC001337294683 1331558606 /nfs/dbraw/zinc/55/86/06/1331558606.db2.gz ROJIBSUGJAFIDH-VXGBXAGGSA-N 1 0 331.382 2.860 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)CN(C)Cc2ccccc2)c1 ZINC001338562005 1331716456 /nfs/dbraw/zinc/71/64/56/1331716456.db2.gz PBXLWFMAQLODGG-CQSZACIVSA-N 1 0 328.412 2.710 20 10 EFCDRO C[C@H](NC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(N(C)C)cc1 ZINC001338595411 1331718797 /nfs/dbraw/zinc/71/87/97/1331718797.db2.gz LVUKYGVKKBRKCN-MJXNMMHHSA-N 1 0 338.455 2.738 20 10 EFCDRO CCOc1ccc(N2CC[NH+](CCO[C@@H]3CCCCO3)CC2)cc1 ZINC001339172330 1331808501 /nfs/dbraw/zinc/80/85/01/1331808501.db2.gz BUOMPJLMMUQOEO-LJQANCHMSA-N 1 0 334.460 2.751 20 10 EFCDRO CC(C)(C)[C@@H]([NH3+])CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001340183816 1332150461 /nfs/dbraw/zinc/15/04/61/1332150461.db2.gz NUGWNBHVJIVKNM-RDJZCZTQSA-N 1 0 334.460 2.663 20 10 EFCDRO CCOc1ccc(N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)cc1 ZINC001340945410 1332222389 /nfs/dbraw/zinc/22/23/89/1332222389.db2.gz MZDIMJMSYIOFJU-UHFFFAOYSA-N 1 0 339.439 2.506 20 10 EFCDRO CCC[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC001341524445 1332265711 /nfs/dbraw/zinc/26/57/11/1332265711.db2.gz SPHXBXQVHMAEEM-GOSISDBHSA-N 1 0 336.501 2.686 20 10 EFCDRO CC[C@@H](C)C[C@H]([NH3+])C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001341571219 1332268652 /nfs/dbraw/zinc/26/86/52/1332268652.db2.gz MPXGRLNOLMFICU-PBHICJAKSA-N 1 0 335.517 2.620 20 10 EFCDRO C[C@@H]1[NH2+]CCn2c(C(=O)NCc3c(O)ccc4c3CCCC4)ccc21 ZINC001343556634 1332357158 /nfs/dbraw/zinc/35/71/58/1332357158.db2.gz DDTIALPMGMHQRP-ZDUSSCGKSA-N 1 0 339.439 2.667 20 10 EFCDRO C[C@H]1[NH2+]CCn2c(C(=O)NCc3c(O)ccc4c3CCCC4)ccc21 ZINC001343556604 1332357267 /nfs/dbraw/zinc/35/72/67/1332357267.db2.gz DDTIALPMGMHQRP-CYBMUJFWSA-N 1 0 339.439 2.667 20 10 EFCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)ccn1 ZINC001344073853 1332401089 /nfs/dbraw/zinc/40/10/89/1332401089.db2.gz CHYNRRYCSFIPDW-UHFFFAOYSA-N 1 0 328.435 2.571 20 10 EFCDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001344569669 1332463933 /nfs/dbraw/zinc/46/39/33/1332463933.db2.gz RASJRUDGMNSVAT-CALCHBBNSA-N 1 0 335.467 2.623 20 10 EFCDRO COc1cc(CN2CC[C@@H]([NH2+]Cc3ccc(N)cc3)C2)cc(OC)c1 ZINC001345159854 1332514328 /nfs/dbraw/zinc/51/43/28/1332514328.db2.gz ONNKDPQEGXKUGS-GOSISDBHSA-N 1 0 341.455 2.650 20 10 EFCDRO Cc1n[nH]c(=O)c(C[NH2+]Cc2ccc(Br)cc2O)c1C ZINC001347392937 1332740172 /nfs/dbraw/zinc/74/01/72/1332740172.db2.gz XNYZQMSWNZLYDL-UHFFFAOYSA-N 1 0 338.205 2.557 20 10 EFCDRO Cc1cc(C)c(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)cn1 ZINC001347793507 1332773828 /nfs/dbraw/zinc/77/38/28/1332773828.db2.gz LCZQGULEOYWKSI-UHFFFAOYSA-N 1 0 342.462 2.879 20 10 EFCDRO Nc1nc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc[nH+]1 ZINC001347970281 1332789893 /nfs/dbraw/zinc/78/98/93/1332789893.db2.gz XKDXZJCURALAKW-UHFFFAOYSA-N 1 0 335.358 2.741 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)[nH]2)[NH+](C)C)cc1 ZINC001348013678 1332793441 /nfs/dbraw/zinc/79/34/41/1332793441.db2.gz ZNHSPTTZISHNRX-HNNXBMFYSA-N 1 0 334.851 2.767 20 10 EFCDRO COc1ccc(CN2CCC[N@@H+](C3CCCC3)CC2)c(O)c1OC ZINC001351947767 1333329613 /nfs/dbraw/zinc/32/96/13/1333329613.db2.gz HGGWFGZANKWTKC-UHFFFAOYSA-N 1 0 334.460 2.860 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000847276600 1333471420 /nfs/dbraw/zinc/47/14/20/1333471420.db2.gz LQCRAGZSZSBOGU-ROUUACIJSA-N 1 0 330.476 2.569 20 10 EFCDRO CCCCN(Cc1ccccc1O)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000848046320 1334206048 /nfs/dbraw/zinc/20/60/48/1334206048.db2.gz SERGHQUZJMAAOI-UHFFFAOYSA-N 1 0 344.459 2.593 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000848427831 1334717622 /nfs/dbraw/zinc/71/76/22/1334717622.db2.gz QSEOYVYZRQPLRP-UYAOXDASSA-N 1 0 329.488 2.879 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000848427829 1334717676 /nfs/dbraw/zinc/71/76/76/1334717676.db2.gz QSEOYVYZRQPLRP-QUCCMNQESA-N 1 0 329.488 2.879 20 10 EFCDRO CC(=O)OC[C@H](C)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001355255123 1334725514 /nfs/dbraw/zinc/72/55/14/1334725514.db2.gz UNXINNJODYUFEL-LRDDRELGSA-N 1 0 340.851 2.551 20 10 EFCDRO CC(=O)OC[C@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001355263717 1334726450 /nfs/dbraw/zinc/72/64/50/1334726450.db2.gz OMFSSBRJGHNHTG-JSGCOSHPSA-N 1 0 342.386 2.798 20 10 EFCDRO Cc1ncncc1[C@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000848553852 1334791884 /nfs/dbraw/zinc/79/18/84/1334791884.db2.gz YTVWPEMMZAHZOW-LBPRGKRZSA-N 1 0 348.397 2.751 20 10 EFCDRO CCOc1ccc(C[NH2+][C@H]2CCc3ccccc3NC2=O)c(O)c1 ZINC000848561229 1334795544 /nfs/dbraw/zinc/79/55/44/1334795544.db2.gz RTNCMJAILMTTLI-KRWDZBQOSA-N 1 0 326.396 2.834 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cc2c(cc1O)CCCC2 ZINC000848564839 1334797405 /nfs/dbraw/zinc/79/74/05/1334797405.db2.gz PZWCYULYVXXYJL-WFASDCNBSA-N 1 0 326.444 2.608 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cc2c(cc1O)CCCC2 ZINC000848564838 1334797600 /nfs/dbraw/zinc/79/76/00/1334797600.db2.gz PZWCYULYVXXYJL-SWLSCSKDSA-N 1 0 326.444 2.608 20 10 EFCDRO CCC(C)(C)[NH+]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000848760827 1334880668 /nfs/dbraw/zinc/88/06/68/1334880668.db2.gz JTHPBMIRPJJLLR-UHFFFAOYSA-N 1 0 337.420 2.923 20 10 EFCDRO CCc1cccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1O ZINC000848884169 1334960017 /nfs/dbraw/zinc/96/00/17/1334960017.db2.gz ZFPJIULSYWXHGO-HDICACEKSA-N 1 0 345.531 2.945 20 10 EFCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1O ZINC000848889528 1334963881 /nfs/dbraw/zinc/96/38/81/1334963881.db2.gz KPVWDXJYHQDZAB-QZTJIDSGSA-N 1 0 329.444 2.776 20 10 EFCDRO CCc1cccc(C[N@H+](C)CCN2C(=O)c3ccccc3C2=O)c1O ZINC000848889425 1334963927 /nfs/dbraw/zinc/96/39/27/1334963927.db2.gz KORFSNKTIIAYMA-UHFFFAOYSA-N 1 0 338.407 2.683 20 10 EFCDRO CCc1cccc(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1O ZINC000848890198 1334964575 /nfs/dbraw/zinc/96/45/75/1334964575.db2.gz PXIOBNNKHVABLI-WMZOPIPTSA-N 1 0 329.444 2.634 20 10 EFCDRO CCc1cccc(C[NH2+]CCCS(=O)(=O)c2ccccc2)c1O ZINC000848893812 1334966125 /nfs/dbraw/zinc/96/61/25/1334966125.db2.gz CUVDINAVKOFUGP-UHFFFAOYSA-N 1 0 333.453 2.908 20 10 EFCDRO CCc1cccc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)c1O ZINC000848902512 1334974159 /nfs/dbraw/zinc/97/41/59/1334974159.db2.gz FCEPOZULBBXFJQ-QGZVFWFLSA-N 1 0 333.453 2.830 20 10 EFCDRO CCc1cccc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)c1O ZINC000848912733 1334980983 /nfs/dbraw/zinc/98/09/83/1334980983.db2.gz JUNWGGVQTJPCEL-OAHLLOKOSA-N 1 0 328.387 2.989 20 10 EFCDRO CCc1cccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1O ZINC000848913880 1334982701 /nfs/dbraw/zinc/98/27/01/1334982701.db2.gz ANTDGQDFWWJPFZ-UHFFFAOYSA-N 1 0 342.399 2.580 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)cc1F ZINC000848918585 1334985410 /nfs/dbraw/zinc/98/54/10/1334985410.db2.gz DYEDMJJRXAEVHY-KRWDZBQOSA-N 1 0 333.451 2.628 20 10 EFCDRO CCC(C)(C)[NH+]1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000848925472 1334991009 /nfs/dbraw/zinc/99/10/09/1334991009.db2.gz WGIXOPJGESAYPL-UHFFFAOYSA-N 1 0 331.504 2.829 20 10 EFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCC2([NH3+])CC2)cc1 ZINC001357680995 1335324630 /nfs/dbraw/zinc/32/46/30/1335324630.db2.gz PCNRHAOXOVCDLV-UHFFFAOYSA-N 1 0 342.443 2.549 20 10 EFCDRO C[C@H]1CN(c2ccc(CNC(=[NH2+])NC3CCC3)cc2F)C[C@H](C)O1 ZINC000849111500 1335553822 /nfs/dbraw/zinc/55/38/22/1335553822.db2.gz QHAIKDXERNJLDK-STQMWFEESA-N 1 0 334.439 2.606 20 10 EFCDRO CCC/C=C/C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000849192544 1335566753 /nfs/dbraw/zinc/56/67/53/1335566753.db2.gz YLRSWKXMAWYYLS-FNORWQNLSA-N 1 0 345.487 2.680 20 10 EFCDRO CCCCC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001713152049 1418340579 /nfs/dbraw/zinc/34/05/79/1418340579.db2.gz VDPMZYDKAOIMFN-HNNXBMFYSA-N 1 0 331.420 2.843 20 10 EFCDRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160177898 712909767 /nfs/dbraw/zinc/90/97/67/712909767.db2.gz NWYNHQXPIJGYGG-GOSISDBHSA-N 1 0 328.456 2.858 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](OC)C3CCC3)C2)cc1C ZINC000969491883 713145901 /nfs/dbraw/zinc/14/59/01/713145901.db2.gz WEKJQLITEMYDQZ-MJGOQNOKSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cocc3C)C2)cc1C ZINC000969605039 713184232 /nfs/dbraw/zinc/18/42/32/713184232.db2.gz BCPCVJRPTODSBU-MRXNPFEDSA-N 1 0 328.412 2.909 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C)[C@H]3CCCO3)C2)cc1C ZINC001020566825 713207816 /nfs/dbraw/zinc/20/78/16/713207816.db2.gz UISKWXLQXIWHPC-KLICCBINSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)(C)C(F)F)C2)cc1C ZINC000969883219 713296625 /nfs/dbraw/zinc/29/66/25/713296625.db2.gz PJNYKTWMUOBISE-CQSZACIVSA-N 1 0 340.414 2.985 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCO[C@H](C)C3)C2)cc1C ZINC001020831275 713412588 /nfs/dbraw/zinc/41/25/88/713412588.db2.gz LXDDUBCPNIYAOH-BZZMCLGOSA-N 1 0 346.471 2.556 20 10 EFCDRO CC[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cc(Cl)ccc1O ZINC000806174338 713440549 /nfs/dbraw/zinc/44/05/49/713440549.db2.gz VQNROCZNVOBYTR-FZMZJTMJSA-N 1 0 331.865 2.911 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc(Cl)no3)C2)cc1C ZINC001020960762 713455500 /nfs/dbraw/zinc/45/55/00/713455500.db2.gz VKZRRACZVNUVOL-JOCQHMNTSA-N 1 0 349.818 2.696 20 10 EFCDRO COc1cccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1 ZINC000255059241 713545529 /nfs/dbraw/zinc/54/55/29/713545529.db2.gz IGDRRCQUWPKBLD-RVDMUPIBSA-N 1 0 348.493 2.991 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@H]3CCCOC3)C2)cc1C ZINC001021061055 713547126 /nfs/dbraw/zinc/54/71/26/713547126.db2.gz FBOFBIAIZQMVTF-KZNAEPCWSA-N 1 0 346.471 2.557 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@]3(C)CCCOC3)C2)cc1C ZINC000970358119 713652345 /nfs/dbraw/zinc/65/23/45/713652345.db2.gz XIWQZHVBVASJMO-XLIONFOSSA-N 1 0 346.471 2.511 20 10 EFCDRO CN(C)[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000078371902 713837553 /nfs/dbraw/zinc/83/75/53/713837553.db2.gz MLXOEOKSGWRTOH-SFHVURJKSA-N 1 0 329.444 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[C@H]3CCCOC3)C2)cc1C ZINC000970735636 713943225 /nfs/dbraw/zinc/94/32/25/713943225.db2.gz AKAQLYJPKHFYNA-QZTJIDSGSA-N 1 0 346.471 2.511 20 10 EFCDRO COC(=O)CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC(C)C ZINC000091922731 714052938 /nfs/dbraw/zinc/05/29/38/714052938.db2.gz WLDNAVBPWYSMNY-UHFFFAOYSA-N 1 0 334.460 2.544 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCSC2)[NH+](C)C)cc1 ZINC000891246270 714132340 /nfs/dbraw/zinc/13/23/40/714132340.db2.gz BQMFPIOMUHYGMC-NVXWUHKLSA-N 1 0 335.517 2.615 20 10 EFCDRO Cc1nsc(C)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246278 714132791 /nfs/dbraw/zinc/13/27/91/714132791.db2.gz BUHMDSXWUSVFEU-MRXNPFEDSA-N 1 0 346.500 2.859 20 10 EFCDRO CCc1cccnc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246382 714133516 /nfs/dbraw/zinc/13/35/16/714133516.db2.gz BWSQYSCYBSLMNF-SFHVURJKSA-N 1 0 340.471 2.743 20 10 EFCDRO CC(=O)CC(C)(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246369 714133572 /nfs/dbraw/zinc/13/35/72/714133572.db2.gz BPVUKUZPKPUKQD-GOSISDBHSA-N 1 0 347.503 2.867 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CC[C@H]3C[C@H]32)[NH+](C)C)cc1 ZINC000891246670 714133916 /nfs/dbraw/zinc/13/39/16/714133916.db2.gz DTBZQJXJNGDKMP-DKKFBQAASA-N 1 0 329.488 2.908 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)C(C)(C)C(F)F)[NH+](C)C)cc1 ZINC000891247152 714134833 /nfs/dbraw/zinc/13/48/33/714134833.db2.gz FZCVLQXVSBJEDT-AWEZNQCLSA-N 1 0 327.419 2.763 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ncoc2C2CC2)[NH+](C)C)cc1 ZINC000891247351 714135253 /nfs/dbraw/zinc/13/52/53/714135253.db2.gz IZDAPDHTWAZTDT-INIZCTEOSA-N 1 0 342.443 2.651 20 10 EFCDRO Cc1ccoc1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248551 714136109 /nfs/dbraw/zinc/13/61/09/714136109.db2.gz YLMQBSPVFXDIPZ-KRWDZBQOSA-N 1 0 329.444 2.616 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2ccco2)[NH+](C)C)cc1 ZINC000891248587 714136366 /nfs/dbraw/zinc/13/63/66/714136366.db2.gz ZFXKYBJAEXJFOZ-KURKYZTESA-N 1 0 341.455 2.868 20 10 EFCDRO CCOC1CC(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891249396 714138452 /nfs/dbraw/zinc/13/84/52/714138452.db2.gz SKRBMFAKLOBXGZ-PPSBMQLTSA-N 1 0 347.503 2.677 20 10 EFCDRO C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccccn1 ZINC000891249799 714139235 /nfs/dbraw/zinc/13/92/35/714139235.db2.gz SXBKZTSTNVIXBL-BEFAXECRSA-N 1 0 340.471 2.670 20 10 EFCDRO CO[C@H](CC(C)C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248947 714139639 /nfs/dbraw/zinc/13/96/39/714139639.db2.gz OZBTXMFJCGCWNK-ZWKOTPCHSA-N 1 0 335.492 2.533 20 10 EFCDRO Cc1nscc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250038 714141417 /nfs/dbraw/zinc/14/14/17/714141417.db2.gz YDQJFGPHNXGABD-INIZCTEOSA-N 1 0 332.473 2.550 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)CCCC(=O)C2CC2)[NH+](C)C)cc1 ZINC000891250268 714142393 /nfs/dbraw/zinc/14/23/93/714142393.db2.gz WEKFSEJOWFBGDH-SFHVURJKSA-N 1 0 345.487 2.621 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)CCCn2cccc2)[NH+](C)C)cc1 ZINC000891251022 714143744 /nfs/dbraw/zinc/14/37/44/714143744.db2.gz BVEWQOLPYBZDJC-IBGZPJMESA-N 1 0 342.487 2.753 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)C(C2CC2)C2CC2)[NH+](C)C)cc1 ZINC000891251027 714143955 /nfs/dbraw/zinc/14/39/55/714143955.db2.gz BWKHZLZFECRVIJ-SFHVURJKSA-N 1 0 329.488 2.908 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)CC2(O)CCCCC2)[NH+](C)C)cc1 ZINC000891251586 714144893 /nfs/dbraw/zinc/14/48/93/714144893.db2.gz HCDZVIZXFLTQDK-SFHVURJKSA-N 1 0 347.503 2.557 20 10 EFCDRO CCc1ncsc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252434 714145334 /nfs/dbraw/zinc/14/53/34/714145334.db2.gz LLCQDPCRNGMBMC-INIZCTEOSA-N 1 0 346.500 2.804 20 10 EFCDRO Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1O ZINC000891251650 714145521 /nfs/dbraw/zinc/14/55/21/714145521.db2.gz CWOMZWRIRAPCQG-SFHVURJKSA-N 1 0 341.455 2.799 20 10 EFCDRO CC(C)c1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)on1 ZINC000891251855 714145535 /nfs/dbraw/zinc/14/55/35/714145535.db2.gz HOOBKPJXBIJFSJ-QGZVFWFLSA-N 1 0 344.459 2.897 20 10 EFCDRO CCc1ncsc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252435 714145628 /nfs/dbraw/zinc/14/56/28/714145628.db2.gz LLCQDPCRNGMBMC-MRXNPFEDSA-N 1 0 346.500 2.804 20 10 EFCDRO CC(C)COCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255139 714150286 /nfs/dbraw/zinc/15/02/86/714150286.db2.gz NEPPJJLKMCWHDT-GOSISDBHSA-N 1 0 335.492 2.534 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccnc(Cl)c2)[NH+](C)C)cc1 ZINC000891255962 714150709 /nfs/dbraw/zinc/15/07/09/714150709.db2.gz UFHZZCQFNJHCRH-INIZCTEOSA-N 1 0 346.862 2.834 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)CCC(C)(F)F)[NH+](C)C)cc1 ZINC000891255433 714151895 /nfs/dbraw/zinc/15/18/95/714151895.db2.gz PEZNAFYWBRJVRV-OAHLLOKOSA-N 1 0 327.419 2.907 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)CSC(F)(F)F)[NH+](C)C)cc1 ZINC000891255457 714151914 /nfs/dbraw/zinc/15/19/14/714151914.db2.gz PQQJXQXQVCYEBL-ZDUSSCGKSA-N 1 0 349.422 2.725 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)nc2)[NH+](C)C)cc1 ZINC000891258670 714156281 /nfs/dbraw/zinc/15/62/81/714156281.db2.gz YYGWXDDNRKSLCE-MRXNPFEDSA-N 1 0 346.862 2.834 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160766032 714463906 /nfs/dbraw/zinc/46/39/06/714463906.db2.gz UDVJJVBZQSHQTI-GOSISDBHSA-N 1 0 344.503 2.768 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)c3cn[nH]c3)C2)cc1C ZINC000980940387 717980504 /nfs/dbraw/zinc/98/05/04/717980504.db2.gz ISAXWCLDPGSINL-SJORKVTESA-N 1 0 342.443 2.558 20 10 EFCDRO CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]2C1 ZINC000980251898 717981058 /nfs/dbraw/zinc/98/10/58/717981058.db2.gz HBLAPUNQLLBRFE-OFQRWUPVSA-N 1 0 343.431 2.699 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3oc(C)nc3C)C2)cc1C ZINC001021930045 714601117 /nfs/dbraw/zinc/60/11/17/714601117.db2.gz BKGVNVOFBJJKQR-IYBDPMFKSA-N 1 0 343.427 2.659 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)cc1 ZINC000075825886 714673274 /nfs/dbraw/zinc/67/32/74/714673274.db2.gz RUMKXEOEEOUXFB-UHFFFAOYSA-N 1 0 338.455 2.542 20 10 EFCDRO COc1ccc(C[N@H+](C)C[C@@H]2COc3ccccc3O2)c(O)c1OC ZINC000891483926 714778406 /nfs/dbraw/zinc/77/84/06/714778406.db2.gz XTKGNAAUPQQJDQ-CQSZACIVSA-N 1 0 345.395 2.681 20 10 EFCDRO COc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c(O)c1OC ZINC000891488090 714780476 /nfs/dbraw/zinc/78/04/76/714780476.db2.gz RKTYJTXMIOLBLL-UHFFFAOYSA-N 1 0 345.395 2.813 20 10 EFCDRO COc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c(O)c1OC ZINC000891512717 714794424 /nfs/dbraw/zinc/79/44/24/714794424.db2.gz VTMDNHMWJAUESS-UHFFFAOYSA-N 1 0 331.368 2.770 20 10 EFCDRO Cc1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cnc1F ZINC000891526685 714800971 /nfs/dbraw/zinc/80/09/71/714800971.db2.gz NYHKIKSXAOLHIC-UHFFFAOYSA-N 1 0 329.419 2.998 20 10 EFCDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000891532710 714805607 /nfs/dbraw/zinc/80/56/07/714805607.db2.gz LOCYEWXABYKTSD-RDJZCZTQSA-N 1 0 330.476 2.554 20 10 EFCDRO CN(CCCCCC[NH3+])C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000891590464 714838117 /nfs/dbraw/zinc/83/81/17/714838117.db2.gz UIDXNIYOMYKPKU-UHFFFAOYSA-N 1 0 330.476 2.723 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000085405843 714967958 /nfs/dbraw/zinc/96/79/58/714967958.db2.gz QCNJUTGUNMOCKG-YJBOKZPZSA-N 1 0 332.492 2.543 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c(O)c1OC ZINC000891755004 714998771 /nfs/dbraw/zinc/99/87/71/714998771.db2.gz SGQFNDZABGAWAY-CYBMUJFWSA-N 1 0 331.416 2.523 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[C@@H]3OC)C2)cc1C ZINC001022315208 715003516 /nfs/dbraw/zinc/00/35/16/715003516.db2.gz QKPKVBALPOJGHW-NTDBWNAOSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[C@H]3OC)C2)cc1C ZINC001022315210 715003522 /nfs/dbraw/zinc/00/35/22/715003522.db2.gz QKPKVBALPOJGHW-SFNKJDCFSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)c3cocn3)C2)cc1C ZINC000980971042 718025383 /nfs/dbraw/zinc/02/53/83/718025383.db2.gz AHDWSQQBYCLDRC-HOTGVXAUSA-N 1 0 343.427 2.822 20 10 EFCDRO COc1ccc(C[N@@H+]2CCc3ccc(O)cc3CC2)c(O)c1OC ZINC000891847896 715060772 /nfs/dbraw/zinc/06/07/72/715060772.db2.gz SRNQBTCOQVNVEA-UHFFFAOYSA-N 1 0 329.396 2.716 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)NCc2ccsc2)[NH+](C)C)cc1 ZINC000891854270 715067022 /nfs/dbraw/zinc/06/70/22/715067022.db2.gz HWJREKLJDAZWBE-QGZVFWFLSA-N 1 0 346.500 2.916 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc(F)c[nH]3)C2)cc1C ZINC001022447098 715161300 /nfs/dbraw/zinc/16/13/00/715161300.db2.gz AWLURCQVIDNGTO-GASCZTMLSA-N 1 0 331.391 2.521 20 10 EFCDRO CCC(CC)[NH2+]CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000892005317 715218065 /nfs/dbraw/zinc/21/80/65/715218065.db2.gz SIFDEIXZBUEJMY-UHFFFAOYSA-N 1 0 332.492 2.864 20 10 EFCDRO COc1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c(O)c1OC ZINC000892086750 715246028 /nfs/dbraw/zinc/24/60/28/715246028.db2.gz VOACTNVZGRFQFC-INIZCTEOSA-N 1 0 334.460 2.860 20 10 EFCDRO COc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c(O)c1OC ZINC000892086771 715246105 /nfs/dbraw/zinc/24/61/05/715246105.db2.gz VOACTNVZGRFQFC-MRXNPFEDSA-N 1 0 334.460 2.860 20 10 EFCDRO COc1ccc(CN2CCC[C@@H]2C(=O)OC(C)(C)C)c(O)c1OC ZINC000892121884 715263522 /nfs/dbraw/zinc/26/35/22/715263522.db2.gz WSPOUCWLMOCUCE-CYBMUJFWSA-N 1 0 337.416 2.716 20 10 EFCDRO COc1ccc(C[NH+]2CCC(N(C)CC(F)F)CC2)c(O)c1OC ZINC000892136591 715269144 /nfs/dbraw/zinc/26/91/44/715269144.db2.gz MGPJRHHVJSRPMX-UHFFFAOYSA-N 1 0 344.402 2.571 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C)[C@@H]3CCCO3)C2)cc1C ZINC001022679033 715292304 /nfs/dbraw/zinc/29/23/04/715292304.db2.gz UISKWXLQXIWHPC-NWGLXNPWSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)c(O)c1OC ZINC000892222834 715372393 /nfs/dbraw/zinc/37/23/93/715372393.db2.gz BHNRIAFKTYFJFR-OAHLLOKOSA-N 1 0 331.416 2.788 20 10 EFCDRO C[N@H+](Cc1cnc2ccccn12)Cc1ccc(N2CCOCC2)cc1 ZINC000158268217 715492495 /nfs/dbraw/zinc/49/24/95/715492495.db2.gz GCWLJYVTWDTJOE-UHFFFAOYSA-N 1 0 336.439 2.803 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC34CCC4)C2)cc1C ZINC001022781141 715651239 /nfs/dbraw/zinc/65/12/39/715651239.db2.gz OEVREXCHQGJKIJ-BBWFWOEESA-N 1 0 328.456 2.931 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)Cc3ccco3)C2)cc1C ZINC001027132081 715670591 /nfs/dbraw/zinc/67/05/91/715670591.db2.gz FPHAUFIWIXKIIU-QGZVFWFLSA-N 1 0 342.439 2.777 20 10 EFCDRO CCc1oncc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001022794250 715685548 /nfs/dbraw/zinc/68/55/48/715685548.db2.gz PVCCHGNCPOQBHC-GASCZTMLSA-N 1 0 343.427 2.605 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3nocc3C)C2)cc1C ZINC001027157569 715755562 /nfs/dbraw/zinc/75/55/62/715755562.db2.gz BTILTHULUULGQA-INIZCTEOSA-N 1 0 343.427 2.552 20 10 EFCDRO Cc1nc(CN2CCN(Cc3ccc(N(C)C)cc3)CC2)oc1C ZINC000093055721 715894471 /nfs/dbraw/zinc/89/44/71/715894471.db2.gz FPGWVMCYOPOAJQ-UHFFFAOYSA-N 1 0 328.460 2.675 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@]3(C)CCCOC3)C2)cc1C ZINC001022900795 715914692 /nfs/dbraw/zinc/91/46/92/715914692.db2.gz IVDSFVXPIQDBGI-FUHIMQAGSA-N 1 0 346.471 2.557 20 10 EFCDRO CON1CCC([N@H+](C)Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894969412 723038768 /nfs/dbraw/zinc/03/87/68/723038768.db2.gz DFCTUKZMGMIZTI-UHFFFAOYSA-N 1 0 347.228 2.751 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3c[nH]cc3C)C2)cc1C ZINC001023083337 716138480 /nfs/dbraw/zinc/13/84/80/716138480.db2.gz FATSRQCXZIBKHF-IYBDPMFKSA-N 1 0 327.428 2.691 20 10 EFCDRO Cc1ncccc1/C=C1/SC(=S)N(C2CC[NH+](C)CC2)C1=O ZINC000255579010 716534780 /nfs/dbraw/zinc/53/47/80/716534780.db2.gz JDYFCXXGPNLVOG-GXDHUFHOSA-N 1 0 333.482 2.685 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)CC3CC3)CCO2)cc1C ZINC000979145195 716749527 /nfs/dbraw/zinc/74/95/27/716749527.db2.gz PDDQECICADIHOV-KXBFYZLASA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)CC(C)C)CCO2)cc1C ZINC000979195662 716791582 /nfs/dbraw/zinc/79/15/82/716791582.db2.gz DPAQMLSQBSZEGO-QFBILLFUSA-N 1 0 348.487 2.755 20 10 EFCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N1CCCCC1 ZINC000178462955 716887953 /nfs/dbraw/zinc/88/79/53/716887953.db2.gz AMQDASATXYAURZ-IAGOWNOFSA-N 1 0 345.487 2.575 20 10 EFCDRO CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001023770084 716990457 /nfs/dbraw/zinc/99/04/57/716990457.db2.gz PAJRXMJBEYRCOX-CYBMUJFWSA-N 1 0 331.420 2.701 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)C(C)(C)C)CCO2)cc1C ZINC000979427529 717015643 /nfs/dbraw/zinc/01/56/43/717015643.db2.gz JAENBKGZCZHGMM-QAPCUYQASA-N 1 0 348.487 2.755 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)c(O)c1OC ZINC000892420379 717243705 /nfs/dbraw/zinc/24/37/05/717243705.db2.gz QPSZFSZZGWPENI-INIZCTEOSA-N 1 0 348.418 2.941 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3C)C2)cc1C ZINC001024100208 717330023 /nfs/dbraw/zinc/33/00/23/717330023.db2.gz YKTFZOCMNLVOLS-FHLIZLRMSA-N 1 0 330.472 2.988 20 10 EFCDRO C[C@H]1CCC[C@]1(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893607876 717371883 /nfs/dbraw/zinc/37/18/83/717371883.db2.gz MDXCBIUHKROJFO-JXFKEZNVSA-N 1 0 329.488 2.881 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)c3cc[nH]c3)C2)cc1C ZINC000980589091 717460186 /nfs/dbraw/zinc/46/01/86/717460186.db2.gz UOJLVEXSQBCXPG-RDJZCZTQSA-N 1 0 341.455 2.972 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](Cc2ccccc2)N(C)C)c(O)c1OC ZINC000892451381 717546986 /nfs/dbraw/zinc/54/69/86/717546986.db2.gz SXWKEMBNXRZMIS-QGZVFWFLSA-N 1 0 344.455 2.672 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000840935512 717581520 /nfs/dbraw/zinc/58/15/20/717581520.db2.gz ROXWXQCRGMNEKI-UHFFFAOYSA-N 1 0 346.496 2.895 20 10 EFCDRO COc1ccc(OC)c(CN2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC000179558049 717786578 /nfs/dbraw/zinc/78/65/78/717786578.db2.gz MNKPNZPHYLFORD-UHFFFAOYSA-N 1 0 342.439 2.727 20 10 EFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c1O ZINC000177104578 717795807 /nfs/dbraw/zinc/79/58/07/717795807.db2.gz BEHQKLXOKFDMDN-GFCCVEGCSA-N 1 0 338.835 2.726 20 10 EFCDRO CC(C)[NH2+]C[C@H]1C[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980817902 717799499 /nfs/dbraw/zinc/79/94/99/717799499.db2.gz JDTROYFPBIYICC-QWHCGFSZSA-N 1 0 331.420 2.698 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ocnc3C)[C@@H]2C)cc1C ZINC000986100424 724476169 /nfs/dbraw/zinc/47/61/69/724476169.db2.gz JSHIUVIEGIZAQN-GDBMZVCRSA-N 1 0 343.427 2.693 20 10 EFCDRO Cc1ccc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c(O)c1O ZINC000177659955 718148411 /nfs/dbraw/zinc/14/84/11/718148411.db2.gz QQYZJUOKIALULH-OAHLLOKOSA-N 1 0 332.375 2.578 20 10 EFCDRO Cc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c(O)c1O ZINC000177670923 718154943 /nfs/dbraw/zinc/15/49/43/718154943.db2.gz GIPGNIVOVRPDSC-UHFFFAOYSA-N 1 0 340.423 2.584 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000177708341 718174728 /nfs/dbraw/zinc/17/47/28/718174728.db2.gz KTFJZFUPKDMLNQ-DOTOQJQBSA-N 1 0 344.503 2.957 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000177708380 718174834 /nfs/dbraw/zinc/17/48/34/718174834.db2.gz KTFJZFUPKDMLNQ-WBVHZDCISA-N 1 0 344.503 2.957 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H](C)OC)cc1C ZINC001024890475 718208423 /nfs/dbraw/zinc/20/84/23/718208423.db2.gz IXTNKCXSRAKYTD-DOTOQJQBSA-N 1 0 334.460 2.509 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2CCOC2)cc1C ZINC001024896440 718210651 /nfs/dbraw/zinc/21/06/51/718210651.db2.gz IQPLKJVGZNQIIN-QZTJIDSGSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)c2cocn2)cc1C ZINC001024898711 718211532 /nfs/dbraw/zinc/21/15/32/718211532.db2.gz LHOBRUVDACLAAQ-MRXNPFEDSA-N 1 0 343.427 2.776 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)c2ncc[nH]2)cc1C ZINC001024958444 718238593 /nfs/dbraw/zinc/23/85/93/718238593.db2.gz XBQBESGPCPUHPN-MRXNPFEDSA-N 1 0 342.443 2.511 20 10 EFCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cnc1F ZINC000892623433 718351021 /nfs/dbraw/zinc/35/10/21/718351021.db2.gz XDFLQCJXHUTCHZ-UHFFFAOYSA-N 1 0 333.382 2.795 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)CN2C[C@H](C)C[C@@H](C)C2)c(O)c1OC ZINC000892674952 718472423 /nfs/dbraw/zinc/47/24/23/718472423.db2.gz LVFSLRXBVNGFQH-RBSFLKMASA-N 1 0 336.476 2.865 20 10 EFCDRO COc1cc(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCC3CC3)C2)cc(OC)n1 ZINC000981200094 718494081 /nfs/dbraw/zinc/49/40/81/718494081.db2.gz XARBQWQYTAULNZ-CVEARBPZSA-N 1 0 347.459 2.530 20 10 EFCDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000935946778 718764351 /nfs/dbraw/zinc/76/43/51/718764351.db2.gz OEGVHOQCFASHHK-HZSPNIEDSA-N 1 0 325.449 2.755 20 10 EFCDRO COc1ccc(C[NH2+]Cc2cn3cc(C)ccc3n2)c(O)c1OC ZINC000892935923 719290310 /nfs/dbraw/zinc/29/03/10/719290310.db2.gz JGLLPMDYSRDOSI-UHFFFAOYSA-N 1 0 327.384 2.655 20 10 EFCDRO COc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(O)c1OC ZINC000892937563 719290898 /nfs/dbraw/zinc/29/08/98/719290898.db2.gz SGSZPBXCCZYLGY-UHFFFAOYSA-N 1 0 332.356 2.650 20 10 EFCDRO Cc1ccccc1N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000024105000 719306328 /nfs/dbraw/zinc/30/63/28/719306328.db2.gz FGYOJYFNSPTONB-UHFFFAOYSA-N 1 0 326.396 2.752 20 10 EFCDRO COc1cccc(O[C@@H](C)C[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000893080930 719592582 /nfs/dbraw/zinc/59/25/82/719592582.db2.gz VECQFDGVKORLFF-ZDUSSCGKSA-N 1 0 347.411 2.975 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c(O)c1OC ZINC000893133500 719720524 /nfs/dbraw/zinc/72/05/24/719720524.db2.gz FDYQGLSJBJCDKZ-DYVFJYSZSA-N 1 0 339.457 2.554 20 10 EFCDRO COc1ccc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c(O)c1OC ZINC000893146663 719732058 /nfs/dbraw/zinc/73/20/58/719732058.db2.gz NLQAGJKRZYJWEZ-UHFFFAOYSA-N 1 0 343.379 2.917 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)C(C)C)C[C@@H]23)cc1C ZINC001026200962 719916058 /nfs/dbraw/zinc/91/60/58/719916058.db2.gz OQICUOFQVKWPNX-KZNAEPCWSA-N 1 0 330.472 2.986 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)C(C)C)C[C@H]32)cc1C ZINC001026200964 719916133 /nfs/dbraw/zinc/91/61/33/719916133.db2.gz OQICUOFQVKWPNX-RCCFBDPRSA-N 1 0 330.472 2.986 20 10 EFCDRO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(F)c1 ZINC000180605381 719954582 /nfs/dbraw/zinc/95/45/82/719954582.db2.gz FCZAUJKDJWXANS-MNDMWVCDSA-N 1 0 344.386 2.669 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c(O)c1OC ZINC000893202104 720034483 /nfs/dbraw/zinc/03/44/83/720034483.db2.gz ZFAKXPYXNCIKEP-OAHLLOKOSA-N 1 0 336.476 2.867 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(=O)n3c(C)csc3n2)c1 ZINC000182468789 720136692 /nfs/dbraw/zinc/13/66/92/720136692.db2.gz NKEYLZZYGLRUAJ-LLVKDONJSA-N 1 0 345.424 2.629 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c(O)c1OC ZINC000893249194 720247993 /nfs/dbraw/zinc/24/79/93/720247993.db2.gz SDOIPNJTOSHOAR-MCFWBGNESA-N 1 0 349.452 2.998 20 10 EFCDRO CCCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028341123 720400779 /nfs/dbraw/zinc/40/07/79/720400779.db2.gz ZGGFDMJFUAAKBO-HNNXBMFYSA-N 1 0 331.420 2.843 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c(O)c1OC ZINC000893276173 720406777 /nfs/dbraw/zinc/40/67/77/720406777.db2.gz RGPMAHRHKDISOR-KFNAQCHYSA-N 1 0 341.498 2.879 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c(O)c1OC ZINC000893276169 720406848 /nfs/dbraw/zinc/40/68/48/720406848.db2.gz RGPMAHRHKDISOR-AXAPSJFSSA-N 1 0 341.498 2.879 20 10 EFCDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000186030184 720442533 /nfs/dbraw/zinc/44/25/33/720442533.db2.gz DCYYLXXRQQTTIK-STQMWFEESA-N 1 0 325.474 2.745 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2COC3(CCCCC3)O2)c(O)c1OC ZINC000893304566 720525975 /nfs/dbraw/zinc/52/59/75/720525975.db2.gz NSDAGTXQURXCKI-AWEZNQCLSA-N 1 0 337.416 2.575 20 10 EFCDRO C[C@@H](CC(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000178710808 720569714 /nfs/dbraw/zinc/56/97/14/720569714.db2.gz NTJVIBVWKUATNF-WMZOPIPTSA-N 1 0 329.488 2.929 20 10 EFCDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc2c(cc1O)CCCC2 ZINC000188842626 720574162 /nfs/dbraw/zinc/57/41/62/720574162.db2.gz PGAGTIZMLWZTEK-HNNXBMFYSA-N 1 0 332.488 2.548 20 10 EFCDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000188931206 720578362 /nfs/dbraw/zinc/57/83/62/720578362.db2.gz GOMKYNFRUUEFMQ-HXUWFJFHSA-N 1 0 340.467 2.525 20 10 EFCDRO CCC[NH2+]C1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001026613007 720816339 /nfs/dbraw/zinc/81/63/39/720816339.db2.gz QQLYFZQKNMZMSI-UHFFFAOYSA-N 1 0 331.420 2.890 20 10 EFCDRO COc1cc(O)c(C[NH2+]CCSCC(F)(F)F)cc1OC ZINC000776251781 720829847 /nfs/dbraw/zinc/82/98/47/720829847.db2.gz AGKFCIXTFITYOG-UHFFFAOYSA-N 1 0 325.352 2.795 20 10 EFCDRO CCOc1ccc(C[C@@H](C[NH2+]Cc2ccccc2O)C(=O)OC)cc1 ZINC000894141943 720890620 /nfs/dbraw/zinc/89/06/20/720890620.db2.gz XAZZJDVCVXQOFS-KRWDZBQOSA-N 1 0 343.423 2.912 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCc2ccc3c(c2)OCCO3)c1O ZINC000894147442 720940325 /nfs/dbraw/zinc/94/03/25/720940325.db2.gz MDKWGGMGHAJQCC-UHFFFAOYSA-N 1 0 329.396 2.813 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C)SC)C2)cc1C ZINC001026701708 720940713 /nfs/dbraw/zinc/94/07/13/720940713.db2.gz YMWUWVVFVWPUNY-GDBMZVCRSA-N 1 0 336.501 2.693 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3ncoc3C)C2)cc1C ZINC001026717436 720963465 /nfs/dbraw/zinc/96/34/65/720963465.db2.gz DLDKMHZYXOSUPE-MRXNPFEDSA-N 1 0 343.427 2.552 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3cscn3)C2)cc1C ZINC001026730562 720998978 /nfs/dbraw/zinc/99/89/78/720998978.db2.gz YJLUPVJDVRCIPR-HNNXBMFYSA-N 1 0 345.468 2.712 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C(=O)C(C)(C)C)C2)cc1C ZINC001026737878 721010518 /nfs/dbraw/zinc/01/05/18/721010518.db2.gz NGEMHSKXNLWPQJ-INIZCTEOSA-N 1 0 346.471 2.557 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCN2CCc3ccccc3C2)c1O ZINC000894164932 721010885 /nfs/dbraw/zinc/01/08/85/721010885.db2.gz LFIOXYZXVJLJNY-UHFFFAOYSA-N 1 0 326.440 2.857 20 10 EFCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1cnc[nH]1 ZINC000894187578 721184784 /nfs/dbraw/zinc/18/47/84/721184784.db2.gz LPBXXHVZPGMZTK-UHFFFAOYSA-N 1 0 340.349 2.555 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1O ZINC000894190345 721189015 /nfs/dbraw/zinc/18/90/15/721189015.db2.gz NVLCJDBWGGOZLI-GFCCVEGCSA-N 1 0 332.366 2.683 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCN2CCc3sccc3C2)c1O ZINC000894200261 721194954 /nfs/dbraw/zinc/19/49/54/721194954.db2.gz KRYRIPKDJLBKJX-UHFFFAOYSA-N 1 0 332.469 2.919 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)COc2cccc(C)c2)c1O ZINC000894202036 721196962 /nfs/dbraw/zinc/19/69/62/721196962.db2.gz BVBWMGKIHDMWRU-MRXNPFEDSA-N 1 0 331.412 2.547 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C2CCN(C(=O)CC(C)C)CC2)c1O ZINC000894204610 721200960 /nfs/dbraw/zinc/20/09/60/721200960.db2.gz QABHTIHLOVRUJY-UHFFFAOYSA-N 1 0 334.460 2.836 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)C(C)(F)F)C2)cc1C ZINC000982997564 721753747 /nfs/dbraw/zinc/75/37/47/721753747.db2.gz KFVXGCRXNBJWOD-HDJSIYSDSA-N 1 0 326.387 2.643 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(c3ccc(C)cc3)C2=O)c1O ZINC000894268712 721823000 /nfs/dbraw/zinc/82/30/00/721823000.db2.gz LZXWSDLVWRGSAP-QGZVFWFLSA-N 1 0 340.423 2.913 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2ccc(C)cc2)c(O)c1OC ZINC000894411017 722717394 /nfs/dbraw/zinc/71/73/94/722717394.db2.gz BMMSYIHQIYKWAN-SUMWQHHRSA-N 1 0 331.412 2.930 20 10 EFCDRO COc1ccc(CN2CCCC[C@H]2c2nc(C)no2)c(O)c1OC ZINC000894435998 722736826 /nfs/dbraw/zinc/73/68/26/722736826.db2.gz GNBVFFUABSWIBG-ZDUSSCGKSA-N 1 0 333.388 2.828 20 10 EFCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(N3CCOC3=O)cc2)c1O ZINC000894437951 722737384 /nfs/dbraw/zinc/73/73/84/722737384.db2.gz TZIXOSNEGQGCOI-UHFFFAOYSA-N 1 0 342.395 2.956 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c(O)c1OC ZINC000894592451 722792786 /nfs/dbraw/zinc/79/27/86/722792786.db2.gz XTOMYDDYPZVXGC-CQSZACIVSA-N 1 0 346.402 2.917 20 10 EFCDRO COc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c(O)c1OC ZINC000894632478 722803243 /nfs/dbraw/zinc/80/32/43/722803243.db2.gz BJMYVUQSRGKZHW-SFHVURJKSA-N 1 0 333.428 2.800 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c(O)c1OC ZINC000894722268 722831883 /nfs/dbraw/zinc/83/18/83/722831883.db2.gz AMCVDJFIYWEBRP-GDBMZVCRSA-N 1 0 325.449 2.788 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000894748284 722833520 /nfs/dbraw/zinc/83/35/20/722833520.db2.gz RPJSMDZKCGQEPN-STQMWFEESA-N 1 0 333.350 2.702 20 10 EFCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c1O ZINC000894756305 722837483 /nfs/dbraw/zinc/83/74/83/722837483.db2.gz ICORWEVJUFGWOY-HSZRJFAPSA-N 1 0 333.453 2.878 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CC2)c1O ZINC000894791089 722845695 /nfs/dbraw/zinc/84/56/95/722845695.db2.gz ZUFQYTDVHUTJAD-MRXNPFEDSA-N 1 0 348.443 2.952 20 10 EFCDRO COc1ccc(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)c(O)c1OC ZINC000894809272 722854097 /nfs/dbraw/zinc/85/40/97/722854097.db2.gz HRAYTUUHMNGAPU-KRWDZBQOSA-N 1 0 345.439 2.719 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)c1O ZINC000894819621 722856184 /nfs/dbraw/zinc/85/61/84/722856184.db2.gz XJASKOBCPHFDBL-AWEZNQCLSA-N 1 0 344.386 2.743 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1O ZINC000894816831 722857653 /nfs/dbraw/zinc/85/76/53/722857653.db2.gz WSKZUQGZHHVYAZ-HXUWFJFHSA-N 1 0 327.424 2.845 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3cc[nH]c3)C2)cc1C ZINC000983745191 722923882 /nfs/dbraw/zinc/92/38/82/722923882.db2.gz ZBMFFLFUYLGUCX-JCNLHEQBSA-N 1 0 327.428 2.630 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000141066581 723010235 /nfs/dbraw/zinc/01/02/35/723010235.db2.gz XNJWFJQRUQHSAD-MJGOQNOKSA-N 1 0 344.503 2.687 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@H](COC(N)=O)Cc2ccccc2)c1O ZINC000894993580 723044293 /nfs/dbraw/zinc/04/42/93/723044293.db2.gz YZDYZWITRMWPTD-INIZCTEOSA-N 1 0 344.411 2.919 20 10 EFCDRO COc1ccc([C@H](CO)C[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894985475 723045309 /nfs/dbraw/zinc/04/53/09/723045309.db2.gz PPRDIOVUGOUHSD-INIZCTEOSA-N 1 0 331.412 2.584 20 10 EFCDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000895005326 723046792 /nfs/dbraw/zinc/04/67/92/723046792.db2.gz XQCKLCFAPLXCJK-GOSISDBHSA-N 1 0 330.815 2.675 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(OC)cn3)C2)cc1 ZINC000895006426 723047103 /nfs/dbraw/zinc/04/71/03/723047103.db2.gz QVCUQJCLMSKGFL-OAHLLOKOSA-N 1 0 327.428 2.715 20 10 EFCDRO CCN(C(=O)C[NH2+]Cc1cc(OC)c(OC)cc1O)c1ccccc1 ZINC000896291952 723244219 /nfs/dbraw/zinc/24/42/19/723244219.db2.gz BOMZHERZCNRJHB-UHFFFAOYSA-N 1 0 344.411 2.552 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000066971298 723375489 /nfs/dbraw/zinc/37/54/89/723375489.db2.gz JSROAJHFBCAEEK-LJQANCHMSA-N 1 0 348.393 2.625 20 10 EFCDRO COc1cc(O)c(C[NH2+]C[C@@](C)(O)c2cccc(F)c2)cc1OC ZINC000896565479 723377193 /nfs/dbraw/zinc/37/71/93/723377193.db2.gz WTCVSAFJJJKOHE-GOSISDBHSA-N 1 0 335.375 2.546 20 10 EFCDRO CCc1cccc(C[NH2+]CCc2ccccc2S(C)(=O)=O)c1O ZINC000896814459 723492389 /nfs/dbraw/zinc/49/23/89/723492389.db2.gz PHOSDWVEDDSDBM-UHFFFAOYSA-N 1 0 333.453 2.690 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC000237273886 723570449 /nfs/dbraw/zinc/57/04/49/723570449.db2.gz ZHJBMUKSXGGLBV-ZWKOTPCHSA-N 1 0 331.504 2.986 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3oncc3C)C2)cc1C ZINC000984995316 723600177 /nfs/dbraw/zinc/60/01/77/723600177.db2.gz DZEATYLRINBRIH-WKILWMFISA-N 1 0 343.427 2.598 20 10 EFCDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCCSc1nccs1 ZINC000154650739 728842894 /nfs/dbraw/zinc/84/28/94/728842894.db2.gz NTTIBVOXHUBTGT-ZDUSSCGKSA-N 1 0 342.534 2.607 20 10 EFCDRO COc1ccc(C[NH2+][C@H](CC(=O)OC(C)C)C(C)C)c(O)c1OC ZINC000895217652 723882671 /nfs/dbraw/zinc/88/26/71/723882671.db2.gz ADPRYEDQISTLSP-CQSZACIVSA-N 1 0 339.432 2.865 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[NH+](C(C)C)CC2)cc1 ZINC000918228034 728855697 /nfs/dbraw/zinc/85/56/97/728855697.db2.gz FEBBOUCHSZZDSV-UHFFFAOYSA-N 1 0 332.492 2.768 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2C(=O)NCC2(C)C)cc1 ZINC000895321020 724027805 /nfs/dbraw/zinc/02/78/05/724027805.db2.gz JQANCRUHRMULRW-KRWDZBQOSA-N 1 0 343.496 2.999 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1O ZINC000093281838 724040053 /nfs/dbraw/zinc/04/00/53/724040053.db2.gz DNAVXULZNCUQNZ-AWEZNQCLSA-N 1 0 334.460 2.775 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(CC(N)=O)cc2)cc1 ZINC000727467182 724055603 /nfs/dbraw/zinc/05/56/03/724055603.db2.gz PKURAIKANHUXJY-UHFFFAOYSA-N 1 0 325.456 2.850 20 10 EFCDRO Cn1nc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000727467958 724057665 /nfs/dbraw/zinc/05/76/65/724057665.db2.gz CAZUQDUBQCXWSZ-UHFFFAOYSA-N 1 0 336.439 2.700 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2COc3cc(F)ccc3C2)c(O)c1OC ZINC000895380178 724090356 /nfs/dbraw/zinc/09/03/56/724090356.db2.gz HGOVGSVYIQSOJF-AWEZNQCLSA-N 1 0 333.359 2.642 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)c(O)c1OC ZINC000895461381 724144266 /nfs/dbraw/zinc/14/42/66/724144266.db2.gz XYIFMSXUYHEILF-CJNGLKHVSA-N 1 0 331.412 2.664 20 10 EFCDRO CCO/C=C\[C@](O)(C[NH2+]Cc1ccc(OC)c(C)c1)C(F)(F)F ZINC000895706809 724266222 /nfs/dbraw/zinc/26/62/22/724266222.db2.gz IMKHJFZJFHYVGK-LZNQSLFOSA-N 1 0 333.350 2.937 20 10 EFCDRO CN1CCCc2cc(C[NH2+]C[C@H](O)COc3ccc(F)cc3)ccc21 ZINC000727644416 724283182 /nfs/dbraw/zinc/28/31/82/724283182.db2.gz DNPAONICRWNYHZ-SFHVURJKSA-N 1 0 344.430 2.738 20 10 EFCDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000895772485 724307064 /nfs/dbraw/zinc/30/70/64/724307064.db2.gz RXHULIGMBCPAQM-QGZVFWFLSA-N 1 0 347.528 2.729 20 10 EFCDRO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)ccc1N1CCCCC1 ZINC000895785098 724313050 /nfs/dbraw/zinc/31/30/50/724313050.db2.gz QHNWPRJJUYYFPU-JTDSTZFVSA-N 1 0 345.443 2.788 20 10 EFCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)CC(C)C ZINC000895814672 724328971 /nfs/dbraw/zinc/32/89/71/724328971.db2.gz STLZISKXKFPHGQ-IBGZPJMESA-N 1 0 347.503 2.539 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccncc3)[C@H]2C)cc1C ZINC000985881053 724945344 /nfs/dbraw/zinc/94/53/44/724945344.db2.gz YVZRQWCYRNYXSB-MAUKXSAKSA-N 1 0 339.439 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccco3)[C@H]2C)cc1C ZINC000985889123 724950112 /nfs/dbraw/zinc/95/01/12/724950112.db2.gz YWOUVCQPMDMKGS-GOEBONIOSA-N 1 0 328.412 2.989 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc(C)no3)[C@@H]2C)cc1C ZINC000985975940 724996009 /nfs/dbraw/zinc/99/60/09/724996009.db2.gz YQHLNAFTBBTAIN-GDBMZVCRSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc(C)no3)[C@H]2C)cc1C ZINC000985975950 724996168 /nfs/dbraw/zinc/99/61/68/724996168.db2.gz YQHLNAFTBBTAIN-HOCLYGCPSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccc[nH]3)[C@H]2C)cc1C ZINC000985982324 724998448 /nfs/dbraw/zinc/99/84/48/724998448.db2.gz MREDTRPYVZWEIL-GOEBONIOSA-N 1 0 327.428 2.725 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3=COCCC3)[C@@H]2C)cc1C ZINC000986052786 725026379 /nfs/dbraw/zinc/02/63/79/725026379.db2.gz IDFIDRCFZJZMSI-QAPCUYQASA-N 1 0 344.455 2.777 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(=O)C(C)(C)C)[C@@H]2C)cc1C ZINC000986065990 725029710 /nfs/dbraw/zinc/02/97/10/725029710.db2.gz MGSFDMQSKUJTRT-GDBMZVCRSA-N 1 0 346.471 2.698 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C(F)F)C2)cc1C ZINC000994597314 728949467 /nfs/dbraw/zinc/94/94/67/728949467.db2.gz NEHHMRQTERASIE-KGLIPLIRSA-N 1 0 326.387 2.643 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3ccco3)[C@H]2C)cc1C ZINC000987223871 725597663 /nfs/dbraw/zinc/59/76/63/725597663.db2.gz MYKGYMRNSNYSBY-MAUKXSAKSA-N 1 0 342.439 2.918 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3nccs3)[C@@H]2C)cc1C ZINC000987230765 725601733 /nfs/dbraw/zinc/60/17/33/725601733.db2.gz SLKNKVYOYKOYBO-UKRRQHHQSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3oncc3C)[C@@H]2C)cc1C ZINC000987296881 725634179 /nfs/dbraw/zinc/63/41/79/725634179.db2.gz DESZVTHYKLVMDY-GDBMZVCRSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+]Cc2cnn(CC3CCC3)c2)c(O)c1OC ZINC000897428693 725730257 /nfs/dbraw/zinc/73/02/57/725730257.db2.gz PKPLSAGFQVUTEP-UHFFFAOYSA-N 1 0 331.416 2.696 20 10 EFCDRO CC(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC000987583481 725765823 /nfs/dbraw/zinc/76/58/23/725765823.db2.gz DGQUYOMYAOYBKN-WFASDCNBSA-N 1 0 331.420 2.698 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3ccccc3CO)CC2)cc1 ZINC000151791487 725833478 /nfs/dbraw/zinc/83/34/78/725833478.db2.gz RGINVOHVHZXIHG-UHFFFAOYSA-N 1 0 326.440 2.946 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C(C)(F)F)C2)cc1C ZINC000987754897 725839856 /nfs/dbraw/zinc/83/98/56/725839856.db2.gz LEIRBNJQXITGAJ-JSGCOSHPSA-N 1 0 326.387 2.738 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3cncs3)C2)cc1C ZINC000988249065 726132917 /nfs/dbraw/zinc/13/29/17/726132917.db2.gz QQYXOFUBXYMAAJ-ZFWWWQNUSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3ncoc3C)C2)cc1C ZINC000988299658 726163150 /nfs/dbraw/zinc/16/31/50/726163150.db2.gz YPPRNKKDCJNHPY-CZUORRHYSA-N 1 0 343.427 2.693 20 10 EFCDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000152802261 726259746 /nfs/dbraw/zinc/25/97/46/726259746.db2.gz ZPNFTQPPCRRPHL-CYBMUJFWSA-N 1 0 342.534 2.656 20 10 EFCDRO CN(C)c1ccc([C@H](CNc2cc(N)ccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000897521379 726395670 /nfs/dbraw/zinc/39/56/70/726395670.db2.gz FPQPBQVWRBRIIM-SFHVURJKSA-N 1 0 343.431 2.958 20 10 EFCDRO COC(=O)c1ccc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1 ZINC000897520955 726396625 /nfs/dbraw/zinc/39/66/25/726396625.db2.gz BKLVWTPVPDOWBK-KRWDZBQOSA-N 1 0 342.443 2.649 20 10 EFCDRO Cc1noc2ncnc(NC[C@H](c3ccc(N(C)C)cc3)[NH+](C)C)c12 ZINC000897521408 726397320 /nfs/dbraw/zinc/39/73/20/726397320.db2.gz FYWKKWVDGVAVMB-OAHLLOKOSA-N 1 0 340.431 2.707 20 10 EFCDRO CN(C)c1ccc([C@@H](CNc2cc(Cl)nc(=O)[nH]2)[NH+](C)C)cc1 ZINC000897521657 726397668 /nfs/dbraw/zinc/39/76/68/726397668.db2.gz HCAOCBYDQLYCQC-CYBMUJFWSA-N 1 0 335.839 2.616 20 10 EFCDRO CN(C)c1ccc([C@H](CNc2ccc([N+](=O)[O-])nc2)[NH+](C)C)cc1 ZINC000897521486 726397715 /nfs/dbraw/zinc/39/77/15/726397715.db2.gz GYTLOBDTURDAMG-INIZCTEOSA-N 1 0 329.404 2.771 20 10 EFCDRO COc1cccc(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)c1O ZINC000731360961 726846769 /nfs/dbraw/zinc/84/67/69/726846769.db2.gz RJLPOEGUCIZUBP-UHFFFAOYSA-N 1 0 332.444 2.672 20 10 EFCDRO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)Cc1ccccc1O ZINC000731843125 726941496 /nfs/dbraw/zinc/94/14/96/726941496.db2.gz XPQRFXSPUDCOET-CQSZACIVSA-N 1 0 330.403 2.711 20 10 EFCDRO COCCc1noc(C[N@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000731848336 726942431 /nfs/dbraw/zinc/94/24/31/726942431.db2.gz WPPKOTZPHJTWGX-UHFFFAOYSA-N 1 0 331.416 2.909 20 10 EFCDRO CC[NH+]1CCN(c2ccc(NC(=O)C3=CC(=O)CS3)cc2)CC1 ZINC000732263921 727012036 /nfs/dbraw/zinc/01/20/36/727012036.db2.gz YICAYRDQRBXESG-UHFFFAOYSA-N 1 0 331.441 2.848 20 10 EFCDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000732278936 727015338 /nfs/dbraw/zinc/01/53/38/727015338.db2.gz IGRQHFVLMCHRJY-UHFFFAOYSA-N 1 0 333.413 2.596 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)CCn2cc(Br)cn2)cc1 ZINC000732408516 727069894 /nfs/dbraw/zinc/06/98/94/727069894.db2.gz LVZRQLLEUDYXFY-UHFFFAOYSA-N 1 0 337.265 2.844 20 10 EFCDRO CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000732456273 727086372 /nfs/dbraw/zinc/08/63/72/727086372.db2.gz FZWMGBNREVFITL-SFHVURJKSA-N 1 0 344.503 2.741 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(OCC(N)=O)c(OC)c1)c1ccccc1O ZINC000155404682 727140790 /nfs/dbraw/zinc/14/07/90/727140790.db2.gz AURFZGIODLXRQI-HNNXBMFYSA-N 1 0 344.411 2.506 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccnc1 ZINC000732917484 727308004 /nfs/dbraw/zinc/30/80/04/727308004.db2.gz VCLODLUIAYSGST-YJBOKZPZSA-N 1 0 338.455 2.634 20 10 EFCDRO O=C(NCc1ccc(O)cc1O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000910946562 727475540 /nfs/dbraw/zinc/47/55/40/727475540.db2.gz QDGQAFVABOOVAT-SFHVURJKSA-N 1 0 340.423 2.594 20 10 EFCDRO CCSc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000911666571 727576632 /nfs/dbraw/zinc/57/66/32/727576632.db2.gz IWBDLBBFNFFQKL-INIZCTEOSA-N 1 0 344.484 2.689 20 10 EFCDRO CSc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)o1 ZINC000911668558 727576793 /nfs/dbraw/zinc/57/67/93/727576793.db2.gz ZVFNFMIBCJVLIH-HNNXBMFYSA-N 1 0 333.457 2.806 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000916574278 727697740 /nfs/dbraw/zinc/69/77/40/727697740.db2.gz YFSXPDGTRCDEFW-FUHWJXTLSA-N 1 0 330.476 2.521 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C[C@H](O)COCc2ccco2)C2CC2)cc1 ZINC000917014231 727754932 /nfs/dbraw/zinc/75/49/32/727754932.db2.gz PDLLNYRUNLIEBA-IBGZPJMESA-N 1 0 344.455 2.888 20 10 EFCDRO C[C@@H]1CCCN(C(=O)C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000917073916 727763435 /nfs/dbraw/zinc/76/34/35/727763435.db2.gz HRKXDVCPVBLQMI-MRXNPFEDSA-N 1 0 329.488 2.976 20 10 EFCDRO C[C@@H]1[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCC[N@@H+]1CC1CC1 ZINC000994497654 727772100 /nfs/dbraw/zinc/77/21/00/727772100.db2.gz QORRCBGRFVLTGX-MLGOLLRUSA-N 1 0 343.431 2.842 20 10 EFCDRO C[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCC[N@@H+]1CC1CC1 ZINC000994497656 727772128 /nfs/dbraw/zinc/77/21/28/727772128.db2.gz QORRCBGRFVLTGX-WBMJQRKESA-N 1 0 343.431 2.842 20 10 EFCDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCCSc2nccs2)C1 ZINC000154305677 727782097 /nfs/dbraw/zinc/78/20/97/727782097.db2.gz AUXNFLFPFQTQGB-STQMWFEESA-N 1 0 342.534 2.797 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+]C2CCC(O)CC2)ccc1N1CCCCC1 ZINC000913169478 727791588 /nfs/dbraw/zinc/79/15/88/727791588.db2.gz XKADEZWOZOEIOA-UHFFFAOYSA-N 1 0 333.432 2.978 20 10 EFCDRO COCC(=O)NC1CC[NH+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000917456450 727810089 /nfs/dbraw/zinc/81/00/89/727810089.db2.gz AVWUVUBRWZWFNJ-UHFFFAOYSA-N 1 0 348.487 2.725 20 10 EFCDRO C[C@H]1C[C@H](NC(=O)NCCCSc2nccs2)C[N@@H+]1C1CC1 ZINC000154409565 727811625 /nfs/dbraw/zinc/81/16/25/727811625.db2.gz AJCSELMRQVEGLZ-RYUDHWBXSA-N 1 0 340.518 2.550 20 10 EFCDRO Cc1ccc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c(O)c1O ZINC000182991937 727919858 /nfs/dbraw/zinc/91/98/58/727919858.db2.gz SYTFCKUEXSLXEG-CQSZACIVSA-N 1 0 328.412 2.657 20 10 EFCDRO Cc1noc(C)c1CN1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000164217249 727920239 /nfs/dbraw/zinc/92/02/39/727920239.db2.gz SMRDWPVNQPGXEF-UHFFFAOYSA-N 1 0 329.444 2.932 20 10 EFCDRO Cc1cc(C)c(O)c(C[N@H+](C)CCN2C(=O)c3ccccc3C2=O)c1 ZINC000164607819 727961842 /nfs/dbraw/zinc/96/18/42/727961842.db2.gz KBIDKDPHRNJDBL-UHFFFAOYSA-N 1 0 338.407 2.737 20 10 EFCDRO CC[N@H+](CCCC(=O)OC)Cc1cc(Br)ccc1O ZINC000076118567 727994709 /nfs/dbraw/zinc/99/47/09/727994709.db2.gz LJHGFLPKLIUVBK-UHFFFAOYSA-N 1 0 330.222 2.930 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056358128 728009992 /nfs/dbraw/zinc/00/99/92/728009992.db2.gz WMZGLHSTZJRZBO-UHFFFAOYSA-N 1 0 332.492 2.626 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCc2ccccc2F)c1 ZINC000182338785 728092602 /nfs/dbraw/zinc/09/26/02/728092602.db2.gz ZAXFQGREWAUQTG-GFCCVEGCSA-N 1 0 332.375 2.507 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000182372712 728120830 /nfs/dbraw/zinc/12/08/30/728120830.db2.gz XWYLTLDENHAEPM-JTQLQIEISA-N 1 0 336.338 2.968 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2C)c1 ZINC000182428756 728148462 /nfs/dbraw/zinc/14/84/62/728148462.db2.gz SMJGMRVCASVZSJ-CABCVRRESA-N 1 0 331.412 2.800 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)c1 ZINC000182453378 728171026 /nfs/dbraw/zinc/17/10/26/728171026.db2.gz PJSGWAYPXKKFOJ-ZDUSSCGKSA-N 1 0 339.395 2.952 20 10 EFCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CN(Cc3ccccc3)CCO1)CC2 ZINC000382418553 728242383 /nfs/dbraw/zinc/24/23/83/728242383.db2.gz AWDTVZCAYPPGBX-RTBURBONSA-N 1 0 338.451 2.870 20 10 EFCDRO CCOc1ccc(O)c(C[NH+]2CCN(c3ccc(O)cc3)CC2)c1 ZINC000157923409 728252252 /nfs/dbraw/zinc/25/22/52/728252252.db2.gz QMSKDESPPVVALF-UHFFFAOYSA-N 1 0 328.412 2.819 20 10 EFCDRO Oc1ccc(Br)cc1C[NH2+]CCOCC(F)(F)F ZINC000227441026 728333420 /nfs/dbraw/zinc/33/34/20/728333420.db2.gz FCHLHNJWRIOEQW-UHFFFAOYSA-N 1 0 328.128 2.823 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCCC[NH+]2CCCCC2)c1 ZINC000171416314 728534455 /nfs/dbraw/zinc/53/44/55/728534455.db2.gz FZRWWZJIZFXLRB-CQSZACIVSA-N 1 0 335.448 2.637 20 10 EFCDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000172549203 728595508 /nfs/dbraw/zinc/59/55/08/728595508.db2.gz XRRWCACISKKYCQ-LJQANCHMSA-N 1 0 344.503 2.768 20 10 EFCDRO COc1ccc(OC)c([C@H](O)C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000075735020 728595563 /nfs/dbraw/zinc/59/55/63/728595563.db2.gz INUASOGCHCJMAA-GOSISDBHSA-N 1 0 330.428 2.593 20 10 EFCDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000919899269 729108537 /nfs/dbraw/zinc/10/85/37/729108537.db2.gz XNOLRGQTTPSITO-BBWFWOEESA-N 1 0 346.519 2.918 20 10 EFCDRO CC(C)[C@H](C(=O)NCc1ccc(N(C)C)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000921202826 729270386 /nfs/dbraw/zinc/27/03/86/729270386.db2.gz GXVLFSJLZJQKNB-JTDSTZFVSA-N 1 0 347.503 2.503 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)c3ccon3)C2)cc1C ZINC000994789761 729527747 /nfs/dbraw/zinc/52/77/47/729527747.db2.gz HQYNVPMQMVORSQ-CVEARBPZSA-N 1 0 343.427 2.680 20 10 EFCDRO CCC[NH+]1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000179495171 729568708 /nfs/dbraw/zinc/56/87/08/729568708.db2.gz UDWABEPZBQQSHQ-UHFFFAOYSA-N 1 0 343.265 2.691 20 10 EFCDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180696755 729765350 /nfs/dbraw/zinc/76/53/50/729765350.db2.gz XUARGFJYZVYYTL-OCESRQBRSA-N 1 0 346.471 2.984 20 10 EFCDRO C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001593258237 994540886 /nfs/dbraw/zinc/54/08/86/994540886.db2.gz YLEFDEALVDRLCU-UKRRQHHQSA-N 1 0 332.444 2.863 20 10 EFCDRO C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cc(C(=O)[O-])ccc1O ZINC001593304928 994756958 /nfs/dbraw/zinc/75/69/58/994756958.db2.gz SFKINOJGRBPMKO-LBPRGKRZSA-N 1 0 326.396 2.587 20 10 EFCDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(C)ccc2O)cc1OC ZINC000873191721 1126119737 /nfs/dbraw/zinc/11/97/37/1126119737.db2.gz SOKLOUVSKNXLPJ-HXUWFJFHSA-N 1 0 345.439 2.801 20 10 EFCDRO CC(=O)c1cc(F)cc(C[NH2+]C2(Cc3cn[nH]n3)CCCCC2)c1O ZINC001575168101 1088282365 /nfs/dbraw/zinc/28/23/65/1088282365.db2.gz UDPKHQIXQCSCBJ-UHFFFAOYSA-N 1 0 346.406 2.887 20 10 EFCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](c2cnn[nH]2)C2CCOCC2)c1 ZINC001575454299 1088479897 /nfs/dbraw/zinc/47/98/97/1088479897.db2.gz NCMNQZOCIQDWRI-GOSISDBHSA-N 1 0 330.432 2.891 20 10 EFCDRO C[C@@H](NC(=O)NCC[C@H]1CCC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC001576207614 1089000413 /nfs/dbraw/zinc/00/04/13/1089000413.db2.gz PMPKJCBSZPXSEZ-CVEARBPZSA-N 1 0 332.492 2.893 20 10 EFCDRO C[C@H](NC(=O)NCC[C@@H]1CCC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC001576207641 1089001224 /nfs/dbraw/zinc/00/12/24/1089001224.db2.gz PMPKJCBSZPXSEZ-JKSUJKDBSA-N 1 0 332.492 2.893 20 10 EFCDRO C[C@@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccc(N(C)C)cc1 ZINC001576224051 1089025675 /nfs/dbraw/zinc/02/56/75/1089025675.db2.gz DEZIITLAPSJXNS-OAHLLOKOSA-N 1 0 337.467 2.932 20 10 EFCDRO CCCCn1c([C@H]2CCC[NH2+]C2)nnc1N(C)Cc1ccccc1O ZINC001577478417 1089997303 /nfs/dbraw/zinc/99/73/03/1089997303.db2.gz VYDBPZYCTOOXEE-HNNXBMFYSA-N 1 0 343.475 2.887 20 10 EFCDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@]1(c2ccccc2)C[C@H]([NH3+])C1 ZINC001577939396 1090219391 /nfs/dbraw/zinc/21/93/91/1090219391.db2.gz HCKPATYYLJQPIL-SGNKCFNYSA-N 1 0 345.439 2.553 20 10 EFCDRO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CC2([NH3+])CC2)cc1 ZINC001578426205 1090369120 /nfs/dbraw/zinc/36/91/20/1090369120.db2.gz YVZITCKFJCVCQS-UHFFFAOYSA-N 1 0 329.366 2.525 20 10 EFCDRO CN(C)c1ccc(N(Cc2ccccn2)C(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC001578427213 1090369141 /nfs/dbraw/zinc/36/91/41/1090369141.db2.gz FGXSVNDMTIAVFQ-MRXNPFEDSA-N 1 0 336.439 2.728 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2nccc3ccsc32)cc1 ZINC001578424859 1090369555 /nfs/dbraw/zinc/36/95/55/1090369555.db2.gz ZLWDTLWSCQATEN-OAHLLOKOSA-N 1 0 340.452 2.792 20 10 EFCDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC001578489794 1090384938 /nfs/dbraw/zinc/38/49/38/1090384938.db2.gz MHFJGHMTSHXRAJ-HXUWFJFHSA-N 1 0 337.467 2.815 20 10 EFCDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1 ZINC001578664440 1090416137 /nfs/dbraw/zinc/41/61/37/1090416137.db2.gz YAKFNGJIOFGCIV-INIZCTEOSA-N 1 0 339.439 2.588 20 10 EFCDRO COc1cc(C)cc(CN2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1O ZINC001579145844 1090525903 /nfs/dbraw/zinc/52/59/03/1090525903.db2.gz XTYKMZHWDWRPKA-DLBZAZTESA-N 1 0 330.403 2.775 20 10 EFCDRO COc1cccc(C[C@H]([NH3+])C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC001579273464 1090574390 /nfs/dbraw/zinc/57/43/90/1090574390.db2.gz UPIHSCUAAWOGIE-LIRRHRJNSA-N 1 0 341.455 2.508 20 10 EFCDRO Cc1cc(C(=O)NCCOCCC[NH3+])c(C)n1-c1ccc(Cl)cc1 ZINC001579564282 1090634677 /nfs/dbraw/zinc/63/46/77/1090634677.db2.gz XKJBSVKWQHYZQW-UHFFFAOYSA-N 1 0 349.862 2.843 20 10 EFCDRO Cc1cc(CCNC(=O)C[C@@H](N)C(F)F)c(C)n1-c1ccccc1 ZINC001579592489 1090638695 /nfs/dbraw/zinc/63/86/95/1090638695.db2.gz CRBAHLIKMFTAPV-MRXNPFEDSA-N 1 0 335.398 2.735 20 10 EFCDRO Cc1cc(CNC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001579601980 1090640192 /nfs/dbraw/zinc/64/01/92/1090640192.db2.gz NIDWMKKSDURZLE-RDTXWAMCSA-N 1 0 340.471 2.830 20 10 EFCDRO Cc1cc(CNC(=O)NC[C@@H]2CCC[NH2+]C2)c(C)n1-c1ccccc1 ZINC001579602126 1090640376 /nfs/dbraw/zinc/64/03/76/1090640376.db2.gz UWYVJPPNRYNHSN-QGZVFWFLSA-N 1 0 340.471 2.893 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC1([NH3+])CCCCC1 ZINC001579616872 1090644093 /nfs/dbraw/zinc/64/40/93/1090644093.db2.gz HJGXMKNHSYEBMS-INIZCTEOSA-N 1 0 346.519 2.953 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC001579617959 1090644592 /nfs/dbraw/zinc/64/45/92/1090644592.db2.gz XIYVHEMQJOATPW-VQIMIIECSA-N 1 0 346.519 2.631 20 10 EFCDRO Cc1ccc(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)c(O)c1O ZINC001579661081 1090655274 /nfs/dbraw/zinc/65/52/74/1090655274.db2.gz FOEXEFCANJSIPP-KRWDZBQOSA-N 1 0 336.391 2.989 20 10 EFCDRO Cc1cc(CNC(=O)NC(C)(C)C[NH3+])c(C)n1-c1cccc(C)c1 ZINC001579747206 1090677687 /nfs/dbraw/zinc/67/76/87/1090677687.db2.gz JZPFKQSUSOXVDZ-UHFFFAOYSA-N 1 0 328.460 2.939 20 10 EFCDRO [NH3+][C@@H](Cc1cc2ccccc2o1)C(=O)NCc1cc(Cl)ccc1O ZINC001580134095 1090785503 /nfs/dbraw/zinc/78/55/03/1090785503.db2.gz HWQPEYKQUAVDDT-HNNXBMFYSA-N 1 0 344.798 2.978 20 10 EFCDRO [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC001580185315 1090805446 /nfs/dbraw/zinc/80/54/46/1090805446.db2.gz WRPLCWPMVXOXPM-DOTOQJQBSA-N 1 0 342.842 2.903 20 10 EFCDRO Nc1ccsc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001580464913 1090910030 /nfs/dbraw/zinc/91/00/30/1090910030.db2.gz XHHNANRDRUAVMH-UHFFFAOYSA-N 1 0 339.411 2.735 20 10 EFCDRO C/C=C(\CC)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000588565862 1093211454 /nfs/dbraw/zinc/21/14/54/1093211454.db2.gz PPYGMTVSWAJKFV-HAVNEIBRSA-N 1 0 345.487 2.680 20 10 EFCDRO CC[C@@H]([NH2+][C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1ccccc1O ZINC001590464971 1093435168 /nfs/dbraw/zinc/43/51/68/1093435168.db2.gz RXTIBIUPCQFOGM-DOTOQJQBSA-N 1 0 335.411 2.780 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(OC)c1)c1ccccc1O ZINC001590467218 1093438099 /nfs/dbraw/zinc/43/80/99/1093438099.db2.gz SVIKNZSYGFWZMM-HNNXBMFYSA-N 1 0 339.399 2.822 20 10 EFCDRO CCCN(Cc1csc(-c2nn[nH]n2)c1)c1ccc(C[NH3+])cc1 ZINC001590632758 1093527032 /nfs/dbraw/zinc/52/70/32/1093527032.db2.gz URYCWIPPEGVWOP-UHFFFAOYSA-N 1 0 328.445 2.804 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c1 ZINC001592186741 1094024159 /nfs/dbraw/zinc/02/41/59/1094024159.db2.gz ZQGRDOKPJSLCAC-LLVKDONJSA-N 1 0 327.363 2.871 20 10 EFCDRO Oc1ccc(F)cc1C[NH2+]C1(c2ccc(-c3nn[nH]n3)cc2)CCC1 ZINC001593539732 1094352371 /nfs/dbraw/zinc/35/23/71/1094352371.db2.gz CRKCEJQBICKLIK-UHFFFAOYSA-N 1 0 339.374 2.880 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c1O ZINC000780893708 1094587989 /nfs/dbraw/zinc/58/79/89/1094587989.db2.gz ZDOSMRNFMYXRIB-QWRGUYRKSA-N 1 0 344.249 2.756 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)cc1C ZINC000782871174 1096180306 /nfs/dbraw/zinc/18/03/06/1096180306.db2.gz NKCXPCWGUZSYRL-KRWDZBQOSA-N 1 0 331.460 2.587 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)c1 ZINC001605876028 1097262235 /nfs/dbraw/zinc/26/22/35/1097262235.db2.gz ZIZLSOYDRNUITA-MLGOLLRUSA-N 1 0 335.411 2.699 20 10 EFCDRO Cc1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(Cl)c2)c1O ZINC001605914836 1097274943 /nfs/dbraw/zinc/27/49/43/1097274943.db2.gz WZOPPELPABNDGT-UHFFFAOYSA-N 1 0 329.791 2.824 20 10 EFCDRO Cc1cc(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)c(C)n1-c1ccccc1 ZINC001607648727 1097689104 /nfs/dbraw/zinc/68/91/04/1097689104.db2.gz UWFKLZCZFNKACK-UHFFFAOYSA-N 1 0 341.455 2.733 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1cc(F)ccc1O ZINC001609124970 1098158230 /nfs/dbraw/zinc/15/82/30/1098158230.db2.gz ZXIZVQOCPUVJTD-VIFPVBQESA-N 1 0 331.326 2.701 20 10 EFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000007241680 1098246754 /nfs/dbraw/zinc/24/67/54/1098246754.db2.gz KWTUAKRBTLANCO-ZWKOTPCHSA-N 1 0 329.488 2.881 20 10 EFCDRO O=C(c1cccc(O)c1O)N1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001269608107 1098286360 /nfs/dbraw/zinc/28/63/60/1098286360.db2.gz UEEDRQGTEIHVAF-FQEVSTJZSA-N 1 0 344.455 2.969 20 10 EFCDRO Oc1cc(O)c(CCNc2cc(N3CCCCC3)cc[nH+]2)cc1O ZINC001168005870 1100118514 /nfs/dbraw/zinc/11/85/14/1100118514.db2.gz HDCNEIBTLTUHIX-UHFFFAOYSA-N 1 0 329.400 2.843 20 10 EFCDRO C[C@@H]([NH2+]CCN1CCN(c2ccccc2)CC1)c1ccccc1O ZINC000783499120 1100280647 /nfs/dbraw/zinc/28/06/47/1100280647.db2.gz LIKLFBHJFYOPMZ-QGZVFWFLSA-N 1 0 325.456 2.865 20 10 EFCDRO CCc1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncc1F ZINC001167427140 1101585545 /nfs/dbraw/zinc/58/55/45/1101585545.db2.gz ZPMSWSMBVARYMN-UHFFFAOYSA-N 1 0 329.423 2.542 20 10 EFCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(N3CCOCC3)CCOCC2)c(O)c1 ZINC000840780716 1101676109 /nfs/dbraw/zinc/67/61/09/1101676109.db2.gz NENKSULDJKSHMA-QGZVFWFLSA-N 1 0 348.487 2.541 20 10 EFCDRO C[NH2+]C[C@@H]1CCCN(Cc2cc(Br)c(C)cc2O)C1 ZINC001205018603 1101704119 /nfs/dbraw/zinc/70/41/19/1101704119.db2.gz VNNMNTHVRGEDJD-LBPRGKRZSA-N 1 0 327.266 2.895 20 10 EFCDRO C[NH2+]C[C@H]1CCCN(Cc2cc(Br)c(C)cc2O)C1 ZINC001205018602 1101705026 /nfs/dbraw/zinc/70/50/26/1101705026.db2.gz VNNMNTHVRGEDJD-GFCCVEGCSA-N 1 0 327.266 2.895 20 10 EFCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001140098679 1102120759 /nfs/dbraw/zinc/12/07/59/1102120759.db2.gz KSBBGBOQKNENLI-CQSZACIVSA-N 1 0 332.213 2.841 20 10 EFCDRO C[C@H]([NH2+]Cc1c(Br)cnn1C)c1cc(F)ccc1O ZINC000693441036 1102300884 /nfs/dbraw/zinc/30/08/84/1102300884.db2.gz SBJIAXRSVXKNSV-QMMMGPOBSA-N 1 0 328.185 2.878 20 10 EFCDRO CCOc1cccc(C[NH2+]Cc2c(Br)cnn2C)c1O ZINC000693466551 1102482447 /nfs/dbraw/zinc/48/24/47/1102482447.db2.gz YNJZACYABJEKFL-UHFFFAOYSA-N 1 0 340.221 2.577 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@H](CN)C2CCCC2)c1O ZINC000841088503 1102956628 /nfs/dbraw/zinc/95/66/28/1102956628.db2.gz YKCCCAKWXVSZII-CYBMUJFWSA-N 1 0 343.265 2.770 20 10 EFCDRO [NH3+]C[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CCCO1 ZINC000841100941 1102976153 /nfs/dbraw/zinc/97/61/53/1102976153.db2.gz PLQFWSIXFZNOON-IBGZPJMESA-N 1 0 342.439 2.521 20 10 EFCDRO COc1ccc(NC(=S)NCc2cc(N(C)C)cc[nH+]2)cc1F ZINC000905617632 1103420648 /nfs/dbraw/zinc/42/06/48/1103420648.db2.gz GWELXDVEUMZLNG-UHFFFAOYSA-N 1 0 334.420 2.782 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)C[C@H](C)OC)cc1C ZINC001661909702 1103498901 /nfs/dbraw/zinc/49/89/01/1103498901.db2.gz FNCJHKFNHZPJJQ-FUHWJXTLSA-N 1 0 348.487 2.899 20 10 EFCDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000729593764 1103716998 /nfs/dbraw/zinc/71/69/98/1103716998.db2.gz MHALOHRYTRNAPW-SFHVURJKSA-N 1 0 344.503 2.818 20 10 EFCDRO C[NH+](C)C1(CNC(=O)NCCc2ccc(N)cc2)CCCCCC1 ZINC000841646000 1104248490 /nfs/dbraw/zinc/24/84/90/1104248490.db2.gz CSRPSCPXFQSUFW-UHFFFAOYSA-N 1 0 332.492 2.765 20 10 EFCDRO [NH3+]C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C1CCCCC1 ZINC000841710467 1104664965 /nfs/dbraw/zinc/66/49/65/1104664965.db2.gz WKECQCDSHBWAFB-IBGZPJMESA-N 1 0 344.503 2.994 20 10 EFCDRO CCCN(C(=O)NCc1ccc(N2CCCC2)cc1)C1CC[NH2+]CC1 ZINC000841710546 1104665311 /nfs/dbraw/zinc/66/53/11/1104665311.db2.gz YMRYNARSWLKHNE-UHFFFAOYSA-N 1 0 344.503 2.960 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000841719242 1104744589 /nfs/dbraw/zinc/74/45/89/1104744589.db2.gz HBFOANCWCNTLNO-NVXWUHKLSA-N 1 0 332.492 2.720 20 10 EFCDRO C[C@@H]1COCCN1CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000729678738 1104768990 /nfs/dbraw/zinc/76/89/90/1104768990.db2.gz IERRUSFVPAWRHY-MRXNPFEDSA-N 1 0 326.440 2.870 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3ccns3)C2)cc1C ZINC000988919218 1105379177 /nfs/dbraw/zinc/37/91/77/1105379177.db2.gz WQAFXVAIKQVZNM-UKRRQHHQSA-N 1 0 345.468 2.853 20 10 EFCDRO C[C@@H]([NH2+]CCc1cnn(C)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000127822308 1105379415 /nfs/dbraw/zinc/37/94/15/1105379415.db2.gz OIKQRIDPQBEJJO-CQSZACIVSA-N 1 0 348.878 2.803 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3cc(F)c[nH]3)C2)cc1C ZINC000989204917 1105608300 /nfs/dbraw/zinc/60/83/00/1105608300.db2.gz BKMWKRDBUWZDQO-XJKSGUPXSA-N 1 0 345.418 2.864 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](Cc3nc(C)no3)C2)c(O)c1 ZINC000897579275 1105776777 /nfs/dbraw/zinc/77/67/77/1105776777.db2.gz SJSCHVQSEDOMJW-CQSZACIVSA-N 1 0 331.416 2.937 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3conc3C)C2)cc1C ZINC000989392623 1105851145 /nfs/dbraw/zinc/85/11/45/1105851145.db2.gz VMLONHXNVYTANR-CJNGLKHVSA-N 1 0 343.427 2.693 20 10 EFCDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCCc1ccc(N)cc1 ZINC000841955846 1106041528 /nfs/dbraw/zinc/04/15/28/1106041528.db2.gz PODZUWXEVLDZJQ-UHFFFAOYSA-N 1 0 346.500 2.646 20 10 EFCDRO CC(C)[N@H+](C)CC1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841962049 1106055735 /nfs/dbraw/zinc/05/57/35/1106055735.db2.gz MMNHWNFETRHPTD-UHFFFAOYSA-N 1 0 332.492 2.573 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000841980843 1106075992 /nfs/dbraw/zinc/07/59/92/1106075992.db2.gz IETMPLQLLPZLQY-SJORKVTESA-N 1 0 332.492 2.943 20 10 EFCDRO CN(C)c1ccc(CN(C(=O)NCCC2=CC[NH2+]CC2)C2CC2)cc1 ZINC000841988693 1106113349 /nfs/dbraw/zinc/11/33/49/1106113349.db2.gz JUEIMQMYZZSRFK-UHFFFAOYSA-N 1 0 342.487 2.736 20 10 EFCDRO COc1cccc(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1O ZINC000841998428 1106127602 /nfs/dbraw/zinc/12/76/02/1106127602.db2.gz VAATUNDJZVIRGC-INIZCTEOSA-N 1 0 343.427 2.680 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)c1 ZINC000897895369 1106135223 /nfs/dbraw/zinc/13/52/23/1106135223.db2.gz YFTKKEGDMMJJES-UHFFFAOYSA-N 1 0 348.443 2.844 20 10 EFCDRO C[C@H](CCCC[NH3+])NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841995722 1106137896 /nfs/dbraw/zinc/13/78/96/1106137896.db2.gz OZSVYYDJJIUHRP-OAHLLOKOSA-N 1 0 332.492 2.944 20 10 EFCDRO COc1ccc(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)c(O)c1 ZINC000841995325 1106138106 /nfs/dbraw/zinc/13/81/06/1106138106.db2.gz GTOCRGOAELSGIE-KRWDZBQOSA-N 1 0 343.427 2.680 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000842014986 1106178239 /nfs/dbraw/zinc/17/82/39/1106178239.db2.gz KISFGJNBBQYZDR-BHYGNILZSA-N 1 0 331.460 2.702 20 10 EFCDRO C[C@@H]([NH2+]CCN1CCCOCC1)c1ccc(Br)cc1O ZINC000903228938 1107079113 /nfs/dbraw/zinc/07/91/13/1107079113.db2.gz UBXPKNKUWUBKTM-GFCCVEGCSA-N 1 0 343.265 2.528 20 10 EFCDRO CC[C@H](F)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001089067992 1107403786 /nfs/dbraw/zinc/40/37/86/1107403786.db2.gz GHOHNYQQTVMGAB-ZLDLUXBVSA-N 1 0 349.410 2.790 20 10 EFCDRO CC[C@H](OC)C(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000990196817 1107466719 /nfs/dbraw/zinc/46/67/19/1107466719.db2.gz WBULWTMCZNDQRS-KRWDZBQOSA-N 1 0 334.460 2.509 20 10 EFCDRO CC[C@@H](OC)C(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000990196818 1107466758 /nfs/dbraw/zinc/46/67/58/1107466758.db2.gz WBULWTMCZNDQRS-QGZVFWFLSA-N 1 0 334.460 2.509 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCCOC3)CC2)cc1C ZINC000990235560 1107527195 /nfs/dbraw/zinc/52/71/95/1107527195.db2.gz VRLPWFKPYFZLBC-KRWDZBQOSA-N 1 0 346.471 2.511 20 10 EFCDRO Cc1cc(Br)cc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1O ZINC000904420099 1107931774 /nfs/dbraw/zinc/93/17/74/1107931774.db2.gz AYAUCBHVUJIEGG-WCQYABFASA-N 1 0 325.250 2.504 20 10 EFCDRO CC(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(O)ccc1O ZINC001272385834 1108147653 /nfs/dbraw/zinc/14/76/53/1108147653.db2.gz FUCZOZPXRWETGN-LJQANCHMSA-N 1 0 332.444 2.711 20 10 EFCDRO CC(C)CN1CCC2(CC[NH+](Cc3cc(O)ccc3O)CC2)C1=O ZINC001272386293 1108148758 /nfs/dbraw/zinc/14/87/58/1108148758.db2.gz LUKKNPIDFRUXJU-UHFFFAOYSA-N 1 0 332.444 2.568 20 10 EFCDRO CC[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(O)ccc1O ZINC001272387316 1108152381 /nfs/dbraw/zinc/15/23/81/1108152381.db2.gz WNKPBBVJPGHUQQ-KUHUBIRLSA-N 1 0 332.444 2.853 20 10 EFCDRO CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001272387332 1108152916 /nfs/dbraw/zinc/15/29/16/1108152916.db2.gz XBVNGPYSRZFDQS-MRXNPFEDSA-N 1 0 332.444 2.616 20 10 EFCDRO CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001089263371 1108303491 /nfs/dbraw/zinc/30/34/91/1108303491.db2.gz ZULNQHPNVSDFDI-HNNXBMFYSA-N 1 0 331.420 2.795 20 10 EFCDRO CCn1cc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(C)n1 ZINC000898448710 1108941698 /nfs/dbraw/zinc/94/16/98/1108941698.db2.gz VHTIJGYOMROEKH-IBGZPJMESA-N 1 0 329.492 2.670 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccc(CO)cc2)N(C)C)cc1 ZINC000898448441 1108941994 /nfs/dbraw/zinc/94/19/94/1108941994.db2.gz SGZWCYZDNOVKHX-FQEVSTJZSA-N 1 0 327.472 2.637 20 10 EFCDRO C[C@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(=O)OC(C)(C)C ZINC000898448785 1108942812 /nfs/dbraw/zinc/94/28/12/1108942812.db2.gz XDHWTHYXVSPHNI-WMLDXEAASA-N 1 0 335.492 2.675 20 10 EFCDRO COC(=O)c1coc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000898449402 1108943113 /nfs/dbraw/zinc/94/31/13/1108943113.db2.gz DQWZTYSFWQEHPA-SFHVURJKSA-N 1 0 345.443 2.525 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1O ZINC000898451024 1108944219 /nfs/dbraw/zinc/94/42/19/1108944219.db2.gz GZYOYWLBKJJGGX-GOSISDBHSA-N 1 0 343.471 2.859 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2c(C3CC3)cnn2C)N(C)C)cc1 ZINC000898447773 1108949131 /nfs/dbraw/zinc/94/91/31/1108949131.db2.gz LURBBBKMWGSWDI-IBGZPJMESA-N 1 0 341.503 2.756 20 10 EFCDRO CC(C)N(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CC1 ZINC000899101276 1109202066 /nfs/dbraw/zinc/20/20/66/1109202066.db2.gz HWQJDZQZKJTZSK-SFHVURJKSA-N 1 0 332.492 2.938 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H](C3CC3)C2)[NH+](C)C)cc1 ZINC000899101407 1109202123 /nfs/dbraw/zinc/20/21/23/1109202123.db2.gz HSYSGEBJMRJYKD-MJGOQNOKSA-N 1 0 344.503 2.797 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@H](C3CC3)C2)[NH+](C)C)cc1 ZINC000899101405 1109202243 /nfs/dbraw/zinc/20/22/43/1109202243.db2.gz HSYSGEBJMRJYKD-IEBWSBKVSA-N 1 0 344.503 2.797 20 10 EFCDRO C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)[C@@H]1C ZINC000899100512 1109207926 /nfs/dbraw/zinc/20/79/26/1109207926.db2.gz AKBPGGORAWEQGV-RKVPGOIHSA-N 1 0 332.492 2.795 20 10 EFCDRO C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)[C@H]1C ZINC000899100516 1109208323 /nfs/dbraw/zinc/20/83/23/1109208323.db2.gz AKBPGGORAWEQGV-VKJFTORMSA-N 1 0 332.492 2.795 20 10 EFCDRO C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)[C@@H]1C ZINC000899100510 1109208409 /nfs/dbraw/zinc/20/84/09/1109208409.db2.gz AKBPGGORAWEQGV-IIDMSEBBSA-N 1 0 332.492 2.795 20 10 EFCDRO CC[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899100700 1109208556 /nfs/dbraw/zinc/20/85/56/1109208556.db2.gz BUZFNOAXXVZPFN-CRAIPNDOSA-N 1 0 332.492 2.797 20 10 EFCDRO OCCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000924751258 1109229951 /nfs/dbraw/zinc/22/99/51/1109229951.db2.gz KAXWBHRNCYXYLL-ICSRJNTNSA-N 1 0 332.488 2.944 20 10 EFCDRO OCCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000924751264 1109229963 /nfs/dbraw/zinc/22/99/63/1109229963.db2.gz KAXWBHRNCYXYLL-QUCCMNQESA-N 1 0 332.488 2.944 20 10 EFCDRO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC001076623377 1109967227 /nfs/dbraw/zinc/96/72/27/1109967227.db2.gz SPTMVWLBFBNLDF-GOEBONIOSA-N 1 0 343.431 2.795 20 10 EFCDRO O=C1NC(=S)S/C1=C/c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000914702380 1111333844 /nfs/dbraw/zinc/33/38/44/1111333844.db2.gz CWOMMMHLGMFEST-SDNWHVSQSA-N 1 0 334.466 2.650 20 10 EFCDRO O=C1N(Cc2ccncc2)CC[C@]12CCC[N@H+]2Cc1ccccc1O ZINC001272618442 1111752543 /nfs/dbraw/zinc/75/25/43/1111752543.db2.gz IATWWHMVJKKSBY-HXUWFJFHSA-N 1 0 337.423 2.554 20 10 EFCDRO COCCCN1CC[C@]2(CCC[N@H+](Cc3ccccc3O)CC2)C1=O ZINC001272619539 1111755330 /nfs/dbraw/zinc/75/53/30/1111755330.db2.gz WSQPMDNNSIXLMI-HXUWFJFHSA-N 1 0 346.471 2.633 20 10 EFCDRO COCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C)ccc1O ZINC001272623098 1111761168 /nfs/dbraw/zinc/76/11/68/1111761168.db2.gz WTYFJFUDUOUQPC-FQEVSTJZSA-N 1 0 346.471 2.694 20 10 EFCDRO COC(C)(C)CN1CC[C@@]2(CC[N@H+](Cc3cc(C)ccc3O)C2)C1=O ZINC001272623046 1111761363 /nfs/dbraw/zinc/76/13/63/1111761363.db2.gz VRINCSDDHFPLNM-HXUWFJFHSA-N 1 0 346.471 2.550 20 10 EFCDRO COc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCC(C)C)CC2)c(O)c1 ZINC001272625307 1111764376 /nfs/dbraw/zinc/76/43/76/1111764376.db2.gz KFOBQABEEMSNMY-KRWDZBQOSA-N 1 0 346.471 2.775 20 10 EFCDRO CC[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(OC)cc1O)CC2 ZINC001272625603 1111765895 /nfs/dbraw/zinc/76/58/95/1111765895.db2.gz MWCFSEWULKGQBD-PBHICJAKSA-N 1 0 346.471 2.918 20 10 EFCDRO CC[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(OC)cc2O)C1=O ZINC001272625884 1111767268 /nfs/dbraw/zinc/76/72/68/1111767268.db2.gz PLZWIMCGDPPCMY-KUHUBIRLSA-N 1 0 332.444 2.766 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@]3(CCN(C4CCCC4)C3=O)C2)c(O)c1 ZINC001272626448 1111767592 /nfs/dbraw/zinc/76/75/92/1111767592.db2.gz XLXCGBHVQDOQRG-FQEVSTJZSA-N 1 0 344.455 2.768 20 10 EFCDRO CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC001272626484 1111768761 /nfs/dbraw/zinc/76/87/61/1111768761.db2.gz YSEGVILKYISKKX-MRXNPFEDSA-N 1 0 346.471 2.919 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@@]23CCN(C2CCCC2)C3=O)c(O)c1 ZINC001272626345 1111768795 /nfs/dbraw/zinc/76/87/95/1111768795.db2.gz WIUBSHGFZAPUKK-FQEVSTJZSA-N 1 0 344.455 2.910 20 10 EFCDRO CC[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(OC)ccc3O)C2)C1=O ZINC001272637003 1111786258 /nfs/dbraw/zinc/78/62/58/1111786258.db2.gz JBXQNJFYMQDOHZ-KUHUBIRLSA-N 1 0 332.444 2.624 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@]23CCN(C2CCCC2)C3=O)c1 ZINC001272637218 1111786285 /nfs/dbraw/zinc/78/62/85/1111786285.db2.gz KIUNERHAVDHNFH-FQEVSTJZSA-N 1 0 344.455 2.910 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC3(CCN(CC(C)C)C3=O)CC2)c1 ZINC001272639269 1111798816 /nfs/dbraw/zinc/79/88/16/1111798816.db2.gz XYQZHVNDOPHPRV-UHFFFAOYSA-N 1 0 346.471 2.871 20 10 EFCDRO CC[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(O)c(C)c1O)CC2 ZINC001272657817 1111932787 /nfs/dbraw/zinc/93/27/87/1111932787.db2.gz NPPFVIRVLCNNGJ-CJNGLKHVSA-N 1 0 346.471 2.923 20 10 EFCDRO CC[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccc(O)c(C)c3O)C2)C1=O ZINC001272658296 1111935167 /nfs/dbraw/zinc/93/51/67/1111935167.db2.gz ZKLISHXCRKVFBN-BFUOFWGJSA-N 1 0 332.444 2.629 20 10 EFCDRO Cc1c(O)ccc(C[NH+]2CCC3(CCN(CC(C)C)C3=O)CC2)c1O ZINC001272660448 1111954766 /nfs/dbraw/zinc/95/47/66/1111954766.db2.gz RWLPWEDSGQLVMV-UHFFFAOYSA-N 1 0 346.471 2.877 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000918210765 1112105456 /nfs/dbraw/zinc/10/54/56/1112105456.db2.gz UFXUBXICBFADBD-IEBWSBKVSA-N 1 0 344.503 2.959 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C(C)(C)[C@H]2CCCCO2)cc1C ZINC001127528188 1112318534 /nfs/dbraw/zinc/31/85/34/1112318534.db2.gz ATECNMTWYYEOAQ-GOSISDBHSA-N 1 0 348.487 2.805 20 10 EFCDRO CCCSCC(=O)NCCC1=CCN(c2cc(C)nc(C)n2)CC1 ZINC001089808710 1113068391 /nfs/dbraw/zinc/06/83/91/1113068391.db2.gz OIBNFOHYOQWPJM-UHFFFAOYSA-N 1 0 348.516 2.879 20 10 EFCDRO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@]12CCN(Cc1ccc(N(C)C)cc1)C2=O ZINC001272699261 1118248048 /nfs/dbraw/zinc/24/80/48/1118248048.db2.gz FAXKEVXVUGBBRY-HGHGUNKESA-N 1 0 341.499 2.976 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000182451342 1118608725 /nfs/dbraw/zinc/60/87/25/1118608725.db2.gz WLSYGACDAQBIRG-GFCCVEGCSA-N 1 0 342.395 2.893 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C(C)(F)F)CC2(C)C)cc1C ZINC000995359164 1119560698 /nfs/dbraw/zinc/56/06/98/1119560698.db2.gz UFZHKRQXIJSCRF-HNNXBMFYSA-N 1 0 340.414 2.985 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000185189301 1119850718 /nfs/dbraw/zinc/85/07/18/1119850718.db2.gz YHWFOQCOQOWNML-AWEZNQCLSA-N 1 0 349.475 2.883 20 10 EFCDRO Oc1c(CNc2ncnc3c2C[NH2+]CC3)cc(Cl)c2cccnc12 ZINC001168528653 1120271916 /nfs/dbraw/zinc/27/19/16/1120271916.db2.gz XYPRQZGPZWMLOU-UHFFFAOYSA-N 1 0 341.802 2.642 20 10 EFCDRO CCOc1cc(NC2CC[NH+](Cc3cccc(C)c3O)CC2)ncn1 ZINC000185664208 1120428554 /nfs/dbraw/zinc/42/85/54/1120428554.db2.gz MOJCPCJZYZTGCS-UHFFFAOYSA-N 1 0 342.443 2.966 20 10 EFCDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC000945219992 1120678745 /nfs/dbraw/zinc/67/87/45/1120678745.db2.gz FGZAINWRXXQWST-IUODEOHRSA-N 1 0 331.420 2.699 20 10 EFCDRO C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C1=CC[N@H+](C)CC1 ZINC000272689895 299165599 /nfs/dbraw/zinc/16/55/99/299165599.db2.gz CGKNMEQZUVFEON-INIZCTEOSA-N 1 0 342.487 2.736 20 10 EFCDRO CC[C@@H]([NH2+]CCC(=O)N(C)C)c1cc(Br)ccc1O ZINC000037751566 213165256 /nfs/dbraw/zinc/16/52/56/213165256.db2.gz LIQVEBNEDNEDQR-GFCCVEGCSA-N 1 0 329.238 2.674 20 10 EFCDRO C[C@H]([NH2+]CCCc1cnn(C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158372666 239009556 /nfs/dbraw/zinc/00/95/56/239009556.db2.gz CYFYIMBAXPGMGG-HNNXBMFYSA-N 1 0 346.450 2.679 20 10 EFCDRO Cn1ccc(/C=C2\SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)c1 ZINC000160318215 239047201 /nfs/dbraw/zinc/04/72/01/239047201.db2.gz QDVHVVKFTBSPKD-JYRVWZFOSA-N 1 0 337.514 2.814 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH+]3CCCCC3)CC2)cc1F ZINC000161504086 239071337 /nfs/dbraw/zinc/07/13/37/239071337.db2.gz GHSNIGUSLUDCIA-UHFFFAOYSA-N 1 0 335.467 2.832 20 10 EFCDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000165169594 239118464 /nfs/dbraw/zinc/11/84/64/239118464.db2.gz YLIMUXUZWNKUFG-CQSZACIVSA-N 1 0 332.423 2.730 20 10 EFCDRO Cc1nccn1CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000163103160 239103199 /nfs/dbraw/zinc/10/31/99/239103199.db2.gz OAAGBFOXEXUPTO-GOSISDBHSA-N 1 0 329.444 2.968 20 10 EFCDRO C[NH+](C)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000171632870 239153589 /nfs/dbraw/zinc/15/35/89/239153589.db2.gz JAACZHWFJXEURB-GOSISDBHSA-N 1 0 330.476 2.522 20 10 EFCDRO O=C1COc2ccccc2N1CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000174520131 239233102 /nfs/dbraw/zinc/23/31/02/239233102.db2.gz PWILVTJWHNXMOB-UHFFFAOYSA-N 1 0 338.407 2.527 20 10 EFCDRO Cc1cc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C)n1-c1ccccn1 ZINC000177183941 239363868 /nfs/dbraw/zinc/36/38/68/239363868.db2.gz MSJVUTJOPOCVGY-XJKSGUPXSA-N 1 0 338.455 2.844 20 10 EFCDRO CCCN(Cc1cn(Cc2cccnc2)nn1)c1ccc(C[NH3+])cc1 ZINC000194977801 240193545 /nfs/dbraw/zinc/19/35/45/240193545.db2.gz KORQNAPVPRHWKQ-UHFFFAOYSA-N 1 0 336.443 2.597 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000195171704 240207455 /nfs/dbraw/zinc/20/74/55/240207455.db2.gz YHBKWECEJVKZOM-WDSOQIARSA-N 1 0 327.472 2.824 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236917835 240235528 /nfs/dbraw/zinc/23/55/28/240235528.db2.gz AJBHXFDOJVJBGK-ZWNOBZJWSA-N 1 0 341.249 2.631 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C1CC[NH2+]CC1 ZINC000236915552 240236298 /nfs/dbraw/zinc/23/62/98/240236298.db2.gz YSUVLZPOJNGJGX-UHFFFAOYSA-N 1 0 341.249 2.503 20 10 EFCDRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(N)cc1)Cc1ccccc1 ZINC000236878222 240237159 /nfs/dbraw/zinc/23/71/59/240237159.db2.gz HHAAOTHJJYQSRC-FQEVSTJZSA-N 1 0 339.483 2.881 20 10 EFCDRO CCc1ccc([C@H](CNC(=O)Cc2ccc(N)cc2)[NH+](C)C)cc1 ZINC000236980257 240238834 /nfs/dbraw/zinc/23/88/34/240238834.db2.gz VXIZFQWUYTUXJY-IBGZPJMESA-N 1 0 325.456 2.793 20 10 EFCDRO Cc1cc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c(C)n1-c1ccccn1 ZINC000237500288 240243792 /nfs/dbraw/zinc/24/37/92/240243792.db2.gz MTLRFLYEYBVARP-GOEBONIOSA-N 1 0 326.444 2.689 20 10 EFCDRO Cc1cc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(C)n1-c1ccccn1 ZINC000237447307 240243905 /nfs/dbraw/zinc/24/39/05/240243905.db2.gz MTLRFLYEYBVARP-HOCLYGCPSA-N 1 0 326.444 2.689 20 10 EFCDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(C)Cc1ccccc1O ZINC000249779639 240302995 /nfs/dbraw/zinc/30/29/95/240302995.db2.gz OXEYZJYKNWNOGZ-OAGGEKHMSA-N 1 0 333.476 2.900 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1F ZINC000246008605 240263346 /nfs/dbraw/zinc/26/33/46/240263346.db2.gz STWBJCOOGUNONK-DOTOQJQBSA-N 1 0 348.466 2.517 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)CC[NH+](C)C)ccc21 ZINC000264060010 240397850 /nfs/dbraw/zinc/39/78/50/240397850.db2.gz VUIBBNRDMUXDQS-AWEZNQCLSA-N 1 0 345.487 2.975 20 10 EFCDRO COc1cccc(CNC(=O)NCC2([NH+](C)C)CCCCCC2)c1O ZINC000266703968 240486206 /nfs/dbraw/zinc/48/62/06/240486206.db2.gz PBFMUBRFYMTAJL-UHFFFAOYSA-N 1 0 349.475 2.855 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@H]1CCOC1 ZINC000268900200 240564576 /nfs/dbraw/zinc/56/45/76/240564576.db2.gz WHWABCVBEJEFBH-ANQUJSFKSA-N 1 0 336.451 2.954 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1(C(=O)OC)CCC1 ZINC000272336175 240656060 /nfs/dbraw/zinc/65/60/60/240656060.db2.gz LINVIWJNLSTHTG-SFHVURJKSA-N 1 0 346.471 2.735 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000273391884 240696797 /nfs/dbraw/zinc/69/67/97/240696797.db2.gz KVJSBXUYQFYXIH-ZIAGYGMSSA-N 1 0 345.395 2.520 20 10 EFCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCOC[C@H]3C)cc2F)C[C@H](C)O1 ZINC000279959067 240853708 /nfs/dbraw/zinc/85/37/08/240853708.db2.gz PAVRIGODEKAJAV-ZXFNITATSA-N 1 0 336.451 2.954 20 10 EFCDRO CCOCc1cc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)ccc1OC ZINC000288455337 241012423 /nfs/dbraw/zinc/01/24/23/241012423.db2.gz DIYMRRPOPIQFOU-FXAWDEMLSA-N 1 0 343.423 2.816 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1OC ZINC000290913863 241023325 /nfs/dbraw/zinc/02/33/25/241023325.db2.gz NHKBCNCTLBJNOL-YJBOKZPZSA-N 1 0 333.428 2.943 20 10 EFCDRO C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+](C2CCC2)C1 ZINC000291645809 241025783 /nfs/dbraw/zinc/02/57/83/241025783.db2.gz KGDJUSUGMMUKEM-INIZCTEOSA-N 1 0 344.503 2.768 20 10 EFCDRO Cc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1O ZINC000291654323 241027213 /nfs/dbraw/zinc/02/72/13/241027213.db2.gz UUWXQHZEJBBELG-GFCCVEGCSA-N 1 0 330.350 2.591 20 10 EFCDRO O=C(c1ccco1)N1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000296036698 241071777 /nfs/dbraw/zinc/07/17/77/241071777.db2.gz QJQSJLAKMSYCRY-HNNXBMFYSA-N 1 0 326.396 2.867 20 10 EFCDRO O=S(=O)(CCC[NH2+][C@H]1CCc2cccc(O)c21)Cc1ccccc1 ZINC000296033907 241071840 /nfs/dbraw/zinc/07/18/40/241071840.db2.gz QHTXJGRNQNIYDP-KRWDZBQOSA-N 1 0 345.464 2.974 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCS(C)(=O)=O)cc1 ZINC000296341472 241082949 /nfs/dbraw/zinc/08/29/49/241082949.db2.gz IHYMEVBPUCJXCM-UHFFFAOYSA-N 1 0 338.498 2.519 20 10 EFCDRO C[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1cc(F)ccc1O ZINC000296635015 241092655 /nfs/dbraw/zinc/09/26/55/241092655.db2.gz BQKRKWNNIXNPTO-LKSINWNRSA-N 1 0 329.437 2.785 20 10 EFCDRO O=C1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CN1c1ccccc1F ZINC000296636124 241092732 /nfs/dbraw/zinc/09/27/32/241092732.db2.gz BRCZMSYEGRUILJ-HIFRSBDPSA-N 1 0 326.371 2.914 20 10 EFCDRO O=C1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CN1c1ccccc1F ZINC000296636128 241092763 /nfs/dbraw/zinc/09/27/63/241092763.db2.gz BRCZMSYEGRUILJ-UKRRQHHQSA-N 1 0 326.371 2.914 20 10 EFCDRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2Cc2ccc(N(C)C)c(C)c2)O1 ZINC000294307835 241041041 /nfs/dbraw/zinc/04/10/41/241041041.db2.gz XHAHCNZEMULSNW-OAOYMFHYSA-N 1 0 346.471 2.744 20 10 EFCDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000295776050 241062185 /nfs/dbraw/zinc/06/21/85/241062185.db2.gz APXGLVRPHFAVMJ-DOTOQJQBSA-N 1 0 329.396 2.720 20 10 EFCDRO COC[C@H](CCO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295770256 241062343 /nfs/dbraw/zinc/06/23/43/241062343.db2.gz QVISUKWDHCQQTN-INIZCTEOSA-N 1 0 334.485 2.872 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298713677 241156015 /nfs/dbraw/zinc/15/60/15/241156015.db2.gz XIWYPMKBFGAKCS-OALUTQOASA-N 1 0 342.487 2.713 20 10 EFCDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C)n1-c1ccccn1 ZINC000299022344 241164427 /nfs/dbraw/zinc/16/44/27/241164427.db2.gz MDGRMMZBEIEXAV-QZTJIDSGSA-N 1 0 338.455 2.846 20 10 EFCDRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(O)c1O ZINC000311213637 241204125 /nfs/dbraw/zinc/20/41/25/241204125.db2.gz QJYNYYDRBMJNIA-MRXNPFEDSA-N 1 0 340.423 2.740 20 10 EFCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCc2ccccc2O)C1 ZINC000299512050 241178427 /nfs/dbraw/zinc/17/84/27/241178427.db2.gz ODLQQMFWJMYNOP-IYBDPMFKSA-N 1 0 333.476 2.950 20 10 EFCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)CC2 ZINC000297473581 241122989 /nfs/dbraw/zinc/12/29/89/241122989.db2.gz YSOHPKMGAQHQRM-YOEHRIQHSA-N 1 0 340.423 2.980 20 10 EFCDRO Cn1cc(C(=O)N2CCc3ccc(Cl)cc32)c([C@H]2CCC[NH2+]C2)n1 ZINC000333341504 241652437 /nfs/dbraw/zinc/65/24/37/241652437.db2.gz YDGBJINMQAFJOA-ZDUSSCGKSA-N 1 0 344.846 2.743 20 10 EFCDRO Cc1cccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)c1O ZINC000362042069 242240967 /nfs/dbraw/zinc/24/09/67/242240967.db2.gz SYZGMLOCHJASPA-GUDVDZBRSA-N 1 0 336.435 2.947 20 10 EFCDRO O=C1[C@H]([NH2+]Cc2cc(Cl)ccc2O)CCN1Cc1ccccc1 ZINC000363118823 242273624 /nfs/dbraw/zinc/27/36/24/242273624.db2.gz DKOAMKGVVRNVSL-MRXNPFEDSA-N 1 0 330.815 2.936 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)cc1 ZINC000367226768 242376757 /nfs/dbraw/zinc/37/67/57/242376757.db2.gz PVOFJVCVHCPETK-QGZVFWFLSA-N 1 0 338.455 2.998 20 10 EFCDRO C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000186126942 296115053 /nfs/dbraw/zinc/11/50/53/296115053.db2.gz KERDXXXBYMGVTB-BVGQSLNGSA-N 1 0 336.451 2.950 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000071819550 203118372 /nfs/dbraw/zinc/11/83/72/203118372.db2.gz OQECKOLILUDQGT-IBGZPJMESA-N 1 0 348.393 2.625 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000071819551 203118883 /nfs/dbraw/zinc/11/88/83/203118883.db2.gz OQECKOLILUDQGT-LJQANCHMSA-N 1 0 348.393 2.625 20 10 EFCDRO CCOc1cccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1O ZINC000263733757 535457203 /nfs/dbraw/zinc/45/72/03/535457203.db2.gz YPRKCXREPULCMI-UHFFFAOYSA-N 1 0 332.366 2.907 20 10 EFCDRO COc1cccc(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1O ZINC000073811638 533499211 /nfs/dbraw/zinc/49/92/11/533499211.db2.gz SEGGPNCSTVKKNM-KUHUBIRLSA-N 1 0 349.475 2.711 20 10 EFCDRO COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC000005097651 286286429 /nfs/dbraw/zinc/28/64/29/286286429.db2.gz VSUILZIMXLRPFM-IBGZPJMESA-N 1 0 341.455 2.794 20 10 biogenic EFCDRO C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000187726575 287013601 /nfs/dbraw/zinc/01/36/01/287013601.db2.gz JFCASLRJTNCXJC-OLZOCXBDSA-N 1 0 340.414 2.822 20 10 EFCDRO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185028572 298644852 /nfs/dbraw/zinc/64/48/52/298644852.db2.gz FDNFLOTZUKQSPM-NEPJUHHUSA-N 1 0 343.265 2.526 20 10 EFCDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000153508805 544734596 /nfs/dbraw/zinc/73/45/96/544734596.db2.gz DFPVCQMOGYUFSZ-QGZVFWFLSA-N 1 0 342.487 2.736 20 10 EFCDRO O=C(c1ccco1)N1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000296036701 275014284 /nfs/dbraw/zinc/01/42/84/275014284.db2.gz QJQSJLAKMSYCRY-OAHLLOKOSA-N 1 0 326.396 2.867 20 10 EFCDRO Cc1cc(C(=O)N2CCCC[C@H]2CC[NH3+])c(C)n1-c1ccccn1 ZINC000286218831 278632886 /nfs/dbraw/zinc/63/28/86/278632886.db2.gz SZRNGFWOTMITLS-INIZCTEOSA-N 1 0 326.444 2.833 20 10 EFCDRO C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000158685162 533697601 /nfs/dbraw/zinc/69/76/01/533697601.db2.gz ACQWIOZUAMHELJ-KRWDZBQOSA-N 1 0 342.487 2.660 20 10 EFCDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000124128529 473213947 /nfs/dbraw/zinc/21/39/47/473213947.db2.gz KHMIZZSQPLPSBB-INIZCTEOSA-N 1 0 335.467 2.876 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)c(O)c1 ZINC000184964888 473285204 /nfs/dbraw/zinc/28/52/04/473285204.db2.gz YCSPFVJPMOVVBJ-AWEZNQCLSA-N 1 0 348.468 2.802 20 10 EFCDRO CC(C)NC(=O)CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000184981147 473290100 /nfs/dbraw/zinc/29/01/00/473290100.db2.gz LDOYILJBDBAXHH-JTQLQIEISA-N 1 0 329.238 2.720 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1cc(F)ccc1O ZINC000184992444 473294915 /nfs/dbraw/zinc/29/49/15/473294915.db2.gz HBVGQGUEKZVTIW-KBXCAEBGSA-N 1 0 344.430 2.601 20 10 EFCDRO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185110303 473332414 /nfs/dbraw/zinc/33/24/14/473332414.db2.gz NLOHBYCVKOUSDY-QWRGUYRKSA-N 1 0 341.249 2.816 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N(C)CC[N@H+](C)C2CC2)cc1 ZINC000185195404 473358673 /nfs/dbraw/zinc/35/86/73/473358673.db2.gz ILYNVYKYVQLNLY-UHFFFAOYSA-N 1 0 332.492 2.768 20 10 EFCDRO CS(=O)(=O)CCCCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000185219413 473366345 /nfs/dbraw/zinc/36/63/45/473366345.db2.gz ASGBLMGBHZTZLH-UHFFFAOYSA-N 1 0 338.517 2.981 20 10 EFCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](O)COc1ccc(F)c(F)c1 ZINC000113337830 473385241 /nfs/dbraw/zinc/38/52/41/473385241.db2.gz ZBEMNLSDBGYKLV-JTQLQIEISA-N 1 0 343.757 2.853 20 10 EFCDRO Cn1c(CC[NH2+]Cc2ccc3c(c2)CCO3)nc2c1cccc2F ZINC000113358782 473387259 /nfs/dbraw/zinc/38/72/59/473387259.db2.gz RJRCFYHORNZPGA-UHFFFAOYSA-N 1 0 325.387 2.980 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000349606757 475978446 /nfs/dbraw/zinc/97/84/46/475978446.db2.gz BPIGDOKDWJFFDN-SUMWQHHRSA-N 1 0 340.471 2.769 20 10 EFCDRO CC[C@H]([NH2+]CCNC(=O)C(C)C)c1cc(Br)ccc1O ZINC000020125288 471986652 /nfs/dbraw/zinc/98/66/52/471986652.db2.gz BGTFVUVRLJWQQC-ZDUSSCGKSA-N 1 0 343.265 2.968 20 10 EFCDRO CCNC(=O)[C@@H](C)[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000036795159 472005846 /nfs/dbraw/zinc/00/58/46/472005846.db2.gz YOKBRALBZPEXME-BXKDBHETSA-N 1 0 329.238 2.720 20 10 EFCDRO CCNC(=O)[C@H](C)[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000036795152 472006223 /nfs/dbraw/zinc/00/62/23/472006223.db2.gz YOKBRALBZPEXME-CABZTGNLSA-N 1 0 329.238 2.720 20 10 EFCDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000085391983 472242417 /nfs/dbraw/zinc/24/24/17/472242417.db2.gz RMRJLVAJHPCCCU-APWZRJJASA-N 1 0 344.503 2.768 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C=C3CCC3)cc2F)CC1 ZINC000087255432 472319315 /nfs/dbraw/zinc/31/93/15/472319315.db2.gz TZKDBOCTTZQULF-UHFFFAOYSA-N 1 0 331.435 2.694 20 10 EFCDRO CC[C@H]([NH2+]CCOCCOC)c1cc(Br)ccc1O ZINC000044693643 472331827 /nfs/dbraw/zinc/33/18/27/472331827.db2.gz IRALXWZFMBHXKM-ZDUSSCGKSA-N 1 0 332.238 2.858 20 10 EFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)c1ccccc1F ZINC000076549227 472365648 /nfs/dbraw/zinc/36/56/48/472365648.db2.gz LQRAHAQTIRYEIG-FQEVSTJZSA-N 1 0 344.430 2.828 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000031726673 472390414 /nfs/dbraw/zinc/39/04/14/472390414.db2.gz PDWNAQYTXAMVHN-MRXNPFEDSA-N 1 0 346.500 2.916 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000031726727 472390670 /nfs/dbraw/zinc/39/06/70/472390670.db2.gz NZILPBDNKBNYBX-LJQANCHMSA-N 1 0 340.471 2.855 20 10 EFCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000154158319 472395842 /nfs/dbraw/zinc/39/58/42/472395842.db2.gz RIIZTITVZZQTHJ-OLZOCXBDSA-N 1 0 334.441 2.712 20 10 EFCDRO CC[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000089619063 472470109 /nfs/dbraw/zinc/47/01/09/472470109.db2.gz CAEADYMUJYJSGV-HUUCEWRRSA-N 1 0 343.393 2.957 20 10 EFCDRO COc1cc(OC)cc([C@H](O)C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000118450724 472496307 /nfs/dbraw/zinc/49/63/07/472496307.db2.gz HPECNUSOYIIVFK-QGZVFWFLSA-N 1 0 337.803 2.886 20 10 EFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)cc1 ZINC000128800132 472497986 /nfs/dbraw/zinc/49/79/86/472497986.db2.gz MVZQSLGXKZFBNM-OAHLLOKOSA-N 1 0 341.455 2.858 20 10 EFCDRO C[C@@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc(N(C)C)cc1 ZINC000155044574 472500509 /nfs/dbraw/zinc/50/05/09/472500509.db2.gz LYHQSLGFIZZLCS-OAHLLOKOSA-N 1 0 341.455 2.929 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@](C)(O)c1ccccc1 ZINC000119407295 472553066 /nfs/dbraw/zinc/55/30/66/472553066.db2.gz QNSFKCZCSCLGSR-OAQYLSRUSA-N 1 0 340.467 2.863 20 10 EFCDRO CC[N@H+](CCNC(=O)c1cc(C)n(-c2ccccn2)c1C)C1CC1 ZINC000101957500 472558246 /nfs/dbraw/zinc/55/82/46/472558246.db2.gz XMWMXFPZAPVTIR-UHFFFAOYSA-N 1 0 326.444 2.703 20 10 EFCDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000102416420 472577697 /nfs/dbraw/zinc/57/76/97/472577697.db2.gz QZDNGICMRJPJIX-CABCVRRESA-N 1 0 333.476 2.557 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090455687 472620754 /nfs/dbraw/zinc/62/07/54/472620754.db2.gz GOAVVGNBTIRJMW-XJKSGUPXSA-N 1 0 344.434 2.594 20 10 EFCDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000120055717 472622899 /nfs/dbraw/zinc/62/28/99/472622899.db2.gz HDHOBVLPYNIBHU-OAHLLOKOSA-N 1 0 345.464 2.882 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000130717072 472623763 /nfs/dbraw/zinc/62/37/63/472623763.db2.gz HHBTYRNMNCCZNF-GDBMZVCRSA-N 1 0 331.460 2.939 20 10 EFCDRO Cc1cc(Br)cc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)c1O ZINC000130907200 472634068 /nfs/dbraw/zinc/63/40/68/472634068.db2.gz XEQZCMOFEFGVLG-XTZNXHDOSA-N 1 0 334.279 2.662 20 10 EFCDRO C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090885053 472662702 /nfs/dbraw/zinc/66/27/02/472662702.db2.gz AWMBCHWRWIHTLU-KBXCAEBGSA-N 1 0 346.450 2.934 20 10 EFCDRO C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(N2CCCCC2)cc1 ZINC000090884918 472662891 /nfs/dbraw/zinc/66/28/91/472662891.db2.gz VWEWWYRHTXWHOX-BEFAXECRSA-N 1 0 328.460 2.795 20 10 EFCDRO Cc1nsc(N2CCC[N@H+](Cc3c(O)cccc3Cl)CC2)n1 ZINC000131811776 472694986 /nfs/dbraw/zinc/69/49/86/472694986.db2.gz IAMBCOXJLYJVGK-UHFFFAOYSA-N 1 0 338.864 2.918 20 10 EFCDRO CCc1cc(=O)[nH]c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000120476214 472695978 /nfs/dbraw/zinc/69/59/78/472695978.db2.gz DPQLQYNNFHDEJC-INIZCTEOSA-N 1 0 343.427 2.631 20 10 EFCDRO CC[C@H]([NH2+]CCNC(=O)c1ccc(OC)cc1)c1ccccc1O ZINC000156456630 472710717 /nfs/dbraw/zinc/71/07/17/472710717.db2.gz ALCMECHKEAYXLV-KRWDZBQOSA-N 1 0 328.412 2.872 20 10 EFCDRO CC[C@@H]([NH2+]CC[C@H](O)COC)c1cc(Br)ccc1O ZINC000156986015 472773051 /nfs/dbraw/zinc/77/30/51/472773051.db2.gz KJBKYNWAQMGPNQ-WCQYABFASA-N 1 0 332.238 2.593 20 10 EFCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000157068231 472782583 /nfs/dbraw/zinc/78/25/83/472782583.db2.gz QRKYYLKOMOAWGU-CYBMUJFWSA-N 1 0 335.448 2.617 20 10 EFCDRO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000121154428 472807207 /nfs/dbraw/zinc/80/72/07/472807207.db2.gz LBMPIGCCZSXMAB-UHFFFAOYSA-N 1 0 329.419 2.883 20 10 EFCDRO CC(=O)c1cc(F)cc(C[N@H+](CCC(N)=O)Cc2ccccc2)c1O ZINC000079396417 472858770 /nfs/dbraw/zinc/85/87/70/472858770.db2.gz YKWYGWZIKLWLNV-UHFFFAOYSA-N 1 0 344.386 2.612 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000079451526 472866872 /nfs/dbraw/zinc/86/68/72/472866872.db2.gz CGUNPXNXHPRVSZ-UHFFFAOYSA-N 1 0 327.428 2.795 20 10 EFCDRO CCc1nc(CN2CC[NH+](Cc3cccc(OC)c3O)CC2)cs1 ZINC000092504915 472925540 /nfs/dbraw/zinc/92/55/40/472925540.db2.gz ADYQBFAWTHMQJI-UHFFFAOYSA-N 1 0 347.484 2.738 20 10 EFCDRO CC(=O)N(C)C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000092538036 472932135 /nfs/dbraw/zinc/93/21/35/472932135.db2.gz IGEOYPBIMXVLFI-UHFFFAOYSA-N 1 0 341.249 2.597 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1O ZINC000092706211 472967745 /nfs/dbraw/zinc/96/77/45/472967745.db2.gz FVOYDUHHZDRHIW-OAHLLOKOSA-N 1 0 334.460 2.775 20 10 EFCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000092707940 472968840 /nfs/dbraw/zinc/96/88/40/472968840.db2.gz TUKMLPFHKGLJLP-HNNXBMFYSA-N 1 0 334.460 2.919 20 10 EFCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000092707674 472969094 /nfs/dbraw/zinc/96/90/94/472969094.db2.gz ANGJACLMADGVJR-HNNXBMFYSA-N 1 0 334.460 2.919 20 10 EFCDRO COc1ccc(N2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)cc1F ZINC000122076809 472973345 /nfs/dbraw/zinc/97/33/45/472973345.db2.gz FVULYEDOWRFHNE-GOSISDBHSA-N 1 0 344.430 2.560 20 10 EFCDRO COc1cccc(CNC(=O)NCCCCC[NH+]2CCCCC2)c1O ZINC000074352795 472993947 /nfs/dbraw/zinc/99/39/47/472993947.db2.gz SIGTWSQTYKAIKT-UHFFFAOYSA-N 1 0 349.475 2.856 20 10 EFCDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000080243713 473002160 /nfs/dbraw/zinc/00/21/60/473002160.db2.gz XFHHCIXCLLBSDJ-FQEVSTJZSA-N 1 0 340.467 2.871 20 10 EFCDRO C[NH+](C)CC(C)(C)CN1C(=O)/C(=C/c2cccnc2)SC1=S ZINC000066145217 473048791 /nfs/dbraw/zinc/04/87/91/473048791.db2.gz QWSGKYIYKSGVLS-JYRVWZFOSA-N 1 0 335.498 2.871 20 10 EFCDRO C[NH+](C)CC(C)(C)CN1C(=O)/C(=C/c2ccccn2)SC1=S ZINC000066145135 473048980 /nfs/dbraw/zinc/04/89/80/473048980.db2.gz KSPIFWBDVXKUHT-LCYFTJDESA-N 1 0 335.498 2.871 20 10 EFCDRO COc1ccc(N2CC[NH+](C[C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000066346072 473078891 /nfs/dbraw/zinc/07/88/91/473078891.db2.gz NMCWLQIPLJBLEH-IBGZPJMESA-N 1 0 330.403 2.690 20 10 EFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000066346076 473078967 /nfs/dbraw/zinc/07/89/67/473078967.db2.gz NMCWLQIPLJBLEH-LJQANCHMSA-N 1 0 330.403 2.690 20 10 EFCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](CO)c2ccc(OC)cc2)c1 ZINC000093415747 473105940 /nfs/dbraw/zinc/10/59/40/473105940.db2.gz PRYGOWIBTYYEPK-SFHVURJKSA-N 1 0 331.412 2.965 20 10 EFCDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)NC3CCCC3)CC2)cc1 ZINC000052466264 473109525 /nfs/dbraw/zinc/10/95/25/473109525.db2.gz JOCNTWAVYZJPDG-INIZCTEOSA-N 1 0 345.487 2.655 20 10 EFCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1C ZINC000093646752 473129967 /nfs/dbraw/zinc/12/99/67/473129967.db2.gz GUKKPNVNQIMLCV-WBVHZDCISA-N 1 0 325.474 2.797 20 10 EFCDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1C ZINC000093646753 473131151 /nfs/dbraw/zinc/13/11/51/473131151.db2.gz GUKKPNVNQIMLCV-RDJZCZTQSA-N 1 0 325.474 2.797 20 10 EFCDRO Cc1nsc(N2CCC[N@H+](Cc3cc(Cl)ccc3O)CC2)n1 ZINC000093716853 473136724 /nfs/dbraw/zinc/13/67/24/473136724.db2.gz PLXGTOZSEGGJJI-UHFFFAOYSA-N 1 0 338.864 2.918 20 10 EFCDRO c1cc(N2CCCCC2)ccc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000093817391 473148635 /nfs/dbraw/zinc/14/86/35/473148635.db2.gz JDHFAEYXVIYXEH-HXUWFJFHSA-N 1 0 343.515 2.831 20 10 EFCDRO Cc1csc(=O)n1CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000123509948 473149170 /nfs/dbraw/zinc/14/91/70/473149170.db2.gz OWJBBSJNBIQWAN-MRXNPFEDSA-N 1 0 348.468 2.605 20 10 EFCDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000093863959 473152746 /nfs/dbraw/zinc/15/27/46/473152746.db2.gz VJCXSNOOJJIMBP-LJQANCHMSA-N 1 0 340.471 2.766 20 10 EFCDRO CCc1nsc(N2CCC[N@H+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000093871432 473157407 /nfs/dbraw/zinc/15/74/07/473157407.db2.gz KVDSWPCWHNEVNO-UHFFFAOYSA-N 1 0 345.516 2.879 20 10 EFCDRO Oc1cccc(Cl)c1CNC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000136578989 473164347 /nfs/dbraw/zinc/16/43/47/473164347.db2.gz MJXWVFQMCREFFF-WMZOPIPTSA-N 1 0 338.879 2.903 20 10 EFCDRO Oc1cccc(Cl)c1CNC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000136579080 473165672 /nfs/dbraw/zinc/16/56/72/473165672.db2.gz MJXWVFQMCREFFF-FUHWJXTLSA-N 1 0 338.879 2.903 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2)CC1 ZINC000081366286 473191894 /nfs/dbraw/zinc/19/18/94/473191894.db2.gz UWPUNFPZVNRQRV-UHFFFAOYSA-N 1 0 329.488 2.881 20 10 EFCDRO CCC[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000151116114 473410246 /nfs/dbraw/zinc/41/02/46/473410246.db2.gz QNLOAMGHISMZDA-QGZVFWFLSA-N 1 0 331.504 2.986 20 10 EFCDRO C[C@H]([NH2+]CCCn1ccnc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000151121543 473411556 /nfs/dbraw/zinc/41/15/56/473411556.db2.gz JHACIIZADCPNCI-HNNXBMFYSA-N 1 0 332.423 2.600 20 10 EFCDRO C[C@@H]([NH2+]CCCn1ccnc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000151121586 473411589 /nfs/dbraw/zinc/41/15/89/473411589.db2.gz JHACIIZADCPNCI-OAHLLOKOSA-N 1 0 332.423 2.600 20 10 EFCDRO C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185392988 473414642 /nfs/dbraw/zinc/41/46/42/473414642.db2.gz ROIRXGGENSJVOH-NEPJUHHUSA-N 1 0 346.302 2.986 20 10 EFCDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000151180579 473421682 /nfs/dbraw/zinc/42/16/82/473421682.db2.gz SMVVDUGNGPVTPC-GOSISDBHSA-N 1 0 342.487 2.594 20 10 EFCDRO C[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000151237198 473430475 /nfs/dbraw/zinc/43/04/75/473430475.db2.gz RNEPNYSXVYSQIK-INIZCTEOSA-N 1 0 340.471 2.835 20 10 EFCDRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185467896 473434487 /nfs/dbraw/zinc/43/44/87/473434487.db2.gz RPHAUNKKYHPQMM-QMTHXVAHSA-N 1 0 332.238 2.593 20 10 EFCDRO COCC[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185466808 473435155 /nfs/dbraw/zinc/43/51/55/473435155.db2.gz CVBHJNCHHLBTIY-YGRLFVJLSA-N 1 0 332.238 2.593 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cccc(C(=O)N(C)C)c2)c1 ZINC000185547240 473453443 /nfs/dbraw/zinc/45/34/43/473453443.db2.gz JWSKIYGXOOXNKW-AWEZNQCLSA-N 1 0 342.439 2.996 20 10 EFCDRO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cc(F)ccc1O ZINC000185650254 473478006 /nfs/dbraw/zinc/47/80/06/473478006.db2.gz LUMNZYMQTQKNAE-LBPRGKRZSA-N 1 0 337.416 2.927 20 10 EFCDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185673913 473485331 /nfs/dbraw/zinc/48/53/31/473485331.db2.gz WJLRCCRMGQZNGJ-NTZNESFSSA-N 1 0 344.249 2.999 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)c1 ZINC000185686811 473488914 /nfs/dbraw/zinc/48/89/14/473488914.db2.gz GBJYBAIOXGQRRP-CHWSQXEVSA-N 1 0 331.391 2.864 20 10 EFCDRO CCOc1cccc(C[NH2+]Cc2nc3cc(OC)ccc3n2C)c1O ZINC000185844032 473528537 /nfs/dbraw/zinc/52/85/37/473528537.db2.gz TXDJZOFIXLLJAR-UHFFFAOYSA-N 1 0 341.411 2.976 20 10 EFCDRO COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000185953314 473557560 /nfs/dbraw/zinc/55/75/60/473557560.db2.gz HKNBVLCPXOHOPN-AWEZNQCLSA-N 1 0 328.412 2.790 20 10 EFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000126929390 473560142 /nfs/dbraw/zinc/56/01/42/473560142.db2.gz RKIWLTLROJCYND-IBGZPJMESA-N 1 0 342.487 2.736 20 10 EFCDRO CCn1nccc1N1CCC[C@@H]([NH2+]Cc2cc(C)c(C)cc2O)C1=O ZINC000191643221 473563972 /nfs/dbraw/zinc/56/39/72/473563972.db2.gz UBGURZWXBZNGEN-MRXNPFEDSA-N 1 0 342.443 2.511 20 10 EFCDRO Nc1ccc(CCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000152571101 473577836 /nfs/dbraw/zinc/57/78/36/473577836.db2.gz FWTUWRUASHQQTO-IBGZPJMESA-N 1 0 337.467 2.840 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)cc1F ZINC000127110682 473578187 /nfs/dbraw/zinc/57/81/87/473578187.db2.gz XLVUMZPHSJTETB-GOSISDBHSA-N 1 0 346.450 2.571 20 10 EFCDRO CC(C)N1CC[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)C1=O ZINC000186047592 473578303 /nfs/dbraw/zinc/57/83/03/473578303.db2.gz VIOOWEILJQOGKE-GWCFXTLKSA-N 1 0 341.249 2.815 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCNC(=O)c2occc2C)c1 ZINC000186068217 473584133 /nfs/dbraw/zinc/58/41/33/473584133.db2.gz LUJDTUOIYGTWIC-ZDUSSCGKSA-N 1 0 332.400 2.773 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cc(F)ccc1O ZINC000186144752 473599784 /nfs/dbraw/zinc/59/97/84/473599784.db2.gz HRVULQDTYMUXDU-SKDRFNHKSA-N 1 0 334.313 2.735 20 10 EFCDRO CC[C@H]([NH2+]C[C@@](C)(O)CCOC)c1cc(Br)ccc1O ZINC000186195928 473612998 /nfs/dbraw/zinc/61/29/98/473612998.db2.gz QCKYKASSGFVVFY-ZFWWWQNUSA-N 1 0 346.265 2.983 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000153761526 473639744 /nfs/dbraw/zinc/63/97/44/473639744.db2.gz YEDTWKFCCHTFGU-OXQOHEQNSA-N 1 0 326.440 2.907 20 10 EFCDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000186354329 473658318 /nfs/dbraw/zinc/65/83/18/473658318.db2.gz BNEJXXOUCKRCJZ-JTQLQIEISA-N 1 0 343.265 2.968 20 10 EFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN(C(=O)CCOC)CC2)cc1 ZINC000127874877 473659836 /nfs/dbraw/zinc/65/98/36/473659836.db2.gz YMTJAVMIAHHHTM-INIZCTEOSA-N 1 0 347.503 2.821 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(Cl)ccc1O ZINC000186375120 473663358 /nfs/dbraw/zinc/66/33/58/473663358.db2.gz NOSFBYKNYGWRKC-DGCLKSJQSA-N 1 0 327.808 2.618 20 10 EFCDRO C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(Cl)ccc1O ZINC000186375139 473663626 /nfs/dbraw/zinc/66/36/26/473663626.db2.gz NOSFBYKNYGWRKC-AAEUAGOBSA-N 1 0 327.808 2.618 20 10 EFCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000179365740 473680733 /nfs/dbraw/zinc/68/07/33/473680733.db2.gz YGLROLYRGSKXIF-NSHDSACASA-N 1 0 342.233 2.740 20 10 EFCDRO COc1cc(O)c(CN2CCC[N@@H+](C3CCCC3)CC2)cc1OC ZINC000179444545 473688253 /nfs/dbraw/zinc/68/82/53/473688253.db2.gz NGPTVWZWKVSSPV-UHFFFAOYSA-N 1 0 334.460 2.860 20 10 EFCDRO C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192618894 473696910 /nfs/dbraw/zinc/69/69/10/473696910.db2.gz MISARNPRMYGUJK-LBPRGKRZSA-N 1 0 346.302 2.987 20 10 EFCDRO C[C@@H](c1ccccc1)[N@H+](CCNS(C)(=O)=O)Cc1ccccc1O ZINC000179645324 473702145 /nfs/dbraw/zinc/70/21/45/473702145.db2.gz WCTUQFRNGRUDGW-HNNXBMFYSA-N 1 0 348.468 2.505 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(F)cc1[O-] ZINC000287623419 473716741 /nfs/dbraw/zinc/71/67/41/473716741.db2.gz TUFHLWLWJKZPMA-HIFRSBDPSA-N 1 0 335.423 2.862 20 10 EFCDRO CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287696005 473736555 /nfs/dbraw/zinc/73/65/55/473736555.db2.gz NKSJAUMKCLWOKQ-INIZCTEOSA-N 1 0 325.884 2.724 20 10 EFCDRO Cc1cccc(C[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)c1O ZINC000179875353 473746796 /nfs/dbraw/zinc/74/67/96/473746796.db2.gz XAPQQBLSYPTUGR-UHFFFAOYSA-N 1 0 342.414 2.727 20 10 EFCDRO O=C(c1ccsc1)N1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC000179948400 473761653 /nfs/dbraw/zinc/76/16/53/473761653.db2.gz QSVSISKZUWRCSM-UHFFFAOYSA-N 1 0 334.416 2.941 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cc(Br)ccc1O ZINC000281558129 473763917 /nfs/dbraw/zinc/76/39/17/473763917.db2.gz JQQRTZAPQSEDBB-MNOVXSKESA-N 1 0 341.249 2.816 20 10 EFCDRO CCOCc1cc(C[NH2+]CCc2cn3c(n2)SCC3)ccc1OC ZINC000274259247 473771453 /nfs/dbraw/zinc/77/14/53/473771453.db2.gz MOGLSDMAVHSFMC-UHFFFAOYSA-N 1 0 347.484 2.866 20 10 EFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCNC(=O)C2CC2)c1O ZINC000186926225 473783333 /nfs/dbraw/zinc/78/33/33/473783333.db2.gz XEXIIRYXAHFTMD-SNVBAGLBSA-N 1 0 341.249 2.640 20 10 EFCDRO CC[N@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@H]1CCNC1=O ZINC000281648741 473793869 /nfs/dbraw/zinc/79/38/69/473793869.db2.gz BIDFHWCTGCOIBF-SFHVURJKSA-N 1 0 340.423 2.682 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCCNC2=O)c1O ZINC000186985287 473795446 /nfs/dbraw/zinc/79/54/46/473795446.db2.gz MCHSXIDGXHTMMV-GWCFXTLKSA-N 1 0 341.249 2.782 20 10 EFCDRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc(O)c1O ZINC000187046353 473807272 /nfs/dbraw/zinc/80/72/72/473807272.db2.gz JXJICIMCDULPHA-UHFFFAOYSA-N 1 0 344.436 2.899 20 10 EFCDRO Cc1ccc([C@@H](CNC(=O)c2cccc(O)c2O)[NH+]2CCCC2)o1 ZINC000187060152 473810891 /nfs/dbraw/zinc/81/08/91/473810891.db2.gz JMYUAVVOYPOWSJ-CQSZACIVSA-N 1 0 330.384 2.566 20 10 EFCDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187214893 473838942 /nfs/dbraw/zinc/83/89/42/473838942.db2.gz VKARHEOVAKHWGL-XHDPSFHLSA-N 1 0 346.265 2.901 20 10 EFCDRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187214930 473839001 /nfs/dbraw/zinc/83/90/01/473839001.db2.gz VKARHEOVAKHWGL-NHYWBVRUSA-N 1 0 346.265 2.901 20 10 EFCDRO C[S@](=O)C1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000281866890 473865263 /nfs/dbraw/zinc/86/52/63/473865263.db2.gz VXULIDUUERVOGA-DEOSSOPVSA-N 1 0 345.464 2.972 20 10 EFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(O)cc3F)c2)CC1 ZINC000187405978 473868263 /nfs/dbraw/zinc/86/82/63/473868263.db2.gz CWBSHJFGPOQEKY-UHFFFAOYSA-N 1 0 343.402 2.926 20 10 EFCDRO COC[C@@H](O)CC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187412662 473869088 /nfs/dbraw/zinc/86/90/88/473869088.db2.gz GHHFHCZUIRRHCF-PWSUYJOCSA-N 1 0 332.238 2.511 20 10 EFCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C(=O)NCCF ZINC000281931006 473887684 /nfs/dbraw/zinc/88/76/84/473887684.db2.gz AYUDJANIMLMZIO-KBPBESRZSA-N 1 0 339.430 2.941 20 10 EFCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1)C(=O)NCCF ZINC000281931015 473888082 /nfs/dbraw/zinc/88/80/82/473888082.db2.gz AYUDJANIMLMZIO-ZIAGYGMSSA-N 1 0 339.430 2.941 20 10 EFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCOCCOCCOC)cc1 ZINC000274627242 473902342 /nfs/dbraw/zinc/90/23/42/473902342.db2.gz HGJMJJMIOCNICA-QGZVFWFLSA-N 1 0 338.492 2.863 20 10 EFCDRO COCCOCCOCCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000274707796 473929612 /nfs/dbraw/zinc/92/96/12/473929612.db2.gz ZQBIKHUEVURCBE-ZDUSSCGKSA-N 1 0 331.840 2.766 20 10 EFCDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180697711 473945570 /nfs/dbraw/zinc/94/55/70/473945570.db2.gz YBWMNCLNVWZWES-KGXGESDWSA-N 1 0 332.444 2.738 20 10 EFCDRO C[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[N@H+](C)C1CC1 ZINC000264281084 473959346 /nfs/dbraw/zinc/95/93/46/473959346.db2.gz JRXUHXZSVVWGKE-OAHLLOKOSA-N 1 0 344.503 2.909 20 10 EFCDRO Cc1cc(C(=O)N2CCO[C@@H](C[NH3+])C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000274808722 473968543 /nfs/dbraw/zinc/96/85/43/473968543.db2.gz QLADPMSKIZYRQZ-SFHVURJKSA-N 1 0 341.455 2.511 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000181162231 474011112 /nfs/dbraw/zinc/01/11/12/474011112.db2.gz ZQBPEINHQMNEKP-SOFGYWHQSA-N 1 0 330.428 2.634 20 10 EFCDRO C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(Br)ccc1O ZINC000282302180 474014903 /nfs/dbraw/zinc/01/49/03/474014903.db2.gz MLRPKDBNFKTPIO-LZVRBXCZSA-N 1 0 332.263 2.716 20 10 EFCDRO Cn1c(-c2ccccc2)cnc1SCCCN1CC[NH+](C)CC1 ZINC000181312795 474026327 /nfs/dbraw/zinc/02/63/27/474026327.db2.gz RBLDCQSYRVSMHY-UHFFFAOYSA-N 1 0 330.501 2.817 20 10 EFCDRO C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(Br)cc1O ZINC000282357516 474035526 /nfs/dbraw/zinc/03/55/26/474035526.db2.gz PNNOWSSGBLHJDB-LZVRBXCZSA-N 1 0 332.263 2.716 20 10 EFCDRO C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(Br)cc1O ZINC000282357527 474036802 /nfs/dbraw/zinc/03/68/02/474036802.db2.gz PNNOWSSGBLHJDB-YYSFKGJASA-N 1 0 332.263 2.716 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(O)c1 ZINC000181486507 474040280 /nfs/dbraw/zinc/04/02/80/474040280.db2.gz FWNGYVTVXSALHE-OAHLLOKOSA-N 1 0 341.455 2.767 20 10 EFCDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000289081725 474142549 /nfs/dbraw/zinc/14/25/49/474142549.db2.gz NWGPYFQEAMDIPR-QAPCUYQASA-N 1 0 330.476 2.521 20 10 EFCDRO CN(C)c1ccc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)cc1 ZINC000264933566 474161763 /nfs/dbraw/zinc/16/17/63/474161763.db2.gz BXORGSPVSLNZJI-UHFFFAOYSA-N 1 0 341.455 2.995 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000182441176 474176703 /nfs/dbraw/zinc/17/67/03/474176703.db2.gz AOITUAFYWUDRQE-ZWNOBZJWSA-N 1 0 346.349 2.605 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCc3sccc3C2)c1 ZINC000182457853 474181806 /nfs/dbraw/zinc/18/18/06/474181806.db2.gz MIMODAWIYGKLTD-LBPRGKRZSA-N 1 0 346.452 2.698 20 10 EFCDRO COCCO[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000188824603 474208516 /nfs/dbraw/zinc/20/85/16/474208516.db2.gz CWJZUMLUTHXVOU-CQSZACIVSA-N 1 0 344.249 2.700 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+]CC3(SC)CC3)CC2)cc1 ZINC000289289075 474211449 /nfs/dbraw/zinc/21/14/49/474211449.db2.gz PLGFXTWKWHFKAI-UHFFFAOYSA-N 1 0 349.544 2.693 20 10 EFCDRO Cc1cccc(C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1O ZINC000182679730 474231010 /nfs/dbraw/zinc/23/10/10/474231010.db2.gz XKJIELVLNODEKG-CYBMUJFWSA-N 1 0 332.350 2.874 20 10 EFCDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cc(Cl)cc(OC)c2O)C1(C)C ZINC000188902771 474231015 /nfs/dbraw/zinc/23/10/15/474231015.db2.gz GVSILTIGFTZQFU-WMLDXEAASA-N 1 0 343.851 2.710 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)c(O)c1 ZINC000275584232 474244170 /nfs/dbraw/zinc/24/41/70/474244170.db2.gz PGDPCFMXERJTDQ-PKOBYXMFSA-N 1 0 345.443 2.924 20 10 EFCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000227437681 474245722 /nfs/dbraw/zinc/24/57/22/474245722.db2.gz WXMSVDHVYPTOFA-KGLIPLIRSA-N 1 0 325.250 2.871 20 10 EFCDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(OCC)c1O ZINC000289400606 474255818 /nfs/dbraw/zinc/25/58/18/474255818.db2.gz OPCXHLQCYRBUAT-HNNXBMFYSA-N 1 0 336.432 2.892 20 10 EFCDRO Cc1cc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc(N2CCCC2)n1 ZINC000289422036 474264431 /nfs/dbraw/zinc/26/44/31/474264431.db2.gz BQTAMQQOSIDKDF-UHFFFAOYSA-N 1 0 341.411 2.714 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCN(c3ccc(F)c(OC)c3)CC2)c1 ZINC000282997389 474267963 /nfs/dbraw/zinc/26/79/63/474267963.db2.gz KLFUJTVYPCLYAN-UHFFFAOYSA-N 1 0 346.402 2.871 20 10 EFCDRO Oc1cc2c(cc1CN1CCO[C@@H](Cc3ccccc3)C1)OCO2 ZINC000182955239 474295741 /nfs/dbraw/zinc/29/57/41/474295741.db2.gz YENKRKQSYGPFRT-INIZCTEOSA-N 1 0 327.380 2.564 20 10 EFCDRO CC(C)(C)n1ncnc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000283172131 474326167 /nfs/dbraw/zinc/32/61/67/474326167.db2.gz POGHIYABVHLCCP-INIZCTEOSA-N 1 0 344.459 2.920 20 10 EFCDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000289591410 474336373 /nfs/dbraw/zinc/33/63/73/474336373.db2.gz KLSSOHRVOAKAAG-GHTZIAJQSA-N 1 0 343.515 2.972 20 10 EFCDRO [NH3+]CCCN(Cc1c[nH]nc1-c1cccnc1)c1cccc(F)c1 ZINC000183218800 474352224 /nfs/dbraw/zinc/35/22/24/474352224.db2.gz YKSSBQSHKNLGEW-UHFFFAOYSA-N 1 0 325.391 2.966 20 10 EFCDRO O=C(NCCc1ccc(O)c(O)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000270982894 474353193 /nfs/dbraw/zinc/35/31/93/474353193.db2.gz ACFFGMJGQMWBDF-UHFFFAOYSA-N 1 0 340.423 2.666 20 10 EFCDRO CN(C)c1ncc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000271045408 474381821 /nfs/dbraw/zinc/38/18/21/474381821.db2.gz QWMDXNCKQYPDJC-UHFFFAOYSA-N 1 0 346.500 2.678 20 10 EFCDRO COc1cccc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1O ZINC000271105221 474401545 /nfs/dbraw/zinc/40/15/45/474401545.db2.gz RGOTYYYAAKQIGI-UHFFFAOYSA-N 1 0 326.396 2.664 20 10 EFCDRO CCc1nc(C)cc(NCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000283435400 474402099 /nfs/dbraw/zinc/40/20/99/474402099.db2.gz CPHQXKQCZCGERY-UHFFFAOYSA-N 1 0 330.407 2.935 20 10 EFCDRO COc1c(C)cnc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)c1C ZINC000183785407 474428987 /nfs/dbraw/zinc/42/89/87/474428987.db2.gz GEQUEANAZBDZKG-UHFFFAOYSA-N 1 0 330.384 2.773 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3cscn3)CC2)cc1 ZINC000271200782 474438256 /nfs/dbraw/zinc/43/82/56/474438256.db2.gz ZGHKBMPAZJSUEK-HNNXBMFYSA-N 1 0 346.500 2.625 20 10 EFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c1O ZINC000183892258 474443329 /nfs/dbraw/zinc/44/33/29/474443329.db2.gz MRARCIJGHKGDPX-AWEZNQCLSA-N 1 0 337.391 2.709 20 10 EFCDRO O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000266687057 474447239 /nfs/dbraw/zinc/44/72/39/474447239.db2.gz DTDNWVWSYTWZIC-ZWKOTPCHSA-N 1 0 343.471 2.697 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1O ZINC000289840757 474450352 /nfs/dbraw/zinc/45/03/52/474450352.db2.gz PJGYIDHZXRMUGN-MLGOLLRUSA-N 1 0 340.851 2.837 20 10 EFCDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000237682788 474457381 /nfs/dbraw/zinc/45/73/81/474457381.db2.gz LPQMPFJBEPGHCB-AEFFLSMTSA-N 1 0 329.488 2.924 20 10 EFCDRO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(CCC(N)=O)CC2)c1O ZINC000271248401 474458372 /nfs/dbraw/zinc/45/83/72/474458372.db2.gz QZNVDPPAOAOVHP-UHFFFAOYSA-N 1 0 338.835 2.726 20 10 EFCDRO COC(=O)CN(CC[C@H]1CCCO1)Cc1cc(Cl)ccc1O ZINC000189664303 474459477 /nfs/dbraw/zinc/45/94/77/474459477.db2.gz ROCCWNLPRSXMNK-CQSZACIVSA-N 1 0 327.808 2.590 20 10 EFCDRO Cc1ccc([C@@H](CNC(=O)Cc2ccc(N)cc2)[NH+]2CCCC2)o1 ZINC000237878556 474492955 /nfs/dbraw/zinc/49/29/55/474492955.db2.gz ZURCPDLEGKYXQJ-QGZVFWFLSA-N 1 0 327.428 2.666 20 10 EFCDRO COc1c(O)c(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)ccc1[N+](=O)[O-] ZINC000289985831 474515762 /nfs/dbraw/zinc/51/57/62/474515762.db2.gz BWOYUSNPQQYFGB-BONVTDFDSA-N 1 0 330.340 2.921 20 10 EFCDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000290234977 474563202 /nfs/dbraw/zinc/56/32/02/474563202.db2.gz UYSINTYZYVVLQE-RBUKOAKNSA-N 1 0 329.488 2.927 20 10 EFCDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000290234981 474563521 /nfs/dbraw/zinc/56/35/21/474563521.db2.gz UYSINTYZYVVLQE-RTBURBONSA-N 1 0 329.488 2.927 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000276713373 474569175 /nfs/dbraw/zinc/56/91/75/474569175.db2.gz GYFXILBFJKTCPS-KRWDZBQOSA-N 1 0 332.444 2.814 20 10 EFCDRO OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000290390689 474570157 /nfs/dbraw/zinc/57/01/57/474570157.db2.gz ITZVPTIHHAUIKR-QFBILLFUSA-N 1 0 344.430 2.504 20 10 EFCDRO C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)c(F)c1[O-] ZINC000276992147 474576165 /nfs/dbraw/zinc/57/61/65/474576165.db2.gz XPBVQMOLQJFDAU-XZJROXQQSA-N 1 0 340.414 2.699 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1O ZINC000271649448 474583110 /nfs/dbraw/zinc/58/31/10/474583110.db2.gz IRVJINZAUBTCEB-SJLPKXTDSA-N 1 0 326.440 2.944 20 10 EFCDRO CCNC(=O)C1(C[NH2+]Cc2ccc(OC)c(COCC)c2)CCC1 ZINC000277390506 474584261 /nfs/dbraw/zinc/58/42/61/474584261.db2.gz JKUFWUYRKCYODD-UHFFFAOYSA-N 1 0 334.460 2.628 20 10 EFCDRO COc1cc(Cl)cc(C[NH+]2CCC(Cn3ccnn3)CC2)c1O ZINC000184703701 474589799 /nfs/dbraw/zinc/58/97/99/474589799.db2.gz JCTBMEGMOMETKP-UHFFFAOYSA-N 1 0 336.823 2.558 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@@H]2COc3c(C)cccc3C2)cc1OC ZINC000291000858 474589968 /nfs/dbraw/zinc/58/99/68/474589968.db2.gz VYHPWKBVSFVYFJ-HNNXBMFYSA-N 1 0 329.396 2.811 20 10 EFCDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cccc(Br)c1O ZINC000277585629 474589884 /nfs/dbraw/zinc/58/98/84/474589884.db2.gz RWNHJJBOYNPDQJ-ZDUSSCGKSA-N 1 0 341.249 2.645 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000291132295 474594923 /nfs/dbraw/zinc/59/49/23/474594923.db2.gz FALJGGUYBRQCNZ-CHWSQXEVSA-N 1 0 344.386 2.996 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1 ZINC000184730785 474596619 /nfs/dbraw/zinc/59/66/19/474596619.db2.gz KOAIGJIPJFBSRR-OAHLLOKOSA-N 1 0 329.444 2.979 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c(O)c1 ZINC000278112464 474601150 /nfs/dbraw/zinc/60/11/50/474601150.db2.gz BOTFRORGMMPWBV-MRXNPFEDSA-N 1 0 344.459 2.673 20 10 EFCDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000272095025 474602433 /nfs/dbraw/zinc/60/24/33/474602433.db2.gz FEJUZQGJLKROKS-HNNXBMFYSA-N 1 0 332.492 2.624 20 10 EFCDRO COc1c([O-])c(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000278309685 474606916 /nfs/dbraw/zinc/60/69/16/474606916.db2.gz DUWHXEDXYARIQN-ZDUSSCGKSA-N 1 0 337.420 2.663 20 10 EFCDRO Cc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c(C)n1-c1ccccn1 ZINC000272481254 474612616 /nfs/dbraw/zinc/61/26/16/474612616.db2.gz MCWFSSSIKCBSJX-WMZOPIPTSA-N 1 0 338.455 2.655 20 10 EFCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCC[C@@H](S(C)(=O)=O)C3)ccc21 ZINC000284309491 474616558 /nfs/dbraw/zinc/61/65/58/474616558.db2.gz ZFUFGVZGKVGWNR-IAGOWNOFSA-N 1 0 336.501 2.514 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccc(N(C)C)cc1 ZINC000278398752 474632599 /nfs/dbraw/zinc/63/25/99/474632599.db2.gz GLBWBUURFIABCI-RDJZCZTQSA-N 1 0 327.476 2.806 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccc(N(C)C)cc1 ZINC000278398746 474632616 /nfs/dbraw/zinc/63/26/16/474632616.db2.gz GLBWBUURFIABCI-DOTOQJQBSA-N 1 0 327.476 2.806 20 10 EFCDRO COCCSCCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000278496476 474661353 /nfs/dbraw/zinc/66/13/53/474661353.db2.gz KLIVKHARYQMSDK-UHFFFAOYSA-N 1 0 338.517 2.725 20 10 EFCDRO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278534993 474687144 /nfs/dbraw/zinc/68/71/44/474687144.db2.gz VYVRPTGRAVPBIO-CYBMUJFWSA-N 1 0 339.436 2.909 20 10 EFCDRO Cc1cc(CNC(=O)c2ccc(C)c(O)c2O)cc(N2CCCC2)n1 ZINC000291935543 474758933 /nfs/dbraw/zinc/75/89/33/474758933.db2.gz OYNGNWJFYVQOOP-UHFFFAOYSA-N 1 0 341.411 2.640 20 10 EFCDRO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2O)C[N@@H+]1Cc1ccccc1 ZINC000268119848 474809089 /nfs/dbraw/zinc/80/90/89/474809089.db2.gz MCAGSICWWIKHRW-QAPCUYQASA-N 1 0 339.439 2.854 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCS(=O)(=O)Cc2ccccc2)c1 ZINC000273302347 474832045 /nfs/dbraw/zinc/83/20/45/474832045.db2.gz BSCUJJYLKIOKEW-CQSZACIVSA-N 1 0 349.452 2.666 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)c(O)c1 ZINC000273369996 474862556 /nfs/dbraw/zinc/86/25/56/474862556.db2.gz FWKUFHRNDKZOKZ-ZIAGYGMSSA-N 1 0 345.395 2.520 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c(O)c1 ZINC000273369981 474863382 /nfs/dbraw/zinc/86/33/82/474863382.db2.gz FWKUFHRNDKZOKZ-KBPBESRZSA-N 1 0 345.395 2.520 20 10 EFCDRO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000273393923 474876914 /nfs/dbraw/zinc/87/69/14/474876914.db2.gz LLCVPFCOUSPYSI-ZDUSSCGKSA-N 1 0 346.402 2.897 20 10 EFCDRO Cc1c(/C=C\C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cnn1C ZINC000255617151 474880583 /nfs/dbraw/zinc/88/05/83/474880583.db2.gz OPBFTHVKEHZARP-HJCTWCACSA-N 1 0 336.439 2.753 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)c(O)c1 ZINC000273423015 474890022 /nfs/dbraw/zinc/89/00/22/474890022.db2.gz SMKNIPNWELYUDH-OAHLLOKOSA-N 1 0 327.428 2.783 20 10 EFCDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273454020 474905929 /nfs/dbraw/zinc/90/59/29/474905929.db2.gz GRNRWSGCIOYGKB-WBVHZDCISA-N 1 0 336.476 2.837 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1cc(F)ccc1O ZINC000273457941 474909026 /nfs/dbraw/zinc/90/90/26/474909026.db2.gz HJXIRJMCGCJCHF-SUMWQHHRSA-N 1 0 328.387 2.983 20 10 EFCDRO CC(C)N1C[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)CC1=O ZINC000273461826 474911790 /nfs/dbraw/zinc/91/17/90/474911790.db2.gz IHLNBIPGOWWKLJ-JQWIXIFHSA-N 1 0 341.249 2.815 20 10 EFCDRO C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(Br)cc1O ZINC000273466146 474912452 /nfs/dbraw/zinc/91/24/52/474912452.db2.gz DUIPEQWFWMORCP-SNVBAGLBSA-N 1 0 341.249 2.851 20 10 EFCDRO COc1c([O-])c(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000278926314 474920066 /nfs/dbraw/zinc/92/00/66/474920066.db2.gz VOMYBBNXOAMGRM-ZDUSSCGKSA-N 1 0 337.420 2.521 20 10 EFCDRO C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(Br)cc1O ZINC000273514877 474938673 /nfs/dbraw/zinc/93/86/73/474938673.db2.gz SJGSOSIQENOMCM-BONVTDFDSA-N 1 0 344.249 2.593 20 10 EFCDRO COCCN1CC[C@H]([NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000273562999 474965627 /nfs/dbraw/zinc/96/56/27/474965627.db2.gz IRCWITSKEFKLCT-YPMHNXCESA-N 1 0 343.265 2.526 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CCCN2CCOCC2)c(C(F)(F)F)c1 ZINC000279552119 474979602 /nfs/dbraw/zinc/97/96/02/474979602.db2.gz BFTIDMQPWDYQEE-UHFFFAOYSA-N 1 0 345.409 2.583 20 10 EFCDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2cc(Br)ccc2O)C1 ZINC000279643266 474983563 /nfs/dbraw/zinc/98/35/63/474983563.db2.gz DCSMGHURJIOQDL-GFCCVEGCSA-N 1 0 341.249 2.503 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]CC2(S(C)(=O)=O)CCC2)cc1F ZINC000279811479 474994084 /nfs/dbraw/zinc/99/40/84/474994084.db2.gz OORAPMAOYIMKBR-UHFFFAOYSA-N 1 0 342.480 2.729 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCCNC2=O)c(C(F)(F)F)c1 ZINC000279840974 474996475 /nfs/dbraw/zinc/99/64/75/474996475.db2.gz HQCGUVHNXHZSFP-CQSZACIVSA-N 1 0 329.366 2.530 20 10 EFCDRO CCCCOC[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000279982552 475003262 /nfs/dbraw/zinc/00/32/62/475003262.db2.gz JVBUBPOYGXHWGX-QZTJIDSGSA-N 1 0 337.460 2.551 20 10 EFCDRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)CC)CC1)c1ccc(C)cc1O ZINC000280005689 475005033 /nfs/dbraw/zinc/00/50/33/475005033.db2.gz GICGVDKKSVTTGH-MRXNPFEDSA-N 1 0 340.489 2.555 20 10 EFCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1C ZINC000285400506 475006987 /nfs/dbraw/zinc/00/69/87/475006987.db2.gz FDPBTIVFEVRJMX-QGZVFWFLSA-N 1 0 331.460 2.779 20 10 EFCDRO CC[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(C)cc1O ZINC000280075597 475007832 /nfs/dbraw/zinc/00/78/32/475007832.db2.gz LJLUQYIOMNDYNH-CVEARBPZSA-N 1 0 342.443 2.670 20 10 EFCDRO CNC(=O)CCC[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280197792 475014388 /nfs/dbraw/zinc/01/43/88/475014388.db2.gz IIGMUISMWAGENV-UHFFFAOYSA-N 1 0 331.382 2.729 20 10 EFCDRO CCCOc1ccc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c(O)c1 ZINC000280363255 475022280 /nfs/dbraw/zinc/02/22/80/475022280.db2.gz UPZKHHWXZSAEBO-LJQANCHMSA-N 1 0 335.444 2.951 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000280429982 475025952 /nfs/dbraw/zinc/02/59/52/475025952.db2.gz BWGRKJZIKQXZBT-WDSOQIARSA-N 1 0 332.488 2.973 20 10 EFCDRO CCCOc1ccc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)c(O)c1 ZINC000285473458 475026310 /nfs/dbraw/zinc/02/63/10/475026310.db2.gz KUGSXSUOQCGNER-UHFFFAOYSA-N 1 0 341.473 2.628 20 10 EFCDRO COc1cc(Cl)cc(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000280468031 475026939 /nfs/dbraw/zinc/02/69/39/475026939.db2.gz MWCOMKGABZNXCW-JKDFXYPNSA-N 1 0 341.835 2.823 20 10 EFCDRO CC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)COC1 ZINC000285525923 475028179 /nfs/dbraw/zinc/02/81/79/475028179.db2.gz SBBWXSALPPKFPY-UHFFFAOYSA-N 1 0 344.377 2.668 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2COC3(CCCC3)O2)c1O ZINC000273726090 475028371 /nfs/dbraw/zinc/02/83/71/475028371.db2.gz JGVVRTSPSDTXOW-ZDUSSCGKSA-N 1 0 327.808 2.830 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000285594514 475033215 /nfs/dbraw/zinc/03/32/15/475033215.db2.gz UUKFDVUQNBMTTR-MRXNPFEDSA-N 1 0 347.459 2.561 20 10 EFCDRO COC(=O)C(C)(C)CC[NH2+]Cc1cc(Br)ccc1O ZINC000285660346 475036507 /nfs/dbraw/zinc/03/65/07/475036507.db2.gz ZARIPYMXWNXSQV-UHFFFAOYSA-N 1 0 330.222 2.834 20 10 EFCDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000285708627 475038316 /nfs/dbraw/zinc/03/83/16/475038316.db2.gz DDWCCDFDACUQPB-ZWKOTPCHSA-N 1 0 349.544 2.975 20 10 EFCDRO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000268749673 475040103 /nfs/dbraw/zinc/04/01/03/475040103.db2.gz IXXPBQSOSCMSCT-HZPDHXFCSA-N 1 0 336.501 2.762 20 10 EFCDRO CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000293570246 475040695 /nfs/dbraw/zinc/04/06/95/475040695.db2.gz DJVSZHOVUMJDCM-WMZOPIPTSA-N 1 0 333.520 2.933 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC000285773390 475040941 /nfs/dbraw/zinc/04/09/41/475040941.db2.gz UDQNCPRWAXXWNA-IUODEOHRSA-N 1 0 332.366 2.614 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1OC ZINC000293667563 475046789 /nfs/dbraw/zinc/04/67/89/475046789.db2.gz OLWPBVDQFXWKGE-SFHVURJKSA-N 1 0 333.428 2.800 20 10 EFCDRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000268887320 475051190 /nfs/dbraw/zinc/05/11/90/475051190.db2.gz ZCMWSWIDAOITMO-LLGFUMIMSA-N 1 0 345.531 2.714 20 10 EFCDRO Cc1cc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c(C)n1-c1ccccn1 ZINC000286114956 475053383 /nfs/dbraw/zinc/05/33/83/475053383.db2.gz OFEWPQZADKQDNP-WPKBUWHJSA-N 1 0 326.444 2.605 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1F ZINC000293852578 475055041 /nfs/dbraw/zinc/05/50/41/475055041.db2.gz UHGSENDWFGSGME-UHFFFAOYSA-N 1 0 342.480 2.585 20 10 EFCDRO C[C@@H]([NH2+]CCCc1cnn(C)n1)c1cc(Br)ccc1O ZINC000293876268 475056355 /nfs/dbraw/zinc/05/63/55/475056355.db2.gz ZZGHCDABYNYPAO-SNVBAGLBSA-N 1 0 339.237 2.567 20 10 EFCDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000286236735 475056881 /nfs/dbraw/zinc/05/68/81/475056881.db2.gz RRJOKLADYIYJPT-DLBZAZTESA-N 1 0 335.517 2.633 20 10 EFCDRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000286236740 475057815 /nfs/dbraw/zinc/05/78/15/475057815.db2.gz RRJOKLADYIYJPT-IRXDYDNUSA-N 1 0 335.517 2.633 20 10 EFCDRO COc1ccc(O)c(C[NH2+]Cc2cccc(N3CCOCC3)c2)c1 ZINC000293933329 475060023 /nfs/dbraw/zinc/06/00/23/475060023.db2.gz NOQMXRZPRVWHPX-UHFFFAOYSA-N 1 0 328.412 2.527 20 10 EFCDRO CCCN(CC[NH+]1CCCCC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000286363228 475061833 /nfs/dbraw/zinc/06/18/33/475061833.db2.gz XFSIYYRUSWWCQX-VQHVLOKHSA-N 1 0 332.444 2.836 20 10 EFCDRO COCCN1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000281033136 475064638 /nfs/dbraw/zinc/06/46/38/475064638.db2.gz YRKGSWULSNPNBP-CQSZACIVSA-N 1 0 345.409 2.582 20 10 EFCDRO CCCOc1ccc(CN2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)c(O)c1 ZINC000286416415 475064837 /nfs/dbraw/zinc/06/48/37/475064837.db2.gz OPFCZALYYHGRNL-HKUYNNGSSA-N 1 0 348.487 2.866 20 10 EFCDRO CC1(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)COC1 ZINC000286418227 475065011 /nfs/dbraw/zinc/06/50/11/475065011.db2.gz IGLCJMVKYKOTEL-CYBMUJFWSA-N 1 0 326.387 2.883 20 10 EFCDRO Cc1ccc(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)c(O)c1O ZINC000286468694 475065879 /nfs/dbraw/zinc/06/58/79/475065879.db2.gz INQJHUUFNYWLQC-UHFFFAOYSA-N 1 0 332.400 2.593 20 10 EFCDRO Cc1cc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c(C)n1-c1ccccn1 ZINC000292531658 475073779 /nfs/dbraw/zinc/07/37/79/475073779.db2.gz KJBRDAUHRJHWBJ-FQEVSTJZSA-N 1 0 338.455 2.657 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[N@H+](CCO)CCCO)cc1 ZINC000294685369 475079522 /nfs/dbraw/zinc/07/95/22/475079522.db2.gz DLPVCULVYLFYNX-UHFFFAOYSA-N 1 0 334.485 2.561 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1O ZINC000294771345 475081328 /nfs/dbraw/zinc/08/13/28/475081328.db2.gz KFHQKKRPWSHJFE-CQSZACIVSA-N 1 0 334.460 2.905 20 10 EFCDRO Cc1cc(C(=O)NCCC[C@@H]2CCC[NH2+]2)c(C)n1-c1ccccn1 ZINC000294972463 475094850 /nfs/dbraw/zinc/09/48/50/475094850.db2.gz XMWAPMNJLLHRIY-INIZCTEOSA-N 1 0 326.444 2.751 20 10 EFCDRO C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268961080 475098148 /nfs/dbraw/zinc/09/81/48/475098148.db2.gz XISOEQYIGBDJJJ-AEFFLSMTSA-N 1 0 348.510 2.712 20 10 EFCDRO Cc1nccnc1CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000295027682 475098958 /nfs/dbraw/zinc/09/89/58/475098958.db2.gz OGGPQKZYEJZAJE-AWEZNQCLSA-N 1 0 344.434 2.654 20 10 EFCDRO COc1cc(O)c(C[NH2+]Cc2cnc(OC)c(Cl)c2)cc1OC ZINC000295020528 475099118 /nfs/dbraw/zinc/09/91/18/475099118.db2.gz NCLZZVOGESVIER-UHFFFAOYSA-N 1 0 338.791 2.756 20 10 EFCDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000295044504 475100170 /nfs/dbraw/zinc/10/01/70/475100170.db2.gz MWDURCIHIWWIAF-FQEVSTJZSA-N 1 0 346.471 2.688 20 10 EFCDRO C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cc2c(cc1O)CCCC2 ZINC000287242045 475100233 /nfs/dbraw/zinc/10/02/33/475100233.db2.gz YWTDGNAOGRUYQR-KBPBESRZSA-N 1 0 337.485 2.746 20 10 EFCDRO OCCCN1CCC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000295138056 475107696 /nfs/dbraw/zinc/10/76/96/475107696.db2.gz PLEYPWYKZQLJEF-LJQANCHMSA-N 1 0 331.504 2.613 20 10 EFCDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295681122 475130461 /nfs/dbraw/zinc/13/04/61/475130461.db2.gz HATGPZDGUUZDTM-HOTGVXAUSA-N 1 0 348.487 2.979 20 10 EFCDRO Cc1ccc([C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)N2CCOCC2)o1 ZINC000295914898 475134531 /nfs/dbraw/zinc/13/45/31/475134531.db2.gz JKSCPJCYXVLLLZ-DLBZAZTESA-N 1 0 342.439 2.944 20 10 EFCDRO COCC1(C[NH2+]Cc2cc(Cl)cc(OC)c2O)CCOCC1 ZINC000292697771 475156004 /nfs/dbraw/zinc/15/60/04/475156004.db2.gz BYRBBBVVDCCDNC-UHFFFAOYSA-N 1 0 329.824 2.587 20 10 EFCDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)o1 ZINC000269071739 475160348 /nfs/dbraw/zinc/16/03/48/475160348.db2.gz XCVIIHGIFZSBPT-RDTXWAMCSA-N 1 0 348.418 2.948 20 10 EFCDRO C[NH+](C)C1CCN(c2ccc(NCc3ccccc3O)nc2)CC1 ZINC000269105838 475173663 /nfs/dbraw/zinc/17/36/63/475173663.db2.gz AOGRUGODDGYBLX-UHFFFAOYSA-N 1 0 326.444 2.930 20 10 EFCDRO C[C@H]([NH2+]CC(C)(C)OCCO)c1ccc(Br)cc1O ZINC000287520126 475181731 /nfs/dbraw/zinc/18/17/31/475181731.db2.gz ZPADXZHADHRJIP-JTQLQIEISA-N 1 0 332.238 2.593 20 10 EFCDRO COc1c([O-])c(C[N@@H+]2CCC[C@H](CSC)C2)ccc1[N+](=O)[O-] ZINC000292773352 475191658 /nfs/dbraw/zinc/19/16/58/475191658.db2.gz KRCMOHDTHVKYSJ-NSHDSACASA-N 1 0 326.418 2.884 20 10 EFCDRO FC(F)(F)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000287557980 475194859 /nfs/dbraw/zinc/19/48/59/475194859.db2.gz GASALQMJYBOEPZ-HOCLYGCPSA-N 1 0 344.377 2.723 20 10 EFCDRO COC1CCN(c2ccc(C[N@@H+]3CCOC[C@@H]3C3CC3)cc2)CC1 ZINC000296240930 475235802 /nfs/dbraw/zinc/23/58/02/475235802.db2.gz IEFVSTWRTQCBQV-HXUWFJFHSA-N 1 0 330.472 2.913 20 10 EFCDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H](N3CCCCC3=O)C2)c1O ZINC000361366003 475389177 /nfs/dbraw/zinc/38/91/77/475389177.db2.gz RFKSMJHMGVXZDK-MRXNPFEDSA-N 1 0 348.418 2.711 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000350032097 476033880 /nfs/dbraw/zinc/03/38/80/476033880.db2.gz ITDXTTLPWIOKDO-ACJLOTCBSA-N 1 0 328.460 2.578 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000350081839 476042790 /nfs/dbraw/zinc/04/27/90/476042790.db2.gz QHAUWOWZFULZFD-HNNXBMFYSA-N 1 0 328.460 2.580 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000368785009 476371293 /nfs/dbraw/zinc/37/12/93/476371293.db2.gz SRRSFRUUYXUGRE-HXUWFJFHSA-N 1 0 338.407 2.887 20 10 EFCDRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(C)n1-c1ccccn1 ZINC000368926765 476379694 /nfs/dbraw/zinc/37/96/94/476379694.db2.gz QOBDVOMNNRIVOB-QGZVFWFLSA-N 1 0 338.455 2.799 20 10 EFCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1O ZINC000373325153 476392930 /nfs/dbraw/zinc/39/29/30/476392930.db2.gz SDPDIUMSIIIXKT-HNNXBMFYSA-N 1 0 326.234 2.810 20 10 EFCDRO COc1c(O)c(C[N@H+](C)[C@H]2CCCc3c2cnn3C)ccc1[N+](=O)[O-] ZINC000369326488 476409287 /nfs/dbraw/zinc/40/92/87/476409287.db2.gz ICZGPYLOZQGNLH-ZDUSSCGKSA-N 1 0 346.387 2.552 20 10 EFCDRO COc1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c(O)c1 ZINC000369546014 476425490 /nfs/dbraw/zinc/42/54/90/476425490.db2.gz MDXJEINLKJAZRH-HNNXBMFYSA-N 1 0 327.384 2.539 20 10 EFCDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000373929781 476442045 /nfs/dbraw/zinc/44/20/45/476442045.db2.gz RYAWIQXISFLZJB-IAGOWNOFSA-N 1 0 338.455 2.846 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)cc1 ZINC000374246793 476463886 /nfs/dbraw/zinc/46/38/86/476463886.db2.gz ASQCGKMQFSPZSW-QGZVFWFLSA-N 1 0 327.476 2.635 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1O ZINC000374256523 476464266 /nfs/dbraw/zinc/46/42/66/476464266.db2.gz NYKOLJFNJFATON-SJORKVTESA-N 1 0 345.443 2.613 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1O ZINC000369675644 476473236 /nfs/dbraw/zinc/47/32/36/476473236.db2.gz HNZAWQLBCIEOCW-OAHLLOKOSA-N 1 0 342.233 2.510 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000377622809 476481268 /nfs/dbraw/zinc/48/12/68/476481268.db2.gz IIQTYMYIYCWHCP-SJORKVTESA-N 1 0 331.460 2.941 20 10 EFCDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000377681897 476517820 /nfs/dbraw/zinc/51/78/20/476517820.db2.gz XJKJBTUHMLLXMC-CYBMUJFWSA-N 1 0 337.725 2.973 20 10 EFCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)c1 ZINC000377689508 476522938 /nfs/dbraw/zinc/52/29/38/476522938.db2.gz CCVKEXHEDKNFCL-IRXDYDNUSA-N 1 0 348.443 2.570 20 10 EFCDRO [O-]c1c(Cl)cccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000374990312 476625025 /nfs/dbraw/zinc/62/50/25/476625025.db2.gz MDXFDGWXJUPXAI-UHFFFAOYSA-N 1 0 338.879 2.980 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3cccc(CO)c3)CC2)cc1 ZINC000378165486 476685313 /nfs/dbraw/zinc/68/53/13/476685313.db2.gz GHONGXBGTFSBRM-UHFFFAOYSA-N 1 0 326.440 2.946 20 10 EFCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000423090475 476923864 /nfs/dbraw/zinc/92/38/64/476923864.db2.gz XRUGXYUMEBCSPE-KURKYZTESA-N 1 0 327.472 2.733 20 10 EFCDRO C[NH2+]Cc1ccccc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000415920787 476969533 /nfs/dbraw/zinc/96/95/33/476969533.db2.gz KPTAPVAPTCGVNR-UHFFFAOYSA-N 1 0 340.427 2.903 20 10 EFCDRO C[NH2+]Cc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000415978719 476976065 /nfs/dbraw/zinc/97/60/65/476976065.db2.gz CJDGMYGXLRJQEG-UHFFFAOYSA-N 1 0 340.427 2.903 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@@](C)(O)C(F)(F)F)CC2)cc1 ZINC000371439731 477319447 /nfs/dbraw/zinc/31/94/47/477319447.db2.gz MJKWBHUMKAMJGZ-OAHLLOKOSA-N 1 0 332.366 2.567 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000454874437 477413106 /nfs/dbraw/zinc/41/31/06/477413106.db2.gz MHXFOOISFZSGNO-OKILXGFUSA-N 1 0 328.460 2.721 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000418102651 477465363 /nfs/dbraw/zinc/46/53/63/477465363.db2.gz VBVOFYMRXORNRH-UHFFFAOYSA-N 1 0 340.471 2.772 20 10 EFCDRO COCC[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000377164373 477672649 /nfs/dbraw/zinc/67/26/49/477672649.db2.gz HQLTWAFDPDTUNK-FQEVSTJZSA-N 1 0 340.467 2.736 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420835525 477788141 /nfs/dbraw/zinc/78/81/41/477788141.db2.gz IROPQSWPZFKEAI-OAHLLOKOSA-N 1 0 328.460 2.722 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420835524 477788566 /nfs/dbraw/zinc/78/85/66/477788566.db2.gz IROPQSWPZFKEAI-HNNXBMFYSA-N 1 0 328.460 2.722 20 10 EFCDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccccc1O ZINC000368408796 477804144 /nfs/dbraw/zinc/80/41/44/477804144.db2.gz FMRIVNJLROFCLH-WMLDXEAASA-N 1 0 339.439 2.811 20 10 EFCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c1O ZINC000372679342 477809051 /nfs/dbraw/zinc/80/90/51/477809051.db2.gz BSQMKDRSRSBPNN-CYBMUJFWSA-N 1 0 331.391 2.847 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000471823437 478010486 /nfs/dbraw/zinc/01/04/86/478010486.db2.gz DUWQIOJVLOYSRS-CYBMUJFWSA-N 1 0 328.460 2.769 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000471972037 478012432 /nfs/dbraw/zinc/01/24/32/478012432.db2.gz DNYNESHATNYWJF-UKRRQHHQSA-N 1 0 328.460 2.769 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000472222317 478013272 /nfs/dbraw/zinc/01/32/72/478013272.db2.gz QAZWCZUTYBQYEJ-UHFFFAOYSA-N 1 0 340.471 2.724 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)ccc21 ZINC000570340063 478339436 /nfs/dbraw/zinc/33/94/36/478339436.db2.gz DJKLKGBSEBHOQC-OKILXGFUSA-N 1 0 343.471 2.727 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000579722062 478346654 /nfs/dbraw/zinc/34/66/54/478346654.db2.gz GEQXHPURXUXNNF-UHFFFAOYSA-N 1 0 328.460 2.757 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]([C@H](C)[NH3+])C3)ccc21 ZINC000581496167 478380977 /nfs/dbraw/zinc/38/09/77/478380977.db2.gz SPJOUJIRBSCPAB-YOEHRIQHSA-N 1 0 343.471 2.714 20 10 EFCDRO COC[C@]1([NH2+]Cc2ccc3c(c2)CCO3)COc2ccccc2C1 ZINC000527799201 478523138 /nfs/dbraw/zinc/52/31/38/478523138.db2.gz JTONUPPSWOBLJA-FQEVSTJZSA-N 1 0 325.408 2.731 20 10 EFCDRO CCOc1cccc(C[NH2+][C@@]2(COC)COc3ccccc3C2)c1O ZINC000527802042 478527286 /nfs/dbraw/zinc/52/72/86/478527286.db2.gz VAQSDVINTSFRDI-FQEVSTJZSA-N 1 0 343.423 2.901 20 10 EFCDRO CCn1nncc1C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000527920674 478571595 /nfs/dbraw/zinc/57/15/95/478571595.db2.gz QIIJWWDBYLMLJU-SECBINFHSA-N 1 0 325.210 2.617 20 10 EFCDRO COc1cccc([C@H](C[NH2+]Cc2cc(OC)c(OC)cc2O)OC)c1 ZINC000529637819 479232524 /nfs/dbraw/zinc/23/25/24/479232524.db2.gz FUZZAVVXVHXUCP-IBGZPJMESA-N 1 0 347.411 2.895 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC(C)([NH3+])CC3)ccc21 ZINC000653132885 481099157 /nfs/dbraw/zinc/09/91/57/481099157.db2.gz IXYVISKITXCWTD-UHFFFAOYSA-N 1 0 343.471 2.858 20 10 EFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(C[NH3+])c1 ZINC000667736535 481771756 /nfs/dbraw/zinc/77/17/56/481771756.db2.gz HOXYYXCRAGVVKV-UHFFFAOYSA-N 1 0 326.400 2.642 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)c1 ZINC000184953979 500853164 /nfs/dbraw/zinc/85/31/64/500853164.db2.gz OTRIZRULNZLFAI-CQSZACIVSA-N 1 0 338.411 2.891 20 10 EFCDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CC[NH3+])cc1 ZINC000163670303 533987203 /nfs/dbraw/zinc/98/72/03/533987203.db2.gz DDOIPSIVUWPGOY-UHFFFAOYSA-N 1 0 327.428 2.643 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCC(=O)N3CCCCC3)CC2)cc1 ZINC000163512849 533999585 /nfs/dbraw/zinc/99/95/85/533999585.db2.gz BKLSHZYDLIZTGG-UHFFFAOYSA-N 1 0 345.487 2.656 20 10 EFCDRO COC(=O)c1coc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)c1 ZINC000171033537 534314811 /nfs/dbraw/zinc/31/48/11/534314811.db2.gz JDELCUNEXFGKLZ-UHFFFAOYSA-N 1 0 344.411 2.787 20 10 EFCDRO Oc1ccccc1C[N@@H+](Cc1cnc2cnccn12)C[C@@H]1CCCO1 ZINC000160175906 534457154 /nfs/dbraw/zinc/45/71/54/534457154.db2.gz VFPHOVWOOPJABT-KRWDZBQOSA-N 1 0 338.411 2.616 20 10 EFCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000297965453 522311507 /nfs/dbraw/zinc/31/15/07/522311507.db2.gz ZMBMGXBYXBMMIZ-MLGOLLRUSA-N 1 0 346.452 2.638 20 10 EFCDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000174467845 527813862 /nfs/dbraw/zinc/81/38/62/527813862.db2.gz DTHRARDTSWQJGB-KRWDZBQOSA-N 1 0 340.471 2.903 20 10 EFCDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000075538632 527833775 /nfs/dbraw/zinc/83/37/75/527833775.db2.gz YJGLIBWHNGCHBW-KRWDZBQOSA-N 1 0 332.492 2.626 20 10 EFCDRO CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000158203800 528896845 /nfs/dbraw/zinc/89/68/45/528896845.db2.gz UDGNLHPUVCBSBO-UHFFFAOYSA-N 1 0 332.492 2.551 20 10 EFCDRO CC[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCS1 ZINC000174356372 529286231 /nfs/dbraw/zinc/28/62/31/529286231.db2.gz MZIKREVRNSBHKJ-KRWDZBQOSA-N 1 0 335.517 2.538 20 10 EFCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)cc1 ZINC000288504712 535327937 /nfs/dbraw/zinc/32/79/37/535327937.db2.gz IHQACBXYUYHJNY-MAUKXSAKSA-N 1 0 338.517 2.836 20 10 EFCDRO CCOc1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1O ZINC000263707596 535457834 /nfs/dbraw/zinc/45/78/34/535457834.db2.gz SPGUTADZVNXSRN-HNNXBMFYSA-N 1 0 333.403 2.871 20 10 EFCDRO CC[NH+](CC)Cc1ccc(CNC(=O)Cc2ccc(N)cc2)cc1 ZINC000236917692 535604667 /nfs/dbraw/zinc/60/46/67/535604667.db2.gz VNWUKSLTKNZOFC-UHFFFAOYSA-N 1 0 325.456 2.970 20 10 EFCDRO CCC[C@H]([NH3+])C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000236928605 535680632 /nfs/dbraw/zinc/68/06/32/535680632.db2.gz FIRXUXNVVQOQBU-WFASDCNBSA-N 1 0 341.402 2.500 20 10 EFCDRO CCOC1CC(C[NH2+][C@@H](CC)c2ccccc2O)(N2CCOCC2)C1 ZINC000193396709 535756970 /nfs/dbraw/zinc/75/69/70/535756970.db2.gz UIJCXOVPEMKNPS-IPCDKGFNSA-N 1 0 348.487 2.703 20 10 EFCDRO CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1[O-] ZINC000367616617 535808974 /nfs/dbraw/zinc/80/89/74/535808974.db2.gz LQSUHNKRYSRYSJ-MAUKXSAKSA-N 1 0 335.467 2.741 20 10 EFCDRO CN1CCCc2cc(C[NH2+]Cc3ccc4c(c3)NC(=O)CO4)ccc21 ZINC000294118943 536396466 /nfs/dbraw/zinc/39/64/66/536396466.db2.gz GIYDMQUJIVTJOC-UHFFFAOYSA-N 1 0 337.423 2.690 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NCC[C@H]3CC[NH2+]C3)c2C)cc1 ZINC000262599509 536550044 /nfs/dbraw/zinc/55/00/44/536550044.db2.gz WVFDRNLXKUOXOW-MRXNPFEDSA-N 1 0 341.455 2.832 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NC3CC[NH2+]CC3)c2C)cc1 ZINC000262514425 536550496 /nfs/dbraw/zinc/55/04/96/536550496.db2.gz QUZOWOBMVRLVIF-UHFFFAOYSA-N 1 0 327.428 2.585 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H](CO)c3ccccc3)CC2)cc1 ZINC000305108735 536669847 /nfs/dbraw/zinc/66/98/47/536669847.db2.gz DVZQRYKLZXXUOX-FQEVSTJZSA-N 1 0 326.440 2.987 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H]3CC(=O)N(C(C)(C)C)C3)CC2)cc1 ZINC000362292458 536670717 /nfs/dbraw/zinc/67/07/17/536670717.db2.gz BLEBJFOFZSYTCX-INIZCTEOSA-N 1 0 345.487 2.653 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCCOC3CCOCC3)CC2)cc1 ZINC000362032543 536670944 /nfs/dbraw/zinc/67/09/44/536670944.db2.gz NJQIKZUFQYUJHZ-UHFFFAOYSA-N 1 0 348.487 2.839 20 10 EFCDRO COc1ccc(N2CCC[N@H+](Cc3ccc(CO)cc3)CC2)cc1 ZINC000305837061 536671831 /nfs/dbraw/zinc/67/18/31/536671831.db2.gz PYKNZDNYTYGLEV-UHFFFAOYSA-N 1 0 326.440 2.900 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@@H]2CCc3ccccc3OC2)cc1OC ZINC000367350184 536856555 /nfs/dbraw/zinc/85/65/55/536856555.db2.gz SNEMDOLCXYVEBO-OAHLLOKOSA-N 1 0 329.396 2.893 20 10 EFCDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)[C@@H]2C1 ZINC000272473885 545633677 /nfs/dbraw/zinc/63/36/77/545633677.db2.gz QOAICCMRXPWCBN-IEBWSBKVSA-N 1 0 342.487 2.522 20 10 EFCDRO C[C@](CO)([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000754048335 575380096 /nfs/dbraw/zinc/38/00/96/575380096.db2.gz PZPVZGAPNBEHNG-GOSISDBHSA-N 1 0 333.432 2.836 20 10 EFCDRO Oc1ccccc1C[N@@H+](C[C@H](O)COC1CCOCC1)C1CCCC1 ZINC000755943251 575660589 /nfs/dbraw/zinc/66/05/89/575660589.db2.gz GPAAUFHPEZFKDW-SFHVURJKSA-N 1 0 349.471 2.693 20 10 EFCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2=O)c1 ZINC000756148956 575693843 /nfs/dbraw/zinc/69/38/43/575693843.db2.gz IGEFGQZVZKZCBA-OAHLLOKOSA-N 1 0 332.350 2.874 20 10 EFCDRO CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000756364016 575723781 /nfs/dbraw/zinc/72/37/81/575723781.db2.gz RQZJAIAZCCRDLN-JTQLQIEISA-N 1 0 341.249 2.816 20 10 EFCDRO COCCOc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cn1 ZINC000756431156 575738224 /nfs/dbraw/zinc/73/82/24/575738224.db2.gz BUCKPSCANJTKNI-ZDUSSCGKSA-N 1 0 332.400 2.672 20 10 EFCDRO CNC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000756435132 575738797 /nfs/dbraw/zinc/73/87/97/575738797.db2.gz WNAWSFWJTVXYJQ-CQSZACIVSA-N 1 0 328.412 2.676 20 10 EFCDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000756447359 575741508 /nfs/dbraw/zinc/74/15/08/575741508.db2.gz UQYQVZWDHPNSGP-CQSZACIVSA-N 1 0 348.468 2.601 20 10 EFCDRO C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1cc(F)ccc1O ZINC000756454713 575742267 /nfs/dbraw/zinc/74/22/67/575742267.db2.gz FCIYPOYILFTTOR-ZDUSSCGKSA-N 1 0 337.416 2.797 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c2cnn3CCO)c2c1c(F)ccc2O ZINC000756459906 575742576 /nfs/dbraw/zinc/74/25/76/575742576.db2.gz QBQACAXAQITHQO-UGFHNGPFSA-N 1 0 345.418 2.936 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)c(O)c1C ZINC000756484568 575747346 /nfs/dbraw/zinc/74/73/46/575747346.db2.gz YTBZRGQRJWBDRK-HNNXBMFYSA-N 1 0 348.468 2.638 20 10 EFCDRO C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cc(Br)ccc1O ZINC000756545495 575759070 /nfs/dbraw/zinc/75/90/70/575759070.db2.gz MRKPSKJZVQSMOA-NWDGAFQWSA-N 1 0 343.265 2.526 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000756572649 575764467 /nfs/dbraw/zinc/76/44/67/575764467.db2.gz HHUNFOKVOBCANN-PBHICJAKSA-N 1 0 334.460 2.695 20 10 EFCDRO CCc1nncn1CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000756620890 575768955 /nfs/dbraw/zinc/76/89/55/575768955.db2.gz OESDYEDMKVVPFQ-SNVBAGLBSA-N 1 0 339.237 2.659 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c(O)c1 ZINC000756756223 575784212 /nfs/dbraw/zinc/78/42/12/575784212.db2.gz GJIVWRJMLUMQPC-CYBMUJFWSA-N 1 0 331.437 2.881 20 10 EFCDRO C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc(F)cc(F)c1[O-] ZINC000756764897 575785220 /nfs/dbraw/zinc/78/52/20/575785220.db2.gz LPVXDEVVJXZAKB-GOPGUHFVSA-N 1 0 340.414 2.699 20 10 EFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CN1C[C@@]2(CCOC2)CC1=O ZINC000756849575 575791938 /nfs/dbraw/zinc/79/19/38/575791938.db2.gz UHBJSPGAEOTFCE-HXUWFJFHSA-N 1 0 345.487 2.560 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000757635034 575846540 /nfs/dbraw/zinc/84/65/40/575846540.db2.gz MCBNILJXVAALBD-BEFAXECRSA-N 1 0 344.503 2.815 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCS2(=O)=O)c2c1c(F)ccc2O ZINC000757656979 575848050 /nfs/dbraw/zinc/84/80/50/575848050.db2.gz SXDAGCFIVOVDNE-WZRBSPASSA-N 1 0 327.421 2.637 20 10 EFCDRO O=S1(=O)CCc2cc(C[NH2+]Cc3c(O)cccc3Cl)ccc21 ZINC000757691671 575850092 /nfs/dbraw/zinc/85/00/92/575850092.db2.gz BJSYLNRUZSVUCH-UHFFFAOYSA-N 1 0 337.828 2.665 20 10 EFCDRO COc1cccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1O ZINC000758521244 575871484 /nfs/dbraw/zinc/87/14/84/575871484.db2.gz ARLQWKLBJDZFHW-VQIMIIECSA-N 1 0 331.387 2.796 20 10 EFCDRO Cn1ccc(CC[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000760647618 576057650 /nfs/dbraw/zinc/05/76/50/576057650.db2.gz DCAWDIWHCJTWDK-UHFFFAOYSA-N 1 0 343.431 2.651 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+](C)CC[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000760807628 576076447 /nfs/dbraw/zinc/07/64/47/576076447.db2.gz GQTXVNQZLQVHPZ-QGZVFWFLSA-N 1 0 338.517 2.789 20 10 EFCDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000760883215 576084691 /nfs/dbraw/zinc/08/46/91/576084691.db2.gz ARZXGWAAWMSTEI-PSOPSSQASA-N 1 0 344.249 2.999 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](CO)Cc2ccco2)c1O ZINC000761215339 576130699 /nfs/dbraw/zinc/13/06/99/576130699.db2.gz KOMQFGZZLHLXRU-LLVKDONJSA-N 1 0 325.792 2.588 20 10 EFCDRO CN(Cc1cccc2c1OCO2)c1ccc(OCC[NH+](C)C)cc1 ZINC000761221906 576131881 /nfs/dbraw/zinc/13/18/81/576131881.db2.gz GBEAJYYJHKRHDH-UHFFFAOYSA-N 1 0 328.412 2.992 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)c(O)c1 ZINC000761226767 576132832 /nfs/dbraw/zinc/13/28/32/576132832.db2.gz UASBWYJECYYXIT-UHFFFAOYSA-N 1 0 332.444 2.624 20 10 EFCDRO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000761988550 576238610 /nfs/dbraw/zinc/23/86/10/576238610.db2.gz HARNTNDYKPJKLI-CQSZACIVSA-N 1 0 333.453 2.972 20 10 EFCDRO Oc1cc2c(cc1C[NH+]1CCC(c3ccncc3)CC1)[C@@H](O)CO2 ZINC000762094884 576255700 /nfs/dbraw/zinc/25/57/00/576255700.db2.gz AIJZJCROCUIUHT-SFHVURJKSA-N 1 0 326.396 2.593 20 10 EFCDRO Cc1cnc(C2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)s1 ZINC000762167984 576268602 /nfs/dbraw/zinc/26/86/02/576268602.db2.gz FKGSSMQUPQGDDC-MRXNPFEDSA-N 1 0 346.452 2.963 20 10 EFCDRO COC(=O)CCC(C)(C)[NH2+]Cc1cc(Br)ccc1O ZINC000762785434 576331167 /nfs/dbraw/zinc/33/11/67/576331167.db2.gz IOAUNPUKEDIQNV-UHFFFAOYSA-N 1 0 330.222 2.976 20 10 EFCDRO OCC[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C1CCOCC1 ZINC000763467799 576378413 /nfs/dbraw/zinc/37/84/13/576378413.db2.gz STCKWCAVZPXJFL-FQEVSTJZSA-N 1 0 332.488 2.944 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]CCCN2CCCO[C@H](C)C2)c1O ZINC000763661164 576384919 /nfs/dbraw/zinc/38/49/19/576384919.db2.gz NNIHOEUNZZSSMX-CYBMUJFWSA-N 1 0 342.867 2.645 20 10 EFCDRO C[N@H+](CC(=O)NCc1ccc(N2CCCCC2)cc1)[C@H]1CCSC1 ZINC000764018410 576422316 /nfs/dbraw/zinc/42/23/16/576422316.db2.gz IEVKIVQOOVZTDW-SFHVURJKSA-N 1 0 347.528 2.730 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(N(C)C)nc3)CC2)cc1 ZINC000764865048 576514376 /nfs/dbraw/zinc/51/43/76/576514376.db2.gz PLMHMTWWQPEEPX-UHFFFAOYSA-N 1 0 340.471 2.915 20 10 EFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cncn3)nc2)cc1 ZINC000764958170 576528958 /nfs/dbraw/zinc/52/89/58/576528958.db2.gz SLTXLATWQREKSQ-OAHLLOKOSA-N 1 0 336.443 2.969 20 10 EFCDRO COc1ccc(N2CC[NH+](CCCc3ccncc3)CC2)cc1F ZINC000764974944 576531757 /nfs/dbraw/zinc/53/17/57/576531757.db2.gz KNGVZZOGWVPCGA-UHFFFAOYSA-N 1 0 329.419 2.984 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccoc1 ZINC000765252890 577023169 /nfs/dbraw/zinc/02/31/69/577023169.db2.gz JWBPNUJHADBPSR-GDBMZVCRSA-N 1 0 327.428 2.832 20 10 EFCDRO CCCC[C@@H](COC)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000765254434 577023605 /nfs/dbraw/zinc/02/36/05/577023605.db2.gz MQJDWEQSOHHSHY-ROUUACIJSA-N 1 0 347.503 2.683 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CCOCC1 ZINC000765298540 577029159 /nfs/dbraw/zinc/02/91/59/577029159.db2.gz WKMUFLFVNHDFHN-MRXNPFEDSA-N 1 0 332.488 2.800 20 10 EFCDRO C[C@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000765309499 577030913 /nfs/dbraw/zinc/03/09/13/577030913.db2.gz DXLPHJGGAKATGN-AWEZNQCLSA-N 1 0 329.419 2.972 20 10 EFCDRO C[C@H]([NH2+]CCOCC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000765361696 577034934 /nfs/dbraw/zinc/03/49/34/577034934.db2.gz AVIVVWHYQCUGLZ-ZDUSSCGKSA-N 1 0 332.366 2.753 20 10 EFCDRO C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765437075 577042020 /nfs/dbraw/zinc/04/20/20/577042020.db2.gz DOMDWUYRSVLGMR-HOTGVXAUSA-N 1 0 326.444 2.595 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765781182 577076257 /nfs/dbraw/zinc/07/62/57/577076257.db2.gz OBJWXSGJWFTIEF-GOEBONIOSA-N 1 0 333.451 2.550 20 10 EFCDRO C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765937472 577089990 /nfs/dbraw/zinc/08/99/90/577089990.db2.gz VPRJWBWHNLNXDY-ACJLOTCBSA-N 1 0 338.879 2.988 20 10 EFCDRO Cc1[nH]nc2ncc(NCc3ccc(N4CC[NH+](C)CC4)cc3)cc12 ZINC000765944713 577090837 /nfs/dbraw/zinc/09/08/37/577090837.db2.gz MKFYVAVRKROANG-UHFFFAOYSA-N 1 0 336.443 2.630 20 10 EFCDRO CCCCC[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979404 577094712 /nfs/dbraw/zinc/09/47/12/577094712.db2.gz SMEQDKKVCPJYGM-MRXNPFEDSA-N 1 0 338.517 2.980 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)o1 ZINC000765980833 577094924 /nfs/dbraw/zinc/09/49/24/577094924.db2.gz SMYUJSDHCXZHSZ-HNNXBMFYSA-N 1 0 348.468 2.674 20 10 EFCDRO C[C@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766270204 577129244 /nfs/dbraw/zinc/12/92/44/577129244.db2.gz PCSYMUFJZLKAIP-HOTGVXAUSA-N 1 0 335.467 2.797 20 10 EFCDRO COc1cccc(C[NH2+]Cc2cc(OC)c(OC)cc2OC)c1O ZINC000725841587 577243753 /nfs/dbraw/zinc/24/37/53/577243753.db2.gz IHSJQWMYGZWWCZ-UHFFFAOYSA-N 1 0 333.384 2.716 20 10 EFCDRO Oc1cc2c(cc1C[NH2+]Cc1ccccc1Cn1ccnc1)OCO2 ZINC000725845065 577246260 /nfs/dbraw/zinc/24/62/60/577246260.db2.gz IBAYZMJEXXRUEG-UHFFFAOYSA-N 1 0 337.379 2.656 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1)OCO2 ZINC000725846778 577247289 /nfs/dbraw/zinc/24/72/89/577247289.db2.gz MTGXFNBHMCVUHC-LLVKDONJSA-N 1 0 333.306 2.664 20 10 EFCDRO CN(C)C(=O)CCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725849276 577249475 /nfs/dbraw/zinc/24/94/75/577249475.db2.gz YUNWFWJWKGPEAJ-UHFFFAOYSA-N 1 0 348.447 2.543 20 10 EFCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H](O)COCC1CC1 ZINC000725850180 577249969 /nfs/dbraw/zinc/24/99/69/577249969.db2.gz PEBQCPYGDBCWFS-IBGZPJMESA-N 1 0 327.424 2.936 20 10 EFCDRO COc1cccc(C[NH2+]CC(=O)Nc2cccc3cccnc32)c1O ZINC000725851647 577250751 /nfs/dbraw/zinc/25/07/51/577250751.db2.gz TVESTRQJKXZKTO-UHFFFAOYSA-N 1 0 337.379 2.677 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000768160402 577258626 /nfs/dbraw/zinc/25/86/26/577258626.db2.gz LYRHHYDVYYFSOL-UHFFFAOYSA-N 1 0 329.396 2.976 20 10 EFCDRO COc1cccc(O)c1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000768208539 577260876 /nfs/dbraw/zinc/26/08/76/577260876.db2.gz SPLURJRPNNDKLR-UHFFFAOYSA-N 1 0 342.439 2.869 20 10 EFCDRO CCNC(=O)N1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000768212601 577261105 /nfs/dbraw/zinc/26/11/05/577261105.db2.gz MPOGUHJCAIWXRY-UHFFFAOYSA-N 1 0 339.439 2.906 20 10 EFCDRO CC(C)CNC(=O)C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000768227556 577261770 /nfs/dbraw/zinc/26/17/70/577261770.db2.gz BNJQUZSZOAHEML-UHFFFAOYSA-N 1 0 335.467 2.876 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000768243060 577262630 /nfs/dbraw/zinc/26/26/30/577262630.db2.gz BYDLXVVYNLLLPD-CQSZACIVSA-N 1 0 336.432 2.890 20 10 EFCDRO C[NH+](C)CC1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000768302633 577265321 /nfs/dbraw/zinc/26/53/21/577265321.db2.gz OMCBWILUZKUGOE-UHFFFAOYSA-N 1 0 327.812 2.727 20 10 EFCDRO C[N@H+](CCCOc1ccc(F)cc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768440219 577273724 /nfs/dbraw/zinc/27/37/24/577273724.db2.gz UMDQREWFRBWZMZ-GOSISDBHSA-N 1 0 347.386 2.858 20 10 EFCDRO COc1ccc(C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C2CC2)cc1 ZINC000768442523 577273748 /nfs/dbraw/zinc/27/37/48/577273748.db2.gz RVEPYHAPWRVFNC-IBGZPJMESA-N 1 0 341.407 2.991 20 10 EFCDRO CCOC(=O)N1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768443606 577273962 /nfs/dbraw/zinc/27/39/62/577273962.db2.gz HMQUOEHQKCQBPH-UHFFFAOYSA-N 1 0 332.444 2.935 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](c3ccccc3F)C1)[C@H](O)CO2 ZINC000768448532 577274640 /nfs/dbraw/zinc/27/46/40/577274640.db2.gz CLRYNIPODYJWBH-KPZWWZAWSA-N 1 0 329.371 2.947 20 10 EFCDRO COc1ccccc1[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768448345 577274692 /nfs/dbraw/zinc/27/46/92/577274692.db2.gz UMMUVAWGJLRVJU-SCLBCKFNSA-N 1 0 341.407 2.816 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](c3cccc(F)c3)C1)[C@H](O)CO2 ZINC000768452705 577275070 /nfs/dbraw/zinc/27/50/70/577275070.db2.gz QVDBSFMPELSEEE-SCLBCKFNSA-N 1 0 329.371 2.947 20 10 EFCDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462502 577275749 /nfs/dbraw/zinc/27/57/49/577275749.db2.gz MCJVXRWQSKAXCY-CGTJXYLNSA-N 1 0 335.444 2.844 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](c3ccc(F)cc3)C1)[C@@H](O)CO2 ZINC000768463408 577275962 /nfs/dbraw/zinc/27/59/62/577275962.db2.gz IEYYJCNZIHRDNK-UGSOOPFHSA-N 1 0 329.371 2.947 20 10 EFCDRO CCC[C@H]1CN(Cc2cc(OC)c(C)cc2O)CC[N@@H+]1CCOC ZINC000768464607 577276278 /nfs/dbraw/zinc/27/62/78/577276278.db2.gz CYKAWYRVTCORII-KRWDZBQOSA-N 1 0 336.476 2.642 20 10 EFCDRO CCC[C@@H]1CN(Cc2cc(OC)c(C)cc2O)CC[N@@H+]1CCOC ZINC000768464608 577276326 /nfs/dbraw/zinc/27/63/26/577276326.db2.gz CYKAWYRVTCORII-QGZVFWFLSA-N 1 0 336.476 2.642 20 10 EFCDRO Cc1cc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000768845813 577308984 /nfs/dbraw/zinc/30/89/84/577308984.db2.gz OSUXNZKZRAFARC-CABCVRRESA-N 1 0 326.444 2.654 20 10 EFCDRO Cc1cc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000768845816 577309017 /nfs/dbraw/zinc/30/90/17/577309017.db2.gz OSUXNZKZRAFARC-GJZGRUSLSA-N 1 0 326.444 2.654 20 10 EFCDRO CCOc1ccc(C[NH+]2CCN(c3cc(C)ccn3)CC2)c(O)c1 ZINC000768891798 577314593 /nfs/dbraw/zinc/31/45/93/577314593.db2.gz XSPAOYMRBVMUFO-UHFFFAOYSA-N 1 0 327.428 2.817 20 10 EFCDRO CCOc1ccc(C[N@H+](C)C[C@@H](O)COCc2ccccc2)c(O)c1 ZINC000769099279 577334269 /nfs/dbraw/zinc/33/42/69/577334269.db2.gz CIHOYMRMMFGPNE-GOSISDBHSA-N 1 0 345.439 2.800 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000769101923 577334435 /nfs/dbraw/zinc/33/44/35/577334435.db2.gz JXRRXBOHHLGGOU-UHFFFAOYSA-N 1 0 346.452 2.857 20 10 EFCDRO COc1ccccc1CN1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000769317416 577351632 /nfs/dbraw/zinc/35/16/32/577351632.db2.gz PEURHWXQWADKIP-UHFFFAOYSA-N 1 0 342.439 2.727 20 10 EFCDRO COc1cc(Br)cc(CN2CCCOC[C@@H]2C)c1O ZINC000769458432 577363452 /nfs/dbraw/zinc/36/34/52/577363452.db2.gz UQYBWANWEYEAID-JTQLQIEISA-N 1 0 330.222 2.774 20 10 EFCDRO CNC(=O)CCC[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769505315 577367998 /nfs/dbraw/zinc/36/79/98/577367998.db2.gz DTRPZIQPTWZWMU-UHFFFAOYSA-N 1 0 348.447 2.543 20 10 EFCDRO Fc1cc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)ccc1N1CCOCC1 ZINC000769515450 577369239 /nfs/dbraw/zinc/36/92/39/577369239.db2.gz QSQZDZOVTQRJHA-DLBZAZTESA-N 1 0 334.435 2.521 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c(O)c1 ZINC000769516087 577369376 /nfs/dbraw/zinc/36/93/76/577369376.db2.gz YOPITVFPNDOCKQ-OAHLLOKOSA-N 1 0 333.350 2.926 20 10 EFCDRO COc1ccc(O)c(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000769541826 577371421 /nfs/dbraw/zinc/37/14/21/577371421.db2.gz OQJMRJPQQOKSKC-UHFFFAOYSA-N 1 0 340.423 2.927 20 10 EFCDRO CC(C)N1C(=O)CN(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)C1=O ZINC000726587614 577374650 /nfs/dbraw/zinc/37/46/50/577374650.db2.gz XLLDYIOKTUOURB-UHFFFAOYSA-N 1 0 346.475 2.593 20 10 EFCDRO C[C@@H]([NH2+]CCO[C@@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000769787199 577384994 /nfs/dbraw/zinc/38/49/94/577384994.db2.gz PRHXDVOEXKUWDA-VQIMIIECSA-N 1 0 334.460 2.717 20 10 EFCDRO CC[N@H+](Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-])C1CCC1 ZINC000738057293 577403285 /nfs/dbraw/zinc/40/32/85/577403285.db2.gz QKTIYMFVZVKXDV-UHFFFAOYSA-N 1 0 346.471 2.801 20 10 EFCDRO CCC[C@H]1CN(Cc2ccc(OCC)cc2O)CC[N@@H+]1CCOC ZINC000770284466 577409880 /nfs/dbraw/zinc/40/98/80/577409880.db2.gz REPGEIJBIPJFQS-KRWDZBQOSA-N 1 0 336.476 2.724 20 10 EFCDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(N4CCOCC4)c(F)c3)CC[C@H]21 ZINC000770351133 577412320 /nfs/dbraw/zinc/41/23/20/577412320.db2.gz JHBVLFPWBAOACW-PKOBYXMFSA-N 1 0 347.478 2.578 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c(O)c1 ZINC000770382919 577414107 /nfs/dbraw/zinc/41/41/07/577414107.db2.gz FQLIUXWEAPCUQB-FUHWJXTLSA-N 1 0 345.443 2.613 20 10 EFCDRO Cc1ccc(C(=O)NCC2CC[NH+](CCC(C)C)CC2)c(O)c1O ZINC000770506338 577422272 /nfs/dbraw/zinc/42/22/72/577422272.db2.gz QNANNIOCTJCIAF-UHFFFAOYSA-N 1 0 334.460 2.894 20 10 EFCDRO COCC[N@H+](C)CCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000726983164 577427511 /nfs/dbraw/zinc/42/75/11/577427511.db2.gz MZMMLZVWFNNGEY-UHFFFAOYSA-N 1 0 343.471 2.711 20 10 EFCDRO Cc1cccc2c1C(=O)N[C@@H](c1ccc(N3CC[NH+](C)CC3)cc1)N2 ZINC000771521011 581220228 /nfs/dbraw/zinc/22/02/28/581220228.db2.gz NICJVRPIZWMQGW-IBGZPJMESA-N 1 0 336.439 2.601 20 10 EFCDRO Cc1cccc2c1N[C@@H](c1ccc(N3CC[NH+](C)CC3)cc1)NC2=O ZINC000771521473 581220260 /nfs/dbraw/zinc/22/02/60/581220260.db2.gz SNYDUWXBTDJLHZ-LJQANCHMSA-N 1 0 336.439 2.601 20 10 EFCDRO CCC1(O)CCC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000771874113 581253564 /nfs/dbraw/zinc/25/35/64/581253564.db2.gz ISLSCRRXKTWLLM-UHFFFAOYSA-N 1 0 336.451 2.836 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc(NS(C)(=O)=O)c2)cc1 ZINC000771935202 581261540 /nfs/dbraw/zinc/26/15/40/581261540.db2.gz ONNASKICRMVFER-UHFFFAOYSA-N 1 0 347.484 2.756 20 10 EFCDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000773274882 581413009 /nfs/dbraw/zinc/41/30/09/581413009.db2.gz XXQLDWVUCIKMKC-WBAXXEDZSA-N 1 0 330.476 2.740 20 10 EFCDRO Cc1cc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)c(C)n1-c1ccccn1 ZINC000773368993 581423628 /nfs/dbraw/zinc/42/36/28/581423628.db2.gz FWRDOWASZPMCBC-UHFFFAOYSA-N 1 0 326.444 2.655 20 10 EFCDRO C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000773368121 581423713 /nfs/dbraw/zinc/42/37/13/581423713.db2.gz OSWLECFZEGUFNN-JKSUJKDBSA-N 1 0 332.492 2.845 20 10 EFCDRO C[C@H](NC(=O)NCCC1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000773371887 581423989 /nfs/dbraw/zinc/42/39/89/581423989.db2.gz LLMIKXHHDQLBSC-HNNXBMFYSA-N 1 0 332.492 2.845 20 10 EFCDRO C[C@H](NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773394550 581426487 /nfs/dbraw/zinc/42/64/87/581426487.db2.gz ZXHMKSDOVIOZTA-GLJUWKHASA-N 1 0 330.476 2.596 20 10 EFCDRO C[C@@H](NC(=O)N(C)CC1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000773610283 581450363 /nfs/dbraw/zinc/45/03/63/581450363.db2.gz HKBLJPRXCYOPTL-OAHLLOKOSA-N 1 0 332.492 2.797 20 10 EFCDRO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773615259 581450723 /nfs/dbraw/zinc/45/07/23/581450723.db2.gz VRNHOMBCZOIQHY-MAUKXSAKSA-N 1 0 332.492 2.939 20 10 EFCDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](C(=O)NCCOC)CC[C@@H]2C)cc1 ZINC000773748920 581461088 /nfs/dbraw/zinc/46/10/88/581461088.db2.gz GEEDEPBFDDHNEM-FUHWJXTLSA-N 1 0 347.503 2.506 20 10 EFCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000773848907 581469352 /nfs/dbraw/zinc/46/93/52/581469352.db2.gz PZMKNOQSUMGHAZ-CQSZACIVSA-N 1 0 343.393 2.643 20 10 EFCDRO COc1c(O)c(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000774839866 581502139 /nfs/dbraw/zinc/50/21/39/581502139.db2.gz FOQONRGGKBFFOX-CYBMUJFWSA-N 1 0 346.383 2.692 20 10 EFCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825643025 608525978 /nfs/dbraw/zinc/52/59/78/608525978.db2.gz FYZVDSVFHRRSFC-UHFFFAOYSA-N 1 0 339.399 2.603 20 10 EFCDRO COc1cc(C[NH2+][C@@H](C)CN2CCCC2=O)c(O)c(C(C)(C)C)c1 ZINC000850038224 1250238528 /nfs/dbraw/zinc/23/85/28/1250238528.db2.gz SPXCVEKCPJFQHP-ZDUSSCGKSA-N 1 0 334.460 2.799 20 10 EFCDRO COCC[C@](C)(O)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850138749 1250310087 /nfs/dbraw/zinc/31/00/87/1250310087.db2.gz JIVYEZFOOZQLSJ-SFHVURJKSA-N 1 0 325.449 2.575 20 10 EFCDRO COc1cc(C[NH2+]CCCO[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850184272 1250344246 /nfs/dbraw/zinc/34/42/46/1250344246.db2.gz OGIDXFIWNGAMOZ-HNNXBMFYSA-N 1 0 337.460 2.984 20 10 EFCDRO CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3cc(F)ccc3O)C2)C1=O ZINC001273283917 1265476112 /nfs/dbraw/zinc/47/61/12/1265476112.db2.gz CBXSCKKUKJZJKH-YJYMSZOUSA-N 1 0 348.418 2.671 20 10 EFCDRO O=C1C[C@]2(CN1CC(F)F)CCCC[N@H+]2Cc1cc(F)ccc1O ZINC001273285263 1265477259 /nfs/dbraw/zinc/47/72/59/1265477259.db2.gz OKLSNEMDBQVGEP-KRWDZBQOSA-N 1 0 342.361 2.753 20 10 EFCDRO O=C1C[C@@]2(CN1CC(F)F)CCCC[N@H+]2Cc1cc(F)ccc1O ZINC001273285264 1265477499 /nfs/dbraw/zinc/47/74/99/1265477499.db2.gz OKLSNEMDBQVGEP-QGZVFWFLSA-N 1 0 342.361 2.753 20 10 EFCDRO COCC[C@@]1([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CCOC1 ZINC000850281736 1250395526 /nfs/dbraw/zinc/39/55/26/1250395526.db2.gz YFFRBVJBGKKBOR-LJQANCHMSA-N 1 0 337.460 2.984 20 10 EFCDRO COC[C@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H]1CCCO1 ZINC000850281103 1250395769 /nfs/dbraw/zinc/39/57/69/1250395769.db2.gz OTUQJTRZUZSJQE-IRXDYDNUSA-N 1 0 337.460 2.982 20 10 EFCDRO COc1cc(C[NH2+]CCCc2cnn(C)n2)c(O)c(C(C)(C)C)c1 ZINC000850312076 1250419733 /nfs/dbraw/zinc/41/97/33/1250419733.db2.gz YPOGLEBAPFNTAH-UHFFFAOYSA-N 1 0 332.448 2.549 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3c(C4CC4)cnn3C)C2)cc1 ZINC000850331120 1250431822 /nfs/dbraw/zinc/43/18/22/1250431822.db2.gz XGTJHYKAZFSUCF-OAHLLOKOSA-N 1 0 340.471 2.922 20 10 EFCDRO COc1cc(C[NH2+]CCCCS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000850329727 1250433687 /nfs/dbraw/zinc/43/36/87/1250433687.db2.gz BQIXYNACULUULW-UHFFFAOYSA-N 1 0 343.489 2.613 20 10 EFCDRO Fc1ccc2c(c1)OC[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC000850380803 1250458796 /nfs/dbraw/zinc/45/87/96/1250458796.db2.gz MSUVFQCEHCLYFW-GOSISDBHSA-N 1 0 342.414 2.756 20 10 EFCDRO COc1cc(CNCc2nc(C(N)=O)cs2)c(O)c(C(C)(C)C)c1 ZINC000850384585 1250458906 /nfs/dbraw/zinc/45/89/06/1250458906.db2.gz YUNVJAZAIDIDLF-UHFFFAOYSA-N 1 0 349.456 2.544 20 10 EFCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000850400773 1250466948 /nfs/dbraw/zinc/46/69/48/1250466948.db2.gz NOOPQQWHOHQSLU-IBGZPJMESA-N 1 0 336.451 2.957 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2)CC1 ZINC000850405975 1250468197 /nfs/dbraw/zinc/46/81/97/1250468197.db2.gz MJVDKVLGDWWYQP-UHFFFAOYSA-N 1 0 338.451 2.872 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cccnc3Cl)cc2)CC1 ZINC000850406093 1250468802 /nfs/dbraw/zinc/46/88/02/1250468802.db2.gz RBWIUZAAUKUPDM-UHFFFAOYSA-N 1 0 331.847 2.986 20 10 EFCDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000850548384 1250529727 /nfs/dbraw/zinc/52/97/27/1250529727.db2.gz PUSKXOSMBJMUJK-VIFPVBQESA-N 1 0 331.210 2.504 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]C2CCN([C@@H]3CCOC3)CC2)c2c1c(F)ccc2O ZINC000850557756 1250535420 /nfs/dbraw/zinc/53/54/20/1250535420.db2.gz SDWBYCLMQHGQTN-XPKDYRNWSA-N 1 0 334.435 2.923 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]C2CCN([C@H]3CCOC3)CC2)c2c1c(F)ccc2O ZINC000850557750 1250535679 /nfs/dbraw/zinc/53/56/79/1250535679.db2.gz SDWBYCLMQHGQTN-IVMMDQJWSA-N 1 0 334.435 2.923 20 10 EFCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(C)n1 ZINC000850565728 1250539722 /nfs/dbraw/zinc/53/97/22/1250539722.db2.gz HSXYXHHLSGGUOI-AWEZNQCLSA-N 1 0 340.471 2.905 20 10 EFCDRO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000850567932 1250540469 /nfs/dbraw/zinc/54/04/69/1250540469.db2.gz MHMLNCLZFGIYMB-IBGZPJMESA-N 1 0 340.471 2.622 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3COc4ccccc4C3)cc2)CC1 ZINC000850568192 1250540659 /nfs/dbraw/zinc/54/06/59/1250540659.db2.gz RGDOHSXPKVJQRR-SFHVURJKSA-N 1 0 338.451 2.741 20 10 EFCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H]2CCCO[C@H]21 ZINC000850568248 1250541124 /nfs/dbraw/zinc/54/11/24/1250541124.db2.gz SWPXFNUDIKXKLM-VAMGGRTRSA-N 1 0 344.499 2.941 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000851655427 1251178970 /nfs/dbraw/zinc/17/89/70/1251178970.db2.gz VDNWWOXUESZQQV-GOSISDBHSA-N 1 0 344.503 2.674 20 10 EFCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCN(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000851716157 1251217422 /nfs/dbraw/zinc/21/74/22/1251217422.db2.gz JHOKGHSMJSWTCC-KDURUIRLSA-N 1 0 345.531 2.933 20 10 EFCDRO COc1ccc(N2CCC[N@H+](CCCC(=O)NCC(C)C)CC2)cc1 ZINC000851733242 1251231602 /nfs/dbraw/zinc/23/16/02/1251231602.db2.gz ORTOGFBCAAPMAT-UHFFFAOYSA-N 1 0 347.503 2.760 20 10 EFCDRO C[C@](O)(C[NH2+]Cc1c(O)cccc1Br)C(F)(F)F ZINC000706881453 1251264580 /nfs/dbraw/zinc/26/45/80/1251264580.db2.gz SPFIMPIJAGQYPU-JTQLQIEISA-N 1 0 328.128 2.558 20 10 EFCDRO CCC[C@@H]1CCCC[N@@H+]1Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000185851655 1253111966 /nfs/dbraw/zinc/11/19/66/1253111966.db2.gz XFDRCIDQTXLJIR-CQSZACIVSA-N 1 0 346.431 2.766 20 10 EFCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000186030205 1254027659 /nfs/dbraw/zinc/02/76/59/1254027659.db2.gz DCYYLXXRQQTTIK-CHWSQXEVSA-N 1 0 325.474 2.745 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cc[nH]c3)CC2(C)C)cc1C ZINC000995854583 1254795159 /nfs/dbraw/zinc/79/51/59/1254795159.db2.gz KDTAUQDRDSVYPK-GOSISDBHSA-N 1 0 341.455 2.972 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3cnco3)CC2(C)C)cc1C ZINC000996110140 1255018409 /nfs/dbraw/zinc/01/84/09/1255018409.db2.gz SZBMDYPUTMALKT-KRWDZBQOSA-N 1 0 343.427 2.632 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(C)=O)C[C@H]2C(F)(F)F)cc1C ZINC000996812202 1256130394 /nfs/dbraw/zinc/13/03/94/1256130394.db2.gz NGJFDGZIMQOHJG-LSDHHAIUSA-N 1 0 344.377 2.750 20 10 EFCDRO COc1ccc(OC)c([C@H](O)C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921513524 1256832110 /nfs/dbraw/zinc/83/21/10/1256832110.db2.gz DNRLHJVADBTDRC-GOSISDBHSA-N 1 0 343.423 2.852 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)COc1ccc(F)cc1 ZINC000921588979 1257513290 /nfs/dbraw/zinc/51/32/90/1257513290.db2.gz WPBAYYSIHBXXNI-KRWDZBQOSA-N 1 0 331.387 2.680 20 10 EFCDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921594527 1257527536 /nfs/dbraw/zinc/52/75/36/1257527536.db2.gz YVVUJWKDBZWTFJ-UHFFFAOYSA-N 1 0 331.437 2.705 20 10 EFCDRO COC(C)(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C)cc2O)C1=O ZINC001272765007 1257677901 /nfs/dbraw/zinc/67/79/01/1257677901.db2.gz GGFQDUJCLOABNW-FQEVSTJZSA-N 1 0 346.471 2.693 20 10 EFCDRO CCCCN1C(=O)C[C@]2(CCC[N@H+](Cc3ccc(C)cc3O)C2)C1=O ZINC001272767141 1257726178 /nfs/dbraw/zinc/72/61/78/1257726178.db2.gz XIJRHNOSLFSKAO-FQEVSTJZSA-N 1 0 344.455 2.842 20 10 EFCDRO COc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)cc1C ZINC000997504413 1257799412 /nfs/dbraw/zinc/79/94/12/1257799412.db2.gz VRYAXFNVOWWCFN-RDTXWAMCSA-N 1 0 330.472 2.988 20 10 EFCDRO C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC[NH+](CCF)CC1 ZINC000997874360 1258561572 /nfs/dbraw/zinc/56/15/72/1258561572.db2.gz GDHUOWDEQPMAFM-LBPRGKRZSA-N 1 0 349.410 2.649 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(C)=O)CC[C@H]2C(F)(F)F)cc1C ZINC000998229351 1259271590 /nfs/dbraw/zinc/27/15/90/1259271590.db2.gz WYBVZSZUVCFGPY-HUUCEWRRSA-N 1 0 344.377 2.893 20 10 EFCDRO CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)C1=O ZINC001273306943 1266249199 /nfs/dbraw/zinc/24/91/99/1266249199.db2.gz OHDLKHOORBLIGQ-FQEVSTJZSA-N 1 0 327.472 2.874 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C3CCOCC3)C2)cc1C ZINC000998359577 1259459258 /nfs/dbraw/zinc/45/92/58/1259459258.db2.gz MJKYFKDGZTUNSK-SFHVURJKSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccccn3)C2)cc1C ZINC000998390520 1259485919 /nfs/dbraw/zinc/48/59/19/1259485919.db2.gz UGIMCCBAPZQPGU-QGZVFWFLSA-N 1 0 339.439 2.793 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3ccoc3)C2)cc1C ZINC000998451079 1259546950 /nfs/dbraw/zinc/54/69/50/1259546950.db2.gz RMTYLHFSTZQOID-UHFFFAOYSA-N 1 0 328.412 2.989 20 10 EFCDRO CCNC(=O)C(C)(C)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708075237 1259582166 /nfs/dbraw/zinc/58/21/66/1259582166.db2.gz GWZHGKFFHQMPDS-UHFFFAOYSA-N 1 0 349.656 2.812 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCOC3)C2)cc1C ZINC000998527533 1259633831 /nfs/dbraw/zinc/63/38/31/1259633831.db2.gz TTXVCKXXIYMSAU-WWDZGPRUSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1C ZINC000998542045 1259664834 /nfs/dbraw/zinc/66/48/34/1259664834.db2.gz VFWCVDAABMZXDM-QGZVFWFLSA-N 1 0 328.412 2.991 20 10 EFCDRO CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001036599966 1259746368 /nfs/dbraw/zinc/74/63/68/1259746368.db2.gz RTBHDXKUHDAONL-WFASDCNBSA-N 1 0 331.420 2.699 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000708507670 1259757971 /nfs/dbraw/zinc/75/79/71/1259757971.db2.gz VVUVTSJAHRCYOI-APWZRJJASA-N 1 0 337.467 2.696 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C[C@H]3CCOC3)C2)cc1C ZINC000998806800 1259946904 /nfs/dbraw/zinc/94/69/04/1259946904.db2.gz RZDCZIZYULZISD-MSOLQXFVSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3coc(C)n3)C2)cc1C ZINC000998998967 1260132308 /nfs/dbraw/zinc/13/23/08/1260132308.db2.gz JNBMJASTQOUEQT-INIZCTEOSA-N 1 0 343.427 2.694 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC2CC[NH+](C/C=C\Cl)CC2)cc1 ZINC001004244115 1266316558 /nfs/dbraw/zinc/31/65/58/1266316558.db2.gz YZDYXKFALFYMJR-PTLFCZQLSA-N 1 0 349.822 2.796 20 10 EFCDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001004243425 1266351917 /nfs/dbraw/zinc/35/19/17/1266351917.db2.gz ROUHQLPPMKWMRE-UHFFFAOYSA-N 1 0 331.420 2.699 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3cc(F)c[nH]3)C2)cc1C ZINC000999727222 1260850477 /nfs/dbraw/zinc/85/04/77/1260850477.db2.gz GPXCACNPIWGHKS-INIZCTEOSA-N 1 0 345.418 2.865 20 10 EFCDRO CC[C@@H](C)N1CCC2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)C1=O ZINC001272903024 1261294026 /nfs/dbraw/zinc/29/40/26/1261294026.db2.gz JUYLTEPLLWTEPD-CQSZACIVSA-N 1 0 332.444 2.711 20 10 EFCDRO CC[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001272902572 1261294225 /nfs/dbraw/zinc/29/42/25/1261294225.db2.gz FCLXAKMMISZPED-KUHUBIRLSA-N 1 0 332.444 2.853 20 10 EFCDRO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]Cc1cc(OC)ccc1O ZINC000921740512 1261321790 /nfs/dbraw/zinc/32/17/90/1261321790.db2.gz LOJGPXAPXVAFOQ-CYBMUJFWSA-N 1 0 345.395 2.631 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)cc1 ZINC001272916459 1261326305 /nfs/dbraw/zinc/32/63/05/1261326305.db2.gz IPKWWJQVUYFYBL-HZPDHXFCSA-N 1 0 337.414 2.583 20 10 EFCDRO CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(N(C)C)cc1 ZINC001272917548 1261329255 /nfs/dbraw/zinc/32/92/55/1261329255.db2.gz VPWMNUKVRYPTSQ-RTBURBONSA-N 1 0 329.488 2.974 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C3(C)CC3)CCCO2)cc1C ZINC001078404963 1261761785 /nfs/dbraw/zinc/76/17/85/1261761785.db2.gz AJKWNEPUBSSFPV-KRWDZBQOSA-N 1 0 346.471 2.511 20 10 EFCDRO CC(C)OCCN1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921809890 1261770986 /nfs/dbraw/zinc/77/09/86/1261770986.db2.gz KIQOWAZQCFNLPO-UHFFFAOYSA-N 1 0 332.488 2.991 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2conc2C(C)C)cc1C ZINC001129290837 1262059498 /nfs/dbraw/zinc/05/94/98/1262059498.db2.gz FZWMRNKLXBGFCB-UHFFFAOYSA-N 1 0 331.416 2.635 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC3(C)C)C[C@H]2C)cc1C ZINC001082479748 1263185459 /nfs/dbraw/zinc/18/54/59/1263185459.db2.gz OYOMUHDHNGWKBM-HYVNUMGLSA-N 1 0 330.472 2.986 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](OC)C(C)C)C[C@H]2C)cc1C ZINC001082720237 1263299058 /nfs/dbraw/zinc/29/90/58/1263299058.db2.gz MJVYTFTVAAJGRC-SZVBFZGTSA-N 1 0 348.487 2.611 20 10 EFCDRO CCOc1ccc(C[NH2+]C[C@H]2CCCN2CC(F)(F)F)c(O)c1 ZINC000922708923 1266631083 /nfs/dbraw/zinc/63/10/83/1266631083.db2.gz MVJRQJNRXYMMEV-CYBMUJFWSA-N 1 0 332.366 2.907 20 10 EFCDRO CC(C)(C)c1cccc(C[N@@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)c1O ZINC001143103565 1264215486 /nfs/dbraw/zinc/21/54/86/1264215486.db2.gz FPASSIKLKDPRRD-LRDDRELGSA-N 1 0 347.377 2.550 20 10 EFCDRO Cc1cc(O)c(C[N@@H+](C)C[C@H](O)COCCOC(C)C)cc1Cl ZINC000824618759 1278226488 /nfs/dbraw/zinc/22/64/88/1278226488.db2.gz ZUEQXVWFRZZHQQ-HNNXBMFYSA-N 1 0 345.867 2.588 20 10 EFCDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000730790573 1264443863 /nfs/dbraw/zinc/44/38/63/1264443863.db2.gz ZWVKCFLOBMWRKW-GOSISDBHSA-N 1 0 341.455 2.545 20 10 EFCDRO CC[C@H](C)n1nccc1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001128445210 1264700356 /nfs/dbraw/zinc/70/03/56/1264700356.db2.gz SOQHMNLMDZCAHD-HNNXBMFYSA-N 1 0 344.459 2.691 20 10 EFCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)c1 ZINC000733322184 1265168078 /nfs/dbraw/zinc/16/80/78/1265168078.db2.gz OPNOEAYBWBASNR-KRWDZBQOSA-N 1 0 345.512 2.840 20 10 EFCDRO COc1cccc(C(=O)NCC[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000733327073 1265169801 /nfs/dbraw/zinc/16/98/01/1265169801.db2.gz NLUCRGJLMVJKIX-UHFFFAOYSA-N 1 0 334.803 2.574 20 10 EFCDRO Cc1cc(C[NH2+][C@@H](C)CS(C)(=O)=O)c(C)n1-c1cccc(C)c1 ZINC000733328790 1265171059 /nfs/dbraw/zinc/17/10/59/1265171059.db2.gz CMRWIZXYGZXJQB-AWEZNQCLSA-N 1 0 334.485 2.925 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CC(=O)N2CCc3ccccc32)cc1F ZINC000733328244 1265171682 /nfs/dbraw/zinc/17/16/82/1265171682.db2.gz MSVTXKHNVPJYTF-UHFFFAOYSA-N 1 0 327.403 2.571 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](CO)c1ccccc1 ZINC000824696540 1278251501 /nfs/dbraw/zinc/25/15/01/1278251501.db2.gz OQHXEHKETRYHMK-FQEVSTJZSA-N 1 0 344.430 2.828 20 10 EFCDRO COc1ccc(C[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)cc1C ZINC000824738469 1278251736 /nfs/dbraw/zinc/25/17/36/1278251736.db2.gz NGTFKQCSKLHDGL-UHFFFAOYSA-N 1 0 348.468 2.544 20 10 EFCDRO CC(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3c([O-])cccc3F)C2)C1=O ZINC001273265286 1265207211 /nfs/dbraw/zinc/20/72/11/1265207211.db2.gz DSHMIQQYEPTAQC-LJQANCHMSA-N 1 0 348.418 2.528 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCO2)cc1C ZINC001085124364 1265233640 /nfs/dbraw/zinc/23/36/40/1265233640.db2.gz QNDGXAOIRMIWFB-ZHALLVOQSA-N 1 0 346.471 2.700 20 10 EFCDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000824709174 1278257721 /nfs/dbraw/zinc/25/77/21/1278257721.db2.gz OEQOQZCJIPZHRZ-SMDDNHRTSA-N 1 0 344.249 2.604 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)cc2)CC1 ZINC000824716490 1278259715 /nfs/dbraw/zinc/25/97/15/1278259715.db2.gz VRCVNCMNWMGPHV-HBMCJLEFSA-N 1 0 343.515 2.564 20 10 EFCDRO O[C@@H]1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000824714814 1278258447 /nfs/dbraw/zinc/25/84/47/1278258447.db2.gz HEQRUAJMRKBDTC-SLFFLAALSA-N 1 0 330.472 2.649 20 10 EFCDRO CCCOc1ccc(C[NH2+]CC2(O)CCC3(CC2)OCCO3)cc1C ZINC000922619435 1266474694 /nfs/dbraw/zinc/47/46/94/1266474694.db2.gz FQYWFYRETOVORC-UHFFFAOYSA-N 1 0 349.471 2.922 20 10 EFCDRO COc1ccc(C[NH2+]CCc2ccccc2S(C)(=O)=O)cc1C ZINC000922676786 1266580338 /nfs/dbraw/zinc/58/03/38/1266580338.db2.gz KBCUOFFWHOEDIJ-UHFFFAOYSA-N 1 0 333.453 2.739 20 10 EFCDRO Cc1cc(O)c(C[N@H+](CCO)CCOCC(F)(F)F)cc1Cl ZINC000824776712 1278277952 /nfs/dbraw/zinc/27/79/52/1278277952.db2.gz JKOQRAPZVOPGNB-UHFFFAOYSA-N 1 0 341.757 2.727 20 10 EFCDRO CC[C@@H](C)N1C[C@]2(CC[N@H+](Cc3c(C)ccc(C)c3O)C2)OCC1=O ZINC001273049058 1266785884 /nfs/dbraw/zinc/78/58/84/1266785884.db2.gz JRCKWHXNJHREBO-OXQOHEQNSA-N 1 0 346.471 2.611 20 10 EFCDRO CC[C@H](C)N1C[C@]2(CC[N@H+](Cc3c(C)ccc(C)c3O)C2)OCC1=O ZINC001273049057 1266786361 /nfs/dbraw/zinc/78/63/61/1266786361.db2.gz JRCKWHXNJHREBO-OXJNMPFZSA-N 1 0 346.471 2.611 20 10 EFCDRO CC(=O)[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2c(C)ccc(C)c2O)C1=O ZINC001273049164 1266788112 /nfs/dbraw/zinc/78/81/12/1266788112.db2.gz ONNVVPWLGAHYLO-MGPUTAFESA-N 1 0 344.455 2.553 20 10 EFCDRO CCOCCN1CC[C@@]2(CCC[N@@H+]2Cc2c(C)ccc(C)c2O)C1=O ZINC001273049669 1266830231 /nfs/dbraw/zinc/83/02/31/1266830231.db2.gz ZGRYTGSWHPZBKU-FQEVSTJZSA-N 1 0 346.471 2.612 20 10 EFCDRO COCCCN1CC[C@@]2(CCC[N@@H+]2Cc2c(C)ccc(C)c2O)C1=O ZINC001273049678 1266833273 /nfs/dbraw/zinc/83/32/73/1266833273.db2.gz ZSGYGPSCXSNCLV-FQEVSTJZSA-N 1 0 346.471 2.612 20 10 EFCDRO COc1ccc(O)c(CNC(=O)NCC2([NH+](C)C)CCCCCC2)c1 ZINC000734064385 1266846697 /nfs/dbraw/zinc/84/66/97/1266846697.db2.gz GQYNOHQSAMMYFG-UHFFFAOYSA-N 1 0 349.475 2.855 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000734274147 1266932899 /nfs/dbraw/zinc/93/28/99/1266932899.db2.gz NGBWTWXJWVMMCK-INIZCTEOSA-N 1 0 330.476 2.569 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000734276645 1266934033 /nfs/dbraw/zinc/93/40/33/1266934033.db2.gz GKAVQCMQPNUMAP-OAHLLOKOSA-N 1 0 348.466 2.708 20 10 EFCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000734285174 1266938139 /nfs/dbraw/zinc/93/81/39/1266938139.db2.gz HJRNFJWNQNFMQX-KRWDZBQOSA-N 1 0 344.503 2.911 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(NS(C)(=O)=O)cc1 ZINC000734509655 1266997169 /nfs/dbraw/zinc/99/71/69/1266997169.db2.gz NXWANKVEYQLYHO-UHFFFAOYSA-N 1 0 347.484 2.722 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000734653344 1267055350 /nfs/dbraw/zinc/05/53/50/1267055350.db2.gz DFXQTVWMJBHJGM-UHFFFAOYSA-N 1 0 332.492 2.735 20 10 EFCDRO CO[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1(C)C ZINC000824821166 1278304887 /nfs/dbraw/zinc/30/48/87/1278304887.db2.gz VSXMQVPPDAEPNK-SFHVURJKSA-N 1 0 336.451 2.909 20 10 EFCDRO OC[C@@H]([C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC1)C1CC1 ZINC000824844949 1278328802 /nfs/dbraw/zinc/32/88/02/1278328802.db2.gz FZKOAWCFRBPWBX-XLIONFOSSA-N 1 0 348.462 2.549 20 10 EFCDRO CC(C)OC(=O)[C@@H](C)N(C)Cc1ccc(Br)cc1O ZINC000824895021 1278330414 /nfs/dbraw/zinc/33/04/14/1278330414.db2.gz PDRNWAOTXGHWEI-SNVBAGLBSA-N 1 0 330.222 2.927 20 10 EFCDRO CC[C@@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[NH+](CC)CC ZINC000736007872 1267475463 /nfs/dbraw/zinc/47/54/63/1267475463.db2.gz XBVDOMCQQGDPKR-LPHOPBHVSA-N 1 0 347.503 2.821 20 10 EFCDRO COc1cc(C[NH+]2CCC(OCCO)CC2)c(O)c(C(C)(C)C)c1 ZINC000824905714 1278338010 /nfs/dbraw/zinc/33/80/10/1278338010.db2.gz AALXZEYBXVQWJR-UHFFFAOYSA-N 1 0 337.460 2.672 20 10 EFCDRO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC000824914525 1278342220 /nfs/dbraw/zinc/34/22/20/1278342220.db2.gz TXXUAJBLGQBYAF-MRXNPFEDSA-N 1 0 333.453 2.945 20 10 EFCDRO O=S1(=O)CC[C@@]2(C1)CCC[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000824976828 1278374150 /nfs/dbraw/zinc/37/41/50/1278374150.db2.gz GITFYHKIKFMQPP-IBGZPJMESA-N 1 0 345.464 2.946 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)cc1F ZINC000825045764 1278394421 /nfs/dbraw/zinc/39/44/21/1278394421.db2.gz KSZXBIJWYCMUPO-KBXCAEBGSA-N 1 0 332.423 2.635 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)c1 ZINC000825046474 1278397208 /nfs/dbraw/zinc/39/72/08/1278397208.db2.gz UPPRMXPCCDJVDX-JCGVRSQUSA-N 1 0 331.416 2.705 20 10 EFCDRO CN1CC[C@@H]([N@H+](C)Cc2c3c(ccc2O)oc2c3CCCC2)C1=O ZINC000738275397 1268423484 /nfs/dbraw/zinc/42/34/84/1268423484.db2.gz VQKPSQIGSVOYHD-CQSZACIVSA-N 1 0 328.412 2.680 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+](C)CC(=O)N(C)CC(F)(F)F)cc1 ZINC000738300444 1268441774 /nfs/dbraw/zinc/44/17/74/1268441774.db2.gz XGUGOTPMYTXGCX-UHFFFAOYSA-N 1 0 345.409 2.985 20 10 EFCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)C(=O)N1c2ccccc2C[C@@H]1C ZINC000825113043 1278414626 /nfs/dbraw/zinc/41/46/26/1278414626.db2.gz YUDQSECCHVLCMM-STQMWFEESA-N 1 0 328.387 2.987 20 10 EFCDRO CNC(=O)COc1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825127549 1278421961 /nfs/dbraw/zinc/42/19/61/1278421961.db2.gz YHOFGJDYAZAHFY-UHFFFAOYSA-N 1 0 348.830 2.769 20 10 EFCDRO CCOc1ccc(N(C)CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000739922281 1268795719 /nfs/dbraw/zinc/79/57/19/1268795719.db2.gz FKQFSOJIGOGFRK-UHFFFAOYSA-N 1 0 333.476 2.511 20 10 EFCDRO CCN(CCS(C)(=O)=O)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000164603983 1268796665 /nfs/dbraw/zinc/79/66/65/1268796665.db2.gz UEHAXBYYOSRHMG-UHFFFAOYSA-N 1 0 343.489 2.565 20 10 EFCDRO Cc1cc(C(=O)NC[C@H]2C[NH2+]CCCO2)c(C)n1-c1ccccc1C ZINC000825183043 1278442497 /nfs/dbraw/zinc/44/24/97/1278442497.db2.gz GOJPPIYCGLQOIQ-QGZVFWFLSA-N 1 0 341.455 2.511 20 10 EFCDRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1ccc(N2CC=CC2)cc1 ZINC000740631744 1268984016 /nfs/dbraw/zinc/98/40/16/1268984016.db2.gz PAXUSDQMBXMGQJ-SFHVURJKSA-N 1 0 344.528 2.511 20 10 EFCDRO Cc1cc(C)c(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000825221647 1278468925 /nfs/dbraw/zinc/46/89/25/1278468925.db2.gz VGUNDZDTBBKNFN-UHFFFAOYSA-N 1 0 329.419 2.964 20 10 EFCDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000741083742 1269305860 /nfs/dbraw/zinc/30/58/60/1269305860.db2.gz YJIOGIMFIPPJIK-MRXNPFEDSA-N 1 0 330.476 2.592 20 10 EFCDRO CN(C[C@@H]1CC[N@@H+]1CCC1CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994212 1269449216 /nfs/dbraw/zinc/44/92/16/1269449216.db2.gz GARTXVCMFMNCEH-INIZCTEOSA-N 1 0 343.431 2.795 20 10 EFCDRO Cc1cc(O)c(C[N@H+](CCN2CCOCC2)Cc2ccco2)cc1C ZINC000825305240 1278499004 /nfs/dbraw/zinc/49/90/04/1278499004.db2.gz FLDVLMFLIMWSIV-UHFFFAOYSA-N 1 0 344.455 2.936 20 10 EFCDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000741725407 1269667287 /nfs/dbraw/zinc/66/72/87/1269667287.db2.gz UXWAXKBYIMOOFX-CJNGLKHVSA-N 1 0 326.444 2.702 20 10 EFCDRO COCCC[N@H+](C)CCNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000741727149 1269678862 /nfs/dbraw/zinc/67/88/62/1269678862.db2.gz NDFXNQTWBUBRQK-UHFFFAOYSA-N 1 0 343.471 2.792 20 10 EFCDRO OC[C@@H](C[NH2+]Cc1ccc(Br)cc1O)Cc1ccco1 ZINC000825346700 1278511986 /nfs/dbraw/zinc/51/19/86/1278511986.db2.gz FDMLUCGRAKYYIO-LLVKDONJSA-N 1 0 340.217 2.689 20 10 EFCDRO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033700077 1269868260 /nfs/dbraw/zinc/86/82/60/1269868260.db2.gz ULDWWVWYNQXBMU-INIZCTEOSA-N 1 0 343.431 2.795 20 10 EFCDRO CC(C)=CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033699029 1269906146 /nfs/dbraw/zinc/90/61/46/1269906146.db2.gz IQPMHGUYFDFRLY-MRXNPFEDSA-N 1 0 343.431 2.962 20 10 EFCDRO CCCc1nc(C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001171085594 1278524881 /nfs/dbraw/zinc/52/48/81/1278524881.db2.gz CUNHYXVINKWREH-UHFFFAOYSA-N 1 0 345.443 2.854 20 10 EFCDRO COc1ccc(N2CCC[N@H+](CCC(=O)N3CCC[C@@H]3C)CC2)cc1 ZINC000743261769 1270494365 /nfs/dbraw/zinc/49/43/65/1270494365.db2.gz KFILIUYPDVZUIT-KRWDZBQOSA-N 1 0 345.487 2.608 20 10 EFCDRO COc1cc(C[N@H+](C)[C@H](C)C[S@@](C)=O)c(O)c(C(C)(C)C)c1 ZINC000825504889 1278574318 /nfs/dbraw/zinc/57/43/18/1278574318.db2.gz LMNYSLYEEOLLDP-VERVWZFWSA-N 1 0 327.490 2.897 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3c[nH]cc3C)C2)cc1C ZINC001086271112 1270779700 /nfs/dbraw/zinc/77/97/00/1270779700.db2.gz IOCRKUYUNAFJDP-CALCHBBNSA-N 1 0 341.455 2.938 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000702554797 1271479411 /nfs/dbraw/zinc/47/94/11/1271479411.db2.gz XOEUWAPKJRTLFE-UTKZUKDTSA-N 1 0 340.467 2.988 20 10 EFCDRO C[C@@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000702566657 1271493808 /nfs/dbraw/zinc/49/38/08/1271493808.db2.gz MTAIQLHCVXGHQO-FOIQADDNSA-N 1 0 344.430 2.819 20 10 EFCDRO C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC000745578840 1271521873 /nfs/dbraw/zinc/52/18/73/1271521873.db2.gz XFFSPBHTJNNBTK-DOTOQJQBSA-N 1 0 330.476 2.569 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000745857972 1271659767 /nfs/dbraw/zinc/65/97/67/1271659767.db2.gz MDMDKOOXQVPQSF-NVXWUHKLSA-N 1 0 332.492 2.767 20 10 EFCDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC[N@@H+]1C ZINC000745858698 1271659925 /nfs/dbraw/zinc/65/99/25/1271659925.db2.gz SWDHBODOTOVWIU-WBVHZDCISA-N 1 0 344.503 2.909 20 10 EFCDRO CCC[N@H+](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000746172811 1271851897 /nfs/dbraw/zinc/85/18/97/1271851897.db2.gz JEBHKRBBVHMLDE-IBGZPJMESA-N 1 0 347.503 2.602 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]C2CCC(C)(O)CC2)c1O ZINC000749297322 1272186409 /nfs/dbraw/zinc/18/64/09/1272186409.db2.gz YPWGXVCAFZXNDD-UHFFFAOYSA-N 1 0 344.249 2.947 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCC[N@H+](CCCF)C2)cc1 ZINC001034548916 1272266773 /nfs/dbraw/zinc/26/67/73/1272266773.db2.gz VOODRDYGDSAUGB-OAHLLOKOSA-N 1 0 349.410 2.793 20 10 EFCDRO C[C@H]([NH2+]C[C@@H]1CC2(CCC2)C(=O)O1)c1ccc(N2CCOCC2)cc1 ZINC000792275422 1278708048 /nfs/dbraw/zinc/70/80/48/1278708048.db2.gz AELVYRJKEFETQK-YJBOKZPZSA-N 1 0 344.455 2.660 20 10 EFCDRO CCOc1ccc(N2CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001169154213 1272715133 /nfs/dbraw/zinc/71/51/33/1272715133.db2.gz OHRZKLWXWLPUCL-REPLKXPHSA-N 1 0 329.488 2.833 20 10 EFCDRO CC(C)[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001034801568 1272997432 /nfs/dbraw/zinc/99/74/32/1272997432.db2.gz SZEQOMQATRMKMU-HDJSIYSDSA-N 1 0 331.420 2.888 20 10 EFCDRO COc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CCOC2)cc1C ZINC001169610688 1273051573 /nfs/dbraw/zinc/05/15/73/1273051573.db2.gz XPIPMNVBKMQDGG-SJLPKXTDSA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C(C)(F)F)cc1C ZINC001034838503 1273073605 /nfs/dbraw/zinc/07/36/05/1273073605.db2.gz MRLUMJUAEHDMNN-CQSZACIVSA-N 1 0 326.387 2.739 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCCO2)cc1C ZINC001034908213 1273192258 /nfs/dbraw/zinc/19/22/58/1273192258.db2.gz GNAVOCPARHEKDV-IEBWSBKVSA-N 1 0 346.471 2.653 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2ccsn2)cc1C ZINC001034970892 1273287396 /nfs/dbraw/zinc/28/73/96/1273287396.db2.gz FAVYCYFNMFZOMO-OAHLLOKOSA-N 1 0 345.468 2.855 20 10 EFCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000844167202 1278776942 /nfs/dbraw/zinc/77/69/42/1278776942.db2.gz VKQLSPKGBMMMIJ-INIZCTEOSA-N 1 0 339.430 2.736 20 10 EFCDRO Cc1ccc2oc(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)cc2n1 ZINC000844162457 1278791951 /nfs/dbraw/zinc/79/19/51/1278791951.db2.gz CZILWXATUJIDRG-OAHLLOKOSA-N 1 0 338.411 2.632 20 10 EFCDRO Cc1ccc2oc(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)cc2n1 ZINC000844162455 1278792070 /nfs/dbraw/zinc/79/20/70/1278792070.db2.gz CZILWXATUJIDRG-HNNXBMFYSA-N 1 0 338.411 2.632 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3cccnc3)C2)cc1C ZINC001090900685 1278793233 /nfs/dbraw/zinc/79/32/33/1278793233.db2.gz RPQAABPYVCDISX-UHFFFAOYSA-N 1 0 339.439 2.697 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C(C)(C)CC(F)F)cc1C ZINC001129168875 1274043446 /nfs/dbraw/zinc/04/34/46/1274043446.db2.gz LFJQPNGPFMYYRL-UHFFFAOYSA-N 1 0 328.403 2.891 20 10 EFCDRO Oc1ccc(CNc2ccc([C@@]34CC[NH2+][C@@H]3COCC4)cc2)cc1O ZINC001169993280 1274163814 /nfs/dbraw/zinc/16/38/14/1274163814.db2.gz QYOHAVYQTCHVAJ-UXHICEINSA-N 1 0 340.423 2.730 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccc[nH]3)C[C@@H]2C)cc1C ZINC001035918067 1274735224 /nfs/dbraw/zinc/73/52/24/1274735224.db2.gz FHPZNFSQDGSREM-DOTOQJQBSA-N 1 0 341.455 2.972 20 10 EFCDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1c(O)cccc1Br ZINC000706809410 1275030966 /nfs/dbraw/zinc/03/09/66/1275030966.db2.gz WGUVSZWSJRDCSN-JTQLQIEISA-N 1 0 329.238 2.549 20 10 EFCDRO Oc1cccc(Br)c1CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000706853902 1275053282 /nfs/dbraw/zinc/05/32/82/1275053282.db2.gz KUWNYGMTTCTJST-ZIAGYGMSSA-N 1 0 325.250 2.871 20 10 EFCDRO Oc1cccc(Br)c1CN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000706853901 1275053970 /nfs/dbraw/zinc/05/39/70/1275053970.db2.gz KUWNYGMTTCTJST-UONOGXRCSA-N 1 0 325.250 2.871 20 10 EFCDRO CC(C)[N@@H+]1CC[C@@H](CNCc2c(O)cccc2Br)C1 ZINC000706871960 1275064990 /nfs/dbraw/zinc/06/49/90/1275064990.db2.gz TVUCETKPPIPLJS-LBPRGKRZSA-N 1 0 327.266 2.975 20 10 EFCDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cccc(O)c1O)[NH+](C)C ZINC000785857079 1275217058 /nfs/dbraw/zinc/21/70/58/1275217058.db2.gz OCWXCHNEUPBWQL-DYVFJYSZSA-N 1 0 328.412 2.827 20 10 EFCDRO CCC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001036307677 1275429634 /nfs/dbraw/zinc/42/96/34/1275429634.db2.gz OZAMUGNBBRZZOP-WFASDCNBSA-N 1 0 331.420 2.699 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc3c(c2)nnn3C)cc1 ZINC000844400630 1278950723 /nfs/dbraw/zinc/95/07/23/1278950723.db2.gz DXDOPVWKVUZNJZ-UHFFFAOYSA-N 1 0 339.443 2.545 20 10 EFCDRO CCOC(CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)OCC ZINC000786831150 1275536280 /nfs/dbraw/zinc/53/62/80/1275536280.db2.gz JORTYJHXIOOOQL-UHFFFAOYSA-N 1 0 340.439 2.541 20 10 EFCDRO CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001036470388 1275713889 /nfs/dbraw/zinc/71/38/89/1275713889.db2.gz DMMBSYODWRFRGE-JSGCOSHPSA-N 1 0 331.420 2.699 20 10 EFCDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(O)cc2O)c([N+](=O)[O-])c1 ZINC001170306203 1278974742 /nfs/dbraw/zinc/97/47/42/1278974742.db2.gz RSCSQJCKOYTKIQ-LLVKDONJSA-N 1 0 332.356 2.735 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2[C@@H](C)CCCN2C(=O)C(F)F)cc1C ZINC001036479196 1275728946 /nfs/dbraw/zinc/72/89/46/1275728946.db2.gz IXFIJIHYHJCDMI-SWLSCSKDSA-N 1 0 340.414 2.985 20 10 EFCDRO COC(=O)[C@H]1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)[C@@H]1C ZINC000787239936 1275730977 /nfs/dbraw/zinc/73/09/77/1275730977.db2.gz PKLZTFCMPWSMQO-DOMZBBRYSA-N 1 0 329.396 2.937 20 10 EFCDRO CC(C)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001086562464 1276073771 /nfs/dbraw/zinc/07/37/71/1276073771.db2.gz SBYIICGBFFONPP-NNUKFRKNSA-N 1 0 331.420 2.603 20 10 EFCDRO COc1ccc(O)c(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000788297952 1276116965 /nfs/dbraw/zinc/11/69/65/1276116965.db2.gz FPXXXCHGCHZWNG-KRWDZBQOSA-N 1 0 328.412 2.710 20 10 EFCDRO O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000788310033 1276141479 /nfs/dbraw/zinc/14/14/79/1276141479.db2.gz YLRXXLPBKTXBFI-INIZCTEOSA-N 1 0 332.444 2.554 20 10 EFCDRO C[C@@H]([NH2+]CCC[C@H](C)O)c1ccc(N2CCOCC2)cc1Cl ZINC000788604282 1276237867 /nfs/dbraw/zinc/23/78/67/1276237867.db2.gz JOQAXKSEBKDLLH-UONOGXRCSA-N 1 0 326.868 2.988 20 10 EFCDRO [NH3+][C@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC000817888798 1276347579 /nfs/dbraw/zinc/34/75/79/1276347579.db2.gz OSCXYXLKCMMQGO-OALUTQOASA-N 1 0 341.430 2.897 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cnccc1N ZINC000817888402 1276347979 /nfs/dbraw/zinc/34/79/79/1276347979.db2.gz LDZNKRLGSUIFTP-AWEZNQCLSA-N 1 0 328.485 2.898 20 10 EFCDRO COC(=O)c1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)n(C)c1C ZINC000788841732 1276349737 /nfs/dbraw/zinc/34/97/37/1276349737.db2.gz XKUKWIFGIRJQQE-UHFFFAOYSA-N 1 0 329.444 2.818 20 10 EFCDRO C[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000817899344 1276366751 /nfs/dbraw/zinc/36/67/51/1276366751.db2.gz LGTFGNCGIQXQDH-KEYYUXOJSA-N 1 0 339.430 2.987 20 10 EFCDRO C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000817902163 1276366910 /nfs/dbraw/zinc/36/69/10/1276366910.db2.gz JPVQCPXGOIZVTL-IEBWSBKVSA-N 1 0 331.504 2.780 20 10 EFCDRO CC1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)cc2)CC1 ZINC000817902796 1276366934 /nfs/dbraw/zinc/36/69/34/1276366934.db2.gz YGGCKHFSJIXVML-LEWJYISDSA-N 1 0 343.515 2.780 20 10 EFCDRO C[C@@H](NCC1([NH3+])CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817936302 1276382147 /nfs/dbraw/zinc/38/21/47/1276382147.db2.gz NJUZTHHANNIZSM-OAHLLOKOSA-N 1 0 335.467 2.975 20 10 EFCDRO C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Br)cc(F)c1[O-] ZINC000817945427 1276390656 /nfs/dbraw/zinc/39/06/56/1276390656.db2.gz COFFUTZGYWUYRF-UWVGGRQHSA-N 1 0 331.229 2.944 20 10 EFCDRO C[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817946340 1276390780 /nfs/dbraw/zinc/39/07/80/1276390780.db2.gz WSXZGYCIOFWUBM-LSDHHAIUSA-N 1 0 337.895 2.827 20 10 EFCDRO C[C@@H]1C[C@H](Nc2ccc(N3CC[NH2+]CC3)cn2)c2c1c(F)ccc2O ZINC000817951825 1276396486 /nfs/dbraw/zinc/39/64/86/1276396486.db2.gz HMMTYKWVIAXQDO-DOMZBBRYSA-N 1 0 342.418 2.996 20 10 EFCDRO C[C@H]1C[C@H](Nc2ccc(N3CC[NH2+]CC3)cn2)c2c1c(F)ccc2O ZINC000817951835 1276396579 /nfs/dbraw/zinc/39/65/79/1276396579.db2.gz HMMTYKWVIAXQDO-WFASDCNBSA-N 1 0 342.418 2.996 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)c1 ZINC000817949486 1276396630 /nfs/dbraw/zinc/39/66/30/1276396630.db2.gz QNDODSPSVRATNG-CYBMUJFWSA-N 1 0 328.412 2.531 20 10 EFCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000817956287 1276396985 /nfs/dbraw/zinc/39/69/85/1276396985.db2.gz VTKAMZCIPTZVKQ-LAUBAEHRSA-N 1 0 339.483 2.690 20 10 EFCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000817956006 1276397069 /nfs/dbraw/zinc/39/70/69/1276397069.db2.gz NILBQSHSMXFGDU-CYBMUJFWSA-N 1 0 333.457 2.534 20 10 EFCDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCc2ccc(N)cc2)cc1 ZINC000817955656 1276397540 /nfs/dbraw/zinc/39/75/40/1276397540.db2.gz DSCDHJQZQPWOIH-CQSZACIVSA-N 1 0 347.484 2.924 20 10 EFCDRO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CCc1ccc(N)cc1 ZINC000817955699 1276397941 /nfs/dbraw/zinc/39/79/41/1276397941.db2.gz FQSKBRMOKXYEGH-NRFANRHFSA-N 1 0 339.483 2.783 20 10 EFCDRO CCC[NH2+]CCN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817961997 1276403664 /nfs/dbraw/zinc/40/36/64/1276403664.db2.gz GECCVTYZPXADFE-AWEZNQCLSA-N 1 0 325.884 2.827 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000817996547 1276406473 /nfs/dbraw/zinc/40/64/73/1276406473.db2.gz HTEBPSBQJHEBDY-XOBRGWDASA-N 1 0 340.423 2.509 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Br)cc(Cl)c1[O-] ZINC000817977658 1276417032 /nfs/dbraw/zinc/41/70/32/1276417032.db2.gz NKGJXCMTPDDUDF-XUJCCDQDSA-N 1 0 331.641 2.677 20 10 EFCDRO C[C@@H]([NH2+][C@H](CN)C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817983222 1276420699 /nfs/dbraw/zinc/42/06/99/1276420699.db2.gz ZRRHGWVHSIOOGV-RDTXWAMCSA-N 1 0 335.467 2.830 20 10 EFCDRO C[C@H]([NH2+]CCOC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000788981478 1276450268 /nfs/dbraw/zinc/45/02/68/1276450268.db2.gz QTCVJTWJWVDMFE-NSHDSACASA-N 1 0 336.329 2.849 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(OC)nc3)C2)cc1 ZINC000818219212 1276493667 /nfs/dbraw/zinc/49/36/67/1276493667.db2.gz AMFINNVFASBTJW-MRXNPFEDSA-N 1 0 327.428 2.715 20 10 EFCDRO Oc1ccc([C@@H](O)C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)cc1O ZINC001170892897 1276496780 /nfs/dbraw/zinc/49/67/80/1276496780.db2.gz JZIYXESDEXAQEC-ACJLOTCBSA-N 1 0 333.815 2.932 20 10 EFCDRO COC(=O)CC1CC([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000818330474 1276507160 /nfs/dbraw/zinc/50/71/60/1276507160.db2.gz QRPRPKHESFEDRM-HPUBIQBYSA-N 1 0 332.444 2.516 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)C(C)(C)n3cncn3)C2)cc1 ZINC000818341920 1276510286 /nfs/dbraw/zinc/51/02/86/1276510286.db2.gz JCDLXNMVLPTMJC-JKSUJKDBSA-N 1 0 343.475 2.526 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CCC(NC(C)=O)CC3)C2)cc1 ZINC000818342474 1276511855 /nfs/dbraw/zinc/51/18/55/1276511855.db2.gz RDUULVAOKCZIPH-WWDZGPRUSA-N 1 0 345.487 2.558 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cnccc3N)C2)cc1 ZINC000818614809 1276539139 /nfs/dbraw/zinc/53/91/39/1276539139.db2.gz GPSKRVHLWAYBGU-GJZGRUSLSA-N 1 0 326.444 2.680 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cnccc3N)C2)cc1 ZINC000818614808 1276539168 /nfs/dbraw/zinc/53/91/68/1276539168.db2.gz GPSKRVHLWAYBGU-CABCVRRESA-N 1 0 326.444 2.680 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]CCC(=O)Nc2cc(C)on2)cc1 ZINC000818965886 1276551869 /nfs/dbraw/zinc/55/18/69/1276551869.db2.gz XBXRNWDSRBZODE-UHFFFAOYSA-N 1 0 330.432 2.948 20 10 EFCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)S(C)(=O)=O ZINC000818980811 1276562870 /nfs/dbraw/zinc/56/28/70/1276562870.db2.gz OHISYJODVHDKQY-OAHLLOKOSA-N 1 0 338.517 2.978 20 10 EFCDRO Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000818985290 1276563442 /nfs/dbraw/zinc/56/34/42/1276563442.db2.gz QWSCHQBYDATXCW-LJQANCHMSA-N 1 0 340.467 2.907 20 10 EFCDRO CN1CCCc2cc(C[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000818985261 1276563805 /nfs/dbraw/zinc/56/38/05/1276563805.db2.gz QBCXYYMSNFTFII-LJQANCHMSA-N 1 0 341.411 2.800 20 10 EFCDRO CCc1cccc(OC[C@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000818997113 1276566925 /nfs/dbraw/zinc/56/69/25/1276566925.db2.gz SAEMEDPGQGMCGZ-GOSISDBHSA-N 1 0 327.424 2.713 20 10 EFCDRO CSc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000818997400 1276567037 /nfs/dbraw/zinc/56/70/37/1276567037.db2.gz ZSOYUIWBKCIOOX-INIZCTEOSA-N 1 0 345.464 2.873 20 10 EFCDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)cc1 ZINC000819094787 1276603649 /nfs/dbraw/zinc/60/36/49/1276603649.db2.gz MFIHJVXQIGHLPA-LJQANCHMSA-N 1 0 339.395 2.794 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)COc1ccccc1F ZINC000819095805 1276604004 /nfs/dbraw/zinc/60/40/04/1276604004.db2.gz VACZETGGGNRHCA-GOSISDBHSA-N 1 0 342.414 2.731 20 10 EFCDRO O[C@@H](C[NH2+]CCCSc1nccs1)COc1ccccc1F ZINC000819063631 1276612381 /nfs/dbraw/zinc/61/23/81/1276612381.db2.gz OLFPLJQHSQUZRL-LBPRGKRZSA-N 1 0 342.461 2.794 20 10 EFCDRO O=S(=O)(CC[NH2+]CCCSc1nccs1)c1ccccc1 ZINC000819063398 1276612417 /nfs/dbraw/zinc/61/24/17/1276612417.db2.gz MMTPLZRHPCJQJY-UHFFFAOYSA-N 1 0 342.511 2.689 20 10 EFCDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCSc2nccs2)cc1 ZINC000819062506 1276612750 /nfs/dbraw/zinc/61/27/50/1276612750.db2.gz FENNKRSKYVAJFM-CYBMUJFWSA-N 1 0 339.442 2.857 20 10 EFCDRO CSC[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819119703 1276639278 /nfs/dbraw/zinc/63/92/78/1276639278.db2.gz CIPCIUJNBNAPMX-OCCSQVGLSA-N 1 0 346.443 2.570 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)Cc3ccccc3)C2)cc1 ZINC000819379988 1276763804 /nfs/dbraw/zinc/76/38/04/1276763804.db2.gz LXNJGPSQFQWLGB-ICSRJNTNSA-N 1 0 340.467 2.715 20 10 EFCDRO C[N@@H+](Cc1ccccc1)C[C@H](O)CNc1ccccc1OCCF ZINC000819488175 1276791581 /nfs/dbraw/zinc/79/15/81/1276791581.db2.gz KSMNXWQIFMSBRM-QGZVFWFLSA-N 1 0 332.419 2.940 20 10 EFCDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819582456 1276824566 /nfs/dbraw/zinc/82/45/66/1276824566.db2.gz MBWONVLVSRHRSS-QFBILLFUSA-N 1 0 345.487 2.512 20 10 EFCDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819582458 1276825384 /nfs/dbraw/zinc/82/53/84/1276825384.db2.gz MBWONVLVSRHRSS-VQIMIIECSA-N 1 0 345.487 2.512 20 10 EFCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819587173 1276830198 /nfs/dbraw/zinc/83/01/98/1276830198.db2.gz XGARODUYFWZNGU-HZPDHXFCSA-N 1 0 347.503 2.804 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@H](CC(=O)[O-])CC(C)(C)C)cc2)CC1 ZINC000789903309 1277088726 /nfs/dbraw/zinc/08/87/26/1277088726.db2.gz HSOVQDBJYMKKGF-QGZVFWFLSA-N 1 0 347.503 2.808 20 10 EFCDRO Cc1cc(C[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)ccc1N(C)C ZINC000815048854 1287268166 /nfs/dbraw/zinc/26/81/66/1287268166.db2.gz RSTSUAQQOYCKJJ-OAHLLOKOSA-N 1 0 343.393 2.656 20 10 EFCDRO O=C1N(CC(F)F)CC[C@@]12CC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001273164417 1277157237 /nfs/dbraw/zinc/15/72/37/1277157237.db2.gz VNOIYQGDWBRWGJ-MRXNPFEDSA-N 1 0 344.789 2.735 20 10 EFCDRO CC(C)[C@@H](CNC(=O)c1c(F)ccc(O)c1O)[NH+]1CCC(C)CC1 ZINC000790069133 1277204695 /nfs/dbraw/zinc/20/46/95/1277204695.db2.gz KSNMJCVTCBGSJI-CQSZACIVSA-N 1 0 338.423 2.723 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CSCCS3)cc2)CC1 ZINC000585118664 1277353569 /nfs/dbraw/zinc/35/35/69/1277353569.db2.gz XVTOBOAFXXAHQK-QGZVFWFLSA-N 1 0 338.542 2.586 20 10 EFCDRO C[C@H]1OCC[C@]12C[N@H+](Cc1c(O)ccc3ccncc31)C[C@@H](C)O2 ZINC000790399760 1277539751 /nfs/dbraw/zinc/53/97/51/1277539751.db2.gz HOCYTHDRWHJVHF-LPMFXHHGSA-N 1 0 328.412 2.709 20 10 EFCDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000790483983 1277594163 /nfs/dbraw/zinc/59/41/63/1277594163.db2.gz BIUCKGUUHRTLLV-IBGZPJMESA-N 1 0 349.494 2.872 20 10 EFCDRO CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000790483985 1277594466 /nfs/dbraw/zinc/59/44/66/1277594466.db2.gz BIUCKGUUHRTLLV-LJQANCHMSA-N 1 0 349.494 2.872 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000790467803 1277608167 /nfs/dbraw/zinc/60/81/67/1277608167.db2.gz JJYMQGSNXLWXNO-QGZVFWFLSA-N 1 0 332.492 2.672 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000790702821 1277734055 /nfs/dbraw/zinc/73/40/55/1277734055.db2.gz OKYJYVQFZVYKPS-AWEZNQCLSA-N 1 0 349.475 2.883 20 10 EFCDRO C[NH+](C)CCCOc1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC000790906895 1277863139 /nfs/dbraw/zinc/86/31/39/1277863139.db2.gz HMGWFLMPHZVTOQ-UHFFFAOYSA-N 1 0 330.384 2.681 20 10 EFCDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844518067 1279069188 /nfs/dbraw/zinc/06/91/88/1279069188.db2.gz GPBZMVPIEWJZFV-GFCCVEGCSA-N 1 0 325.840 2.577 20 10 EFCDRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001170416107 1279097347 /nfs/dbraw/zinc/09/73/47/1279097347.db2.gz ALNKATPNNUWIKE-AWEZNQCLSA-N 1 0 343.379 2.620 20 10 EFCDRO COc1cc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC2CCCC2)cc(OC)n1 ZINC001134872239 1287327408 /nfs/dbraw/zinc/32/74/08/1287327408.db2.gz JHTOPIQNKHURDY-UONOGXRCSA-N 1 0 349.475 2.776 20 10 EFCDRO COc1cc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC2CCCC2)cc(OC)n1 ZINC001134872237 1287327610 /nfs/dbraw/zinc/32/76/10/1287327610.db2.gz JHTOPIQNKHURDY-KBPBESRZSA-N 1 0 349.475 2.776 20 10 EFCDRO CN(C)c1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c(C(F)(F)F)c1 ZINC000792826616 1279186956 /nfs/dbraw/zinc/18/69/56/1279186956.db2.gz HQYYOFJUNCRVCR-XJKSGUPXSA-N 1 0 327.394 2.955 20 10 EFCDRO COC(=O)C(C)(C)CC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000792842714 1279210745 /nfs/dbraw/zinc/21/07/45/1279210745.db2.gz KKVDYCYUFNNRTJ-UHFFFAOYSA-N 1 0 338.423 2.546 20 10 EFCDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792918688 1279275239 /nfs/dbraw/zinc/27/52/39/1279275239.db2.gz WRGVUOXFDCGIHR-ZDUSSCGKSA-N 1 0 345.409 2.582 20 10 EFCDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(OC)cc1O ZINC000792921263 1279276696 /nfs/dbraw/zinc/27/66/96/1279276696.db2.gz DSHQCSZTBPZXSZ-INIZCTEOSA-N 1 0 349.475 2.855 20 10 EFCDRO COC(=O)C(C)(C)CC[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000792930376 1279283266 /nfs/dbraw/zinc/28/32/66/1279283266.db2.gz LLQINDQRDIBWAP-UHFFFAOYSA-N 1 0 348.487 2.574 20 10 EFCDRO C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)[N@@H+]1CCC[C@H](C)C1 ZINC000844879930 1279312965 /nfs/dbraw/zinc/31/29/65/1279312965.db2.gz NPCIOVZGQHVNTM-STQMWFEESA-N 1 0 339.867 2.965 20 10 EFCDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792992993 1279319022 /nfs/dbraw/zinc/31/90/22/1279319022.db2.gz QYDGEEVPZNRYGV-IINYFYTJSA-N 1 0 336.423 2.973 20 10 EFCDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844880402 1279332754 /nfs/dbraw/zinc/33/27/54/1279332754.db2.gz RADVCWDLLMFQTG-GFCCVEGCSA-N 1 0 325.840 2.577 20 10 EFCDRO C[C@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@@H](C(N)=O)C1 ZINC000793091759 1279366643 /nfs/dbraw/zinc/36/66/43/1279366643.db2.gz FQVDXDZKRSIVMY-XHDPSFHLSA-N 1 0 343.393 2.857 20 10 EFCDRO CCOc1ccc(C[NH2+]Cc2cccc(N3CCOCC3)c2)c(O)c1 ZINC000815141785 1287343418 /nfs/dbraw/zinc/34/34/18/1287343418.db2.gz HIEXSUZSHMGAEW-UHFFFAOYSA-N 1 0 342.439 2.917 20 10 EFCDRO CN(CC[NH+]1CCCCC1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000845002703 1279379497 /nfs/dbraw/zinc/37/94/97/1279379497.db2.gz KXURPJUKVVVQQO-UHFFFAOYSA-N 1 0 342.487 2.690 20 10 EFCDRO C[NH+](C)[C@@H]1CCCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144300208 1279394297 /nfs/dbraw/zinc/39/42/97/1279394297.db2.gz XKHZFOZWIMKONJ-LLVKDONJSA-N 1 0 331.229 2.820 20 10 EFCDRO C[NH+](C)[C@H]1CCCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144300209 1279394631 /nfs/dbraw/zinc/39/46/31/1279394631.db2.gz XKHZFOZWIMKONJ-NSHDSACASA-N 1 0 331.229 2.820 20 10 EFCDRO COCC1(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000815147510 1287348396 /nfs/dbraw/zinc/34/83/96/1287348396.db2.gz BQSYOXANQLHARB-UHFFFAOYSA-N 1 0 336.451 2.959 20 10 EFCDRO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000815146186 1287348684 /nfs/dbraw/zinc/34/86/84/1287348684.db2.gz CGHJDVJGYLHVOU-LJQANCHMSA-N 1 0 336.451 2.693 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3ccns3)C2)cc1C ZINC001091054288 1279462400 /nfs/dbraw/zinc/46/24/00/1279462400.db2.gz UITULFAZRFUQBD-UHFFFAOYSA-N 1 0 345.468 2.758 20 10 EFCDRO Cc1ccc(O)c(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000793265394 1279486796 /nfs/dbraw/zinc/48/67/96/1279486796.db2.gz INVATHBHTRVFQN-HNNXBMFYSA-N 1 0 349.228 2.779 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]CCN2CC=CCC2)c1O ZINC000793318398 1279541250 /nfs/dbraw/zinc/54/12/50/1279541250.db2.gz HBNHMKKHKJNKBN-UHFFFAOYSA-N 1 0 341.249 2.515 20 10 EFCDRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2O)C1 ZINC000793388570 1279616880 /nfs/dbraw/zinc/61/68/80/1279616880.db2.gz PSJFSBFGKOJVLD-QWHCGFSZSA-N 1 0 343.370 2.858 20 10 EFCDRO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n(C)n1 ZINC000793524728 1279716987 /nfs/dbraw/zinc/71/69/87/1279716987.db2.gz HPKXVWWNEQWXAT-CVEARBPZSA-N 1 0 328.460 2.977 20 10 EFCDRO Cc1ccc(C2(O)CC[NH+](Cc3c(O)cc(O)cc3O)CC2)cc1 ZINC001144499561 1279740143 /nfs/dbraw/zinc/74/01/43/1279740143.db2.gz IQAKTNAFYPKQAK-UHFFFAOYSA-N 1 0 329.396 2.595 20 10 EFCDRO O=C(c1ccccc1)C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144500295 1279741614 /nfs/dbraw/zinc/74/16/14/1279741614.db2.gz QSGZHSRPYKPPET-UHFFFAOYSA-N 1 0 327.380 2.898 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)c(O)c1 ZINC001144500641 1279742310 /nfs/dbraw/zinc/74/23/10/1279742310.db2.gz XIXGLXNTGLWAKA-UHFFFAOYSA-N 1 0 349.814 2.940 20 10 EFCDRO Fc1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)ccc1N1CCOCC1 ZINC000793608972 1279755636 /nfs/dbraw/zinc/75/56/36/1279755636.db2.gz MFHQGICPIDBYRR-OALUTQOASA-N 1 0 334.435 2.806 20 10 EFCDRO C[C@@H](O)CN1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)[C@@H](C)C1 ZINC000793589817 1279759543 /nfs/dbraw/zinc/75/95/43/1279759543.db2.gz MMUOLGOWOGAOLX-DLBZAZTESA-N 1 0 340.467 2.946 20 10 EFCDRO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000793599665 1279765137 /nfs/dbraw/zinc/76/51/37/1279765137.db2.gz HXIWYTSKWIQYJK-NSHDSACASA-N 1 0 338.404 2.514 20 10 EFCDRO Oc1cc(O)c(C[NH+](Cc2cccnc2)Cc2cccnc2)c(O)c1 ZINC001144508930 1279769203 /nfs/dbraw/zinc/76/92/03/1279769203.db2.gz DPBLQKHFOYQHIN-UHFFFAOYSA-N 1 0 337.379 2.796 20 10 EFCDRO CC(C)[N@H+](CCNC(=O)OC(C)(C)C)Cc1c(O)cc(O)cc1O ZINC001144514511 1279774140 /nfs/dbraw/zinc/77/41/40/1279774140.db2.gz INSLBHQSQNEDGO-UHFFFAOYSA-N 1 0 340.420 2.539 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)c(O)c1 ZINC001144514469 1279774280 /nfs/dbraw/zinc/77/42/80/1279774280.db2.gz GNIXEQZKLGMCCL-UHFFFAOYSA-N 1 0 346.402 2.650 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC3(CC2)OCCc2ccccc23)c(O)c1 ZINC001144514631 1279774632 /nfs/dbraw/zinc/77/46/32/1279774632.db2.gz MNILMZINXALMAC-UHFFFAOYSA-N 1 0 341.407 2.867 20 10 EFCDRO Cc1ccc([C@@]2(C)C[N@H+](Cc3c(O)cc(O)cc3O)CCO2)cc1 ZINC001144514768 1279774881 /nfs/dbraw/zinc/77/48/81/1279774881.db2.gz RJEIMLIVQDDYPP-LJQANCHMSA-N 1 0 329.396 2.859 20 10 EFCDRO Cc1cccc(O[C@H]2CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)n1 ZINC001144515812 1279777561 /nfs/dbraw/zinc/77/75/61/1279777561.db2.gz GDKWTPOFBQGQPB-AWEZNQCLSA-N 1 0 330.384 2.550 20 10 EFCDRO CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144515849 1279777829 /nfs/dbraw/zinc/77/78/29/1279777829.db2.gz GYEUYHQTFCQRTQ-CQSZACIVSA-N 1 0 349.427 2.749 20 10 EFCDRO CCOc1cccc(N2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)c1 ZINC001144515465 1279778151 /nfs/dbraw/zinc/77/81/51/1279778151.db2.gz PMKFCKPRTMPAGE-UHFFFAOYSA-N 1 0 344.411 2.524 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CC3(CC(OCc4ccccc4)C3)C2)c(O)c1 ZINC001144515443 1279778163 /nfs/dbraw/zinc/77/81/63/1279778163.db2.gz OTXLBDPPDRVVHS-UHFFFAOYSA-N 1 0 341.407 2.985 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c(O)c1 ZINC001144516395 1279779698 /nfs/dbraw/zinc/77/96/98/1279779698.db2.gz XPZMNUGPBVGVSQ-CRAIPNDOSA-N 1 0 340.423 2.510 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc(OC)c(O)c2)cc1 ZINC000846051334 1280001368 /nfs/dbraw/zinc/00/13/68/1280001368.db2.gz CNLOMMDCYVWKLI-UHFFFAOYSA-N 1 0 330.428 2.978 20 10 EFCDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000846052684 1280004267 /nfs/dbraw/zinc/00/42/67/1280004267.db2.gz HURBENGOJQJZGF-QZTJIDSGSA-N 1 0 346.496 2.966 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)cc1F ZINC000846075348 1280006439 /nfs/dbraw/zinc/00/64/39/1280006439.db2.gz OERPJVRRSHRNOZ-HNNXBMFYSA-N 1 0 333.451 2.772 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2=O)c1O ZINC000846148511 1280037199 /nfs/dbraw/zinc/03/71/99/1280037199.db2.gz FUCJOIDZZOAKNN-BBRMVZONSA-N 1 0 326.396 2.857 20 10 EFCDRO COC(=O)COc1cccc(C[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846152058 1280038583 /nfs/dbraw/zinc/03/85/83/1280038583.db2.gz MLSZIWDOMSSLEJ-CYBMUJFWSA-N 1 0 345.395 2.803 20 10 EFCDRO C[C@@H](NC(=O)NCc1ccc(C[NH3+])cc1F)c1ccc(N(C)C)cc1 ZINC000846160265 1280043580 /nfs/dbraw/zinc/04/35/80/1280043580.db2.gz NOFYRLLXDXHONN-CYBMUJFWSA-N 1 0 344.434 2.911 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1O ZINC000846163201 1280044563 /nfs/dbraw/zinc/04/45/63/1280044563.db2.gz GIFQYJBPLDFWCG-SNVBAGLBSA-N 1 0 341.454 2.717 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCc2ccccc2)c1O ZINC000846169786 1280046851 /nfs/dbraw/zinc/04/68/51/1280046851.db2.gz UDBZNOSNRSVLEK-CABCVRRESA-N 1 0 342.439 2.799 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)c1O ZINC000846172621 1280047262 /nfs/dbraw/zinc/04/72/62/1280047262.db2.gz ZOARRDNIDVBJEQ-QWHCGFSZSA-N 1 0 344.386 2.996 20 10 EFCDRO CNC(=O)c1cccc(CC[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846142499 1280050775 /nfs/dbraw/zinc/05/07/75/1280050775.db2.gz AOCPKKINRUVQDK-CYBMUJFWSA-N 1 0 328.412 2.654 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1O ZINC000846141148 1280050943 /nfs/dbraw/zinc/05/09/43/1280050943.db2.gz LAOOGARESGNMHA-VXGBXAGGSA-N 1 0 332.366 2.936 20 10 EFCDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846144774 1280052164 /nfs/dbraw/zinc/05/21/64/1280052164.db2.gz LXXURYXVAGIDLO-YVEFUNNKSA-N 1 0 347.411 2.802 20 10 EFCDRO C[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc(Br)cc1O ZINC000846215209 1280071268 /nfs/dbraw/zinc/07/12/68/1280071268.db2.gz ZDBNQOPRQHULJE-XHDPSFHLSA-N 1 0 344.249 2.737 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)CCc2ccsc2)cc1C ZINC001129468886 1280206322 /nfs/dbraw/zinc/20/63/22/1280206322.db2.gz VPWHANYJAZJYIT-UHFFFAOYSA-N 1 0 332.469 2.904 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(OC)c(F)c2)cc1C ZINC001129918159 1280374065 /nfs/dbraw/zinc/37/40/65/1280374065.db2.gz YGEQLUCFOKJHGD-UHFFFAOYSA-N 1 0 346.402 2.671 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2c(C)noc2C(C)C)cc1C ZINC001129923135 1280376132 /nfs/dbraw/zinc/37/61/32/1280376132.db2.gz NQXQWDQJKOTLFV-UHFFFAOYSA-N 1 0 345.443 2.943 20 10 EFCDRO Cc1[nH]c2ccccc2c1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000846662942 1280380089 /nfs/dbraw/zinc/38/00/89/1280380089.db2.gz BRTBXEBKIKOSKJ-QGZVFWFLSA-N 1 0 336.439 2.972 20 10 EFCDRO COc1c(C)cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1C ZINC000846664149 1280380221 /nfs/dbraw/zinc/38/02/21/1280380221.db2.gz VRRRORUHPDLKEB-GOSISDBHSA-N 1 0 341.455 2.808 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cn(C)c3ccccc23)cc1 ZINC000846663900 1280381052 /nfs/dbraw/zinc/38/10/52/1280381052.db2.gz RCGUQCDQQFFOMR-SFHVURJKSA-N 1 0 336.439 2.674 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cn2ccc3ccccc32)cc1 ZINC000846663924 1280381082 /nfs/dbraw/zinc/38/10/82/1280381082.db2.gz RWONYOJDDUJFCU-GOSISDBHSA-N 1 0 336.439 2.524 20 10 EFCDRO CC[N@H+](CCCC(=O)NC)Cc1cc(Br)ccc1O ZINC000846806647 1280538458 /nfs/dbraw/zinc/53/84/58/1280538458.db2.gz ITYHETYGCIPZIX-UHFFFAOYSA-N 1 0 329.238 2.503 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CN(c3ccccc3)CCO2)c1 ZINC000846845163 1280572562 /nfs/dbraw/zinc/57/25/62/1280572562.db2.gz UHFCXLOZKOXDAL-QAPCUYQASA-N 1 0 342.439 2.957 20 10 EFCDRO COCCC[C@@H](C)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001170500959 1281001574 /nfs/dbraw/zinc/00/15/74/1281001574.db2.gz RZLQTLSJFVEUBG-OAHLLOKOSA-N 1 0 336.476 2.662 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000806820897 1281159892 /nfs/dbraw/zinc/15/98/92/1281159892.db2.gz HVNLBQWHIFENQU-DFNIBXOVSA-N 1 0 344.503 2.828 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cccnc2C2CC2)cc1C ZINC001130831085 1281213245 /nfs/dbraw/zinc/21/32/45/1281213245.db2.gz UMNUSWKICCROCS-UHFFFAOYSA-N 1 0 339.439 2.796 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000103603687 1281260518 /nfs/dbraw/zinc/26/05/18/1281260518.db2.gz NPKNVHLPCXBFPQ-KKUMJFAQSA-N 1 0 349.475 2.881 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccon3)C2)cc1C ZINC001086651846 1281310583 /nfs/dbraw/zinc/31/05/83/1281310583.db2.gz RKYYDYCPOAXBPK-JKSUJKDBSA-N 1 0 343.427 2.680 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000103608292 1281363610 /nfs/dbraw/zinc/36/36/10/1281363610.db2.gz NOAYOIKFNMLNLJ-GJZGRUSLSA-N 1 0 349.475 2.883 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000103609808 1281373986 /nfs/dbraw/zinc/37/39/86/1281373986.db2.gz ACXCRJTWKZUQEY-KFWWJZLASA-N 1 0 349.475 2.881 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@]23CCO[C@H]2CCCC3)cc1C ZINC001131212253 1281613230 /nfs/dbraw/zinc/61/32/30/1281613230.db2.gz NONGPWPSWPOWBV-AZUAARDMSA-N 1 0 346.471 2.559 20 10 EFCDRO CN(C)c1ccccc1C[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000808235657 1281616494 /nfs/dbraw/zinc/61/64/94/1281616494.db2.gz BAAHTRDZZGHLFI-GOSISDBHSA-N 1 0 328.412 2.516 20 10 EFCDRO Oc1ccc([C@@H](O)C[NH2+][C@H]2CCc3c(F)cc(F)cc3C2)cc1O ZINC001171334502 1281644672 /nfs/dbraw/zinc/64/46/72/1281644672.db2.gz SQAVVBUBMANYNU-UGSOOPFHSA-N 1 0 335.350 2.557 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)CCCc2ccccn2)cc1C ZINC001148612404 1281654240 /nfs/dbraw/zinc/65/42/40/1281654240.db2.gz HADUEJDSYPXIRR-UHFFFAOYSA-N 1 0 341.455 2.627 20 10 EFCDRO Cn1cnc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000808391651 1281699936 /nfs/dbraw/zinc/69/99/36/1281699936.db2.gz PIAZFLVDBHSXRE-ZDUSSCGKSA-N 1 0 336.386 2.780 20 10 EFCDRO CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)c(O)c1 ZINC000808448204 1281714880 /nfs/dbraw/zinc/71/48/80/1281714880.db2.gz ZLENQGJKIUOKGB-CGTJXYLNSA-N 1 0 332.444 2.528 20 10 EFCDRO CCCCN(C)C[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000808454296 1281718143 /nfs/dbraw/zinc/71/81/43/1281718143.db2.gz HXCCDYMXQJWMJN-INIZCTEOSA-N 1 0 337.483 2.872 20 10 EFCDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808706720 1281868209 /nfs/dbraw/zinc/86/82/09/1281868209.db2.gz RWDRXZITOZLNEI-AAEUAGOBSA-N 1 0 325.840 2.808 20 10 EFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)c1O ZINC000808708423 1281868334 /nfs/dbraw/zinc/86/83/34/1281868334.db2.gz MBLUUFARURMHBN-LLVKDONJSA-N 1 0 331.865 2.829 20 10 EFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(OCCO)CCOCC2)c1O ZINC000808718468 1281871833 /nfs/dbraw/zinc/87/18/33/1281871833.db2.gz UPSUNPJINXCPJM-ZDUSSCGKSA-N 1 0 343.851 2.563 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H]2CCC(C)(C)CO2)cc1C ZINC001131504300 1281967951 /nfs/dbraw/zinc/96/79/51/1281967951.db2.gz SQAINHVSOBWHDD-QGZVFWFLSA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H]2CC[C@@H](C3CC3)O2)cc1C ZINC001131590316 1282059860 /nfs/dbraw/zinc/05/98/60/1282059860.db2.gz YANNTXXLQSHADG-HKUYNNGSSA-N 1 0 346.471 2.557 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc(C)c(C)cn2)cc1C ZINC001131606312 1282079446 /nfs/dbraw/zinc/07/94/46/1282079446.db2.gz MCYIHNXNQORRAX-UHFFFAOYSA-N 1 0 327.428 2.535 20 10 EFCDRO CCOc1ccc(N2CC[NH+]([C@H]3CC[C@@H](C(=O)OC)C3)CC2)cc1 ZINC001170575066 1282131564 /nfs/dbraw/zinc/13/15/64/1282131564.db2.gz WSCGXHSYMMOIOB-WBVHZDCISA-N 1 0 332.444 2.549 20 10 EFCDRO c1csc(SCCC[NH2+]Cc2cnc(C3OCCO3)s2)n1 ZINC000809623577 1282341532 /nfs/dbraw/zinc/34/15/32/1282341532.db2.gz XZPSKJMTEFTMGX-UHFFFAOYSA-N 1 0 343.499 2.917 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H](c3nncn3C)C(C)C)CC2)cc1 ZINC000809691613 1282375538 /nfs/dbraw/zinc/37/55/38/1282375538.db2.gz KQSNXXUUXDICQV-GOSISDBHSA-N 1 0 343.475 2.779 20 10 EFCDRO CC[N@@H+]1CCN(Cc2cc(Br)cc(C)c2O)[C@H](C)C1 ZINC000809697155 1282380357 /nfs/dbraw/zinc/38/03/57/1282380357.db2.gz CMFXZNZKZSZOJS-GFCCVEGCSA-N 1 0 327.266 2.989 20 10 EFCDRO [NH3+]CCN(C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000809727923 1282408553 /nfs/dbraw/zinc/40/85/53/1282408553.db2.gz CTXWSVJBADDRQN-FNORWQNLSA-N 1 0 342.355 2.982 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@H](C)[C@H](O)c2ccc(C)cc2)cc1OC ZINC000809701869 1282414698 /nfs/dbraw/zinc/41/46/98/1282414698.db2.gz NCAFJRCOEAWTKX-YJYMSZOUSA-N 1 0 331.412 2.930 20 10 EFCDRO COc1cc(Br)cc(CN(C)CC[NH+]2CCCC2)c1O ZINC000809737582 1282435207 /nfs/dbraw/zinc/43/52/07/1282435207.db2.gz ILWFEORKLHQZMZ-UHFFFAOYSA-N 1 0 343.265 2.691 20 10 EFCDRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000809739643 1282437248 /nfs/dbraw/zinc/43/72/48/1282437248.db2.gz AKPYNAOXDFPHPD-CHWSQXEVSA-N 1 0 343.370 2.858 20 10 EFCDRO COc1cccc(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)c1O ZINC000809740453 1282440077 /nfs/dbraw/zinc/44/00/77/1282440077.db2.gz ZCECGDKXLBDJTD-UHFFFAOYSA-N 1 0 334.460 2.918 20 10 EFCDRO CCOc1ccc(CN(CC[NH+](C)C)Cc2ccccn2)c(O)c1 ZINC000809741377 1282441100 /nfs/dbraw/zinc/44/11/00/1282441100.db2.gz SPYSBHGTQLIMOA-UHFFFAOYSA-N 1 0 329.444 2.750 20 10 EFCDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809757468 1282458548 /nfs/dbraw/zinc/45/85/48/1282458548.db2.gz NEXOAXXVBYSNAY-LJQANCHMSA-N 1 0 336.451 2.789 20 10 EFCDRO CNC(=O)COc1cccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000815561437 1287596819 /nfs/dbraw/zinc/59/68/19/1287596819.db2.gz HJBUIXXFURJFBY-OAHLLOKOSA-N 1 0 342.439 2.985 20 10 EFCDRO CCCC[C@H](C)[N@H+](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000810124446 1282905822 /nfs/dbraw/zinc/90/58/22/1282905822.db2.gz GFWRUILKQSIOEP-KRWDZBQOSA-N 1 0 347.503 2.854 20 10 EFCDRO CC[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810234241 1283066343 /nfs/dbraw/zinc/06/63/43/1283066343.db2.gz AQLNBIQBDMDNQG-CYBMUJFWSA-N 1 0 330.350 2.978 20 10 EFCDRO CC[C@@H]([NH2+]CCNC(=O)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810208576 1283071730 /nfs/dbraw/zinc/07/17/30/1283071730.db2.gz WNGGZVPNILKVGX-CYBMUJFWSA-N 1 0 330.350 2.978 20 10 EFCDRO C[C@@H]1C[N@H+](CCCF)C[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001093240960 1283486402 /nfs/dbraw/zinc/48/64/02/1283486402.db2.gz PYWZQLWEOMIWSE-TZMCWYRMSA-N 1 0 349.410 2.506 20 10 EFCDRO CC(C)C[N@H+]1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC001093240705 1283487114 /nfs/dbraw/zinc/48/71/14/1283487114.db2.gz CFTCQKQUFGXUAM-UKRRQHHQSA-N 1 0 345.447 2.803 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2c[nH]nc2C)cc1C ZINC001135144333 1287661580 /nfs/dbraw/zinc/66/15/80/1287661580.db2.gz XTLCRMMYBAXKEJ-UONOGXRCSA-N 1 0 344.459 2.722 20 10 EFCDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)c1cc(Br)ccc1O ZINC000036794314 1283734520 /nfs/dbraw/zinc/73/45/20/1283734520.db2.gz AHKAGAAMLOZJEJ-BXKDBHETSA-N 1 0 329.238 2.672 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc[nH]c2C2CC2)cc1C ZINC001132971536 1284529524 /nfs/dbraw/zinc/52/95/24/1284529524.db2.gz FGPFQDKDKBGSBS-UHFFFAOYSA-N 1 0 327.428 2.729 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)Cc2cc(F)ccc2F)cc1C ZINC001133048178 1284716353 /nfs/dbraw/zinc/71/63/53/1284716353.db2.gz MIPGGMCFOOSNQJ-UHFFFAOYSA-N 1 0 348.393 2.730 20 10 EFCDRO CCn1cccc1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001176202421 1287743554 /nfs/dbraw/zinc/74/35/54/1287743554.db2.gz YZQPKPZYHXNACE-UHFFFAOYSA-N 1 0 329.444 2.735 20 10 EFCDRO COCC[C@H]1COCC[N@@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000812299955 1285064039 /nfs/dbraw/zinc/06/40/39/1285064039.db2.gz ROXKNNTUQGUJND-HNNXBMFYSA-N 1 0 331.412 2.791 20 10 EFCDRO Oc1ccc([C@@H](O)C[NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)cc1O ZINC001171447288 1285214953 /nfs/dbraw/zinc/21/49/53/1285214953.db2.gz ZUNHESTUXMNZND-ACJLOTCBSA-N 1 0 335.350 2.557 20 10 EFCDRO COC(=O)c1cc(C[NH2+]CCCSc2nccs2)n(C)c1C ZINC000812755891 1285403380 /nfs/dbraw/zinc/40/33/80/1285403380.db2.gz KBMLMTPVGCBKKM-UHFFFAOYSA-N 1 0 339.486 2.849 20 10 EFCDRO CN(Cc1cn(C)nc1C(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000812757225 1285403702 /nfs/dbraw/zinc/40/37/02/1285403702.db2.gz XQWUYYDUHVWCEV-UHFFFAOYSA-N 1 0 338.402 2.935 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000812782447 1285415127 /nfs/dbraw/zinc/41/51/27/1285415127.db2.gz UDJKZMONGHLOAS-OAHLLOKOSA-N 1 0 327.403 2.787 20 10 EFCDRO Cc1cc(O)c(CN2C[C@@H]([NH3+])CC(F)(F)C2)cc1Br ZINC001206144995 1285697545 /nfs/dbraw/zinc/69/75/45/1285697545.db2.gz BSVRWYNTSNZJDE-JTQLQIEISA-N 1 0 335.192 2.631 20 10 EFCDRO CCCC[NH2+]CCCC[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001171676588 1285709096 /nfs/dbraw/zinc/70/90/96/1285709096.db2.gz JILRZNXKALDSGA-AWEZNQCLSA-N 1 0 337.464 2.777 20 10 EFCDRO COc1cc(C(=O)N[C@@H](C)CCCC[NH2+]CC2CCC2)cc(OC)n1 ZINC001171676294 1285709170 /nfs/dbraw/zinc/70/91/70/1285709170.db2.gz AFGANTYFJDCLJZ-AWEZNQCLSA-N 1 0 349.475 2.777 20 10 EFCDRO COc1cc(C(=O)N[C@@H](C)CCCC[NH2+]CC(C)C)cc(OC)n1 ZINC001171677066 1285710337 /nfs/dbraw/zinc/71/03/37/1285710337.db2.gz UHSDQJLGDJBHEW-AWEZNQCLSA-N 1 0 337.464 2.633 20 10 EFCDRO COc1cc(C(=O)N[C@H](C)CCCC[NH2+]CC=C(C)C)cc(OC)n1 ZINC001171676701 1285710389 /nfs/dbraw/zinc/71/03/89/1285710389.db2.gz NTMMBSXTQGLIKQ-OAHLLOKOSA-N 1 0 349.475 2.943 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(C3OCCO3)s2)c1 ZINC000813330762 1285814049 /nfs/dbraw/zinc/81/40/49/1285814049.db2.gz GVUXKJCZVBDMHD-JTQLQIEISA-N 1 0 336.413 2.754 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2cnsn2)cc1C ZINC001133785307 1285935051 /nfs/dbraw/zinc/93/50/51/1285935051.db2.gz MSEZWIDIEVHANI-OLZOCXBDSA-N 1 0 348.472 2.542 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2cnns2)cc1C ZINC001133804790 1285956733 /nfs/dbraw/zinc/95/67/33/1285956733.db2.gz YYCYLYAGLRBPPN-CHWSQXEVSA-N 1 0 348.472 2.542 20 10 EFCDRO CCN1CC[C@@H]([N@@H+]2CCc3c(c4cc(OC)ccc4n3C)C2)CC1=O ZINC001172043145 1285986075 /nfs/dbraw/zinc/98/60/75/1285986075.db2.gz MQHVEOXSGILTQL-CQSZACIVSA-N 1 0 341.455 2.556 20 10 EFCDRO O=C(c1cccc(O)c1O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000813635996 1286032960 /nfs/dbraw/zinc/03/29/60/1286032960.db2.gz BJELEMVPBZKBDM-UHFFFAOYSA-N 1 0 332.444 2.969 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172190833 1286037117 /nfs/dbraw/zinc/03/71/17/1286037117.db2.gz SHHDEKSWICCHTL-RTBURBONSA-N 1 0 327.472 2.872 20 10 EFCDRO C[C@H](NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)c1ccc(N(C)C)cc1 ZINC000813720985 1286073412 /nfs/dbraw/zinc/07/34/12/1286073412.db2.gz ZNIQYMXKKDOVDE-KXBFYZLASA-N 1 0 330.476 2.551 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)COC(C)C)cc1C ZINC001133896348 1286076480 /nfs/dbraw/zinc/07/64/80/1286076480.db2.gz IQJCGHJNQXVUSL-CVEARBPZSA-N 1 0 336.476 2.802 20 10 EFCDRO C[C@@H](CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000813787522 1286116752 /nfs/dbraw/zinc/11/67/52/1286116752.db2.gz ZMNXZURRXVMJCN-HNNXBMFYSA-N 1 0 334.464 2.872 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(=O)C(C)(C)C)cc1C ZINC001133932784 1286137268 /nfs/dbraw/zinc/13/72/68/1286137268.db2.gz PLYHYBIEROTTGS-HUUCEWRRSA-N 1 0 348.487 2.992 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2cocn2)cc1C ZINC001133945818 1286154315 /nfs/dbraw/zinc/15/43/15/1286154315.db2.gz NFHCJKQLYALHDZ-KGLIPLIRSA-N 1 0 331.416 2.678 20 10 EFCDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000814171566 1286353614 /nfs/dbraw/zinc/35/36/14/1286353614.db2.gz OTAIOHBVUALSFS-HXUWFJFHSA-N 1 0 341.407 2.718 20 10 EFCDRO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000814172357 1286356412 /nfs/dbraw/zinc/35/64/12/1286356412.db2.gz JXLRMERLDJNZMH-KBPBESRZSA-N 1 0 342.386 2.968 20 10 EFCDRO COCCOc1ccc(N2CC[NH+]([C@@H]3CCC[C@@H](OC)C3)CC2)cc1 ZINC001172952706 1286369401 /nfs/dbraw/zinc/36/94/01/1286369401.db2.gz XNRWVFQXIWCHGY-UYAOXDASSA-N 1 0 348.487 2.791 20 10 EFCDRO c1nc2c(s1)C[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001173119900 1286416295 /nfs/dbraw/zinc/41/62/95/1286416295.db2.gz AYVUYTPZPUTCFP-OAHLLOKOSA-N 1 0 329.469 2.627 20 10 EFCDRO Cc1cc(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)c(O)cc1Br ZINC001206209977 1286738681 /nfs/dbraw/zinc/73/86/81/1286738681.db2.gz JEGXLWWLNNIJKV-QWHCGFSZSA-N 1 0 331.229 2.724 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](F)c2ccccc2)cc1C ZINC001134440525 1286743983 /nfs/dbraw/zinc/74/39/83/1286743983.db2.gz QJIONCAEWUIAOK-SFHVURJKSA-N 1 0 330.403 2.920 20 10 EFCDRO CCC[C@@H](OC)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001179309327 1289100421 /nfs/dbraw/zinc/10/04/21/1289100421.db2.gz PEVCJYOKXNRMBM-VDZJLULYSA-N 1 0 348.487 2.898 20 10 EFCDRO c1nnn([C@@H]2CCC[C@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC001173731940 1286789905 /nfs/dbraw/zinc/78/99/05/1286789905.db2.gz DUGQNSPTGKUYJC-PKOBYXMFSA-N 1 0 340.475 2.937 20 10 EFCDRO Cc1c[nH+]ccc1Nc1cc(I)ccc1O ZINC001174538212 1287038149 /nfs/dbraw/zinc/03/81/49/1287038149.db2.gz ADLHXTWPVGQBRA-UHFFFAOYSA-N 1 0 326.137 2.866 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc2cnoc2)cc1C ZINC001135265898 1287887107 /nfs/dbraw/zinc/88/71/07/1287887107.db2.gz GEBMTGVGUDYGPA-CABCVRRESA-N 1 0 345.443 2.607 20 10 EFCDRO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816493436 1288162461 /nfs/dbraw/zinc/16/24/61/1288162461.db2.gz BOPBBFQNZIMHGD-INIZCTEOSA-N 1 0 325.412 2.535 20 10 EFCDRO CC(C)[C@H](C[NH2+]Cc1ccc2ccccc2c1O)N1CCOCC1 ZINC000816531334 1288190863 /nfs/dbraw/zinc/19/08/63/1288190863.db2.gz OHCDRTJMISTOST-IBGZPJMESA-N 1 0 328.456 2.992 20 10 EFCDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816552862 1288211008 /nfs/dbraw/zinc/21/10/08/1288211008.db2.gz ZLSXHWLATBRQDM-JKSUJKDBSA-N 1 0 333.453 2.991 20 10 EFCDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000816662801 1288234924 /nfs/dbraw/zinc/23/49/24/1288234924.db2.gz YWYJBZUVZJQZAH-HXUWFJFHSA-N 1 0 332.488 2.754 20 10 EFCDRO CCOCc1cc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)ccc1OC ZINC000816667698 1288249944 /nfs/dbraw/zinc/24/99/44/1288249944.db2.gz UQTWZIPEWURRTJ-PMACEKPBSA-N 1 0 349.471 2.641 20 10 EFCDRO CC/C=C\CC[NH2+]CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177237824 1288342302 /nfs/dbraw/zinc/34/23/02/1288342302.db2.gz LZYKJCIGVSGUOR-IYYWNQSKSA-N 1 0 331.420 2.915 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)CCCOC(C)C)cc1C ZINC001177396489 1288418863 /nfs/dbraw/zinc/41/88/63/1288418863.db2.gz RQKUTXUTXIFNSA-UHFFFAOYSA-N 1 0 336.476 2.805 20 10 EFCDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000817154451 1288444174 /nfs/dbraw/zinc/44/41/74/1288444174.db2.gz KNLKWZDZMRTKOC-SFHVURJKSA-N 1 0 330.476 2.522 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2oncc2C)cc1C ZINC001135848752 1288481559 /nfs/dbraw/zinc/48/15/59/1288481559.db2.gz MQGAHIZMOXHOEU-LSDHHAIUSA-N 1 0 345.443 2.987 20 10 EFCDRO CC(=O)N[C@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000817368963 1288562515 /nfs/dbraw/zinc/56/25/15/1288562515.db2.gz VWRGXFDURCQQKQ-ZDUSSCGKSA-N 1 0 328.412 2.728 20 10 EFCDRO CNS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000851949502 1299480467 /nfs/dbraw/zinc/48/04/67/1299480467.db2.gz FTPVTHIWKJLKTE-CQSZACIVSA-N 1 0 347.484 2.512 20 10 EFCDRO CCCN1C[C@H](C[NH2+]Cc2cc(Br)ccc2O)CC1=O ZINC000817411321 1288590586 /nfs/dbraw/zinc/59/05/86/1288590586.db2.gz PYKUMQKGENBXHT-NSHDSACASA-N 1 0 341.249 2.503 20 10 EFCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c1O ZINC000817411980 1288590591 /nfs/dbraw/zinc/59/05/91/1288590591.db2.gz ALQVXVHUSGZNSA-JQWIXIFHSA-N 1 0 328.250 2.913 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c1O ZINC000817412549 1288592097 /nfs/dbraw/zinc/59/20/97/1288592097.db2.gz MLNNKAMNAQGANH-MNOVXSKESA-N 1 0 344.249 2.614 20 10 EFCDRO CON1CCC([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000817419023 1288593835 /nfs/dbraw/zinc/59/38/35/1288593835.db2.gz OHZJKCOCBUUBQE-UHFFFAOYSA-N 1 0 348.447 2.701 20 10 EFCDRO OCC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000817418884 1288593911 /nfs/dbraw/zinc/59/39/11/1288593911.db2.gz JYJVTRTVCBJBSO-INIZCTEOSA-N 1 0 336.451 2.647 20 10 EFCDRO CCOCc1cc(C[NH2+][C@H](C)C2(OC)CCOCC2)ccc1OC ZINC000817419256 1288593924 /nfs/dbraw/zinc/59/39/24/1288593924.db2.gz FAGDLDKBGUWVIZ-OAHLLOKOSA-N 1 0 337.460 2.905 20 10 EFCDRO CON1CCC([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000817418493 1288594404 /nfs/dbraw/zinc/59/44/04/1288594404.db2.gz TUUDKQSKONQHKS-UHFFFAOYSA-N 1 0 331.382 2.887 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)C2(OC)CCOCC2)c1O ZINC000817420672 1288595205 /nfs/dbraw/zinc/59/52/05/1288595205.db2.gz XFYQYVMYQXZAKL-NSHDSACASA-N 1 0 329.824 2.728 20 10 EFCDRO COc1cc(C)c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC001232352600 1312684399 /nfs/dbraw/zinc/68/43/99/1312684399.db2.gz QBSLZSAMVNYUOP-UHFFFAOYSA-N 1 0 341.455 2.867 20 10 EFCDRO CN1C(=O)NCC12CC[NH+](Cc1ccc3ccccc3c1O)CC2 ZINC000822530176 1289010743 /nfs/dbraw/zinc/01/07/43/1289010743.db2.gz SOKJXUIOEPJMFJ-UHFFFAOYSA-N 1 0 325.412 2.535 20 10 EFCDRO O=C(NC1CCC(F)CC1)C12CC([NH2+]Cc3cc(O)ccc3O)(C1)C2 ZINC001277658097 1312690966 /nfs/dbraw/zinc/69/09/66/1312690966.db2.gz YGCBPLXSWRDIPQ-UHFFFAOYSA-N 1 0 348.418 2.507 20 10 EFCDRO CCN(C(=O)[C@@H]1CC12CC[NH+](Cc1cc(O)ccc1O)CC2)C(C)C ZINC001277659757 1312692264 /nfs/dbraw/zinc/69/22/64/1312692264.db2.gz GELKSZGPHZXSQF-KRWDZBQOSA-N 1 0 346.471 2.957 20 10 EFCDRO Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903447707 1312693318 /nfs/dbraw/zinc/69/33/18/1312693318.db2.gz BMKFNWRACRCQRH-KUHUBIRLSA-N 1 0 329.492 2.748 20 10 EFCDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cc[nH]c(=O)c1 ZINC000903448004 1312693607 /nfs/dbraw/zinc/69/36/07/1312693607.db2.gz HOIUEASLNGAAMB-KBXCAEBGSA-N 1 0 328.460 2.807 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c2ccccc2n1C ZINC001232402244 1312694044 /nfs/dbraw/zinc/69/40/44/1312694044.db2.gz JSMOULCTDPNNIL-KSSFIOAISA-N 1 0 342.439 2.966 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c2ccccc2n1C ZINC001232402241 1312694122 /nfs/dbraw/zinc/69/41/22/1312694122.db2.gz JSMOULCTDPNNIL-KBXCAEBGSA-N 1 0 342.439 2.966 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c2ccccc2n1C ZINC001232401652 1312694154 /nfs/dbraw/zinc/69/41/54/1312694154.db2.gz ANCRZVBVTHGREV-KDOFPFPSSA-N 1 0 342.439 2.966 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c2ccccc2n1C ZINC001232402321 1312694332 /nfs/dbraw/zinc/69/43/32/1312694332.db2.gz LNOYFMQPJKJNRD-VBKZILBWSA-N 1 0 344.455 2.948 20 10 EFCDRO COC(=O)c1c(CN2CC[C@H]([N@H+](C)C3CC3)C2)c2ccccc2n1C ZINC001232404057 1312694607 /nfs/dbraw/zinc/69/46/07/1312694607.db2.gz KSHBOLXBWHLREH-HNNXBMFYSA-N 1 0 341.455 2.633 20 10 EFCDRO CC[N@H+](CCn1cccn1)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232404947 1312694874 /nfs/dbraw/zinc/69/48/74/1312694874.db2.gz CKVFDMKKRPZLBB-UHFFFAOYSA-N 1 0 340.427 2.684 20 10 EFCDRO CC[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1nccn1C ZINC000903448586 1312694896 /nfs/dbraw/zinc/69/48/96/1312694896.db2.gz QHCIZRKLGMAEHU-QZTJIDSGSA-N 1 0 329.492 2.830 20 10 EFCDRO COC(=O)c1c(C[NH+]2CC(c3cccnc3)C2)c2ccccc2n1C ZINC001232404969 1312695074 /nfs/dbraw/zinc/69/50/74/1312695074.db2.gz CSMIMQCQKDDUOB-UHFFFAOYSA-N 1 0 335.407 2.959 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@@H](C)[C@](C)(O)CC2)c2ccccc2n1C ZINC001232402956 1312695227 /nfs/dbraw/zinc/69/52/27/1312695227.db2.gz SPPVMSIFWOITTJ-JLTOFOAXSA-N 1 0 344.455 2.948 20 10 EFCDRO COC(=O)c1c(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c2ccccc2n1C ZINC001232402967 1312695285 /nfs/dbraw/zinc/69/52/85/1312695285.db2.gz SUXHBHOBZDJARY-HDJSIYSDSA-N 1 0 330.428 2.700 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c2ccccc2n1C ZINC001232405571 1312695475 /nfs/dbraw/zinc/69/54/75/1312695475.db2.gz MXJBQNLLKQVVOF-CXAGYDPISA-N 1 0 328.412 2.576 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCCn3nccc32)N(C)C)cc1 ZINC000903449131 1312695617 /nfs/dbraw/zinc/69/56/17/1312695617.db2.gz VNNMKMATVDFWMS-MJGOQNOKSA-N 1 0 327.476 2.677 20 10 EFCDRO COC(=O)c1c(CN2CC[C@@H]([NH+]3CCCC3)C2)c2ccccc2n1C ZINC001232407678 1312695721 /nfs/dbraw/zinc/69/57/21/1312695721.db2.gz RLWUTRWFAIDIOE-OAHLLOKOSA-N 1 0 341.455 2.635 20 10 EFCDRO CC[NH+](CC)[C@@H]1CCN(Cc2c3ccccc3n(C)c2C(=O)OC)C1 ZINC001232405526 1312695772 /nfs/dbraw/zinc/69/57/72/1312695772.db2.gz MFTJJZJFBAUJQR-OAHLLOKOSA-N 1 0 343.471 2.881 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@]3(CCO3)C2)c2ccccc2n1C ZINC001232406076 1312695963 /nfs/dbraw/zinc/69/59/63/1312695963.db2.gz SRSGPVVBQYZLFN-IBGZPJMESA-N 1 0 328.412 2.720 20 10 EFCDRO COC(=O)c1c(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c2ccccc2n1C ZINC001232410821 1312697315 /nfs/dbraw/zinc/69/73/15/1312697315.db2.gz TYCMQHLKZXGLTL-HIFRSBDPSA-N 1 0 340.423 2.766 20 10 EFCDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(S(C)(=O)=O)cc1 ZINC000823752731 1289438113 /nfs/dbraw/zinc/43/81/13/1289438113.db2.gz LWEAMAOZVYZGEM-AWEZNQCLSA-N 1 0 345.464 2.918 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccccc2)cc1Cn1cccn1 ZINC000873006932 1289515205 /nfs/dbraw/zinc/51/52/05/1289515205.db2.gz CIWCRHUKJVGOSX-LJQANCHMSA-N 1 0 337.423 2.763 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)CN2CCCCC2)cc1Cn1cccn1 ZINC000873013275 1289519429 /nfs/dbraw/zinc/51/94/29/1289519429.db2.gz YZLGFJRMBFOVMB-QGZVFWFLSA-N 1 0 342.487 2.904 20 10 EFCDRO c1cnc2cc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)ccc2n1 ZINC000873020103 1289523753 /nfs/dbraw/zinc/52/37/53/1289523753.db2.gz FHXNQHWVIBAXKP-UHFFFAOYSA-N 1 0 334.423 2.756 20 10 EFCDRO COc1ccc(C[NH2+]C[C@]2(C)CN(C(=O)C3CC3)C[C@H]2C)cc1C ZINC001180447287 1289525916 /nfs/dbraw/zinc/52/59/16/1289525916.db2.gz QGXQRVVQVLRBKH-FOIQADDNSA-N 1 0 330.472 2.988 20 10 EFCDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873066408 1289549530 /nfs/dbraw/zinc/54/95/30/1289549530.db2.gz UZYBQXFJHCCCFZ-MAUKXSAKSA-N 1 0 331.460 2.827 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CSCCS2)cc1Cn1cccn1 ZINC000873074097 1289554080 /nfs/dbraw/zinc/55/40/80/1289554080.db2.gz IOJQTSZVVCTXIT-MRXNPFEDSA-N 1 0 349.525 2.878 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](OC)C2(C)C)cc1Cn1cccn1 ZINC000873075549 1289555011 /nfs/dbraw/zinc/55/50/11/1289555011.db2.gz XJHRPMPPEWVBKM-MSOLQXFVSA-N 1 0 329.444 2.843 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)cc1Cn1cccn1 ZINC000873076194 1289555401 /nfs/dbraw/zinc/55/54/01/1289555401.db2.gz AMZRRYYEUWZXMY-BEFAXECRSA-N 1 0 340.471 2.512 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)cc1Cn1cccn1 ZINC000873102689 1289568844 /nfs/dbraw/zinc/56/88/44/1289568844.db2.gz NNGOWHKOJIJSSV-DOTOQJQBSA-N 1 0 329.444 2.845 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C(C)C)C(C)(C)O)cc1Cn1cccn1 ZINC000873113822 1289574625 /nfs/dbraw/zinc/57/46/25/1289574625.db2.gz LBZZCOCQUKROFL-SFHVURJKSA-N 1 0 331.460 2.825 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)cc1Cn1cccn1 ZINC000873128195 1289582845 /nfs/dbraw/zinc/58/28/45/1289582845.db2.gz GVFKARSKLZYTJU-CQSZACIVSA-N 1 0 338.411 2.891 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C2(OC)CCC2)cc1Cn1cccn1 ZINC000873132152 1289586960 /nfs/dbraw/zinc/58/69/60/1289586960.db2.gz JNDMXWGDZUOMTG-HNNXBMFYSA-N 1 0 329.444 2.987 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)cc1Cn1cccn1 ZINC000873132113 1289587617 /nfs/dbraw/zinc/58/76/17/1289587617.db2.gz HZLQMDCZHLFLNC-UXLLHSPISA-N 1 0 329.444 2.843 20 10 EFCDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873134878 1289590027 /nfs/dbraw/zinc/59/00/27/1289590027.db2.gz VPWYHPYAGDRPMG-MAUKXSAKSA-N 1 0 331.460 2.827 20 10 EFCDRO CCCN1CC[C@H]([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000873138916 1289593003 /nfs/dbraw/zinc/59/30/03/1289593003.db2.gz OTZIBCYQJSUSTD-SFHVURJKSA-N 1 0 328.460 2.514 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1Cn1cccn1 ZINC000873142724 1289595543 /nfs/dbraw/zinc/59/55/43/1289595543.db2.gz VDZVPRHPJLDZBN-SFHVURJKSA-N 1 0 342.487 2.762 20 10 EFCDRO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(O)c(C(C)(C)C)c1 ZINC000825658720 1289603117 /nfs/dbraw/zinc/60/31/17/1289603117.db2.gz SGOUNMDZSCJTDN-NUTKFTJISA-N 1 0 346.471 2.784 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(O)c1 ZINC000824321193 1289606130 /nfs/dbraw/zinc/60/61/30/1289606130.db2.gz PUNJVTWMJOWFGL-CYBMUJFWSA-N 1 0 349.452 2.698 20 10 EFCDRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2cccc(OC)c2O)c1 ZINC000873195604 1289633935 /nfs/dbraw/zinc/63/39/35/1289633935.db2.gz OISDKIWBNOITQX-KZULUSFZSA-N 1 0 347.411 2.630 20 10 EFCDRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000873195666 1289634082 /nfs/dbraw/zinc/63/40/82/1289634082.db2.gz OUCDIRGONJOUHZ-ZUOKHONESA-N 1 0 343.423 2.850 20 10 EFCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824474997 1289662433 /nfs/dbraw/zinc/66/24/33/1289662433.db2.gz XEOOMTVEARAEAM-LBPRGKRZSA-N 1 0 342.233 2.930 20 10 EFCDRO Cc1cc(Br)cc(CN[C@@]23CCC[C@@H]2[NH2+]CC3)c1O ZINC000873230252 1289664428 /nfs/dbraw/zinc/66/44/28/1289664428.db2.gz OEJWXSJGSYSJAL-DZGCQCFKSA-N 1 0 325.250 2.837 20 10 EFCDRO Cc1cc(Br)cc(CN[C@]23CCC[C@@H]2[NH2+]CC3)c1O ZINC000873230255 1289664789 /nfs/dbraw/zinc/66/47/89/1289664789.db2.gz OEJWXSJGSYSJAL-ZFWWWQNUSA-N 1 0 325.250 2.837 20 10 EFCDRO Cc1cc(Br)cc(CN[C@@]23CCC[C@H]2[NH2+]CC3)c1O ZINC000873230254 1289666063 /nfs/dbraw/zinc/66/60/63/1289666063.db2.gz OEJWXSJGSYSJAL-UKRRQHHQSA-N 1 0 325.250 2.837 20 10 EFCDRO CCOCCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001181191897 1289734440 /nfs/dbraw/zinc/73/44/40/1289734440.db2.gz AUKSPHINTCVKTG-QGZVFWFLSA-N 1 0 334.460 2.511 20 10 EFCDRO C[NH+](C)C1CCC([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000817416274 1289920085 /nfs/dbraw/zinc/92/00/85/1289920085.db2.gz XIHUWZJHNFABDI-UHFFFAOYSA-N 1 0 327.812 2.916 20 10 EFCDRO CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016369046 1312747478 /nfs/dbraw/zinc/74/74/78/1312747478.db2.gz QQVPOSHETCYDAV-WFASDCNBSA-N 1 0 331.420 2.699 20 10 EFCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCc3ncc(Br)n3C1)CC2 ZINC000903481117 1312747600 /nfs/dbraw/zinc/74/76/00/1312747600.db2.gz VICSSEFVHMATIS-RYUDHWBXSA-N 1 0 348.244 2.943 20 10 EFCDRO CCNC(=O)C1(C[NH2+]Cc2ccc(Br)cc2O)CCC1 ZINC000825692237 1290032638 /nfs/dbraw/zinc/03/26/38/1290032638.db2.gz GHWMNBZETBMFEP-UHFFFAOYSA-N 1 0 341.249 2.551 20 10 EFCDRO CC[C@@H](C)OCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001182089227 1290082736 /nfs/dbraw/zinc/08/27/36/1290082736.db2.gz RKKQJPKJPRRCJX-NVXWUHKLSA-N 1 0 334.460 2.509 20 10 EFCDRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000873914166 1290116969 /nfs/dbraw/zinc/11/69/69/1290116969.db2.gz NXJUJAMZCUFZOB-UHFFFAOYSA-N 1 0 331.420 2.794 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c1O ZINC001204339276 1290184952 /nfs/dbraw/zinc/18/49/52/1290184952.db2.gz FDQBBGDRSIJBHU-CABZTGNLSA-N 1 0 330.222 2.509 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001182553587 1290217415 /nfs/dbraw/zinc/21/74/15/1290217415.db2.gz AAYPQOGJGNTKTM-IBGZPJMESA-N 1 0 329.488 2.976 20 10 EFCDRO O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCc2cccc(O)c2C1 ZINC001183567456 1290365654 /nfs/dbraw/zinc/36/56/54/1290365654.db2.gz SXVJQSDHIUXNAK-GOSISDBHSA-N 1 0 336.435 2.799 20 10 EFCDRO COCCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001183688760 1290384484 /nfs/dbraw/zinc/38/44/84/1290384484.db2.gz FOEJFHNNQWXHIL-SJLPKXTDSA-N 1 0 348.487 2.614 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@@H](C)CCC[C@@H]1C)cc2=O ZINC000125404110 1290521881 /nfs/dbraw/zinc/52/18/81/1290521881.db2.gz AGFFFHPRVAARNI-STQMWFEESA-N 1 0 346.431 2.622 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H](C)c2ccco2)cc1C ZINC001166535993 1312790494 /nfs/dbraw/zinc/79/04/94/1312790494.db2.gz XFHAPNZCADZUPE-OAHLLOKOSA-N 1 0 330.428 2.996 20 10 EFCDRO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232834988 1312791337 /nfs/dbraw/zinc/79/13/37/1312791337.db2.gz SYMSTDHVQFCXRB-MRXNPFEDSA-N 1 0 333.476 2.539 20 10 EFCDRO CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(N(C)C)cc3O)CC[C@H]21 ZINC001232837269 1312791547 /nfs/dbraw/zinc/79/15/47/1312791547.db2.gz CSOGYWDTNSWVCK-CRAIPNDOSA-N 1 0 345.487 2.537 20 10 EFCDRO CC(C)CC(=O)NC1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232839795 1312792164 /nfs/dbraw/zinc/79/21/64/1312792164.db2.gz VOFVHDNNCKCIFX-UHFFFAOYSA-N 1 0 333.476 2.585 20 10 EFCDRO CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232837878 1312792516 /nfs/dbraw/zinc/79/25/16/1312792516.db2.gz OAEVXBKWHCKZDO-HXUWFJFHSA-N 1 0 345.487 2.825 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](Oc3cccnc3)C2)c(O)c1 ZINC001232838321 1312792578 /nfs/dbraw/zinc/79/25/78/1312792578.db2.gz DTRIHHADIZHTRJ-GOSISDBHSA-N 1 0 327.428 2.897 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(Oc3ccccn3)CC2)c(O)c1 ZINC001232839596 1312792583 /nfs/dbraw/zinc/79/25/83/1312792583.db2.gz RFDNQPXLSAULAC-UHFFFAOYSA-N 1 0 327.428 2.897 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)CC(C)(C)C)CC2)c(O)c1 ZINC001232841658 1312793054 /nfs/dbraw/zinc/79/30/54/1312793054.db2.gz NNYPALXQLYQNJX-UHFFFAOYSA-N 1 0 347.503 2.975 20 10 EFCDRO CN(C)c1ccc(CN2CCC([N@H+](C)C3CCOCC3)CC2)c(O)c1 ZINC001232840196 1312793435 /nfs/dbraw/zinc/79/34/35/1312793435.db2.gz OWYVVZITGZPOOO-UHFFFAOYSA-N 1 0 347.503 2.533 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCCN(c3cccnc3)CC2)c(O)c1 ZINC001232841934 1312793693 /nfs/dbraw/zinc/79/36/93/1312793693.db2.gz UUQYTCUUGMMEFN-UHFFFAOYSA-N 1 0 326.444 2.566 20 10 EFCDRO CN(C)c1ccc(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)c(O)c1 ZINC001232841996 1312794280 /nfs/dbraw/zinc/79/42/80/1312794280.db2.gz GXAIRJNRAAEPEZ-ZWKOTPCHSA-N 1 0 335.467 2.857 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)cc1F ZINC000092100799 1290644791 /nfs/dbraw/zinc/64/47/91/1290644791.db2.gz PNUADXYHYCZQCL-QGZVFWFLSA-N 1 0 335.467 2.972 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)cc1F ZINC000092100798 1290644982 /nfs/dbraw/zinc/64/49/82/1290644982.db2.gz PNUADXYHYCZQCL-KRWDZBQOSA-N 1 0 335.467 2.972 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000092218457 1290665049 /nfs/dbraw/zinc/66/50/49/1290665049.db2.gz NXYJAFHXCDZBAF-HXUWFJFHSA-N 1 0 331.504 2.829 20 10 EFCDRO CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001185771906 1290759844 /nfs/dbraw/zinc/75/98/44/1290759844.db2.gz PCDWXMTYECRKHZ-HIFRSBDPSA-N 1 0 345.447 2.947 20 10 EFCDRO COc1cccc(CNC(=O)NCCC2CC[NH+](C(C)C)CC2)c1O ZINC000876029421 1290761023 /nfs/dbraw/zinc/76/10/23/1290761023.db2.gz CQFZFUKKUORQLD-UHFFFAOYSA-N 1 0 349.475 2.711 20 10 EFCDRO Cc1ccc(O)c(C[NH+]2CCN(CCCOCC(F)(F)F)CC2)c1 ZINC000092505464 1290782186 /nfs/dbraw/zinc/78/21/86/1290782186.db2.gz ACFVJUQTQJEQHU-UHFFFAOYSA-N 1 0 346.393 2.787 20 10 EFCDRO NC(=O)CC[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000092659879 1290800260 /nfs/dbraw/zinc/80/02/60/1290800260.db2.gz MIBASPZOXAFQMO-LLVKDONJSA-N 1 0 341.249 2.632 20 10 EFCDRO Cc1ccc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c(O)c1 ZINC000876611992 1290954650 /nfs/dbraw/zinc/95/46/50/1290954650.db2.gz YPXPPNAFVVVQRC-UHFFFAOYSA-N 1 0 330.350 2.591 20 10 EFCDRO CCC[N@H+](CCOC)Cc1ccc(I)cc1O ZINC001232974948 1312823412 /nfs/dbraw/zinc/82/34/12/1312823412.db2.gz UGAMZDBJMMYMMI-UHFFFAOYSA-N 1 0 349.212 2.855 20 10 EFCDRO CC[NH2+][C@@H](C)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000876699447 1290984380 /nfs/dbraw/zinc/98/43/80/1290984380.db2.gz ZFZANWXSQLBPCQ-JTQLQIEISA-N 1 0 329.238 2.501 20 10 EFCDRO COC(=O)N1CCC(C[NH2+]Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825892923 1290985150 /nfs/dbraw/zinc/98/51/50/1290985150.db2.gz KSOUNBZKIIHBJF-UHFFFAOYSA-N 1 0 326.824 2.922 20 10 EFCDRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH+]3CCC3)c(O)c2)CC1 ZINC001232979835 1312823997 /nfs/dbraw/zinc/82/39/97/1312823997.db2.gz AQBRNYRCVUZUIO-UHFFFAOYSA-N 1 0 347.459 2.655 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])c2cccc(OC)c2)cc1 ZINC000876728372 1290991865 /nfs/dbraw/zinc/99/18/65/1290991865.db2.gz KFZXTYLTAQYTHU-LJQANCHMSA-N 1 0 341.455 2.858 20 10 EFCDRO CC(C)CC[C@H]([NH3+])C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000876731172 1290993697 /nfs/dbraw/zinc/99/36/97/1290993697.db2.gz PGPHSZXXLLMSHV-KRWDZBQOSA-N 1 0 335.517 2.620 20 10 EFCDRO Oc1cc(I)ccc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001232978246 1312824650 /nfs/dbraw/zinc/82/46/50/1312824650.db2.gz CZHTZGGHDOXDOD-JOYOIKCWSA-N 1 0 329.181 2.981 20 10 EFCDRO Cc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(O)c1 ZINC000876753543 1291006921 /nfs/dbraw/zinc/00/69/21/1291006921.db2.gz MBLWJHKYMHBCIR-AWEZNQCLSA-N 1 0 328.372 2.690 20 10 EFCDRO CC[N@H+](Cc1cc(Br)ccc1O)C[C@]1(OC)CCOC1 ZINC000876794699 1291024651 /nfs/dbraw/zinc/02/46/51/1291024651.db2.gz ZSAPRACZKWMKNF-OAHLLOKOSA-N 1 0 344.249 2.782 20 10 EFCDRO Cc1ccc([C@H](C[NH2+]Cc2c(C)cccc2O)N2CCOCC2)o1 ZINC000876903393 1291066288 /nfs/dbraw/zinc/06/62/88/1291066288.db2.gz NBSGOAONFYRHPI-KRWDZBQOSA-N 1 0 330.428 2.765 20 10 EFCDRO Cc1ccc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)c(O)c1 ZINC000876903212 1291066539 /nfs/dbraw/zinc/06/65/39/1291066539.db2.gz SYOGMMKDSUMGNG-LJQANCHMSA-N 1 0 326.440 2.864 20 10 EFCDRO Cc1ccc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c(O)c1 ZINC000876903211 1291066588 /nfs/dbraw/zinc/06/65/88/1291066588.db2.gz SYOGMMKDSUMGNG-IBGZPJMESA-N 1 0 326.440 2.864 20 10 EFCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000876904825 1291067088 /nfs/dbraw/zinc/06/70/88/1291067088.db2.gz LLPZGNAZMBUPHN-SFHVURJKSA-N 1 0 326.440 2.691 20 10 EFCDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876916720 1291070710 /nfs/dbraw/zinc/07/07/10/1291070710.db2.gz YXQWTEFRMZSJAM-MRXNPFEDSA-N 1 0 342.487 2.579 20 10 EFCDRO Cc1ccnc(O[C@H]2CCCN(Cc3cc(O)c(O)c(O)c3)C2)c1 ZINC001233016280 1312832390 /nfs/dbraw/zinc/83/23/90/1312832390.db2.gz RMXFYXFTCOXEEK-AWEZNQCLSA-N 1 0 330.384 2.550 20 10 EFCDRO Clc1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)nn1 ZINC000876942701 1291080488 /nfs/dbraw/zinc/08/04/88/1291080488.db2.gz BUMHZHKLXPQGFV-UHFFFAOYSA-N 1 0 334.876 2.973 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]CCOc3cccc(F)c3)cc2)CC1 ZINC000876953984 1291083843 /nfs/dbraw/zinc/08/38/43/1291083843.db2.gz AILPNZOAOHZSNE-UHFFFAOYSA-N 1 0 344.430 2.955 20 10 EFCDRO CC[C@@H](C)[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)OC ZINC000876965618 1291088745 /nfs/dbraw/zinc/08/87/45/1291088745.db2.gz JGELLVJISJEIMY-KUHUBIRLSA-N 1 0 338.467 2.938 20 10 EFCDRO C[C@H](CN1CCC[C@H](C)C1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876964734 1291089451 /nfs/dbraw/zinc/08/94/51/1291089451.db2.gz OLSKYUVTXKRGTK-ZWKOTPCHSA-N 1 0 345.531 2.858 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H](C)C[C@H]3CCCC(=O)N3)CC2)cc1 ZINC000876999870 1291102950 /nfs/dbraw/zinc/10/29/50/1291102950.db2.gz ZXNZUVZRGXGYTB-DOTOQJQBSA-N 1 0 345.487 2.701 20 10 EFCDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825927290 1291103097 /nfs/dbraw/zinc/10/30/97/1291103097.db2.gz AZUMUJSIZRSKGT-LBPRGKRZSA-N 1 0 336.233 2.878 20 10 EFCDRO Cc1ccnc(O[C@@H]2CCCN(Cc3cc(O)c(O)c(O)c3)C2)c1 ZINC001233016281 1312832481 /nfs/dbraw/zinc/83/24/81/1312832481.db2.gz RMXFYXFTCOXEEK-CQSZACIVSA-N 1 0 330.384 2.550 20 10 EFCDRO CN(Cc1cncc(Br)c1)Cc1cc(O)c(O)c(O)c1 ZINC001233014359 1312832655 /nfs/dbraw/zinc/83/26/55/1312832655.db2.gz QXTOCPZGFAHRGN-UHFFFAOYSA-N 1 0 339.189 2.593 20 10 EFCDRO Cc1ccc(C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c(O)c1 ZINC000877047771 1291115980 /nfs/dbraw/zinc/11/59/80/1291115980.db2.gz FKLAVEYSFGFZPY-MRXNPFEDSA-N 1 0 349.814 2.948 20 10 EFCDRO COC(=O)c1ccc([C@@H]2CCCN2Cc2cc(O)c(O)c(O)c2)cc1 ZINC001233016174 1312832830 /nfs/dbraw/zinc/83/28/30/1312832830.db2.gz OYWBFWCRKAHRTB-HNNXBMFYSA-N 1 0 343.379 2.927 20 10 EFCDRO Cc1cccc(O)c1C[NH2+]CCNc1nccc(C(F)(F)F)n1 ZINC000877054816 1291119271 /nfs/dbraw/zinc/11/92/71/1291119271.db2.gz LEPKRKHHFPDTNS-UHFFFAOYSA-N 1 0 326.322 2.711 20 10 EFCDRO Oc1cc(C[NH+]2CCC(n3ncc4ccccc43)CC2)cc(O)c1O ZINC001233016523 1312833370 /nfs/dbraw/zinc/83/33/70/1312833370.db2.gz GRNUYJSSIJDPPL-UHFFFAOYSA-N 1 0 339.395 2.990 20 10 EFCDRO CCN(Cc1cc(O)c(O)c(O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233016775 1312833514 /nfs/dbraw/zinc/83/35/14/1312833514.db2.gz NZPWAISJNVZDER-KRWDZBQOSA-N 1 0 342.439 2.900 20 10 EFCDRO COc1cc(C[C@@H](CO)C[NH2+]Cc2c(C)cccc2O)cc(OC)c1 ZINC000877077087 1291126355 /nfs/dbraw/zinc/12/63/55/1291126355.db2.gz WKZLDAIGDBVIBT-MRXNPFEDSA-N 1 0 345.439 2.659 20 10 EFCDRO CC[C@H](C)[C@H](C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)OC ZINC000877146002 1291146198 /nfs/dbraw/zinc/14/61/98/1291146198.db2.gz OPKUTXHRNUBQHO-IEZWGBDMSA-N 1 0 347.503 2.539 20 10 EFCDRO COCC1(C)CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877171261 1291153688 /nfs/dbraw/zinc/15/36/88/1291153688.db2.gz CKVXLEDNNZNZRF-UHFFFAOYSA-N 1 0 332.488 2.896 20 10 EFCDRO COCCCOC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093561399 1291173600 /nfs/dbraw/zinc/17/36/00/1291173600.db2.gz JXMCNHHVNQUUTD-UHFFFAOYSA-N 1 0 348.487 2.541 20 10 EFCDRO O=C1N(c2ccccc2)CC12CN(Cc1cc(Cl)ccc1O)C2 ZINC001203664304 1291195108 /nfs/dbraw/zinc/19/51/08/1291195108.db2.gz XRJNCULGMYIYCM-UHFFFAOYSA-N 1 0 328.799 2.894 20 10 EFCDRO c1csc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000093692148 1291196428 /nfs/dbraw/zinc/19/64/28/1291196428.db2.gz JWERYWQRBYLJBY-UHFFFAOYSA-N 1 0 343.496 2.907 20 10 EFCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1nccs1 ZINC000877339312 1291198912 /nfs/dbraw/zinc/19/89/12/1291198912.db2.gz XFFPGNAANHEEQD-AWEZNQCLSA-N 1 0 331.485 2.998 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](C2CC2)O1 ZINC000877486927 1291245429 /nfs/dbraw/zinc/24/54/29/1291245429.db2.gz OESBUMDFACNYDK-FOIQADDNSA-N 1 0 330.472 2.647 20 10 EFCDRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2c(C)cccc2O)s1 ZINC000877522341 1291258598 /nfs/dbraw/zinc/25/85/98/1291258598.db2.gz CYAMXXVENUOFGR-RYUDHWBXSA-N 1 0 348.472 2.867 20 10 EFCDRO C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C2)C1 ZINC000877552076 1291272756 /nfs/dbraw/zinc/27/27/56/1291272756.db2.gz PTFNEOHMHUJFBS-NRFANRHFSA-N 1 0 343.515 2.565 20 10 EFCDRO CC1(C)CCCN1CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877576089 1291278303 /nfs/dbraw/zinc/27/83/03/1291278303.db2.gz FIGFKKITILYMKU-UHFFFAOYSA-N 1 0 331.504 2.612 20 10 EFCDRO Cc1ccc2c(c1)C[N@@H+](Cc1cc3c(cc1O)OC[C@@H]3O)CCO2 ZINC000795712032 1291278960 /nfs/dbraw/zinc/27/89/60/1291278960.db2.gz VJGFUVSERNRYHB-KRWDZBQOSA-N 1 0 327.380 2.521 20 10 EFCDRO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c(O)c1 ZINC000877642640 1291302380 /nfs/dbraw/zinc/30/23/80/1291302380.db2.gz PFYNPYHFYOCPOS-YPMHNXCESA-N 1 0 330.350 2.590 20 10 EFCDRO Cc1cc(O)c(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)cc1Cl ZINC000877673970 1291324129 /nfs/dbraw/zinc/32/41/29/1291324129.db2.gz JHAOSMAZIFSYDE-LBPRGKRZSA-N 1 0 334.729 2.839 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000877675266 1291325293 /nfs/dbraw/zinc/32/52/93/1291325293.db2.gz PTVBVEGIEPUSQB-CQSZACIVSA-N 1 0 327.354 2.546 20 10 EFCDRO CCOC(=O)C1CCC([NH2+]Cc2cc(OC)c(OC)cc2O)CC1 ZINC000877717080 1291344224 /nfs/dbraw/zinc/34/42/24/1291344224.db2.gz FRWSZBZSSVJFOO-UHFFFAOYSA-N 1 0 337.416 2.621 20 10 EFCDRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2cccc(C)c2O)c1 ZINC000877832913 1291400599 /nfs/dbraw/zinc/40/05/99/1291400599.db2.gz TVEAYKQOFIQQJU-BFUOFWGJSA-N 1 0 331.412 2.930 20 10 EFCDRO CCCN(C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CC[N@H+](C)C1 ZINC000826020987 1291481885 /nfs/dbraw/zinc/48/18/85/1291481885.db2.gz ZRRQVEHYTSJOOE-GOSISDBHSA-N 1 0 344.503 2.695 20 10 EFCDRO CCN(CC)c1ccc(CN(C)C(=O)C2(COC)CC[NH2+]CC2)cc1 ZINC000826020374 1291482980 /nfs/dbraw/zinc/48/29/80/1291482980.db2.gz SNBXUVLVMWCHPG-UHFFFAOYSA-N 1 0 347.503 2.507 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)cc1Br ZINC001233137420 1312864478 /nfs/dbraw/zinc/86/44/78/1312864478.db2.gz MYMPEVUIBPKLJP-BMIGLBTASA-N 1 0 342.233 2.774 20 10 EFCDRO COc1cc(O)c(CN(C)CC[NH+]2CCCC2)cc1Br ZINC001233140378 1312864688 /nfs/dbraw/zinc/86/46/88/1312864688.db2.gz HJGRNRKHHXECKE-UHFFFAOYSA-N 1 0 343.265 2.691 20 10 EFCDRO CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C1C[NH+](CC2CCC2)C1 ZINC000957442647 1291570957 /nfs/dbraw/zinc/57/09/57/1291570957.db2.gz HCXFTEBPPJDCEH-UHFFFAOYSA-N 1 0 343.431 2.795 20 10 EFCDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1ccc(Br)cc1O)C(C)C ZINC000826048336 1291711776 /nfs/dbraw/zinc/71/17/76/1291711776.db2.gz HUEVIYBANNHYBT-AWEZNQCLSA-N 1 0 343.265 2.747 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C)co3)cc2F)CC1 ZINC000878761926 1291777438 /nfs/dbraw/zinc/77/74/38/1291777438.db2.gz RTJLDIVLBKAINZ-UHFFFAOYSA-N 1 0 345.418 2.799 20 10 EFCDRO CCOC(=O)c1c(CN(CC)CC[NH+](C)C)c2ccccc2n1C ZINC001233270210 1312889008 /nfs/dbraw/zinc/88/90/08/1312889008.db2.gz FEBOXXBVSXFYEH-UHFFFAOYSA-N 1 0 331.460 2.739 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCOC[C@H](C)C2)c2ccccc2n1C ZINC001233270459 1312890149 /nfs/dbraw/zinc/89/01/49/1312890149.db2.gz OSKABIMKROEVEB-CQSZACIVSA-N 1 0 330.428 2.823 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)c2ccccc2n1C ZINC001233270641 1312890396 /nfs/dbraw/zinc/89/03/96/1312890396.db2.gz VBDZILANTRWSEF-KSSFIOAISA-N 1 0 344.455 2.948 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[N@H+](CC)CC2)c2ccccc2n1C ZINC001233270530 1312890458 /nfs/dbraw/zinc/89/04/58/1312890458.db2.gz QRWBXKBQPKCAKJ-UHFFFAOYSA-N 1 0 343.471 2.883 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)c2ccccc2n1C ZINC001233270560 1312890594 /nfs/dbraw/zinc/89/05/94/1312890594.db2.gz RPKQSAARYZZOGB-KSSFIOAISA-N 1 0 344.455 2.948 20 10 EFCDRO CCOC(=O)c1c(C[N@H+](CC)CCC(=O)OC)c2ccccc2n1C ZINC001233272995 1312890784 /nfs/dbraw/zinc/89/07/84/1312890784.db2.gz KDCFYISQXVDJER-UHFFFAOYSA-N 1 0 346.427 2.740 20 10 EFCDRO CCOC(=O)c1c(C[N@H+](C)CCC2OCCO2)c2ccccc2n1C ZINC001233273186 1312890901 /nfs/dbraw/zinc/89/09/01/1312890901.db2.gz RBKVFAYBYPKSDK-UHFFFAOYSA-N 1 0 346.427 2.550 20 10 EFCDRO CCOC(=O)c1c(CN2CCOC[C@@H]2C2CC2)c2ccccc2n1C ZINC001233272809 1312891120 /nfs/dbraw/zinc/89/11/20/1312891120.db2.gz BUZLUMDWSPJPOD-GOSISDBHSA-N 1 0 342.439 2.966 20 10 EFCDRO COc1cc(Cl)cc(C[NH+]2CCC3(CCCC(=O)N3)CC2)c1O ZINC001233289406 1312896195 /nfs/dbraw/zinc/89/61/95/1312896195.db2.gz VJZLZVXSCDOTDL-UHFFFAOYSA-N 1 0 338.835 2.689 20 10 EFCDRO COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCC3(C2)OCCO3)c1O ZINC001233290820 1312896247 /nfs/dbraw/zinc/89/62/47/1312896247.db2.gz YBZVZPUOFMEBHB-CYBMUJFWSA-N 1 0 327.808 2.782 20 10 EFCDRO CC(C)(C)c1ccc(O)c(CN2CCO[C@H](C[NH+]3CCCC3)C2)c1 ZINC001233287516 1312896840 /nfs/dbraw/zinc/89/68/40/1312896840.db2.gz UINUZSKVQUUBAE-GOSISDBHSA-N 1 0 332.488 2.986 20 10 EFCDRO C[C@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1ccc(N(C)C)cc1 ZINC000775361925 1292032784 /nfs/dbraw/zinc/03/27/84/1292032784.db2.gz GTOKGRZLTUZDAH-HNNXBMFYSA-N 1 0 325.460 2.994 20 10 EFCDRO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)s1)c1ccc(N(C)C)cc1 ZINC000775363167 1292035585 /nfs/dbraw/zinc/03/55/85/1292035585.db2.gz KWJVLKGGHHHGGD-CQSZACIVSA-N 1 0 346.500 2.897 20 10 EFCDRO COc1ccc(N2CC[NH+](CCCc3ccncc3)CC2)c(OC)c1 ZINC000879463271 1292145851 /nfs/dbraw/zinc/14/58/51/1292145851.db2.gz SYVFDIZWLTURLD-UHFFFAOYSA-N 1 0 341.455 2.854 20 10 EFCDRO C[C@@H]([NH2+]CCN(Cc1ccccc1)S(C)(=O)=O)c1ccccc1O ZINC000879649436 1292217688 /nfs/dbraw/zinc/21/76/88/1292217688.db2.gz SXSRYSWGHTWYQK-OAHLLOKOSA-N 1 0 348.468 2.505 20 10 EFCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)NC(=O)NC1CCCCC1 ZINC000879648420 1292217868 /nfs/dbraw/zinc/21/78/68/1292217868.db2.gz OFCFLQXDRAPDDW-CHWSQXEVSA-N 1 0 333.432 2.590 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)NCCO[C@@H]1CCCC[C@H]1C)c1ccccc1O ZINC000879648223 1292218609 /nfs/dbraw/zinc/21/86/09/1292218609.db2.gz FKRQIHGIXHAVRN-IIDMSEBBSA-N 1 0 334.460 2.754 20 10 EFCDRO COc1cccc(S(=O)(=O)CC[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879649810 1292220122 /nfs/dbraw/zinc/22/01/22/1292220122.db2.gz VBUQZKAYMODKPF-CYBMUJFWSA-N 1 0 335.425 2.525 20 10 EFCDRO COc1cccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879649826 1292220515 /nfs/dbraw/zinc/22/05/15/1292220515.db2.gz VWHOSZZWXKRTLD-ZIAGYGMSSA-N 1 0 328.412 2.756 20 10 EFCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000826123860 1292267996 /nfs/dbraw/zinc/26/79/96/1292267996.db2.gz WETCTHHNZFVGSW-HNNXBMFYSA-N 1 0 342.233 2.930 20 10 EFCDRO CNC(=O)NC1CC[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000826123934 1292269313 /nfs/dbraw/zinc/26/93/13/1292269313.db2.gz XFHXLPNWTVWZIQ-UHFFFAOYSA-N 1 0 349.475 2.592 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000957849682 1292298614 /nfs/dbraw/zinc/29/86/14/1292298614.db2.gz PFRKNWWMODDXAT-UHFFFAOYSA-N 1 0 343.431 2.797 20 10 EFCDRO CCO[C@@H]1C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3O)CC[N@@H+]2C1 ZINC001233453460 1312935189 /nfs/dbraw/zinc/93/51/89/1312935189.db2.gz HURQUTTZOHTBBW-LSDHHAIUSA-N 1 0 344.377 2.706 20 10 EFCDRO O=C1CCCN1C1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233455026 1312935205 /nfs/dbraw/zinc/93/52/05/1312935205.db2.gz SOWPIYJDQAVTNH-UHFFFAOYSA-N 1 0 342.361 2.998 20 10 EFCDRO O=C1OCCN1C1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233455099 1312935253 /nfs/dbraw/zinc/93/52/53/1312935253.db2.gz WICBTGIPHBRWCD-UHFFFAOYSA-N 1 0 344.333 2.828 20 10 EFCDRO O=C1NCCCC12CC[NH+](Cc1ccc(C(F)(F)F)cc1O)CC2 ZINC001233454278 1312935429 /nfs/dbraw/zinc/93/54/29/1312935429.db2.gz OFQIDCZMNHBWRW-UHFFFAOYSA-N 1 0 342.361 2.903 20 10 EFCDRO O=C1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@@H]2CCCN12 ZINC001233455282 1312935909 /nfs/dbraw/zinc/93/59/09/1312935909.db2.gz DNXGGCINDRVREK-ZDUSSCGKSA-N 1 0 328.334 2.608 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1O ZINC001233485244 1312939321 /nfs/dbraw/zinc/93/93/21/1312939321.db2.gz OBHUOTZLJXHNDL-UHFFFAOYSA-N 1 0 333.359 2.986 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC(OCc3ccccc3)CC2)cc1O ZINC001233485360 1312939529 /nfs/dbraw/zinc/93/95/29/1312939529.db2.gz SCWIQNAYEQVKEL-UHFFFAOYSA-N 1 0 329.396 2.985 20 10 EFCDRO CC[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc(O)c(O)cc1O ZINC001233487096 1312940349 /nfs/dbraw/zinc/94/03/49/1312940349.db2.gz PEXVKPNHCPJFPM-KRWDZBQOSA-N 1 0 342.439 2.900 20 10 EFCDRO Oc1cc(O)c(C[N@H+](Cc2ccccc2)C2CCOCC2)cc1O ZINC001233486102 1312940660 /nfs/dbraw/zinc/94/06/60/1312940660.db2.gz YOSVYOCXFODQFB-UHFFFAOYSA-N 1 0 329.396 2.985 20 10 EFCDRO COC[C@@H](C)[N@H+](Cc1cccc(OC)c1)Cc1cc(O)c(O)cc1O ZINC001233486403 1312940678 /nfs/dbraw/zinc/94/06/78/1312940678.db2.gz LXKAXHZIIWDMHX-CYBMUJFWSA-N 1 0 347.411 2.849 20 10 EFCDRO CCOC(=O)C1(C(C)C)CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233486931 1312940712 /nfs/dbraw/zinc/94/07/12/1312940712.db2.gz IRNTZTQSTWFAGY-UHFFFAOYSA-N 1 0 337.416 2.605 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC3(COc4ccccc43)CC2)cc1O ZINC001233487114 1312940775 /nfs/dbraw/zinc/94/07/75/1312940775.db2.gz QHXKSBGQYZBLBU-UHFFFAOYSA-N 1 0 327.380 2.730 20 10 EFCDRO COc1ccccc1[C@H](O)C[N@H+](Cc1cc(O)c(O)cc1O)C(C)C ZINC001233486604 1312940838 /nfs/dbraw/zinc/94/08/38/1312940838.db2.gz UGSYDFQWHACWFT-GOSISDBHSA-N 1 0 347.411 2.756 20 10 EFCDRO c1ccc(CN2CCc3cc(C[NH2+]C[C@@H]4COCCO4)ccc32)cc1 ZINC000796270618 1292711261 /nfs/dbraw/zinc/71/12/61/1292711261.db2.gz JSIYIMWYJPPJKK-HXUWFJFHSA-N 1 0 338.451 2.754 20 10 EFCDRO O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1O)C2 ZINC001203553002 1312955276 /nfs/dbraw/zinc/95/52/76/1312955276.db2.gz XVFLDWYUHJTWHF-KSSFIOAISA-N 1 0 340.398 2.878 20 10 EFCDRO Oc1ccccc1C[N@@H+]1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001203552884 1312954104 /nfs/dbraw/zinc/95/41/04/1312954104.db2.gz UJLDLSYHHZZEOR-AYBZRNKSSA-N 1 0 326.396 2.598 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001203552599 1312954145 /nfs/dbraw/zinc/95/41/45/1312954145.db2.gz OOUWLCOPJGGPTI-VDZJLULYSA-N 1 0 340.423 2.846 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001203552129 1312954156 /nfs/dbraw/zinc/95/41/56/1312954156.db2.gz BOZDXFCVHUUGDA-FXAWDEMLSA-N 1 0 340.423 2.990 20 10 EFCDRO Oc1ccccc1C[N@@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001203551307 1312954217 /nfs/dbraw/zinc/95/42/17/1312954217.db2.gz BQYFATWVYDNYEG-WDSOQIARSA-N 1 0 326.396 2.598 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001203552483 1312954266 /nfs/dbraw/zinc/95/42/66/1312954266.db2.gz MQDZDEQIDBGBIS-LPHOPBHVSA-N 1 0 326.396 2.600 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001203552488 1312954614 /nfs/dbraw/zinc/95/46/14/1312954614.db2.gz MRMZHBSFEOALMO-MJGOQNOKSA-N 1 0 326.396 2.600 20 10 EFCDRO Oc1ccccc1C[NH+]1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC001203551478 1312954625 /nfs/dbraw/zinc/95/46/25/1312954625.db2.gz FIZLNFXUMMUPJM-GOSISDBHSA-N 1 0 340.423 2.990 20 10 EFCDRO O=C1NC[C@H](c2ccccc2)C12CC[NH+](Cc1ccccc1O)CC2 ZINC001203552990 1312954897 /nfs/dbraw/zinc/95/48/97/1312954897.db2.gz XRGWOIIUTOFJGO-GOSISDBHSA-N 1 0 336.435 2.888 20 10 EFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1)c1ccccc1F ZINC001203561355 1312956290 /nfs/dbraw/zinc/95/62/90/1312956290.db2.gz RWNDFNKAJBLOHB-OAHLLOKOSA-N 1 0 328.387 2.926 20 10 EFCDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3c(F)ccc(O)c3O)C2)cc1 ZINC000881414861 1292881295 /nfs/dbraw/zinc/88/12/95/1292881295.db2.gz PFPIDDVUGUTMAO-AWEZNQCLSA-N 1 0 344.386 2.550 20 10 EFCDRO COc1cccc(C[N@@H+]2CCCN(Cc3ccncc3)CC2)c1O ZINC001203586124 1312962935 /nfs/dbraw/zinc/96/29/35/1312962935.db2.gz YVECCLWKQVUZCL-UHFFFAOYSA-N 1 0 327.428 2.504 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c1O ZINC001203590480 1312964932 /nfs/dbraw/zinc/96/49/32/1312964932.db2.gz ZCYKVIXAKWDGSY-ZFWWWQNUSA-N 1 0 348.443 2.842 20 10 EFCDRO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccc(OC)c1O)C2 ZINC001203591298 1312965035 /nfs/dbraw/zinc/96/50/35/1312965035.db2.gz GMCURBGPHQOYCH-KXBFYZLASA-N 1 0 335.444 2.808 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)c1O ZINC001203593372 1312965228 /nfs/dbraw/zinc/96/52/28/1312965228.db2.gz LSGNGDVQSSMQBR-VQIMIIECSA-N 1 0 333.428 2.561 20 10 EFCDRO COc1cccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c1O ZINC001203590283 1312965491 /nfs/dbraw/zinc/96/54/91/1312965491.db2.gz VSVKKGQKZOXBNN-HUUCEWRRSA-N 1 0 348.443 2.842 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c1O ZINC001203591062 1312965522 /nfs/dbraw/zinc/96/55/22/1312965522.db2.gz BADNQQPSTBNQES-FXAWDEMLSA-N 1 0 347.455 2.951 20 10 EFCDRO COc1cccc(C[N@@H+]2CCCN(c3cccc(C)n3)CC2)c1O ZINC001203596412 1312966318 /nfs/dbraw/zinc/96/63/18/1312966318.db2.gz AZBURGSSKKRKII-UHFFFAOYSA-N 1 0 327.428 2.817 20 10 EFCDRO COc1cccc(C[NH+]2CCC(NC(=O)C3CCCC3)CC2)c1O ZINC001203595798 1312966414 /nfs/dbraw/zinc/96/64/14/1312966414.db2.gz NIXAEONDEYXUNR-UHFFFAOYSA-N 1 0 332.444 2.672 20 10 EFCDRO COc1cccc(O[C@@H]2CCC[N@H+](Cc3cccc(OC)c3O)C2)n1 ZINC001203601962 1312968010 /nfs/dbraw/zinc/96/80/10/1312968010.db2.gz SWHIGXBHWORPHF-OAHLLOKOSA-N 1 0 344.411 2.848 20 10 EFCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c1O ZINC001203603466 1312968143 /nfs/dbraw/zinc/96/81/43/1312968143.db2.gz QLWZEGWHVRIJEN-CVEARBPZSA-N 1 0 338.407 2.959 20 10 EFCDRO COc1cccc(C[NH+]2CCC(NC(=O)N3CCCCC3)CC2)c1O ZINC001203602061 1312968357 /nfs/dbraw/zinc/96/83/57/1312968357.db2.gz YUVBDJLHTMQZRE-UHFFFAOYSA-N 1 0 347.459 2.561 20 10 EFCDRO CCOc1cccc(C[N@H+]2Cc3cnn(CC)c3[C@H](COC)C2)c1O ZINC001203608133 1312969846 /nfs/dbraw/zinc/96/98/46/1312969846.db2.gz IYNXBYORNSKKSS-INIZCTEOSA-N 1 0 345.443 2.753 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCCN3C(C)=O)c1O ZINC001203610132 1312970022 /nfs/dbraw/zinc/97/00/22/1312970022.db2.gz WNDLBVJEXYYMMD-LJQANCHMSA-N 1 0 332.444 2.768 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)c1O ZINC001203609107 1312970053 /nfs/dbraw/zinc/97/00/53/1312970053.db2.gz ALUFRELDGWEARJ-DOTOQJQBSA-N 1 0 346.471 2.870 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@]3(CCN(CC)C3=O)C2)c1O ZINC001203610186 1312970284 /nfs/dbraw/zinc/97/02/84/1312970284.db2.gz YKQXTNFRSUCXRT-IBGZPJMESA-N 1 0 332.444 2.625 20 10 EFCDRO CCOc1cccc(C[NH+]2CCN(CCc3ccccn3)CC2)c1O ZINC001203609533 1312970439 /nfs/dbraw/zinc/97/04/39/1312970439.db2.gz XPTLBJXNGDOOKF-UHFFFAOYSA-N 1 0 341.455 2.546 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)c1O ZINC001203609110 1312970568 /nfs/dbraw/zinc/97/05/68/1312970568.db2.gz ALUFRELDGWEARJ-WBVHZDCISA-N 1 0 346.471 2.870 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)CC3=CCCCC3)cc2)CC1 ZINC000881852097 1293027871 /nfs/dbraw/zinc/02/78/71/1293027871.db2.gz WKISSTNFEWOXCF-UHFFFAOYSA-N 1 0 327.472 2.945 20 10 EFCDRO C[C@@H]1CCC[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881851600 1293027892 /nfs/dbraw/zinc/02/78/92/1293027892.db2.gz XJGDEDSGDOGMND-SJLPKXTDSA-N 1 0 329.488 2.881 20 10 EFCDRO CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852588 1293028860 /nfs/dbraw/zinc/02/88/60/1293028860.db2.gz WZXDOUZIWDXOPE-QUCCMNQESA-N 1 0 329.488 2.737 20 10 EFCDRO C[C@H]1CC[C@H](CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881850727 1293028918 /nfs/dbraw/zinc/02/89/18/1293028918.db2.gz DNIRMPLSPAISAT-WMZOPIPTSA-N 1 0 329.488 2.881 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@]3(C)CC=CCC3)cc2)CC1 ZINC000881853476 1293030889 /nfs/dbraw/zinc/03/08/89/1293030889.db2.gz XQFWLNSTFVGFAD-HXUWFJFHSA-N 1 0 327.472 2.801 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3(F)CCCCC3)cc2)CC1 ZINC000881853084 1293030956 /nfs/dbraw/zinc/03/09/56/1293030956.db2.gz IUDBXRRQXQSWBI-UHFFFAOYSA-N 1 0 333.451 2.727 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCCC3(C)C)cc2)CC1 ZINC000881854170 1293031187 /nfs/dbraw/zinc/03/11/87/1293031187.db2.gz VWZZCTXOTIWDAY-GOSISDBHSA-N 1 0 329.488 2.881 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@H](Oc3ccnc(OC)c3)C2)c1O ZINC001203617572 1312972364 /nfs/dbraw/zinc/97/23/64/1312972364.db2.gz QJFPNIGADHOPRH-INIZCTEOSA-N 1 0 344.411 2.848 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC(Oc3ncncc3C)CC2)c1O ZINC001203616986 1312972372 /nfs/dbraw/zinc/97/23/72/1312972372.db2.gz DLZPHXHIXDLCOM-UHFFFAOYSA-N 1 0 343.427 2.933 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC(NC(=O)N3CCCC3)CC2)c1O ZINC001203617334 1312972435 /nfs/dbraw/zinc/97/24/35/1312972435.db2.gz NPSBCAQXUTWNMN-UHFFFAOYSA-N 1 0 347.459 2.561 20 10 EFCDRO CCOc1cccc(CN2CCC([NH+]3CCC(OC)CC3)CC2)c1O ZINC001203617154 1312972478 /nfs/dbraw/zinc/97/24/78/1312972478.db2.gz KDRJSEZHHHTDBM-UHFFFAOYSA-N 1 0 348.487 2.866 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3ncncc3C)C2)c1O ZINC001203617702 1312972500 /nfs/dbraw/zinc/97/25/00/1312972500.db2.gz VFEGSWKBYHIOFF-OAHLLOKOSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c(O)c1 ZINC001203621880 1312973050 /nfs/dbraw/zinc/97/30/50/1312973050.db2.gz JGLLKJZTFMYQCB-ZBFHGGJFSA-N 1 0 348.443 2.842 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)c(O)c1 ZINC001203621683 1312973471 /nfs/dbraw/zinc/97/34/71/1312973471.db2.gz GNCXTYIXIDBXAR-UHFFFAOYSA-N 1 0 348.443 2.844 20 10 EFCDRO CCOCc1ncn2c1C[N@H+](Cc1ccc(OC)cc1O)CCC2 ZINC001203623126 1312974199 /nfs/dbraw/zinc/97/41/99/1312974199.db2.gz JDEKSJDYBTZWCI-UHFFFAOYSA-N 1 0 331.416 2.540 20 10 EFCDRO COC[C@H]1COCCC12CC[NH+](Cc1ccc(OC)cc1O)CC2 ZINC001203628569 1312975430 /nfs/dbraw/zinc/97/54/30/1312975430.db2.gz BSIHJMSWGAULGV-INIZCTEOSA-N 1 0 335.444 2.666 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001203629974 1312975702 /nfs/dbraw/zinc/97/57/02/1312975702.db2.gz PMDBLWBOKBUKRZ-HKUYNNGSSA-N 1 0 333.428 2.561 20 10 EFCDRO OC[C@@]1(F)CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC001203636530 1312977281 /nfs/dbraw/zinc/97/72/81/1312977281.db2.gz WHQJKVJUCBTSNB-CQSZACIVSA-N 1 0 332.213 2.841 20 10 EFCDRO Oc1c(C[N@@H+]2CCC[C@](O)(CF)CC2)cccc1OC(F)(F)F ZINC001233726258 1312978714 /nfs/dbraw/zinc/97/87/14/1312978714.db2.gz BJDMZTJJNIOTEI-CQSZACIVSA-N 1 0 337.313 2.977 20 10 EFCDRO OC[C@]1(F)CCC[N@H+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233726682 1312978792 /nfs/dbraw/zinc/97/87/92/1312978792.db2.gz FYECDIDAFUSYNX-AWEZNQCLSA-N 1 0 337.313 2.977 20 10 EFCDRO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cc(Br)ccc1O ZINC001203645797 1312979804 /nfs/dbraw/zinc/97/98/04/1312979804.db2.gz SPAHYRZBFUNKMD-FZMZJTMJSA-N 1 0 325.250 2.681 20 10 EFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC001203648273 1312979907 /nfs/dbraw/zinc/97/99/07/1312979907.db2.gz HXHVJTGFYQCBRU-LLVKDONJSA-N 1 0 342.233 2.930 20 10 EFCDRO O=C1CC[C@]2(CCC[N@@H+](Cc3cc(Br)ccc3O)C2)O1 ZINC001203649804 1312980561 /nfs/dbraw/zinc/98/05/61/1312980561.db2.gz HFZZBYMWGLDAHV-HNNXBMFYSA-N 1 0 340.217 2.826 20 10 EFCDRO O=C(NC1CC[NH+](Cc2cc(Cl)ccc2O)CC1)c1cccnc1 ZINC001203664612 1312984045 /nfs/dbraw/zinc/98/40/45/1312984045.db2.gz NDXIHAYVUJBSRC-UHFFFAOYSA-N 1 0 345.830 2.835 20 10 EFCDRO Oc1c(CN2CC[NH+](CC3CC3)CC2)cccc1OC(F)(F)F ZINC001233754215 1312984543 /nfs/dbraw/zinc/98/45/43/1312984543.db2.gz AOBSCOBKTMXQEX-UHFFFAOYSA-N 1 0 330.350 2.818 20 10 EFCDRO C[N@@H+]1C[C@H]2CCCN(Cc3cccc(OC(F)(F)F)c3O)[C@@H]2C1 ZINC001233760082 1312985144 /nfs/dbraw/zinc/98/51/44/1312985144.db2.gz BMLGLJLCETVMJT-DGCLKSJQSA-N 1 0 330.350 2.817 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)c1 ZINC001203670294 1312985467 /nfs/dbraw/zinc/98/54/67/1312985467.db2.gz MKZWYKBHISVBTQ-ZIAGYGMSSA-N 1 0 337.313 2.628 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC001203671096 1312985575 /nfs/dbraw/zinc/98/55/75/1312985575.db2.gz JEYSILMESDUMRX-RBUKOAKNSA-N 1 0 339.439 2.645 20 10 EFCDRO COc1ccc(O)c(CN2CC3(C2)CC[N@H+](Cc2cccnc2)C3)c1 ZINC001203671132 1312985755 /nfs/dbraw/zinc/98/57/55/1312985755.db2.gz KGLRUBMHBKNOTB-UHFFFAOYSA-N 1 0 339.439 2.504 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c1 ZINC001203670982 1312985767 /nfs/dbraw/zinc/98/57/67/1312985767.db2.gz HKZJWFQXWHNMOQ-HIFRSBDPSA-N 1 0 348.443 2.842 20 10 EFCDRO Oc1c(CN2CC[C@@H]([NH+]3CCCC3)C2)cccc1OC(F)(F)F ZINC001233761531 1312985975 /nfs/dbraw/zinc/98/59/75/1312985975.db2.gz VENZKFOSILESKD-CYBMUJFWSA-N 1 0 330.350 2.961 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCCn3cnc(COC(C)C)c3C2)c1 ZINC001203675106 1312986920 /nfs/dbraw/zinc/98/69/20/1312986920.db2.gz MYAZXGVVVXVTMM-UHFFFAOYSA-N 1 0 345.443 2.928 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)c1 ZINC001203675014 1312987230 /nfs/dbraw/zinc/98/72/30/1312987230.db2.gz HVCFMRHJDBSWOP-HKUYNNGSSA-N 1 0 333.428 2.561 20 10 EFCDRO C[N@H+](C1CC1)[C@@H]1CCN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233768673 1312987456 /nfs/dbraw/zinc/98/74/56/1312987456.db2.gz WPWUJJBBSJTUSA-CYBMUJFWSA-N 1 0 330.350 2.959 20 10 EFCDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3O)C[C@@H]21 ZINC001233768349 1312987751 /nfs/dbraw/zinc/98/77/51/1312987751.db2.gz PQSQMKLQLZILNU-PJXYFTJBSA-N 1 0 345.317 2.532 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)c1 ZINC001203678067 1312987988 /nfs/dbraw/zinc/98/79/88/1312987988.db2.gz HLWUNYOCPVBWEQ-UHFFFAOYSA-N 1 0 348.443 2.890 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC3(CCN(CC4CC4)C3=O)CC2)c1 ZINC001203680887 1312989085 /nfs/dbraw/zinc/98/90/85/1312989085.db2.gz IFTWHEYIASXYEM-UHFFFAOYSA-N 1 0 344.455 2.625 20 10 EFCDRO COc1ccc(O)c(C[N@H+](C)[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC001203680856 1312989239 /nfs/dbraw/zinc/98/92/39/1312989239.db2.gz HNZPBBIKNUAHAA-QLPKVWCKSA-N 1 0 348.443 2.698 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(Oc3ccnc(OC)c3)CC2)c1 ZINC001203684000 1312989392 /nfs/dbraw/zinc/98/93/92/1312989392.db2.gz IVDPDKJXDRSEHI-UHFFFAOYSA-N 1 0 344.411 2.848 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](Oc3ncncc3C)C2)c1 ZINC001203684020 1312989734 /nfs/dbraw/zinc/98/97/34/1312989734.db2.gz JRYAUEHCHSHNRS-MRXNPFEDSA-N 1 0 329.400 2.543 20 10 EFCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(OC)ccc2O)C[C@@H]1c1ccccc1 ZINC001203684529 1312989848 /nfs/dbraw/zinc/98/98/48/1312989848.db2.gz YZOGSUJAHYRFKQ-MSOLQXFVSA-N 1 0 341.407 2.789 20 10 EFCDRO COC(=O)CC[N@H+](Cc1cccc(OC(F)(F)F)c1O)C1CC1 ZINC001233776580 1312990429 /nfs/dbraw/zinc/99/04/29/1312990429.db2.gz VQKHYDOYUWLCBB-UHFFFAOYSA-N 1 0 333.306 2.818 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]1CC(C)C)cc2=O ZINC000130237945 1293344097 /nfs/dbraw/zinc/34/40/97/1293344097.db2.gz PLRXTKQJVBFYLB-AWEZNQCLSA-N 1 0 346.431 2.622 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(N)cc3[N+](=O)[O-])cc2)CC1 ZINC000882879826 1293365253 /nfs/dbraw/zinc/36/52/53/1293365253.db2.gz OMLPBKBUQQGRHO-UHFFFAOYSA-N 1 0 341.415 2.541 20 10 EFCDRO CCc1nc(C)cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000882879970 1293365613 /nfs/dbraw/zinc/36/56/13/1293365613.db2.gz WGHNISQZOKFXGZ-UHFFFAOYSA-N 1 0 325.460 2.711 20 10 EFCDRO Cc1nc2[nH]ccc2c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000882880271 1293366531 /nfs/dbraw/zinc/36/65/31/1293366531.db2.gz KVAQUTQMMKVTPY-UHFFFAOYSA-N 1 0 336.443 2.630 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3nc4ccccc4c(=O)[nH]3)cc2)CC1 ZINC000882880345 1293367345 /nfs/dbraw/zinc/36/73/45/1293367345.db2.gz NDGNVSUBEWUSRR-UHFFFAOYSA-N 1 0 349.438 2.699 20 10 EFCDRO C[S@](=O)Cc1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000883118674 1293468349 /nfs/dbraw/zinc/46/83/49/1293468349.db2.gz CDXQIIDVDXERFL-QFIPXVFZSA-N 1 0 325.380 2.839 20 10 EFCDRO [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@@H](CO)CC1CC1 ZINC000883175621 1293492782 /nfs/dbraw/zinc/49/27/82/1293492782.db2.gz LGUBSZDZAHQRCU-JTQLQIEISA-N 1 0 332.213 2.792 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC3(C)CCCC3)cc2)CC1 ZINC000883323558 1293545158 /nfs/dbraw/zinc/54/51/58/1293545158.db2.gz RXVWJXQIZQKWEN-UHFFFAOYSA-N 1 0 330.476 2.570 20 10 EFCDRO CC[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)cc(O)cc1O ZINC001273671189 1293548214 /nfs/dbraw/zinc/54/82/14/1293548214.db2.gz XVVKESCAVALKME-BFUOFWGJSA-N 1 0 348.443 2.559 20 10 EFCDRO CCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194375444 1293603808 /nfs/dbraw/zinc/60/38/08/1293603808.db2.gz QNNMCKFYPQEKFZ-HNNXBMFYSA-N 1 0 331.420 2.795 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C1=O ZINC000775633748 1293793151 /nfs/dbraw/zinc/79/31/51/1293793151.db2.gz LUQSVHVGZKVAPY-HXUWFJFHSA-N 1 0 337.467 2.952 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCN(Cc2ccccc2)C1=O ZINC000775633747 1293793465 /nfs/dbraw/zinc/79/34/65/1293793465.db2.gz LUQSVHVGZKVAPY-FQEVSTJZSA-N 1 0 337.467 2.952 20 10 EFCDRO COC(=O)CCCN1CCC([NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000775635475 1293796158 /nfs/dbraw/zinc/79/61/58/1293796158.db2.gz ZLDQPABZQQLNNZ-UHFFFAOYSA-N 1 0 347.503 2.568 20 10 EFCDRO CC[C@H](C)OC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001195136078 1293819260 /nfs/dbraw/zinc/81/92/60/1293819260.db2.gz CLXWBROYEYJSJG-INIZCTEOSA-N 1 0 349.475 2.732 20 10 EFCDRO Cc1cnc(Cl)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000884010700 1293874324 /nfs/dbraw/zinc/87/43/24/1293874324.db2.gz JMJAZOQLGFZASU-HNNXBMFYSA-N 1 0 332.835 2.539 20 10 EFCDRO CC(C)(C)OC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203875498 1313038607 /nfs/dbraw/zinc/03/86/07/1313038607.db2.gz NUHFXYZZMSERGJ-UHFFFAOYSA-N 1 0 334.416 2.541 20 10 EFCDRO CN(C[C@H]1CCC[N@@H+]1Cc1ccc(O)c(O)c1)C(=O)OC(C)(C)C ZINC001203879915 1313040178 /nfs/dbraw/zinc/04/01/78/1313040178.db2.gz GXOUJYPJVGXOTJ-CQSZACIVSA-N 1 0 336.432 2.929 20 10 EFCDRO Oc1ccc(CN2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1O ZINC001203877351 1313039090 /nfs/dbraw/zinc/03/90/90/1313039090.db2.gz DUVIRJIZKSNNHW-GASCZTMLSA-N 1 0 330.453 2.723 20 10 EFCDRO CCOC[C@H]1COCCC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203878606 1313040187 /nfs/dbraw/zinc/04/01/87/1313040187.db2.gz HYARGCLAPGXYMI-INIZCTEOSA-N 1 0 335.444 2.753 20 10 EFCDRO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203880024 1313039717 /nfs/dbraw/zinc/03/97/17/1313039717.db2.gz MCTANWFKOLARNP-XOIINTDNSA-N 1 0 348.443 2.833 20 10 EFCDRO C[N@H+](Cc1ccc(O)c(O)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203878151 1313039949 /nfs/dbraw/zinc/03/99/49/1313039949.db2.gz PXEUYDUNIHMUCJ-CQSZACIVSA-N 1 0 336.432 2.929 20 10 EFCDRO O=C1Nc2c(cccc2F)C12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203878752 1313040320 /nfs/dbraw/zinc/04/03/20/1313040320.db2.gz KUHRXHRDHQCPJP-UHFFFAOYSA-N 1 0 342.370 2.723 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001203882898 1313040775 /nfs/dbraw/zinc/04/07/75/1313040775.db2.gz WMUPDVYDNVWFQH-LSDHHAIUSA-N 1 0 348.443 2.787 20 10 EFCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)C[C@@H]1c1ccc(F)cc1 ZINC001203881723 1313040852 /nfs/dbraw/zinc/04/08/52/1313040852.db2.gz UNDXLQUMEIUCGR-CVEARBPZSA-N 1 0 345.370 2.626 20 10 EFCDRO COc1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(O)c(O)c3)C2)nc1 ZINC001203884123 1313041219 /nfs/dbraw/zinc/04/12/19/1313041219.db2.gz SPHFRAYYTUAYPB-OAHLLOKOSA-N 1 0 330.384 2.545 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCc3ccc(O)cc3CC2)cc1OC ZINC000775665643 1293976423 /nfs/dbraw/zinc/97/64/23/1293976423.db2.gz HIVZBIUKELWZEO-UHFFFAOYSA-N 1 0 329.396 2.716 20 10 EFCDRO CN(C)c1ccc(CNC(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)cc1 ZINC000884180401 1294032012 /nfs/dbraw/zinc/03/20/12/1294032012.db2.gz XPPFEYNCYJAABK-GOSISDBHSA-N 1 0 337.423 2.685 20 10 EFCDRO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000884202932 1294045679 /nfs/dbraw/zinc/04/56/79/1294045679.db2.gz LOXFVWZSYMSSNA-CRAIPNDOSA-N 1 0 347.503 2.710 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC3(CC(N4CCCC4)=NO3)CC2)cc1 ZINC001203933442 1313050715 /nfs/dbraw/zinc/05/07/15/1313050715.db2.gz LCFYXNHVTVHAKD-UHFFFAOYSA-N 1 0 342.487 2.917 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)C(=O)NC[C@H]3c2ccccc2)cc1 ZINC001203932033 1313049933 /nfs/dbraw/zinc/04/99/33/1313049933.db2.gz OVELEOHGDSBTGG-UNMCSNQZSA-N 1 0 349.478 2.858 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)C(=O)NC[C@H]3c2ccccc2)cc1 ZINC001203932032 1313050153 /nfs/dbraw/zinc/05/01/53/1313050153.db2.gz OVELEOHGDSBTGG-RBBKRZOGSA-N 1 0 349.478 2.858 20 10 EFCDRO C[NH2+][C@@H](CC(C)C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000884305116 1294089011 /nfs/dbraw/zinc/08/90/11/1294089011.db2.gz MGSGRGLUXBNCLH-SJORKVTESA-N 1 0 334.460 2.534 20 10 EFCDRO O=C(C[NH2+]Cc1ccccc1O)Nc1ccc(Br)cc1 ZINC000134229308 1294096229 /nfs/dbraw/zinc/09/62/29/1294096229.db2.gz OAVSAPGVEQHMCP-UHFFFAOYSA-N 1 0 335.201 2.883 20 10 EFCDRO Cc1cncnc1O[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203935218 1313051030 /nfs/dbraw/zinc/05/10/30/1313051030.db2.gz AJPKIKNYMPQDOH-GOSISDBHSA-N 1 0 326.444 2.894 20 10 EFCDRO COc1cccc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203937417 1313051391 /nfs/dbraw/zinc/05/13/91/1313051391.db2.gz QEULIRBNYQXJJV-KRWDZBQOSA-N 1 0 327.428 2.810 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](OCC(=O)NC(C)(C)C)C2)cc1 ZINC001203937740 1313051497 /nfs/dbraw/zinc/05/14/97/1313051497.db2.gz OENDQYYBYPDTKG-SFHVURJKSA-N 1 0 347.503 2.648 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC001203936656 1313051631 /nfs/dbraw/zinc/05/16/31/1313051631.db2.gz IYSWFAPKULONLT-NVXWUHKLSA-N 1 0 331.460 2.804 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC3(CC(=O)N(CC4CC4)C3)CC2)cc1 ZINC001203937506 1313051685 /nfs/dbraw/zinc/05/16/85/1313051685.db2.gz TVEHFQMPAAOQLW-UHFFFAOYSA-N 1 0 341.499 2.977 20 10 EFCDRO Cc1cnc(O[C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)nc1 ZINC001203936779 1313052027 /nfs/dbraw/zinc/05/20/27/1313052027.db2.gz NFUIVXLNTKXCEG-GOSISDBHSA-N 1 0 326.444 2.894 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCN(c3nccc(C)n3)CC2)cc1 ZINC001203943456 1313052185 /nfs/dbraw/zinc/05/21/85/1313052185.db2.gz CGTBNOSAHDRVIP-UHFFFAOYSA-N 1 0 339.487 2.953 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)cc1 ZINC001203945824 1313052839 /nfs/dbraw/zinc/05/28/39/1313052839.db2.gz OKDKYHCBEDHSHW-IEBWSBKVSA-N 1 0 329.488 2.976 20 10 EFCDRO CC[C@H](F)C[NH2+]C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001203999265 1313061910 /nfs/dbraw/zinc/06/19/10/1313061910.db2.gz QYYFSAHOCRVRIP-ZDUSSCGKSA-N 1 0 349.410 2.791 20 10 EFCDRO CCCC[NH2+]C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001203999942 1313062069 /nfs/dbraw/zinc/06/20/69/1313062069.db2.gz YOGOFWTYXBMDGR-UHFFFAOYSA-N 1 0 331.420 2.843 20 10 EFCDRO CC1CC[NH+](CC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000136183753 1294500840 /nfs/dbraw/zinc/50/08/40/1294500840.db2.gz HLDKWOVXBOZVMW-UHFFFAOYSA-N 1 0 347.528 2.588 20 10 EFCDRO COC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203875718 1294519139 /nfs/dbraw/zinc/51/91/39/1294519139.db2.gz SWRPOPLZMNYRIS-UHFFFAOYSA-N 1 0 334.416 2.542 20 10 EFCDRO C[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)[NH+]1CCCCCC1 ZINC000303537141 1294539278 /nfs/dbraw/zinc/53/92/78/1294539278.db2.gz IUIGBNOVTKZSIH-MRXNPFEDSA-N 1 0 329.488 2.950 20 10 EFCDRO CN(C)c1ccc(CN2CCO[C@@H](C[NH+](C)C)C2)c2ccccc21 ZINC001204236972 1313106007 /nfs/dbraw/zinc/10/60/07/1313106007.db2.gz YVSGTOBOWICHTJ-KRWDZBQOSA-N 1 0 327.472 2.668 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)c2ccccc21 ZINC001204241394 1313106492 /nfs/dbraw/zinc/10/64/92/1313106492.db2.gz GDEIULUXBONYPV-HNNXBMFYSA-N 1 0 332.469 2.525 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)c2ccccc21 ZINC001204240098 1313106511 /nfs/dbraw/zinc/10/65/11/1313106511.db2.gz IBLXRMZTWGFVML-INIZCTEOSA-N 1 0 346.496 2.915 20 10 EFCDRO CCc1ccc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)o1 ZINC000886325033 1294853012 /nfs/dbraw/zinc/85/30/12/1294853012.db2.gz QTNNEUIXYCXDSC-UHFFFAOYSA-N 1 0 341.455 2.834 20 10 EFCDRO Cc1ccoc1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886325156 1294855336 /nfs/dbraw/zinc/85/53/36/1294855336.db2.gz WVYBSQJQKMYHHV-UHFFFAOYSA-N 1 0 327.428 2.580 20 10 EFCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)o1 ZINC000886325318 1294856021 /nfs/dbraw/zinc/85/60/21/1294856021.db2.gz AXQZOMIMYMDDNH-UHFFFAOYSA-N 1 0 327.428 2.580 20 10 EFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccc(F)cc3)cc2)CC1 ZINC000886325457 1294856308 /nfs/dbraw/zinc/85/63/08/1294856308.db2.gz GNSJOIGDNQRIAN-UHFFFAOYSA-N 1 0 341.430 2.817 20 10 EFCDRO Oc1ccc(C[NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)c(O)c1 ZINC001204272481 1313112253 /nfs/dbraw/zinc/11/22/53/1313112253.db2.gz BEDPQOKZCXMZPX-KRWDZBQOSA-N 1 0 333.428 2.648 20 10 EFCDRO Oc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)c(O)c1 ZINC001204274567 1313113283 /nfs/dbraw/zinc/11/32/83/1313113283.db2.gz PBNTUHZFEWENEF-CZUORRHYSA-N 1 0 345.468 2.651 20 10 EFCDRO Oc1ccc(C[NH+]2C[C@@H]3CN(Cc4cccs4)C[C@H]3C2)c(O)c1 ZINC001204273614 1313113489 /nfs/dbraw/zinc/11/34/89/1313113489.db2.gz SCTHFJHYNARRAZ-HUUCEWRRSA-N 1 0 330.453 2.723 20 10 EFCDRO O=C1C[C@]2(CC[N@@H+](Cc3ccc(O)cc3O)C2)CN1c1ccsc1 ZINC001204275086 1313113784 /nfs/dbraw/zinc/11/37/84/1313113784.db2.gz WTCXFBPWUIKAMT-SFHVURJKSA-N 1 0 344.436 2.788 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(O)cc3O)[C@@H]2C1 ZINC001204276373 1313114355 /nfs/dbraw/zinc/11/43/55/1313114355.db2.gz LBNYNTSGHVEBSR-IUODEOHRSA-N 1 0 334.416 2.539 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(O)cc2O)C1 ZINC001204275813 1313114420 /nfs/dbraw/zinc/11/44/20/1313114420.db2.gz BXAGUXZRLNAPAW-XJKSGUPXSA-N 1 0 348.443 2.929 20 10 EFCDRO CCOc1ccc(N2CC[NH+](Cc3ccc(O)cc3O)CC2)cc1 ZINC001204277756 1313115116 /nfs/dbraw/zinc/11/51/16/1313115116.db2.gz KRNDEJUYXUDRPT-UHFFFAOYSA-N 1 0 328.412 2.819 20 10 EFCDRO Oc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)c(O)c1 ZINC001204279170 1313115129 /nfs/dbraw/zinc/11/51/29/1313115129.db2.gz SAQHEICWZPJAIB-UHFFFAOYSA-N 1 0 330.403 2.945 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(O)cc3O)C2)C1 ZINC001204277208 1313115135 /nfs/dbraw/zinc/11/51/35/1313115135.db2.gz WHYZATUIOHREJI-LJQANCHMSA-N 1 0 348.443 2.931 20 10 EFCDRO Cc1ccc2nc(C[NH2+][C@H](C)c3ccc(N(C)C)cc3)cc(=O)n2c1 ZINC000775835432 1294965089 /nfs/dbraw/zinc/96/50/89/1294965089.db2.gz YRHPPZWNVZSRQX-OAHLLOKOSA-N 1 0 336.439 2.920 20 10 EFCDRO CCOc1cccc(N2CC[NH+](Cc3ccc(O)cc3O)CC2)c1 ZINC001204281084 1313116531 /nfs/dbraw/zinc/11/65/31/1313116531.db2.gz QCTKDEOSBNMMCO-UHFFFAOYSA-N 1 0 328.412 2.819 20 10 EFCDRO C[C@H]([NH2+]CC(=O)NCCc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000775834354 1294978439 /nfs/dbraw/zinc/97/84/39/1294978439.db2.gz SHETZKPPSGPNFS-HNNXBMFYSA-N 1 0 343.446 2.901 20 10 EFCDRO COC(=O)CCN(CCC[NH+](C)C)Cc1ccc(N2CCCC2)cc1 ZINC001204327429 1313123132 /nfs/dbraw/zinc/12/31/32/1313123132.db2.gz TVALEOPTAAILAL-UHFFFAOYSA-N 1 0 347.503 2.604 20 10 EFCDRO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001204327909 1313123486 /nfs/dbraw/zinc/12/34/86/1313123486.db2.gz MLBXRMZWJSAHFY-FQEVSTJZSA-N 1 0 327.472 2.874 20 10 EFCDRO CC1=NC2(CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)C(=O)N1C ZINC001204329070 1313123566 /nfs/dbraw/zinc/12/35/66/1313123566.db2.gz DVKUERAHIZCPCO-UHFFFAOYSA-N 1 0 340.471 2.512 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C(C)=O)C2)c1O ZINC001204339448 1313125117 /nfs/dbraw/zinc/12/51/17/1313125117.db2.gz JIANFFPIZZJJHN-LLVKDONJSA-N 1 0 342.233 2.964 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c1O ZINC001204337428 1313125172 /nfs/dbraw/zinc/12/51/72/1313125172.db2.gz HOAVPZHUZCIMNG-YGRLFVJLSA-N 1 0 342.233 2.774 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)c1O ZINC001204336481 1313125259 /nfs/dbraw/zinc/12/52/59/1313125259.db2.gz SERIKNMFNUBTMW-CABZTGNLSA-N 1 0 330.222 2.509 20 10 EFCDRO C[C@H]([NH2+][C@@H](CO)C[C@@H]1CCCO1)c1ccc(Br)cc1O ZINC000886670399 1295100260 /nfs/dbraw/zinc/10/02/60/1295100260.db2.gz OCNYWKBPOCIAFA-UHTWSYAYSA-N 1 0 344.249 2.735 20 10 EFCDRO COc1cc(CN2CCC([NH+]3CCC(F)CC3)CC2)cc(O)c1O ZINC001204346542 1313127185 /nfs/dbraw/zinc/12/71/85/1313127185.db2.gz UPBOKUVOBHKSNP-UHFFFAOYSA-N 1 0 338.423 2.505 20 10 EFCDRO COc1cc(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cc(O)c1O ZINC001204349852 1313127363 /nfs/dbraw/zinc/12/73/63/1313127363.db2.gz COJXPDGZDXWASD-HOTGVXAUSA-N 1 0 340.423 2.675 20 10 EFCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2cc(O)c(O)c(OC)c2)C[C@H]1C ZINC001204350741 1313127562 /nfs/dbraw/zinc/12/75/62/1313127562.db2.gz IHNSEDIFPCBCRB-TZMCWYRMSA-N 1 0 337.416 2.518 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@@H](O)CC2)c1O ZINC001204336486 1313124911 /nfs/dbraw/zinc/12/49/11/1313124911.db2.gz SIAOTSAJHVZTIO-MFKMUULPSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@]4(CCNC4=O)C3)c2c1 ZINC001234536465 1313149820 /nfs/dbraw/zinc/14/98/20/1313149820.db2.gz PASKVEGXMSCTGH-HXUWFJFHSA-N 1 0 340.423 2.656 20 10 EFCDRO CN1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(C(C)(C)C)ccc3O)C2)C1=O ZINC001274121459 1295481542 /nfs/dbraw/zinc/48/15/42/1295481542.db2.gz LJHUNADWQJHNLN-HXUWFJFHSA-N 1 0 344.455 2.661 20 10 EFCDRO CN1C(=O)C[C@]2(CCC[N@H+](Cc3cc(C(C)(C)C)ccc3O)C2)C1=O ZINC001274121458 1295482053 /nfs/dbraw/zinc/48/20/53/1295482053.db2.gz LJHUNADWQJHNLN-FQEVSTJZSA-N 1 0 344.455 2.661 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](N(C)C(C)=O)C3)c2c1 ZINC001234569944 1313160515 /nfs/dbraw/zinc/16/05/15/1313160515.db2.gz UYTQQJNOSNCIJS-HNNXBMFYSA-N 1 0 328.412 2.607 20 10 EFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C)c2O)[C@H]1OC ZINC000775978389 1295539435 /nfs/dbraw/zinc/53/94/35/1295539435.db2.gz KRTQOXIAAVSCES-UMVBOHGHSA-N 1 0 344.249 2.745 20 10 EFCDRO Oc1ccccc1C[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)Cc1ccco1 ZINC000775981430 1295552841 /nfs/dbraw/zinc/55/28/41/1295552841.db2.gz AJAJPBIVELZQIP-KDURUIRLSA-N 1 0 342.439 2.851 20 10 EFCDRO CS[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H]1[NH+](C)C ZINC000776001397 1295647732 /nfs/dbraw/zinc/64/77/32/1295647732.db2.gz PBJAPUOREJLUTG-HUUCEWRRSA-N 1 0 342.892 2.726 20 10 EFCDRO CCO[C@@H](C)C(=O)N1CCC(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001204595642 1313171545 /nfs/dbraw/zinc/17/15/45/1313171545.db2.gz HODPSDJSXVWGCO-INIZCTEOSA-N 1 0 348.487 2.757 20 10 EFCDRO CC[NH+]1CCN(c2ccc(OC3CCC4(CC3)OCCO4)cc2)CC1 ZINC001234657437 1313178779 /nfs/dbraw/zinc/17/87/79/1313178779.db2.gz DDDJVTVNJRCSQX-UHFFFAOYSA-N 1 0 346.471 2.893 20 10 EFCDRO CCCCOC(=O)[C@@H](C)Oc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001234657578 1313178814 /nfs/dbraw/zinc/17/88/14/1313178814.db2.gz FFDWDJVFRLUEFI-MRXNPFEDSA-N 1 0 334.460 2.939 20 10 EFCDRO CCC[C@@H](CC(=O)OC)Oc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001234658247 1313179146 /nfs/dbraw/zinc/17/91/46/1313179146.db2.gz YMXAXXMFWCOFHB-SFHVURJKSA-N 1 0 334.460 2.939 20 10 EFCDRO CC[NH+]1CCN(c2ccc(O[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC001234657822 1313179264 /nfs/dbraw/zinc/17/92/64/1313179264.db2.gz JETJYEVYHTYIOF-RUYXUALKSA-N 1 0 329.488 2.833 20 10 EFCDRO CC(C)C(C)(C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889661282 1295792413 /nfs/dbraw/zinc/79/24/13/1295792413.db2.gz WANLXYNCPHMNDC-UHFFFAOYSA-N 1 0 332.492 2.672 20 10 EFCDRO C[C@@H]1[C@@H](C)CCCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889669853 1295794536 /nfs/dbraw/zinc/79/45/36/1295794536.db2.gz UIWUUCHFJBTJRB-DLBZAZTESA-N 1 0 344.503 2.768 20 10 EFCDRO C[C@H]1CCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000889669398 1295795167 /nfs/dbraw/zinc/79/51/67/1295795167.db2.gz INQSVJBOEFZMBC-KRWDZBQOSA-N 1 0 344.503 2.770 20 10 EFCDRO Cc1cc(C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(C)n1-c1ccccc1 ZINC001276362911 1295877277 /nfs/dbraw/zinc/87/72/77/1295877277.db2.gz NVWIQZNHZKVXDU-PMACEKPBSA-N 1 0 325.456 2.609 20 10 EFCDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000305112868 1295913005 /nfs/dbraw/zinc/91/30/05/1295913005.db2.gz DOUDMBIQHLNYHQ-YQQAZPJKSA-N 1 0 336.451 2.864 20 10 EFCDRO Cc1cccc([C@H](O)C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000305144828 1295944012 /nfs/dbraw/zinc/94/40/12/1295944012.db2.gz NEJHDVQIJLBMPS-HXUWFJFHSA-N 1 0 344.430 2.794 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[C@@](C)([NH3+])C2)c2ccccc2n1C ZINC001204946300 1313214218 /nfs/dbraw/zinc/21/42/18/1313214218.db2.gz MZSTVILWAUYAHQ-LJQANCHMSA-N 1 0 329.444 2.668 20 10 EFCDRO C[NH+](C)C[C@H]1CN(Cc2cccc(-c3ccccc3)c2O)CCO1 ZINC001234997767 1313219384 /nfs/dbraw/zinc/21/93/84/1313219384.db2.gz DYHIUWGABOUIKH-SFHVURJKSA-N 1 0 326.440 2.822 20 10 EFCDRO COC(=O)[C@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2O)CCCO1 ZINC001234998895 1313219519 /nfs/dbraw/zinc/21/95/19/1313219519.db2.gz PIBQBDLEOQSSEH-GOSISDBHSA-N 1 0 341.407 2.823 20 10 EFCDRO COC(=O)c1c(CN2CCC[C@@]3(CC[NH2+]C3)C2)c2ccccc2n1C ZINC001234998349 1313219581 /nfs/dbraw/zinc/21/95/81/1313219581.db2.gz HXUCVZAPKLZMFO-FQEVSTJZSA-N 1 0 341.455 2.540 20 10 EFCDRO O=C1NCC2(CC[NH+](Cc3cccc(-c4ccccc4)c3O)CC2)N1 ZINC001234998730 1313219803 /nfs/dbraw/zinc/21/98/03/1313219803.db2.gz NHWMTWKLWFPZSB-UHFFFAOYSA-N 1 0 337.423 2.707 20 10 EFCDRO CN(C)c1ccc(CN2CCOC[C@]3(CCC[NH2+]C3)C2)c(Cl)c1 ZINC001235009847 1313223212 /nfs/dbraw/zinc/22/32/12/1313223212.db2.gz ZNTXOVRJMMZBSU-SFHVURJKSA-N 1 0 337.895 2.608 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H](C)OC)cc1C ZINC000959908683 1296223199 /nfs/dbraw/zinc/22/31/99/1296223199.db2.gz IXTNKCXSRAKYTD-WBVHZDCISA-N 1 0 334.460 2.509 20 10 EFCDRO CC[C@@H](OC)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000959917884 1296236360 /nfs/dbraw/zinc/23/63/60/1296236360.db2.gz YHGDPFBECUXXEY-ZWKOTPCHSA-N 1 0 348.487 2.899 20 10 EFCDRO CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001037276479 1296314658 /nfs/dbraw/zinc/31/46/58/1296314658.db2.gz HEYWKSLLHYXREX-HIFRSBDPSA-N 1 0 331.420 2.747 20 10 EFCDRO Oc1ccc(Br)cc1CN1CCCC[C@]12CC[NH2+]C2 ZINC001235124228 1313247861 /nfs/dbraw/zinc/24/78/61/1313247861.db2.gz LAGIBPWFWSBRFA-OAHLLOKOSA-N 1 0 325.250 2.873 20 10 EFCDRO Cn1c(=O)cc(-c2ccc(OCCC[NH+](C)C)nc2)c2ccccc21 ZINC001205255244 1313260241 /nfs/dbraw/zinc/26/02/41/1313260241.db2.gz DECQGDYZDSXNOR-UHFFFAOYSA-N 1 0 337.423 2.931 20 10 EFCDRO Cc1cc(O)c(CN2C[C@H]3CCC[NH2+][C@H]3C2)cc1Br ZINC001235215018 1313265996 /nfs/dbraw/zinc/26/59/96/1313265996.db2.gz FYDYAJSPHCICQS-RISCZKNCSA-N 1 0 325.250 2.647 20 10 EFCDRO Cc1ncsc1CN1CC2(C1)C[NH+](Cc1cccc(C)c1O)C2 ZINC001276080896 1296595335 /nfs/dbraw/zinc/59/53/35/1296595335.db2.gz XNYBEVBJCGIBTO-UHFFFAOYSA-N 1 0 329.469 2.783 20 10 EFCDRO COc1cc(O)c(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)cc1OC ZINC000776173903 1296812218 /nfs/dbraw/zinc/81/22/18/1296812218.db2.gz DAHZOYRVCBEIIV-UHFFFAOYSA-N 1 0 344.411 2.916 20 10 EFCDRO Oc1ccc(C(F)(F)F)cc1CN1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235401073 1313312378 /nfs/dbraw/zinc/31/23/78/1313312378.db2.gz GIANMBDTSKOFGX-LSDHHAIUSA-N 1 0 332.341 2.935 20 10 EFCDRO CN(C)c1ccc(CN2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c(Cl)c1 ZINC001235401452 1313312801 /nfs/dbraw/zinc/31/28/01/1313312801.db2.gz GQPWDPAYSFWQNH-IRXDYDNUSA-N 1 0 325.859 2.930 20 10 EFCDRO CCCCN(CCCC)c1ccc(CN2CC[NH2+]C[C@@H]2CO)c(O)c1 ZINC001235444875 1313324052 /nfs/dbraw/zinc/32/40/52/1313324052.db2.gz OZMMOBIXKOSRQB-LJQANCHMSA-N 1 0 349.519 2.565 20 10 EFCDRO CCOC(=O)c1c(CN2CC[NH2+]C[C@H]2C(C)C)c2ccccc2n1C ZINC001235458265 1313327744 /nfs/dbraw/zinc/32/77/44/1313327744.db2.gz NRSRPTGVDXODBX-SFHVURJKSA-N 1 0 343.471 2.785 20 10 EFCDRO C[C@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1cc(F)ccc1O ZINC000926907384 1296973943 /nfs/dbraw/zinc/97/39/43/1296973943.db2.gz HTCUDJKGMORQBX-LBPRGKRZSA-N 1 0 337.416 2.828 20 10 EFCDRO C[C@@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1cc(F)ccc1O ZINC000926907383 1296974275 /nfs/dbraw/zinc/97/42/75/1296974275.db2.gz HTCUDJKGMORQBX-GFCCVEGCSA-N 1 0 337.416 2.828 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@]4(CCN(C)C4=O)C3)c2c1 ZINC001273904717 1297066344 /nfs/dbraw/zinc/06/63/44/1297066344.db2.gz JMWWFAIXYKDPGF-FQEVSTJZSA-N 1 0 340.423 2.608 20 10 EFCDRO CCN(CC)c1ccc(CN2CCC(F)(F)[C@@H](C[NH3+])C2)c(OC)c1 ZINC001205770771 1313353271 /nfs/dbraw/zinc/35/32/71/1313353271.db2.gz NYVJFOMKTQWAQK-HNNXBMFYSA-N 1 0 341.446 2.957 20 10 EFCDRO CC(C)[NH+]1CCC2(C[C@@H]2C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC001273924107 1297208973 /nfs/dbraw/zinc/20/89/73/1297208973.db2.gz GJGJUZWZHLXYAM-GOSISDBHSA-N 1 0 329.488 2.879 20 10 EFCDRO Oc1ccccc1CN(Cc1noc2c1COCC2)C[C@@H]1CCCO1 ZINC000929969740 1297219227 /nfs/dbraw/zinc/21/92/27/1297219227.db2.gz CNHOVXWAZUDVEQ-HNNXBMFYSA-N 1 0 344.411 2.634 20 10 EFCDRO C[C@@H](NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000776245039 1297221373 /nfs/dbraw/zinc/22/13/73/1297221373.db2.gz HEDXREGZXQGAFO-CVEARBPZSA-N 1 0 332.492 2.797 20 10 EFCDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000776244819 1297222389 /nfs/dbraw/zinc/22/23/89/1297222389.db2.gz GCFORSXOKVURTE-NVXWUHKLSA-N 1 0 332.492 2.986 20 10 EFCDRO C[C@H](NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000776242602 1297242794 /nfs/dbraw/zinc/24/27/94/1297242794.db2.gz AAYDCSWTYWUNIR-IEZWGBDMSA-N 1 0 344.503 2.939 20 10 EFCDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001205819382 1313361163 /nfs/dbraw/zinc/36/11/63/1313361163.db2.gz XLKXNWKXHSLGLM-PBHICJAKSA-N 1 0 329.488 2.650 20 10 EFCDRO C[C@H]1CC[C@H](C[NH3+])N(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001205840921 1313364677 /nfs/dbraw/zinc/36/46/77/1313364677.db2.gz ITYCEDWZVQQAOL-GOEBONIOSA-N 1 0 337.895 2.736 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@H](C)CC[C@@H]2C[NH3+])c2ccccc2n1C ZINC001205842590 1313364737 /nfs/dbraw/zinc/36/47/37/1313364737.db2.gz OFYOWBYCRQUPGJ-HUUCEWRRSA-N 1 0 343.471 2.914 20 10 EFCDRO CC(C)(C)c1ccc(C[NH+]2CCC3(CC2)CC(=O)NC(=O)C3)c(O)c1 ZINC001235677503 1313372690 /nfs/dbraw/zinc/37/26/90/1313372690.db2.gz FCROFZDXBBVIRE-UHFFFAOYSA-N 1 0 344.455 2.709 20 10 EFCDRO CC(C)(C)c1ccc(C[NH+]2CCN(c3cncnc3)CC2)c(O)c1 ZINC001235680398 1313373035 /nfs/dbraw/zinc/37/30/35/1313373035.db2.gz UQAOJPWPHQXELB-UHFFFAOYSA-N 1 0 326.444 2.802 20 10 EFCDRO CC(C)(C)c1ccc(CN2CCO[C@@H](C[NH+]3CCCC3)C2)c(O)c1 ZINC001235682560 1313374219 /nfs/dbraw/zinc/37/42/19/1313374219.db2.gz YRBQAJGSCVIKEK-SFHVURJKSA-N 1 0 332.488 2.986 20 10 EFCDRO CN1CCOc2cc(CN3CC[NH2+]C[C@@H]3Cc3ccccc3)ccc21 ZINC001235849024 1313409182 /nfs/dbraw/zinc/40/91/82/1313409182.db2.gz GHMFVPVOIUMRJD-IBGZPJMESA-N 1 0 337.467 2.532 20 10 EFCDRO CN1CCOc2cc(CN3CC[NH2+]C[C@H]3Cc3ccccc3)ccc21 ZINC001235849025 1313409233 /nfs/dbraw/zinc/40/92/33/1313409233.db2.gz GHMFVPVOIUMRJD-LJQANCHMSA-N 1 0 337.467 2.532 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCNC[C@H]2Cc2ccccc2)c(O)c1 ZINC001235855563 1313410631 /nfs/dbraw/zinc/41/06/31/1313410631.db2.gz QQDYVZNECVOZLZ-QGZVFWFLSA-N 1 0 326.440 2.726 20 10 EFCDRO Cc1cc(Br)cc(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206197394 1313419701 /nfs/dbraw/zinc/41/97/01/1313419701.db2.gz IFOVUMCCGCGJBP-QWHCGFSZSA-N 1 0 331.229 2.724 20 10 EFCDRO Cc1cc(Br)cc(CN2CC[C@@H]([NH3+])[C@H](F)CC2)c1O ZINC001206197392 1313419875 /nfs/dbraw/zinc/41/98/75/1313419875.db2.gz IFOVUMCCGCGJBP-CHWSQXEVSA-N 1 0 331.229 2.724 20 10 EFCDRO CCN(Cc1cc(OC)c(Br)cc1O)[C@H]1CCC[NH2+]C1 ZINC001236008161 1313430493 /nfs/dbraw/zinc/43/04/93/1313430493.db2.gz FADYYIJTRCWTAL-LBPRGKRZSA-N 1 0 343.265 2.737 20 10 EFCDRO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001206243912 1313425163 /nfs/dbraw/zinc/42/51/63/1313425163.db2.gz HKBHRAAYPMSUNM-NSHDSACASA-N 1 0 328.256 2.877 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@H](C)C[C@@H]([NH3+])C2)c2ccccc2n1C ZINC001236050786 1313434602 /nfs/dbraw/zinc/43/46/02/1313434602.db2.gz IYMUQQOKOMDATD-ZIAGYGMSSA-N 1 0 329.444 2.524 20 10 EFCDRO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)c(O)cc1Br ZINC001236059930 1313435490 /nfs/dbraw/zinc/43/54/90/1313435490.db2.gz KFIIJDUHPFFUDD-AAEUAGOBSA-N 1 0 325.250 2.647 20 10 EFCDRO CN1CCOc2cc(CN3CC[NH2+]C[C@H]3c3cccs3)ccc21 ZINC001236117215 1313442922 /nfs/dbraw/zinc/44/29/22/1313442922.db2.gz TWFZSCHWINHHLY-INIZCTEOSA-N 1 0 329.469 2.723 20 10 EFCDRO COc1c[nH+]ccc1Nc1ccc(I)cc1O ZINC001211264024 1314465562 /nfs/dbraw/zinc/46/55/62/1314465562.db2.gz STJZFRNHZDAWAW-UHFFFAOYSA-N 1 0 342.136 2.566 20 10 EFCDRO C[NH+](C)CCCn1cc(-c2ccn(Cc3ccccc3)c(=O)c2)cn1 ZINC001236155560 1313448423 /nfs/dbraw/zinc/44/84/23/1313448423.db2.gz CQYSMRIPIGIJGK-UHFFFAOYSA-N 1 0 336.439 2.712 20 10 EFCDRO C[N@H+](Cc1cc(Br)cc(F)c1[O-])[C@@H]1CCCC[C@H]1[NH3+] ZINC001236212951 1313456585 /nfs/dbraw/zinc/45/65/85/1313456585.db2.gz ANJBFNPYPJRPRK-CHWSQXEVSA-N 1 0 331.229 2.996 20 10 EFCDRO [NH3+][C@H]1C[C@@H](F)CN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001206435083 1313453105 /nfs/dbraw/zinc/45/31/05/1313453105.db2.gz JPSOPAFLBLMRAK-SJORKVTESA-N 1 0 330.403 2.842 20 10 EFCDRO CN(Cc1ccc(OCC(F)(F)F)cc1O)[C@]1(C)CCC[NH2+]C1 ZINC001236205593 1313455279 /nfs/dbraw/zinc/45/52/79/1313455279.db2.gz IDGZRERUEBGUBH-OAHLLOKOSA-N 1 0 332.366 2.907 20 10 EFCDRO COc1cc(O)c(CN(C)[C@]2(C)CCC[NH2+]C2)cc1Br ZINC001236207598 1313455610 /nfs/dbraw/zinc/45/56/10/1313455610.db2.gz RDELFONZQCRJHY-OAHLLOKOSA-N 1 0 343.265 2.737 20 10 EFCDRO COc1cc(O)c(CN(C)[C@]2(C)CCC[NH2+]C2)c(Br)c1 ZINC001236209207 1313456053 /nfs/dbraw/zinc/45/60/53/1313456053.db2.gz ZILQSXPCEAEAOH-OAHLLOKOSA-N 1 0 343.265 2.737 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[C@@H]1O ZINC000779199943 1298051017 /nfs/dbraw/zinc/05/10/17/1298051017.db2.gz NHJXGVSTABDHFM-KSSFIOAISA-N 1 0 333.432 2.788 20 10 EFCDRO Oc1ccc2cc(Br)ccc2c1CN1C[C@H]2C[NH2+][C@H]2C1 ZINC001236286350 1313465348 /nfs/dbraw/zinc/46/53/48/1313465348.db2.gz MWMJSUYRXGNHGI-ABAIWWIYSA-N 1 0 333.229 2.712 20 10 EFCDRO CN(Cc1ccc(N2CCOCC2)cc1Cl)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218954 1313457170 /nfs/dbraw/zinc/45/71/70/1313457170.db2.gz TYMIXNPSVPIFBC-QZTJIDSGSA-N 1 0 337.895 2.878 20 10 EFCDRO CN(Cc1ccc(N2CCOCC2)cc1Cl)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218953 1313457525 /nfs/dbraw/zinc/45/75/25/1313457525.db2.gz TYMIXNPSVPIFBC-MSOLQXFVSA-N 1 0 337.895 2.878 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236224591 1313458001 /nfs/dbraw/zinc/45/80/01/1313458001.db2.gz VYSCPDQLRKUYIA-KRWDZBQOSA-N 1 0 349.906 2.893 20 10 EFCDRO Oc1ccc(Br)cc1CN(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236236200 1313458918 /nfs/dbraw/zinc/45/89/18/1313458918.db2.gz IHERTIILQKELQN-AWEZNQCLSA-N 1 0 325.250 2.871 20 10 EFCDRO Cc1cccn2cc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)nc12 ZINC000076895254 1298080525 /nfs/dbraw/zinc/08/05/25/1298080525.db2.gz CWBUITQWLRAIOG-UHFFFAOYSA-N 1 0 336.439 2.769 20 10 EFCDRO Oc1ccc2cc(Br)ccc2c1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236297843 1313466907 /nfs/dbraw/zinc/46/69/07/1313466907.db2.gz TXASWUSUIVLEJI-IAQYHMDHSA-N 1 0 333.229 2.712 20 10 EFCDRO Cc1cc(Br)c([O-])c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321251 1313469008 /nfs/dbraw/zinc/46/90/08/1313469008.db2.gz OWAFEYTZRSIWPJ-BETUJISGSA-N 1 0 339.277 2.895 20 10 EFCDRO COCCN(Cc1c(O)ccc(Cl)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC001236326913 1313469972 /nfs/dbraw/zinc/46/99/72/1313469972.db2.gz CSDXNMKIZYDVNJ-LLVKDONJSA-N 1 0 333.259 2.899 20 10 EFCDRO COCCN(Cc1cc(C(F)(F)F)ccc1O)[C@@H]1CCC[NH2+]C1 ZINC001236328001 1313470397 /nfs/dbraw/zinc/47/03/97/1313470397.db2.gz HJSFYWNKGGFAHF-CQSZACIVSA-N 1 0 332.366 2.611 20 10 EFCDRO CCCCN(CCCC)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206535293 1313472607 /nfs/dbraw/zinc/47/26/07/1313472607.db2.gz IKEVISAPPXZIQJ-PXNSSMCTSA-N 1 0 349.519 2.550 20 10 EFCDRO Oc1ccc(CN(Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)cc1O ZINC001236388175 1313475219 /nfs/dbraw/zinc/47/52/19/1313475219.db2.gz KEGVDAYCYJUBQX-KRWDZBQOSA-N 1 0 330.403 2.991 20 10 EFCDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000077805337 1298213227 /nfs/dbraw/zinc/21/32/27/1298213227.db2.gz PBNIHKSOJOCXGM-QGZVFWFLSA-N 1 0 344.503 2.960 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[C@@H]([NH3+])[C@@H]2C)c2ccccc2n1C ZINC001236419883 1313478600 /nfs/dbraw/zinc/47/86/00/1313478600.db2.gz MEEJXDDSWARGJR-XJKSGUPXSA-N 1 0 329.444 2.667 20 10 EFCDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000079296643 1298370783 /nfs/dbraw/zinc/37/07/83/1298370783.db2.gz MDRVSQCTPIYJTJ-INIZCTEOSA-N 1 0 332.492 2.768 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)c(O)cc1Br ZINC001236744706 1313520944 /nfs/dbraw/zinc/52/09/44/1313520944.db2.gz BVXCVOZGGQVSLO-GXFFZTMASA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(C[N@H+]2CCC[C@@H](OC)C2)c(O)cc1Br ZINC001236746303 1313521264 /nfs/dbraw/zinc/52/12/64/1313521264.db2.gz XCHQSCFYHJFRLG-LLVKDONJSA-N 1 0 330.222 2.774 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@H](CCO)C2)c(O)cc1Br ZINC001236753546 1313522262 /nfs/dbraw/zinc/52/22/62/1313522262.db2.gz PNEWECMQZFROIY-NSHDSACASA-N 1 0 344.249 2.758 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)CCCC(=O)c2cccnc2)cc1OC ZINC001236752828 1313522394 /nfs/dbraw/zinc/52/23/94/1313522394.db2.gz WGDLYNGWPUMANF-UHFFFAOYSA-N 1 0 344.411 2.899 20 10 EFCDRO CCC[NH+]1CCN(Cc2cc(OC)c(Br)cc2O)CC1 ZINC001236754240 1313522436 /nfs/dbraw/zinc/52/24/36/1313522436.db2.gz STBSHBCGSBDIRI-UHFFFAOYSA-N 1 0 343.265 2.691 20 10 EFCDRO COc1cc(O)c(CN2CCCC[C@@H]2C[NH+]2CCCC2)cc1OC ZINC001236756741 1313522724 /nfs/dbraw/zinc/52/27/24/1313522724.db2.gz RPVSYZYJMGXQHI-MRXNPFEDSA-N 1 0 334.460 2.860 20 10 EFCDRO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001236757811 1313522927 /nfs/dbraw/zinc/52/29/27/1313522927.db2.gz PPRMVGUKKNFDRP-GOSISDBHSA-N 1 0 337.416 2.575 20 10 EFCDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(O)cc(OC)cc1Cl)C2 ZINC001236807473 1313533450 /nfs/dbraw/zinc/53/34/50/1313533450.db2.gz GYVJYIMPTSDWLD-SRVKXCTJSA-N 1 0 339.819 2.828 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2cc(O)c(Br)cc2O)CCC[C@@]1(C)O ZINC001236769575 1313525273 /nfs/dbraw/zinc/52/52/73/1313525273.db2.gz WEMWSPVQWOXAHA-MEBBXXQBSA-N 1 0 344.249 2.843 20 10 EFCDRO OC[C@]1(F)CCC[N@H+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001236769516 1313525366 /nfs/dbraw/zinc/52/53/66/1313525366.db2.gz VSQIUNVPENFFIZ-AWEZNQCLSA-N 1 0 348.212 2.547 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3cnccn3)C2)c(Cl)c1 ZINC001236806651 1313533476 /nfs/dbraw/zinc/53/34/76/1313533476.db2.gz YNLXQHLRRQQXEY-LBPRGKRZSA-N 1 0 349.818 2.888 20 10 EFCDRO CCc1ccc(CN2CCn3cc(C[NH+]4CCCC4)nc3C2)c(O)c1 ZINC001236788079 1313529243 /nfs/dbraw/zinc/52/92/43/1313529243.db2.gz QMSOOWZGHGZYGT-UHFFFAOYSA-N 1 0 340.471 2.763 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2ccc(CC)cc2O)Cc2cn(C)nc21 ZINC001236788225 1313529287 /nfs/dbraw/zinc/52/92/87/1313529287.db2.gz ZKHACFLMYJORBC-QGZVFWFLSA-N 1 0 329.444 2.824 20 10 EFCDRO CCc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccnc3)C2)c(O)c1 ZINC001236788749 1313529357 /nfs/dbraw/zinc/52/93/57/1313529357.db2.gz QALMEKQLUZRBEZ-GOSISDBHSA-N 1 0 339.439 2.744 20 10 EFCDRO CCc1ccc(C[NH+]2CCN(c3ccnc(OC)c3)CC2)c(O)c1 ZINC001236788810 1313529589 /nfs/dbraw/zinc/52/95/89/1313529589.db2.gz QUEORPCTRGALNO-UHFFFAOYSA-N 1 0 327.428 2.680 20 10 EFCDRO CCc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)c(O)c1 ZINC001236790767 1313529596 /nfs/dbraw/zinc/52/95/96/1313529596.db2.gz XVTSHAXDRXXARL-DOTOQJQBSA-N 1 0 340.423 2.894 20 10 EFCDRO CCc1ccc(C[NH+]2CCC(NC(=O)N(CC)CC)CC2)c(O)c1 ZINC001236787856 1313529645 /nfs/dbraw/zinc/52/96/45/1313529645.db2.gz LPQMCCVFXYNEKP-UHFFFAOYSA-N 1 0 333.476 2.970 20 10 EFCDRO CCc1ccc(C[NH+]2CCN(CCc3ccncc3)CC2)c(O)c1 ZINC001236789800 1313529662 /nfs/dbraw/zinc/52/96/62/1313529662.db2.gz RVGLZNRVVMNCTB-UHFFFAOYSA-N 1 0 325.456 2.710 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC3(CCCC(=O)N3)CC2)c(Cl)c1 ZINC001236796552 1313529904 /nfs/dbraw/zinc/52/99/04/1313529904.db2.gz GXDYBNMABVIXFI-UHFFFAOYSA-N 1 0 338.835 2.689 20 10 EFCDRO CCc1ccc(C[NH+]2CCN(c3nccc(Cl)n3)CC2)c(O)c1 ZINC001236795659 1313529951 /nfs/dbraw/zinc/52/99/51/1313529951.db2.gz XXSRRYVAELNGBJ-UHFFFAOYSA-N 1 0 332.835 2.720 20 10 EFCDRO CC(=O)N1CCC2(CN(Cc3cc(Cl)c(Cl)cc3O)C2)C1 ZINC001236792952 1313530468 /nfs/dbraw/zinc/53/04/68/1313530468.db2.gz KJMRAJTVAGMYGN-UHFFFAOYSA-N 1 0 329.227 2.753 20 10 EFCDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236799630 1313531353 /nfs/dbraw/zinc/53/13/53/1313531353.db2.gz TXURUIVHFWELLA-GHMZBOCLSA-N 1 0 327.808 2.828 20 10 EFCDRO COCCCC[NH+]1CCN(Cc2c(O)cc(OC)cc2Cl)CC1 ZINC001236806184 1313533300 /nfs/dbraw/zinc/53/33/00/1313533300.db2.gz PPBMPDFDTBETHE-UHFFFAOYSA-N 1 0 342.867 2.598 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)c(O)c1 ZINC001236807572 1313533304 /nfs/dbraw/zinc/53/33/04/1313533304.db2.gz FRDNZMLBLYBOMH-ROUUACIJSA-N 1 0 344.455 2.685 20 10 EFCDRO CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2c(C)cc(OC)cc2O)CC1 ZINC001236810457 1313533891 /nfs/dbraw/zinc/53/38/91/1313533891.db2.gz HGOASEBJPIJWNT-KRWDZBQOSA-N 1 0 348.487 2.784 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)c(O)c1 ZINC001236811693 1313534981 /nfs/dbraw/zinc/53/49/81/1313534981.db2.gz RONFUYKCFSMNNB-MAUKXSAKSA-N 1 0 346.471 2.788 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1 ZINC001236812473 1313535002 /nfs/dbraw/zinc/53/50/02/1313535002.db2.gz AJCAVCQZCGVOQO-CZUORRHYSA-N 1 0 348.443 2.760 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCC(NC(=O)C3CCCC3)CC2)c(O)c1 ZINC001236812190 1313535140 /nfs/dbraw/zinc/53/51/40/1313535140.db2.gz ADWNEQRNZAWNKW-UHFFFAOYSA-N 1 0 346.471 2.980 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CCCCN3C(C)=O)c(O)c1 ZINC001236812861 1313535327 /nfs/dbraw/zinc/53/53/27/1313535327.db2.gz FXGSUISCXYPUMG-LJQANCHMSA-N 1 0 332.444 2.686 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](Oc3cccc(OC)n3)C2)c(O)c1 ZINC001236815777 1313535530 /nfs/dbraw/zinc/53/55/30/1313535530.db2.gz ORVBJVOJFVAUFY-CQSZACIVSA-N 1 0 344.411 2.766 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](Oc3ncccn3)C2)c(O)c1 ZINC001236816399 1313535736 /nfs/dbraw/zinc/53/57/36/1313535736.db2.gz UGUIVHKHQDXZRO-AWEZNQCLSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCC(Oc3ncncc3C)CC2)c(O)c1 ZINC001236816905 1313536083 /nfs/dbraw/zinc/53/60/83/1313536083.db2.gz YFNOPFPLYBXFGU-UHFFFAOYSA-N 1 0 343.427 2.851 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCN(c3ncccc3C)CC2)c(O)c1 ZINC001236818646 1313536937 /nfs/dbraw/zinc/53/69/37/1313536937.db2.gz PZHLOHACGDQIHW-UHFFFAOYSA-N 1 0 327.428 2.735 20 10 EFCDRO Oc1cc2ccccc2cc1C[N@@H+]1CCOC[C@](O)(C(F)(F)F)C1 ZINC001236827202 1313537237 /nfs/dbraw/zinc/53/72/37/1313537237.db2.gz RATUHPGONMWJMN-INIZCTEOSA-N 1 0 341.329 2.671 20 10 EFCDRO COc1ccc(N2CC[NH+](Cc3cccc(-n4cncn4)c3)CC2)cc1 ZINC001236886925 1313546300 /nfs/dbraw/zinc/54/63/00/1313546300.db2.gz PNKCNCHAAQRSQK-UHFFFAOYSA-N 1 0 349.438 2.598 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001236919019 1313553073 /nfs/dbraw/zinc/55/30/73/1313553073.db2.gz KKUCGUUSKJNKIQ-GOSISDBHSA-N 1 0 336.863 2.932 20 10 EFCDRO Cc1cc(C)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c(O)c1 ZINC001276365409 1298818785 /nfs/dbraw/zinc/81/87/85/1298818785.db2.gz OSJKIQYWXQPDDH-HDICACEKSA-N 1 0 330.472 2.837 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC001236922977 1313553557 /nfs/dbraw/zinc/55/35/57/1313553557.db2.gz WEABMQCFIDGSJL-SFHVURJKSA-N 1 0 349.906 2.847 20 10 EFCDRO C[C@@]1(O)CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236925816 1313554956 /nfs/dbraw/zinc/55/49/56/1313554956.db2.gz XPGBEOYUUMCKPS-GOSISDBHSA-N 1 0 338.879 2.914 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001236925946 1313555010 /nfs/dbraw/zinc/55/50/10/1313555010.db2.gz ZERGASNLIXTJIF-KDOFPFPSSA-N 1 0 336.863 2.787 20 10 EFCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)[C@@H]1CO ZINC001236925967 1313555039 /nfs/dbraw/zinc/55/50/39/1313555039.db2.gz ZRDIMMCAWFEHFO-RDTXWAMCSA-N 1 0 338.879 2.769 20 10 EFCDRO C[NH+](C)C1CCN(Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236928534 1313555167 /nfs/dbraw/zinc/55/51/67/1313555167.db2.gz MJDLNFZOGCFQFN-UHFFFAOYSA-N 1 0 337.895 2.703 20 10 EFCDRO CC[N@@H+]1CCCN(Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236928144 1313555410 /nfs/dbraw/zinc/55/54/10/1313555410.db2.gz JTDNGVGYRZCATK-UHFFFAOYSA-N 1 0 337.895 2.704 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN1CC[NH+](C2CCC2)CC1 ZINC001236928414 1313555437 /nfs/dbraw/zinc/55/54/37/1313555437.db2.gz LJHXGPGHIAEQJQ-UHFFFAOYSA-N 1 0 349.906 2.847 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN3CCC(F)(F)[C@H](F)C3)c(F)c2)CC1 ZINC001236931335 1313556084 /nfs/dbraw/zinc/55/60/84/1313556084.db2.gz JGPSLLUJPBZOOF-MRXNPFEDSA-N 1 0 345.384 2.757 20 10 EFCDRO CC[N@H+]1C[C@H]2CN(Cc3ccc(N4CCOCC4)cc3Cl)C[C@H]2C1 ZINC001236930784 1313556316 /nfs/dbraw/zinc/55/63/16/1313556316.db2.gz NZTPLGLFNOGXAQ-CALCHBBNSA-N 1 0 349.906 2.560 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN3CCC(F)(F)[C@@H](F)C3)c(F)c2)CC1 ZINC001236931333 1313556340 /nfs/dbraw/zinc/55/63/40/1313556340.db2.gz JGPSLLUJPBZOOF-INIZCTEOSA-N 1 0 345.384 2.757 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN3CCc4ncccc4C3)c(F)c2)CC1 ZINC001236938325 1313557435 /nfs/dbraw/zinc/55/74/35/1313557435.db2.gz LSRJQCXFICOTIE-UHFFFAOYSA-N 1 0 340.446 2.531 20 10 EFCDRO Cc1ccc(CN(C)Cc2ccc(N3CC[NH+](C)CC3)cc2F)cn1 ZINC001236946223 1313558887 /nfs/dbraw/zinc/55/88/87/1313558887.db2.gz MVPKSSIAIFGVDA-UHFFFAOYSA-N 1 0 342.462 2.913 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3ccc[nH]3)C2)cc1C ZINC000961548141 1298869516 /nfs/dbraw/zinc/86/95/16/1298869516.db2.gz JGLLPEAISVLBRM-UHFFFAOYSA-N 1 0 327.428 2.630 20 10 EFCDRO COCCCN(Cc1cc(Cl)c(Cl)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236948545 1313559119 /nfs/dbraw/zinc/55/91/19/1313559119.db2.gz WKXMDQUSGDAXDK-GFCCVEGCSA-N 1 0 333.259 2.899 20 10 EFCDRO C[N@H+](Cc1ccc(F)c(N2CCOCC2)c1)Cc1ccccc1O ZINC001236961436 1313560798 /nfs/dbraw/zinc/56/07/98/1313560798.db2.gz RWLDFZOYILLFRR-UHFFFAOYSA-N 1 0 330.403 3.000 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH2+]C[C@@H]2C(F)(F)F)c(OC)c1 ZINC001236977839 1313564765 /nfs/dbraw/zinc/56/47/65/1313564765.db2.gz XGTTWKPAJCHJFE-MRXNPFEDSA-N 1 0 345.409 2.878 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCN[C@@H](C(F)(F)F)C3)c2c1 ZINC001236996535 1313568070 /nfs/dbraw/zinc/56/80/70/1313568070.db2.gz OEDCAWQWDHGVAA-MRXNPFEDSA-N 1 0 340.345 2.890 20 10 EFCDRO Oc1cc(C(F)(F)F)ccc1CN1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001236982990 1313566022 /nfs/dbraw/zinc/56/60/22/1313566022.db2.gz UJQTVRGIFXDKIT-LLVKDONJSA-N 1 0 328.256 2.747 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1CN1CC[NH2+]C[C@H]1C(F)(F)F ZINC001236981172 1313566064 /nfs/dbraw/zinc/56/60/64/1313566064.db2.gz KYSOXOJYRUNUTO-NSHDSACASA-N 1 0 344.255 2.627 20 10 EFCDRO CC1(C)C=Cc2c(O)c(CN3CC[NH2+]C[C@@H]3C(F)(F)F)ccc2O1 ZINC001236982328 1313566166 /nfs/dbraw/zinc/56/61/66/1313566166.db2.gz QFEFSXQOIBDGFO-CQSZACIVSA-N 1 0 342.361 2.913 20 10 EFCDRO Oc1c(CN2CC[NH2+]C[C@@H]2C(F)(F)F)cccc1C(F)(F)F ZINC001236983813 1313567052 /nfs/dbraw/zinc/56/70/52/1313567052.db2.gz WPOGINLSRCBRME-SNVBAGLBSA-N 1 0 328.256 2.747 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)C3=COCCC3)C2)cc1C ZINC000961626532 1298949067 /nfs/dbraw/zinc/94/90/67/1298949067.db2.gz OGAIMTSETIJIOA-UHFFFAOYSA-N 1 0 344.455 2.682 20 10 EFCDRO COc1cc(O)c(CN2Cc3ccccc3C[C@H]2C[NH3+])cc1Cl ZINC001237027600 1313572848 /nfs/dbraw/zinc/57/28/48/1313572848.db2.gz IZYKYLFUDFXEQB-HNNXBMFYSA-N 1 0 332.831 2.940 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@]3(CCN(CC)C3=O)C2)c(O)c1 ZINC001237040595 1313573049 /nfs/dbraw/zinc/57/30/49/1313573049.db2.gz IFEICTQZHUJEHM-IBGZPJMESA-N 1 0 332.444 2.625 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC(Oc3ncccn3)CC2)c(O)c1 ZINC001237042316 1313573909 /nfs/dbraw/zinc/57/39/09/1313573909.db2.gz SSEODLDJZIAXSH-UHFFFAOYSA-N 1 0 329.400 2.624 20 10 EFCDRO CCOc1ccc(C[NH+]2CCN(c3ccc(C)cn3)CC2)c(O)c1 ZINC001237041912 1313574037 /nfs/dbraw/zinc/57/40/37/1313574037.db2.gz PVMDLYSGAIHVDH-UHFFFAOYSA-N 1 0 327.428 2.817 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)c(O)c1 ZINC001237042050 1313574413 /nfs/dbraw/zinc/57/44/13/1313574413.db2.gz DXYPUCDRWBLFOE-UHFFFAOYSA-N 1 0 344.411 2.732 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC(NC(=O)C3CCC3)CC2)c(O)c1 ZINC001237041845 1313574434 /nfs/dbraw/zinc/57/44/34/1313574434.db2.gz NFVATHSNTDDLBV-UHFFFAOYSA-N 1 0 332.444 2.672 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ncc(C)cn3)C2)c(O)c1 ZINC001237047697 1313575005 /nfs/dbraw/zinc/57/50/05/1313575005.db2.gz NWDRWPVXIHJRPW-MRXNPFEDSA-N 1 0 329.400 2.543 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ccnc(OC)c3)C2)c(O)c1 ZINC001237047371 1313575415 /nfs/dbraw/zinc/57/54/15/1313575415.db2.gz LUWXJEHOSRWJCX-QGZVFWFLSA-N 1 0 344.411 2.848 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000085367278 1299015984 /nfs/dbraw/zinc/01/59/84/1299015984.db2.gz GIDRMIFKQPPYDF-QWHCGFSZSA-N 1 0 337.464 2.737 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](CO)CC2)c(Br)c1 ZINC001237065813 1313580233 /nfs/dbraw/zinc/58/02/33/1313580233.db2.gz RRAZRQQYELHKGY-NSHDSACASA-N 1 0 344.249 2.758 20 10 EFCDRO COc1cc(O)c(CN2C[C@H](C)[N@H+](C)C[C@H]2C)c(Br)c1 ZINC001237064353 1313580511 /nfs/dbraw/zinc/58/05/11/1313580511.db2.gz HSUGTYRIOHXANS-WDEREUQCSA-N 1 0 343.265 2.688 20 10 EFCDRO Cc1cnc(N2CC[NH+](Cc3ccc(C(C)C)cc3O)CC2)nc1 ZINC001237052377 1313576776 /nfs/dbraw/zinc/57/67/76/1313576776.db2.gz WQCQZJQQMQFIMP-UHFFFAOYSA-N 1 0 326.444 2.936 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[NH+]1CC2(C1)CCOCC2 ZINC001237057015 1313577498 /nfs/dbraw/zinc/57/74/98/1313577498.db2.gz XDJMLPIDPCYYPG-UHFFFAOYSA-N 1 0 331.334 2.946 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1CN1CC[NH+](CC2CC2)CC1 ZINC001237055291 1313577736 /nfs/dbraw/zinc/57/77/36/1313577736.db2.gz CKFVZNHYKDVEQH-UHFFFAOYSA-N 1 0 344.377 2.861 20 10 EFCDRO CC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1ccc(C(C)C)cc1O)CCO2 ZINC001237054457 1313577782 /nfs/dbraw/zinc/57/77/82/1313577782.db2.gz YPBAULXDUINAMU-FQEVSTJZSA-N 1 0 346.471 2.729 20 10 EFCDRO CC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1ccc(C(C)C)cc1O)CCO2 ZINC001237054458 1313577951 /nfs/dbraw/zinc/57/79/51/1313577951.db2.gz YPBAULXDUINAMU-HXUWFJFHSA-N 1 0 346.471 2.729 20 10 EFCDRO CCOC(=O)CC[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237058363 1313578483 /nfs/dbraw/zinc/57/84/83/1313578483.db2.gz YSQGDXFYCRJCHY-UHFFFAOYSA-N 1 0 335.322 2.718 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@](C)(O)CC2)c(Br)c1 ZINC001237062797 1313579266 /nfs/dbraw/zinc/57/92/66/1313579266.db2.gz OQUFCQZPLBCDRN-HNNXBMFYSA-N 1 0 344.249 2.900 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](COc3ccccc3)C1)[C@H](O)CO2 ZINC000779883832 1299115187 /nfs/dbraw/zinc/11/51/87/1299115187.db2.gz GOAMWZUNGFHLFJ-AUUYWEPGSA-N 1 0 341.407 2.719 20 10 EFCDRO COc1ncnc2c1CC[N@H+](Cc1c(O)ccc(F)c1Cl)CC2 ZINC001237122373 1313590157 /nfs/dbraw/zinc/59/01/57/1313590157.db2.gz UDPAAFVVSHCKPI-UHFFFAOYSA-N 1 0 337.782 2.584 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@H]3CC3(F)F)C2)cc1C ZINC000961805821 1299126114 /nfs/dbraw/zinc/12/61/14/1299126114.db2.gz BXOLKLXXASFZBF-YMAMQOFZSA-N 1 0 338.398 2.643 20 10 EFCDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237122174 1313590955 /nfs/dbraw/zinc/59/09/55/1313590955.db2.gz FEQAZELAVNAARQ-QWRGUYRKSA-N 1 0 347.333 2.922 20 10 EFCDRO COC(=O)CCN(CCC[NH+](C)C)Cc1c(O)ccc(F)c1Cl ZINC001237125447 1313591042 /nfs/dbraw/zinc/59/10/42/1313591042.db2.gz RFTHLXUAZDHALK-UHFFFAOYSA-N 1 0 346.830 2.502 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001237126127 1313591347 /nfs/dbraw/zinc/59/13/47/1313591347.db2.gz UWQRAUVVSGOVSS-LLVKDONJSA-N 1 0 342.321 2.719 20 10 EFCDRO COC(=O)[C@H]1C[N@H+](Cc2c(O)cccc2OC(F)(F)F)C[C@@H]1C ZINC001237125919 1313591410 /nfs/dbraw/zinc/59/14/10/1313591410.db2.gz SJXBAZUGIRQNMH-UWVGGRQHSA-N 1 0 333.306 2.532 20 10 EFCDRO Cc1cncnc1O[C@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237129101 1313591734 /nfs/dbraw/zinc/59/17/34/1313591734.db2.gz USRMZQLYPCKGPD-NSHDSACASA-N 1 0 337.782 2.936 20 10 EFCDRO Cn1cnnc1C1CC[NH+](Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237138929 1313592250 /nfs/dbraw/zinc/59/22/50/1313592250.db2.gz AFPWYWPBOQTKPY-UHFFFAOYSA-N 1 0 340.349 2.919 20 10 EFCDRO COCCCC[NH+]1CCN(Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237143724 1313592544 /nfs/dbraw/zinc/59/25/44/1313592544.db2.gz MVNZVUVPWSDJLK-UHFFFAOYSA-N 1 0 346.393 2.955 20 10 EFCDRO CCOC(=O)[C@H]1CN(Cc2cc(C(F)(F)F)ccc2O)CCS1 ZINC001237143225 1313592550 /nfs/dbraw/zinc/59/25/50/1313592550.db2.gz KPYFTBZQRPSYIT-CYBMUJFWSA-N 1 0 349.374 2.892 20 10 EFCDRO CC(=O)N(C)C1CC[NH+](Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237142367 1313592585 /nfs/dbraw/zinc/59/25/85/1313592585.db2.gz HRYVYJNULQUGMK-UHFFFAOYSA-N 1 0 330.350 2.854 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCF)cc1 ZINC001096641666 1313594259 /nfs/dbraw/zinc/59/42/59/1313594259.db2.gz YFPDMNWFKZJWKD-ILXRZTDVSA-N 1 0 347.394 2.544 20 10 EFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@H]1CCCC[C@H]1O ZINC000305853080 1299206615 /nfs/dbraw/zinc/20/66/15/1299206615.db2.gz VOVBBWRJYPFLJX-VQIMIIECSA-N 1 0 336.451 2.645 20 10 EFCDRO O=S1(=O)CCN(c2ccc(C[NH+]3C[C@H]4CCCC[C@@H]4C3)cc2)CC1 ZINC001237203702 1313604898 /nfs/dbraw/zinc/60/48/98/1313604898.db2.gz VNTFLCQVUVZWFM-QZTJIDSGSA-N 1 0 348.512 2.543 20 10 EFCDRO CCCCN(CCCC)c1ccc(C[NH+]2CC(C(N)=O)C2)c(O)c1 ZINC001237213759 1313607272 /nfs/dbraw/zinc/60/72/72/1313607272.db2.gz VDZNPKJITVNZLY-UHFFFAOYSA-N 1 0 333.476 2.716 20 10 EFCDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237213989 1313608206 /nfs/dbraw/zinc/60/82/06/1313608206.db2.gz ZGZAJNPFVBIIMV-QGZVFWFLSA-N 1 0 336.501 2.686 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=S)NCC[NH+](C)C ZINC000007404424 1299288241 /nfs/dbraw/zinc/28/82/41/1299288241.db2.gz OOWBCUJPJMGZMK-UHFFFAOYSA-N 1 0 334.533 2.545 20 10 EFCDRO CCOC(=O)c1nc(CN2CCc3cccc(O)c3C2)sc1C ZINC001237239388 1313610576 /nfs/dbraw/zinc/61/05/76/1313610576.db2.gz DTEYBBADHKCOTD-UHFFFAOYSA-N 1 0 332.425 2.892 20 10 EFCDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1O ZINC000109770223 1299336932 /nfs/dbraw/zinc/33/69/32/1299336932.db2.gz GACGECHQJNVYIU-LBPRGKRZSA-N 1 0 329.356 2.759 20 10 EFCDRO CC[NH2+]CCN1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001237250298 1313612700 /nfs/dbraw/zinc/61/27/00/1313612700.db2.gz USNNUNOQEUFYLQ-UHFFFAOYSA-N 1 0 339.483 2.997 20 10 EFCDRO CCN1CC[C@H]([N@H+](CC)Cc2cc(Br)ccc2O)C1=O ZINC000851793540 1299397385 /nfs/dbraw/zinc/39/73/85/1299397385.db2.gz XFYKXQMOTNRXKS-ZDUSSCGKSA-N 1 0 341.249 2.597 20 10 EFCDRO CCC[N@H+](Cc1ccc(S(=O)(=O)NC)cc1)Cc1ccccc1O ZINC000851793220 1299398795 /nfs/dbraw/zinc/39/87/95/1299398795.db2.gz ZYQPDFBJBJWQCZ-UHFFFAOYSA-N 1 0 348.468 2.713 20 10 EFCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000852010337 1299502672 /nfs/dbraw/zinc/50/26/72/1299502672.db2.gz WVZMEMZUKXELJX-HXUWFJFHSA-N 1 0 331.504 2.829 20 10 EFCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H](CO)Cc2ccccc2)c1O ZINC000852288640 1299632376 /nfs/dbraw/zinc/63/23/76/1299632376.db2.gz CDABAEWGEHSJQP-QGZVFWFLSA-N 1 0 331.387 2.769 20 10 EFCDRO Clc1cc(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)ccc1N1CCOCC1 ZINC001237410728 1313640567 /nfs/dbraw/zinc/64/05/67/1313640567.db2.gz CYBKXYWAZKCOEU-WMZOPIPTSA-N 1 0 349.906 2.751 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000852603195 1299778477 /nfs/dbraw/zinc/77/84/77/1299778477.db2.gz KKNDBOZURXUIHU-HUUCEWRRSA-N 1 0 349.475 2.881 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237416068 1313641910 /nfs/dbraw/zinc/64/19/10/1313641910.db2.gz RKIUFWRLHKNMFV-WCQYABFASA-N 1 0 330.350 2.865 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC[C@@H]2CC2(Cl)Cl)cc1 ZINC000852791218 1299888701 /nfs/dbraw/zinc/88/87/01/1299888701.db2.gz DSALLECWUNDZGR-TZMCWYRMSA-N 1 0 344.286 2.843 20 10 EFCDRO Cc1cc(F)cc(C)c1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852791816 1299888724 /nfs/dbraw/zinc/88/87/24/1299888724.db2.gz MXSRUSXLEVHKKR-QGZVFWFLSA-N 1 0 329.419 2.938 20 10 EFCDRO CSc1ccc(O)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000852790733 1299888851 /nfs/dbraw/zinc/88/88/51/1299888851.db2.gz ATKRLPGEIXAKSG-MRXNPFEDSA-N 1 0 345.468 2.610 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC[C@H]2CC2(Cl)Cl)cc1 ZINC000852791212 1299889039 /nfs/dbraw/zinc/88/90/39/1299889039.db2.gz DSALLECWUNDZGR-GXTWGEPZSA-N 1 0 344.286 2.843 20 10 EFCDRO CN1CCCc2cc(CNC(=O)c3cc4c(s3)CC[NH2+]C4)ccc21 ZINC000852799205 1299893385 /nfs/dbraw/zinc/89/33/85/1299893385.db2.gz REPZWOAQEBLGMT-UHFFFAOYSA-N 1 0 341.480 2.706 20 10 EFCDRO CN(C)c1ccc(CNC(=O)c2cc3c(s2)CC[NH2+]C3)cc1F ZINC000852798212 1299894627 /nfs/dbraw/zinc/89/46/27/1299894627.db2.gz HWUVJJQFAGJLAX-UHFFFAOYSA-N 1 0 333.432 2.529 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC001237487286 1313655270 /nfs/dbraw/zinc/65/52/70/1313655270.db2.gz HPFNBZXQCDFHIK-MRXNPFEDSA-N 1 0 331.437 2.749 20 10 EFCDRO Cc1cccc(O)c1C[NH+]1CCC(Oc2ccc(C(N)=O)cc2)CC1 ZINC001237492451 1313655532 /nfs/dbraw/zinc/65/55/32/1313655532.db2.gz QGNOJADMVGCHNN-UHFFFAOYSA-N 1 0 340.423 2.843 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](OCC(=O)NC(C)(C)C)C1 ZINC001237492419 1313655539 /nfs/dbraw/zinc/65/55/39/1313655539.db2.gz PBOJFXUAUQCQRQ-HNNXBMFYSA-N 1 0 334.460 2.596 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](OCC(=O)NC(C)(C)C)C1 ZINC001237492420 1313655565 /nfs/dbraw/zinc/65/55/65/1313655565.db2.gz PBOJFXUAUQCQRQ-OAHLLOKOSA-N 1 0 334.460 2.596 20 10 EFCDRO CCOc1cccc(N2CC[NH+](Cc3c(C)cccc3O)CC2)n1 ZINC001237493517 1313656066 /nfs/dbraw/zinc/65/60/66/1313656066.db2.gz ZCVTUUFDDQYZAS-UHFFFAOYSA-N 1 0 327.428 2.817 20 10 EFCDRO CCC[N@@H+]1CC[C@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000852864131 1299919188 /nfs/dbraw/zinc/91/91/88/1299919188.db2.gz OHVNTNDHOXSVCU-HNNXBMFYSA-N 1 0 344.484 2.530 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)c2cccc3c2CC[NH2+]C3)c1 ZINC000852885438 1299925766 /nfs/dbraw/zinc/92/57/66/1299925766.db2.gz PXRNBAXKJUSYTE-LBPRGKRZSA-N 1 0 326.396 2.538 20 10 EFCDRO Cc1cccc(C)c1OCCNC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000111235215 1300079629 /nfs/dbraw/zinc/07/96/29/1300079629.db2.gz SQXGCMOZTLBPMH-UHFFFAOYSA-N 1 0 342.439 2.636 20 10 EFCDRO Cc1ccc(CN(C(=O)C[N@@H+](C)Cc2ccccc2O)C2CC2)o1 ZINC000111236398 1300081609 /nfs/dbraw/zinc/08/16/09/1300081609.db2.gz AEYSWNIDLZRAPW-UHFFFAOYSA-N 1 0 328.412 2.917 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](N4CCOC4=O)C3)c2c1 ZINC000853539492 1300155548 /nfs/dbraw/zinc/15/55/48/1300155548.db2.gz BDPXXMASVRDOGE-CQSZACIVSA-N 1 0 342.395 2.581 20 10 EFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000111511684 1300231679 /nfs/dbraw/zinc/23/16/79/1300231679.db2.gz NYCCWIDEWYTQQN-HNNXBMFYSA-N 1 0 336.455 2.565 20 10 EFCDRO OCCCN1CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 ZINC001237640384 1313681688 /nfs/dbraw/zinc/68/16/88/1313681688.db2.gz ARLXZIJBYNFXNU-UHFFFAOYSA-N 1 0 344.430 2.698 20 10 EFCDRO Oc1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC001237640712 1313682652 /nfs/dbraw/zinc/68/26/52/1313682652.db2.gz FICBAAIFYQQYOR-IBGZPJMESA-N 1 0 342.414 2.715 20 10 EFCDRO Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CCc2nncn2CC1 ZINC001237642101 1313682830 /nfs/dbraw/zinc/68/28/30/1313682830.db2.gz ZHCJMMNQVHLXON-UHFFFAOYSA-N 1 0 338.386 2.848 20 10 EFCDRO O=C1OC[C@H]2C[N@H+](Cc3cc(-c4ccc(F)cc4)ccc3O)CCN12 ZINC001237647069 1313684814 /nfs/dbraw/zinc/68/48/14/1313684814.db2.gz RHAMHIJZMWWWQU-QGZVFWFLSA-N 1 0 342.370 2.835 20 10 EFCDRO COc1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(O)c(OC)c1 ZINC001237674409 1313689430 /nfs/dbraw/zinc/68/94/30/1313689430.db2.gz GKWADZMHRANPKH-UHFFFAOYSA-N 1 0 346.402 2.871 20 10 EFCDRO COc1cc(C[NH+]2CCC(Oc3ccccn3)CC2)c(O)c(OC)c1 ZINC001237676981 1313689470 /nfs/dbraw/zinc/68/94/70/1313689470.db2.gz VMCVCAZPGKHHBC-UHFFFAOYSA-N 1 0 344.411 2.848 20 10 EFCDRO Cc1cc(Cl)cc(C[N@@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c1O ZINC001237679735 1313690137 /nfs/dbraw/zinc/69/01/37/1313690137.db2.gz LRGCUPCMZHDZBC-HOCLYGCPSA-N 1 0 334.847 2.654 20 10 EFCDRO Cc1cc(O)c(C[NH+]2CCC(C)(C(N)=O)CC2)cc1Br ZINC001237679341 1313690190 /nfs/dbraw/zinc/69/01/90/1313690190.db2.gz PSTPKCVLIREJKY-UHFFFAOYSA-N 1 0 341.249 2.551 20 10 EFCDRO Cc1cc(Cl)cc(CN2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1O ZINC001237679039 1313690311 /nfs/dbraw/zinc/69/03/11/1313690311.db2.gz FPOQAQCAYRSZIM-AWEZNQCLSA-N 1 0 348.878 2.744 20 10 EFCDRO Cc1cc(O)c(CN2CCC[C@H]3C[N@@H+](C)C[C@@H]32)cc1Br ZINC001237682954 1313690537 /nfs/dbraw/zinc/69/05/37/1313690537.db2.gz VKQIXUMDFAILTQ-WFASDCNBSA-N 1 0 339.277 2.989 20 10 EFCDRO Cc1cc(O)c(C[N@H+](C)CCC2OCCO2)cc1Br ZINC001237683364 1313691102 /nfs/dbraw/zinc/69/11/02/1313691102.db2.gz YSXIMBCSENVDNY-UHFFFAOYSA-N 1 0 330.222 2.658 20 10 EFCDRO Cc1cc(O)c(CN2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)cc1Br ZINC001237684502 1313691307 /nfs/dbraw/zinc/69/13/07/1313691307.db2.gz LREYUKHPVBIGST-SWLSCSKDSA-N 1 0 339.277 2.989 20 10 EFCDRO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237686470 1313691462 /nfs/dbraw/zinc/69/14/62/1313691462.db2.gz ZWOWHIMUPGETIQ-CYBMUJFWSA-N 1 0 337.416 2.575 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)c(O)c(OC)c1 ZINC001237668863 1313688296 /nfs/dbraw/zinc/68/82/96/1313688296.db2.gz HEUAROXQORDVJI-CHWSQXEVSA-N 1 0 349.349 2.545 20 10 EFCDRO COc1cc(CN2CCCC[C@@H]2C[NH+]2CCCC2)c(O)c(OC)c1 ZINC001237675260 1313688989 /nfs/dbraw/zinc/68/89/89/1313688989.db2.gz CWZWRZCHHDFDPC-MRXNPFEDSA-N 1 0 334.460 2.860 20 10 EFCDRO COc1cc(CN2CCC([NH+]3CCCCC3)CC2)c(O)c(OC)c1 ZINC001237674645 1313689139 /nfs/dbraw/zinc/68/91/39/1313689139.db2.gz KHIMXWKLLZXRLL-UHFFFAOYSA-N 1 0 334.460 2.860 20 10 EFCDRO COc1cc(C[N@@H+]2CCN(C)c3nc(C)ccc3C2)c(O)c(OC)c1 ZINC001237674156 1313689269 /nfs/dbraw/zinc/68/92/69/1313689269.db2.gz YMLGETONIRBAFB-UHFFFAOYSA-N 1 0 343.427 2.565 20 10 EFCDRO CCOCCCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207489435 1313698725 /nfs/dbraw/zinc/69/87/25/1313698725.db2.gz MVCINVJWSZWBEQ-GOSISDBHSA-N 1 0 348.487 2.901 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC(C[NH+](C)C)C3)c2C)cc1 ZINC000854723359 1300675783 /nfs/dbraw/zinc/67/57/83/1300675783.db2.gz YJSMXYLRGJBOOW-UHFFFAOYSA-N 1 0 341.455 2.736 20 10 EFCDRO CCCc1ccc(S(=O)(=O)Nc2cccc(N3CC([NH3+])C3)c2)cc1 ZINC001237814337 1313712044 /nfs/dbraw/zinc/71/20/44/1313712044.db2.gz SDXKFHHIMTVXDF-UHFFFAOYSA-N 1 0 345.468 2.587 20 10 EFCDRO Cc1cc(C)c2c(c1)C[N@@H+](Cc1cc3c(cc1O)OC[C@H]3O)CC2 ZINC000776774751 1300766219 /nfs/dbraw/zinc/76/62/19/1300766219.db2.gz NFPZRSYCZXLLIL-LJQANCHMSA-N 1 0 325.408 2.993 20 10 EFCDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000776801318 1300867208 /nfs/dbraw/zinc/86/72/08/1300867208.db2.gz XUIULCZKQKGWNR-ZDUSSCGKSA-N 1 0 337.439 2.848 20 10 EFCDRO CCOc1ccc(C[NH2+][C@@H](C)C2CCN(C(=O)OC)CC2)c(O)c1 ZINC000776808706 1300931739 /nfs/dbraw/zinc/93/17/39/1300931739.db2.gz UILQRSHPTJUWHE-ZDUSSCGKSA-N 1 0 336.432 2.747 20 10 EFCDRO CCOc1ccc(C[NH2+][C@H](C)C2CCN(C(=O)OC)CC2)c(O)c1 ZINC000776808705 1300931929 /nfs/dbraw/zinc/93/19/29/1300931929.db2.gz UILQRSHPTJUWHE-CYBMUJFWSA-N 1 0 336.432 2.747 20 10 EFCDRO CCCOCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207610762 1313729420 /nfs/dbraw/zinc/72/94/20/1313729420.db2.gz FRSCXVMJIDQRAU-QGZVFWFLSA-N 1 0 334.460 2.511 20 10 EFCDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccc(OC)c2O)C1 ZINC000776810577 1300934990 /nfs/dbraw/zinc/93/49/90/1300934990.db2.gz ZLAMECDZTIHXFC-UKRRQHHQSA-N 1 0 336.432 2.747 20 10 EFCDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cccc(OC)c2O)C1 ZINC000776810574 1300935018 /nfs/dbraw/zinc/93/50/18/1300935018.db2.gz ZLAMECDZTIHXFC-HIFRSBDPSA-N 1 0 336.432 2.747 20 10 EFCDRO CC[C@H]([NH2+][C@@H]1CCOC[C@H]1OCCOC)c1ccc(N(C)C)cc1 ZINC000776866713 1301204067 /nfs/dbraw/zinc/20/40/67/1301204067.db2.gz HWHKERPHSJXQNO-IPMKNSEASA-N 1 0 336.476 2.614 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2cc(F)cc(C)c2O)Cc2cn(C)nc21 ZINC001238062516 1313753523 /nfs/dbraw/zinc/75/35/23/1313753523.db2.gz TYGUKFRWAWLVIF-OAHLLOKOSA-N 1 0 333.407 2.709 20 10 EFCDRO Cc1noc([C@H]2C[C@@H]3CC[N@H+](Cc4cc(F)cc(C)c4O)C[C@H]3O2)n1 ZINC001238060333 1313753540 /nfs/dbraw/zinc/75/35/40/1313753540.db2.gz HCIBMOKLGKBKLI-APHBMKBZSA-N 1 0 347.390 2.883 20 10 EFCDRO Cc1cncnc1O[C@H]1CCC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238064702 1313754482 /nfs/dbraw/zinc/75/44/82/1313754482.db2.gz APDCAYBBFKTIQC-INIZCTEOSA-N 1 0 331.391 2.982 20 10 EFCDRO CC1(CNS(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)C[NH2+]C1 ZINC001238122841 1313766008 /nfs/dbraw/zinc/76/60/08/1313766008.db2.gz KOJXCZYUDNBWLZ-QZQOTICOSA-N 1 0 344.440 2.990 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000859362240 1301442447 /nfs/dbraw/zinc/44/24/47/1301442447.db2.gz SXSOFRKEOLDYHT-LJQANCHMSA-N 1 0 339.439 2.731 20 10 EFCDRO Cc1cc(C(=O)CN(C)CC2(C)COC2)c(C)n1-c1ccc(F)cn1 ZINC000859572091 1301493986 /nfs/dbraw/zinc/49/39/86/1301493986.db2.gz NKHMTDCZSSNCDV-UHFFFAOYSA-N 1 0 345.418 2.779 20 10 EFCDRO COC(=O)C1C[NH+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001207774001 1313770658 /nfs/dbraw/zinc/77/06/58/1313770658.db2.gz JCIOMNLKSUQYNA-UHFFFAOYSA-N 1 0 327.380 2.576 20 10 EFCDRO CC[C@@H](C)OCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207856230 1313789027 /nfs/dbraw/zinc/78/90/27/1313789027.db2.gz AZUSJAHUUIVYME-AEFFLSMTSA-N 1 0 348.487 2.899 20 10 EFCDRO [NH3+][C@H]1C[C@@H](NS(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)C1 ZINC001238400386 1313812300 /nfs/dbraw/zinc/81/23/00/1313812300.db2.gz VTTUCACUMAUYGK-UFWDAUBFSA-N 1 0 330.413 2.870 20 10 EFCDRO CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001018323513 1313813486 /nfs/dbraw/zinc/81/34/86/1313813486.db2.gz AUFGCLRWWWPODM-IYBDPMFKSA-N 1 0 343.431 2.938 20 10 EFCDRO CC(=O)N(C)C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862234607 1302316596 /nfs/dbraw/zinc/31/65/96/1302316596.db2.gz UMLLEODDEMOMTQ-UHFFFAOYSA-N 1 0 341.249 2.597 20 10 EFCDRO COCCOC[C@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862251011 1302322329 /nfs/dbraw/zinc/32/23/29/1302322329.db2.gz XXGUPNALBJREEP-ZDUSSCGKSA-N 1 0 328.403 2.516 20 10 EFCDRO CC[C@H](C)[N@H+](CCO)Cc1cc(Br)cc(OC)c1O ZINC000862387896 1302363073 /nfs/dbraw/zinc/36/30/73/1302363073.db2.gz TWESTOXZPPPYOU-JTQLQIEISA-N 1 0 332.238 2.756 20 10 EFCDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862368683 1302351546 /nfs/dbraw/zinc/35/15/46/1302351546.db2.gz LFWZYUCUFOVCDP-NSHDSACASA-N 1 0 336.233 2.878 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[C@@H]1C(=O)OC(C)(C)C ZINC000862485336 1302398667 /nfs/dbraw/zinc/39/86/67/1302398667.db2.gz KYMOXAARLDGVMR-OCCSQVGLSA-N 1 0 349.427 2.921 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc(OC)c2O)Cc2ccccc21 ZINC000862536541 1302408227 /nfs/dbraw/zinc/40/82/27/1302408227.db2.gz JQIVZUZYWZUKKJ-MRXNPFEDSA-N 1 0 327.380 2.673 20 10 EFCDRO Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c(C)n1-c1ccccn1 ZINC000862792130 1302460893 /nfs/dbraw/zinc/46/08/93/1302460893.db2.gz NRINUVNXCLTFDA-KRWDZBQOSA-N 1 0 340.471 2.951 20 10 EFCDRO O=C([C@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2)N1CC=CC1 ZINC001278256495 1313846285 /nfs/dbraw/zinc/84/62/85/1313846285.db2.gz GZSMENMVMAQAAZ-MRXNPFEDSA-N 1 0 330.403 2.532 20 10 EFCDRO O=C([C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cc(F)ccc1O)N1CCCCO1 ZINC001278257025 1313846960 /nfs/dbraw/zinc/84/69/60/1313846960.db2.gz MTBSLFKYDQVHHW-XLQHLMKVSA-N 1 0 348.418 2.590 20 10 EFCDRO O=C(N1CCCC12CC2)[C@]12C[C@H]1CC[N@H+]2Cc1cc(F)ccc1O ZINC001278254749 1313843716 /nfs/dbraw/zinc/84/37/16/1313843716.db2.gz GKFQEKUZTONVCL-KUHUBIRLSA-N 1 0 330.403 2.651 20 10 EFCDRO Cc1c(C[N@@H+]2CCC[C@]3(CN(C)CCO3)C2)c2ccccc2n1C ZINC001276556746 1313851201 /nfs/dbraw/zinc/85/12/01/1313851201.db2.gz QMABPHVEYYRBOR-FQEVSTJZSA-N 1 0 327.472 2.783 20 10 EFCDRO Cc1c(C[NH+]2CC3(C2)CCN(CC[NH+](C)C)C3)c2ccccc2n1C ZINC001276557324 1313852614 /nfs/dbraw/zinc/85/26/14/1313852614.db2.gz YYRLIVWTYOXZML-UHFFFAOYSA-N 1 0 340.515 2.556 20 10 EFCDRO Cc1c(C[NH+]2CC3(CN(C(=O)NC(C)C)C3)C2)c2ccccc2n1C ZINC001276555925 1313848998 /nfs/dbraw/zinc/84/89/98/1313848998.db2.gz HOYXAYPHNPMDEF-UHFFFAOYSA-N 1 0 340.471 2.722 20 10 EFCDRO CCOc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(O)c1 ZINC000863646979 1302668094 /nfs/dbraw/zinc/66/80/94/1302668094.db2.gz UBSIKWSTQRWKDJ-JSGCOSHPSA-N 1 0 332.366 2.750 20 10 EFCDRO CCOc1ccc(C[NH2+]Cc2c(Br)cnn2C)c(O)c1 ZINC000865680538 1303364230 /nfs/dbraw/zinc/36/42/30/1303364230.db2.gz FNCSDUWPFDDPOA-UHFFFAOYSA-N 1 0 340.221 2.577 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@H](O)C(F)(F)F)CC2)cc1 ZINC000865712451 1303374260 /nfs/dbraw/zinc/37/42/60/1303374260.db2.gz YAIHNDJFHGZFKX-NHYWBVRUSA-N 1 0 332.366 2.565 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000865712450 1303374554 /nfs/dbraw/zinc/37/45/54/1303374554.db2.gz YAIHNDJFHGZFKX-IAQYHMDHSA-N 1 0 332.366 2.565 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000865712452 1303374609 /nfs/dbraw/zinc/37/46/09/1303374609.db2.gz YAIHNDJFHGZFKX-XHDPSFHLSA-N 1 0 332.366 2.565 20 10 EFCDRO Cc1ccc(O)c(C[NH2+]Cc2ccnc(N3CCSCC3)c2)c1 ZINC000865721053 1303377434 /nfs/dbraw/zinc/37/74/34/1303377434.db2.gz NKBOEUJJSPRHKD-UHFFFAOYSA-N 1 0 329.469 2.939 20 10 EFCDRO C[C@H](NC(=O)NCc1ccc(N2CC[NH2+]CC2)cc1)C1CCCCC1 ZINC001239223243 1313916019 /nfs/dbraw/zinc/91/60/19/1313916019.db2.gz NQRMRGBKMGSGMQ-INIZCTEOSA-N 1 0 344.503 2.864 20 10 EFCDRO CCOc1ccc(O)c(C[NH+]2CCN(c3cc(C)ccn3)CC2)c1 ZINC000120918102 1303529105 /nfs/dbraw/zinc/52/91/05/1303529105.db2.gz TUJHVOYPGUYTQA-UHFFFAOYSA-N 1 0 327.428 2.817 20 10 EFCDRO CCOC(=O)C1(C)CC([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000866243178 1303577426 /nfs/dbraw/zinc/57/74/26/1303577426.db2.gz VWRYISSHILMJBA-XRTORIHISA-N 1 0 346.471 2.906 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]Cc2c(Br)cnn2C)c1O ZINC000866432234 1303637431 /nfs/dbraw/zinc/63/74/31/1303637431.db2.gz NREBAGINLWGHRP-VIFPVBQESA-N 1 0 340.221 2.748 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cccc(C)n3)C2)cc1C ZINC001018524533 1313924228 /nfs/dbraw/zinc/92/42/28/1313924228.db2.gz DVEHTIJESWVBRM-KRWDZBQOSA-N 1 0 339.439 2.711 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(C)o3)C2)cc1C ZINC000966858358 1304365108 /nfs/dbraw/zinc/36/51/08/1304365108.db2.gz TZDSBCFXSTZXKS-MRXNPFEDSA-N 1 0 328.412 2.909 20 10 EFCDRO CSC1(CNC(=O)N[C@H](C)c2ccccc2O)CC[NH+](C)CC1 ZINC000868627559 1304388405 /nfs/dbraw/zinc/38/84/05/1304388405.db2.gz VAQSRTUUBKDABU-CYBMUJFWSA-N 1 0 337.489 2.580 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ncccc3C)C2)cc1C ZINC001018688383 1314003878 /nfs/dbraw/zinc/00/38/78/1314003878.db2.gz FCPQKAJNYKYJIK-KRWDZBQOSA-N 1 0 339.439 2.711 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(C)nc3)C2)cc1C ZINC000967172693 1304738319 /nfs/dbraw/zinc/73/83/19/1304738319.db2.gz GJNONKVIYJXLSA-GOSISDBHSA-N 1 0 339.439 2.711 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCOCC3)C2)cc1C ZINC001018783538 1314044919 /nfs/dbraw/zinc/04/49/19/1314044919.db2.gz PXHZIGFVPYASGE-MSOLQXFVSA-N 1 0 346.471 2.511 20 10 EFCDRO CCC[C@@H](OC)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001208943031 1314053550 /nfs/dbraw/zinc/05/35/50/1314053550.db2.gz NECKWGUAQLUINC-PKOBYXMFSA-N 1 0 348.487 2.899 20 10 EFCDRO CCOC1CC(C(=O)N2CC[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)C1 ZINC001018806149 1314055537 /nfs/dbraw/zinc/05/55/37/1314055537.db2.gz YUSRXEAGAUAIFG-ADKAHSJRSA-N 1 0 346.471 2.509 20 10 EFCDRO CC[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1[NH2+]CCF ZINC001037977331 1305518661 /nfs/dbraw/zinc/51/86/61/1305518661.db2.gz SNPFTNBWEFRSSJ-DOMZBBRYSA-N 1 0 349.410 2.649 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@H]1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001209005969 1314067257 /nfs/dbraw/zinc/06/72/57/1314067257.db2.gz XDDUGUUPYHMHLH-HNNXBMFYSA-N 1 0 348.443 2.855 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)C(F)F)cc1C ZINC001036918879 1305739747 /nfs/dbraw/zinc/73/97/47/1305739747.db2.gz RSWMWXZGTVVUJM-KBPBESRZSA-N 1 0 326.387 2.643 20 10 EFCDRO COCCC[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001209057144 1314082186 /nfs/dbraw/zinc/08/21/86/1314082186.db2.gz ZUBQLBDRZJIZIY-UHFFFAOYSA-N 1 0 341.455 2.819 20 10 EFCDRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2cc(C)ccc2O)s1 ZINC000796531409 1305971786 /nfs/dbraw/zinc/97/17/86/1305971786.db2.gz YUSQKJGNXVFFCE-RYUDHWBXSA-N 1 0 348.472 2.867 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3oc(C)nc3C)C2)cc1C ZINC000968320486 1306127934 /nfs/dbraw/zinc/12/79/34/1306127934.db2.gz PZTYCVITJBIIND-MRXNPFEDSA-N 1 0 343.427 2.613 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc[nH]n3)[C@H](C)C2)cc1C ZINC001044478923 1306546554 /nfs/dbraw/zinc/54/65/54/1306546554.db2.gz PMNLKAUIFQEWEC-ZBFHGGJFSA-N 1 0 342.443 2.510 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCC3(F)F)C2)cc1C ZINC001019018016 1314133524 /nfs/dbraw/zinc/13/35/24/1314133524.db2.gz WFOXVMLXOSCULD-GJZGRUSLSA-N 1 0 338.398 2.739 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cnco3)[C@@H](C)C2)cc1C ZINC001044697904 1306727710 /nfs/dbraw/zinc/72/77/10/1306727710.db2.gz OIVZKTRVXVRTGV-HOCLYGCPSA-N 1 0 343.427 2.775 20 10 EFCDRO Cc1cc(CN2CCC[C@@H]3C[N@@H+](C)C[C@H]32)c(O)cc1Br ZINC001250128837 1315176368 /nfs/dbraw/zinc/17/63/68/1315176368.db2.gz MBHAACIHTSXXIE-IUODEOHRSA-N 1 0 339.277 2.989 20 10 EFCDRO CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000968974565 1306853536 /nfs/dbraw/zinc/85/35/36/1306853536.db2.gz PIGUGCIZBKXRJK-LMMKCTJWSA-N 1 0 346.471 2.509 20 10 EFCDRO CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC001044877542 1306888348 /nfs/dbraw/zinc/88/83/48/1306888348.db2.gz IWVDVRLEGXJBKJ-IUODEOHRSA-N 1 0 331.420 2.842 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]CC2CC2)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001044879921 1306892232 /nfs/dbraw/zinc/89/22/32/1306892232.db2.gz SYTIHKXJEUKUCK-MLGOLLRUSA-N 1 0 343.431 2.842 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3(C4CC4)CC3)C2)cc1C ZINC000969023735 1306901208 /nfs/dbraw/zinc/90/12/08/1306901208.db2.gz VSEITCIVYCDFDJ-QGZVFWFLSA-N 1 0 328.456 2.884 20 10 EFCDRO COc1cccc(O)c1C[NH2+]CCCNC(=O)/C=C/c1ccccc1 ZINC000800313014 1307691207 /nfs/dbraw/zinc/69/12/07/1307691207.db2.gz ZVYKSPKNMXSZPG-VAWYXSNFSA-N 1 0 340.423 2.710 20 10 EFCDRO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2c[nH]c(=O)c(F)c2)n1C ZINC001242613527 1314218898 /nfs/dbraw/zinc/21/88/98/1314218898.db2.gz LUSVUYKJZZTSLL-UHFFFAOYSA-N 1 0 329.331 2.965 20 10 EFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CCCCO2)c1O ZINC001278357448 1314255936 /nfs/dbraw/zinc/25/59/36/1314255936.db2.gz JERABVYJGNCWBF-HNAYVOBHSA-N 1 0 330.428 2.527 20 10 EFCDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc2c(cc1O)OCO2 ZINC000800866060 1308576508 /nfs/dbraw/zinc/57/65/08/1308576508.db2.gz QQKOIKLIDSAQHZ-UHFFFAOYSA-N 1 0 330.340 2.704 20 10 EFCDRO Cc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)cc1Cl ZINC001276372412 1314261975 /nfs/dbraw/zinc/26/19/75/1314261975.db2.gz SEIAPEWCZBCBFZ-IYBDPMFKSA-N 1 0 337.895 2.564 20 10 EFCDRO Cc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)cc1Cl ZINC001276372565 1314290787 /nfs/dbraw/zinc/29/07/87/1314290787.db2.gz YPKDEBQFAGCILG-IYBDPMFKSA-N 1 0 346.862 2.926 20 10 EFCDRO CCc1ncoc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001019356727 1314290906 /nfs/dbraw/zinc/29/09/06/1314290906.db2.gz CWTGLIPYQXMXSC-HNNXBMFYSA-N 1 0 343.427 2.558 20 10 EFCDRO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2ccc(=O)n(CC)c2)n1C ZINC001243833218 1314326023 /nfs/dbraw/zinc/32/60/23/1314326023.db2.gz BKHSQAANKRGSJD-UHFFFAOYSA-N 1 0 339.395 2.907 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)C(C)(F)F)C2)cc1C ZINC001047669805 1311059042 /nfs/dbraw/zinc/05/90/42/1311059042.db2.gz CXJDYIQLYCGKBZ-HIFRSBDPSA-N 1 0 340.414 2.985 20 10 EFCDRO [O-]c1cc(Br)cc(F)c1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222148985 1311091755 /nfs/dbraw/zinc/09/17/55/1311091755.db2.gz TUJXLHSPNVCUJF-HNNXBMFYSA-N 1 0 343.240 2.869 20 10 EFCDRO [O-]c1cc(F)c(Br)cc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222149013 1311092128 /nfs/dbraw/zinc/09/21/28/1311092128.db2.gz UXSYYQDUZQYWCB-HNNXBMFYSA-N 1 0 343.240 2.869 20 10 EFCDRO Cc1cc(Br)cc(CN2CCC[C@]3(CC[NH2+]3)C2)c1O ZINC001222287205 1311110265 /nfs/dbraw/zinc/11/02/65/1311110265.db2.gz CSRGXYVVMNCSLE-HNNXBMFYSA-N 1 0 325.250 2.791 20 10 EFCDRO Oc1c(CN2CCC[C@]3(CCC[NH2+]3)C2)cc2c3c1CCCN3CCC2 ZINC001222347141 1311117185 /nfs/dbraw/zinc/11/71/85/1311117185.db2.gz XGXWWRGFFNQYQS-OAQYLSRUSA-N 1 0 341.499 2.809 20 10 EFCDRO Oc1cccc(Br)c1CN1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222356308 1311118728 /nfs/dbraw/zinc/11/87/28/1311118728.db2.gz YXEQTVLMPDRSRD-OAHLLOKOSA-N 1 0 325.250 2.873 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222434062 1311130515 /nfs/dbraw/zinc/13/05/15/1311130515.db2.gz AVJGGSROTIJCPL-IBGZPJMESA-N 1 0 349.906 2.895 20 10 EFCDRO Cc1cc(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(C)n1-c1ccccc1 ZINC001222497335 1311141842 /nfs/dbraw/zinc/14/18/42/1311141842.db2.gz DJVCOHKQZRMNSH-SFTDATJTSA-N 1 0 338.499 2.620 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NCC[NH+]3CCC3)c2C)cc1 ZINC000752296938 1311151629 /nfs/dbraw/zinc/15/16/29/1311151629.db2.gz GMTNOAKRMNPTHP-UHFFFAOYSA-N 1 0 327.428 2.538 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)c3cc[nH]c3)C2)cc1C ZINC001047859381 1311232101 /nfs/dbraw/zinc/23/21/01/1311232101.db2.gz NPFQTSXRMQHGMU-QAPCUYQASA-N 1 0 341.455 2.972 20 10 EFCDRO CCN(C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(O)c(O)c1)C2)C(C)C ZINC001276913607 1311294649 /nfs/dbraw/zinc/29/46/49/1311294649.db2.gz GHQOZDPQAQOVED-HGKCTWBKSA-N 1 0 346.471 2.813 20 10 EFCDRO COc1ccc(N2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)cc1 ZINC001276924857 1311309468 /nfs/dbraw/zinc/30/94/68/1311309468.db2.gz PYGLUZYZTQPNCQ-UHFFFAOYSA-N 1 0 326.444 2.911 20 10 EFCDRO COc1ccc(N2CCC[C@]3(CCC[N@H+](CCN(C)C)C3)C2)cc1 ZINC001276926099 1311311274 /nfs/dbraw/zinc/31/12/74/1311311274.db2.gz AHNKMBDZDDBVHJ-FQEVSTJZSA-N 1 0 331.504 2.939 20 10 EFCDRO CCOc1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3CCn2ccnc2)cc1 ZINC001276926277 1311311553 /nfs/dbraw/zinc/31/15/53/1311311553.db2.gz PUZCGJCRONJSOG-HDICACEKSA-N 1 0 326.444 2.635 20 10 EFCDRO CCOc1ccc(N2CCCC3(C[NH+](CCn4ccnc4)C3)C2)cc1 ZINC001276926793 1311312867 /nfs/dbraw/zinc/31/28/67/1311312867.db2.gz XYUDSRIGGCBODE-UHFFFAOYSA-N 1 0 340.471 2.884 20 10 EFCDRO COc1ccc(N2CCC3(C[NH+](Cc4cccc(=O)[nH]4)C3)CC2)cc1 ZINC001276927454 1311313097 /nfs/dbraw/zinc/31/30/97/1311313097.db2.gz RWKQPVXOWBBUNX-UHFFFAOYSA-N 1 0 339.439 2.898 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CCCC23CC3)cc1 ZINC001276958730 1311366767 /nfs/dbraw/zinc/36/67/67/1311366767.db2.gz UTVYCDLRNOXOLS-LAUBAEHRSA-N 1 0 339.483 2.872 20 10 EFCDRO COCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001224456113 1311393453 /nfs/dbraw/zinc/39/34/53/1311393453.db2.gz SFNLNHUJLOEMAQ-IAGOWNOFSA-N 1 0 334.460 2.557 20 10 EFCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000802169703 1311419865 /nfs/dbraw/zinc/41/98/65/1311419865.db2.gz QGDKSRXEMWFSQM-INIZCTEOSA-N 1 0 331.460 2.941 20 10 EFCDRO COc1ccc(N2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c(OC)c1 ZINC001276994595 1311431065 /nfs/dbraw/zinc/43/10/65/1311431065.db2.gz PGDRWDWPHIZWBN-UHFFFAOYSA-N 1 0 347.503 2.558 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C(C)(C)F)C[C@@H]2C)cc1C ZINC001048113353 1311472107 /nfs/dbraw/zinc/47/21/07/1311472107.db2.gz NFSKOQUDLOMAOI-GOEBONIOSA-N 1 0 336.451 2.936 20 10 EFCDRO CC[C@H](OC)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001225259293 1311496508 /nfs/dbraw/zinc/49/65/08/1311496508.db2.gz MYHPGBYQHDITMU-KURKYZTESA-N 1 0 348.487 2.946 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]2C)cc1C ZINC001048146965 1311509653 /nfs/dbraw/zinc/50/96/53/1311509653.db2.gz YGNWLTODCLQHGO-DOTOQJQBSA-N 1 0 341.455 2.830 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(Nc3cnn(C4C[NH2+]C4)c3)cccc21 ZINC001159439017 1311516111 /nfs/dbraw/zinc/51/61/11/1311516111.db2.gz ZAILSSXIYKDTCJ-UHFFFAOYSA-N 1 0 344.374 2.546 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCO[C@H]2C(C)C)cc1C ZINC001159605976 1311550347 /nfs/dbraw/zinc/55/03/47/1311550347.db2.gz CHNNNBIQEJPUCW-MJGOQNOKSA-N 1 0 348.487 2.661 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3(C)CC3)C[C@@H]2C)cc1C ZINC001048266637 1311619357 /nfs/dbraw/zinc/61/93/57/1311619357.db2.gz OUYQXUCQQGYRNB-DOTOQJQBSA-N 1 0 330.472 2.988 20 10 EFCDRO NC(=O)CC1CCC2(CC1)CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001277191426 1311780348 /nfs/dbraw/zinc/78/03/48/1311780348.db2.gz BVHLOUCSJZCMEF-UHFFFAOYSA-N 1 0 332.444 2.746 20 10 EFCDRO CC(C)(C)NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc(O)cc1O ZINC001277192571 1311781917 /nfs/dbraw/zinc/78/19/17/1311781917.db2.gz PKWSATJSHUOUSA-FCLUMBPUSA-N 1 0 332.444 2.517 20 10 EFCDRO C[C@@H](NC[C@H]1CCCCC[NH2+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000902483502 1311784352 /nfs/dbraw/zinc/78/43/52/1311784352.db2.gz QXFVVGCLMCTVCG-NVXWUHKLSA-N 1 0 335.467 2.845 20 10 EFCDRO CC(C)[NH2+]C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001048480726 1311811729 /nfs/dbraw/zinc/81/17/29/1311811729.db2.gz VMZVYTJDSVRLPD-OCCSQVGLSA-N 1 0 331.420 2.555 20 10 EFCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C(C)(C)C ZINC000802643463 1311874136 /nfs/dbraw/zinc/87/41/36/1311874136.db2.gz KDLRCAXXNCGYHI-HNNXBMFYSA-N 1 0 338.517 2.693 20 10 EFCDRO Cn1nccc1[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000902577090 1311895764 /nfs/dbraw/zinc/89/57/64/1311895764.db2.gz ZGPNUBKUIVDVBQ-IBGZPJMESA-N 1 0 327.428 2.578 20 10 EFCDRO CC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001048623617 1311979851 /nfs/dbraw/zinc/97/98/51/1311979851.db2.gz CXQRRBXSLDHBSX-HDJSIYSDSA-N 1 0 345.447 2.995 20 10 EFCDRO COCc1ccc(C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001162139090 1312054908 /nfs/dbraw/zinc/05/49/08/1312054908.db2.gz PAWDKNWAAUSKKI-UHFFFAOYSA-N 1 0 346.427 2.653 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@H]2CC(C)(C)CO2)cc1C ZINC001162352038 1312092702 /nfs/dbraw/zinc/09/27/02/1312092702.db2.gz KSQPJBGBHUTWGM-KRWDZBQOSA-N 1 0 348.487 2.805 20 10 EFCDRO O=C(Nc1cn[nH]c1)[C@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001277442777 1312179661 /nfs/dbraw/zinc/17/96/61/1312179661.db2.gz ZSIDHFGXXGEWJQ-APWZRJJASA-N 1 0 340.427 2.746 20 10 EFCDRO O=C(Nc1cn[nH]c1)[C@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001277442780 1312179701 /nfs/dbraw/zinc/17/97/01/1312179701.db2.gz ZSIDHFGXXGEWJQ-VQIMIIECSA-N 1 0 340.427 2.746 20 10 EFCDRO O=C([C@@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1O)C2)N1CC=CC1 ZINC001277446336 1312192107 /nfs/dbraw/zinc/19/21/07/1312192107.db2.gz OECWULUONYTHNN-PXNSSMCTSA-N 1 0 326.440 2.783 20 10 EFCDRO COc1cccc(C[NH+]2CCC3(CC[C@@H](C(=O)N(C)C)C3)CC2)c1O ZINC001277451828 1312213326 /nfs/dbraw/zinc/21/33/26/1312213326.db2.gz IUYHXGJYEIQZAE-OAHLLOKOSA-N 1 0 346.471 2.871 20 10 EFCDRO COc1ccc(C[NH+]2CCC3(C=C(C(=O)N(C)C)CC3)CC2)c(O)c1 ZINC001277456111 1312243345 /nfs/dbraw/zinc/24/33/45/1312243345.db2.gz BDAWCPKZFRZHLQ-UHFFFAOYSA-N 1 0 344.455 2.791 20 10 EFCDRO COC[C@@H](C)C(=O)NCCC1(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001163785958 1312384326 /nfs/dbraw/zinc/38/43/26/1312384326.db2.gz URPOEOOHFLULOP-MRXNPFEDSA-N 1 0 348.487 2.662 20 10 EFCDRO C[C@H]([NH2+]CCN1Cc2ccccc2OCC1=O)c1cc(F)ccc1O ZINC000903180471 1312436707 /nfs/dbraw/zinc/43/67/07/1312436707.db2.gz COXCAOJLXDJGAM-ZDUSSCGKSA-N 1 0 344.386 2.603 20 10 EFCDRO CC[N@@H+]1CC[C@@H](Oc2cc(O)ccc2C(=O)c2ccc(O)c(O)c2)C1 ZINC001231341762 1312480542 /nfs/dbraw/zinc/48/05/42/1312480542.db2.gz QNGMQMXDHJFVPG-CQSZACIVSA-N 1 0 343.379 2.507 20 10 EFCDRO Cc1cc(F)cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C2CCCC2)c1O ZINC001277519662 1312499492 /nfs/dbraw/zinc/49/94/92/1312499492.db2.gz GWMCSNXYDVYHDG-MSOLQXFVSA-N 1 0 334.435 2.667 20 10 EFCDRO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H](C)c1ccccc1O ZINC000903267212 1312523237 /nfs/dbraw/zinc/52/32/37/1312523237.db2.gz BRRXGVCVDIVTGS-XNRPHZJLSA-N 1 0 336.432 2.677 20 10 EFCDRO COc1ccc(Br)c(C[N@H+](CCCO)C(C)C)c1O ZINC001231554535 1312524098 /nfs/dbraw/zinc/52/40/98/1312524098.db2.gz WYDSRMMJOCLXMP-UHFFFAOYSA-N 1 0 332.238 2.756 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(CCC[C@H]3C(N)=O)C2)c(O)c1 ZINC001277533338 1312525627 /nfs/dbraw/zinc/52/56/27/1312525627.db2.gz FWYBLEFJJDUBOD-FXAWDEMLSA-N 1 0 345.487 2.716 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(CCC[C@@H]3C(N)=O)C2)c(O)c1 ZINC001277533341 1312525829 /nfs/dbraw/zinc/52/58/29/1312525829.db2.gz FWYBLEFJJDUBOD-YLJYHZDGSA-N 1 0 345.487 2.716 20 10 EFCDRO COC(=O)[C@H]1COCCC12C[NH+](Cc1c(O)ccc3ccccc31)C2 ZINC001231591241 1312528989 /nfs/dbraw/zinc/52/89/89/1312528989.db2.gz ZJWCIJQXSGIBDN-QGZVFWFLSA-N 1 0 341.407 2.557 20 10 EFCDRO COc1ccc(CC[N@@H+](C)Cc2cc(OC)c(O)cc2O)cc1OC ZINC001231634282 1312536185 /nfs/dbraw/zinc/53/61/85/1312536185.db2.gz KPQRWVLEHZOFFJ-UHFFFAOYSA-N 1 0 347.411 2.798 20 10 EFCDRO COc1cc(C[NH+]2CCC(Oc3ccncc3)CC2)c(O)cc1O ZINC001231634095 1312536354 /nfs/dbraw/zinc/53/63/54/1312536354.db2.gz IBQWUARKXKTSNQ-UHFFFAOYSA-N 1 0 330.384 2.545 20 10 EFCDRO COc1cc(C[N@H+](Cc2cccnc2)C2CCOCC2)c(O)cc1O ZINC001231634902 1312536413 /nfs/dbraw/zinc/53/64/13/1312536413.db2.gz BGCCBRYMMPNXLN-UHFFFAOYSA-N 1 0 344.411 2.683 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231636025 1312536734 /nfs/dbraw/zinc/53/67/34/1312536734.db2.gz OMHXGAVERXAPPV-LBPRGKRZSA-N 1 0 337.416 2.660 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3cccnc3)C2)c(O)cc1O ZINC001231635985 1312536873 /nfs/dbraw/zinc/53/68/73/1312536873.db2.gz NJPGMZXJLBABLY-HNNXBMFYSA-N 1 0 330.384 2.545 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)c(O)cc1O ZINC001231639636 1312537525 /nfs/dbraw/zinc/53/75/25/1312537525.db2.gz YFOKNISYETUKDT-ZDUSSCGKSA-N 1 0 337.416 2.803 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3ncccc3C)C2)c(O)cc1O ZINC001231639761 1312537547 /nfs/dbraw/zinc/53/75/47/1312537547.db2.gz JERANIVHRMSZMB-HNNXBMFYSA-N 1 0 344.411 2.853 20 10 EFCDRO COc1cc(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c(O)cc1O ZINC001231639754 1312537793 /nfs/dbraw/zinc/53/77/93/1312537793.db2.gz IUXKQMBIWWRQEZ-HZPDHXFCSA-N 1 0 340.423 2.675 20 10 EFCDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000903299354 1312548407 /nfs/dbraw/zinc/54/84/07/1312548407.db2.gz MGVNUJLXSWJWMQ-GAJTVXKRSA-N 1 0 330.222 2.609 20 10 EFCDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000903300201 1312551340 /nfs/dbraw/zinc/55/13/40/1312551340.db2.gz WKXGBZULZNQXCF-LERXQTSPSA-N 1 0 344.249 2.918 20 10 EFCDRO Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](CC(=O)NC(C)(C)C)O[C@H]3C2)c(O)c1 ZINC001277567359 1312566621 /nfs/dbraw/zinc/56/66/21/1312566621.db2.gz GDJYQGRBQHDQHL-NUJGCVRESA-N 1 0 346.471 2.595 20 10 EFCDRO Cc1ccc(C[NH2+]C23CC(C(=O)N4CC(F)(C5CC5)C4)(C2)C3)c(O)c1 ZINC001277567652 1312566782 /nfs/dbraw/zinc/56/67/82/1312566782.db2.gz ONDVLNYHPYSSQA-UHFFFAOYSA-N 1 0 344.430 2.673 20 10 EFCDRO Cc1ccc(C[NH+]2CC3(C2)SCC[C@@H]3C(=O)NC(C)(C)C)c(O)c1 ZINC001277568815 1312568089 /nfs/dbraw/zinc/56/80/89/1312568089.db2.gz RGLDIGYKTRCWAY-OAHLLOKOSA-N 1 0 348.512 2.923 20 10 EFCDRO Cc1ccc(C[NH2+]C23CC(C(=O)N4CCCC45CC5)(C2)C3)c(O)c1 ZINC001277568703 1312568215 /nfs/dbraw/zinc/56/82/15/1312568215.db2.gz UQQZLHZZVBYJIE-UHFFFAOYSA-N 1 0 326.440 2.868 20 10 EFCDRO Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CCCC23CC3)c(O)c1 ZINC001277569202 1312568740 /nfs/dbraw/zinc/56/87/40/1312568740.db2.gz YCXFKSMMSKRGSU-UZLBHIALSA-N 1 0 326.440 2.820 20 10 EFCDRO CCO[C@H]1CC[N@H+](Cc2c(C)cc(C)cc2O)[C@H]1Cc1cnn(C)c1 ZINC001231845064 1312573386 /nfs/dbraw/zinc/57/33/86/1312573386.db2.gz SQIYUNCMXGTKCK-ICSRJNTNSA-N 1 0 343.471 2.965 20 10 EFCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)c(O)c1 ZINC001231845035 1312573405 /nfs/dbraw/zinc/57/34/05/1312573405.db2.gz WCLHXLOAWXSTBS-ROUUACIJSA-N 1 0 328.456 2.984 20 10 EFCDRO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001231844981 1312573730 /nfs/dbraw/zinc/57/37/30/1312573730.db2.gz UYTJJJYQCOXROJ-IEBWSBKVSA-N 1 0 333.428 2.553 20 10 EFCDRO COc1ccnc(O[C@@H]2CCC[N@H+](Cc3c(C)cc(C)cc3O)C2)n1 ZINC001231850320 1312573934 /nfs/dbraw/zinc/57/39/34/1312573934.db2.gz MWESJVNLCPHMES-OAHLLOKOSA-N 1 0 343.427 2.851 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC001231851470 1312574042 /nfs/dbraw/zinc/57/40/42/1312574042.db2.gz CLAPDTLRGSMCIK-QGZVFWFLSA-N 1 0 345.487 2.596 20 10 EFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC2(CCN(C(C)=O)C2)CC1 ZINC001231852226 1312574061 /nfs/dbraw/zinc/57/40/61/1312574061.db2.gz SFVVXQBRYPOCNC-UHFFFAOYSA-N 1 0 345.487 2.596 20 10 EFCDRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(N(C)C)cc1OC)C2 ZINC001231851601 1312574185 /nfs/dbraw/zinc/57/41/85/1312574185.db2.gz AEOZFLBAHFIAKF-VQTJNVASSA-N 1 0 348.487 2.779 20 10 EFCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](OCC(=O)NC(C)(C)C)C2)c(O)c1 ZINC001231849148 1312574396 /nfs/dbraw/zinc/57/43/96/1312574396.db2.gz ONPOOXFNYJTSBK-MRXNPFEDSA-N 1 0 348.487 2.905 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](Oc2ncncc2C)C1 ZINC001231854292 1312574764 /nfs/dbraw/zinc/57/47/64/1312574764.db2.gz BXGCWVDXCOFBEG-QGZVFWFLSA-N 1 0 342.443 2.513 20 10 EFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC001231853147 1312575014 /nfs/dbraw/zinc/57/50/14/1312575014.db2.gz GRMWOCOUJPSRII-UHFFFAOYSA-N 1 0 345.487 2.596 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001231852994 1312575197 /nfs/dbraw/zinc/57/51/97/1312575197.db2.gz CXHSUWZDCFVOQZ-SFHVURJKSA-N 1 0 327.428 2.810 20 10 EFCDRO CCOC(=O)[C@H]1CCN(Cc2cc(Cl)c(C)cc2O)CCC1=O ZINC001231869347 1312578314 /nfs/dbraw/zinc/57/83/14/1312578314.db2.gz MDGHEVGPSMFTNC-ZDUSSCGKSA-N 1 0 339.819 2.698 20 10 EFCDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)n1 ZINC001231872403 1312578565 /nfs/dbraw/zinc/57/85/65/1312578565.db2.gz YYAUGAIJRYIOIT-CYBMUJFWSA-N 1 0 349.818 2.806 20 10 EFCDRO O=S1(=O)CC[C@@H](CF)C12CN(Cc1ccc3ccccc3c1O)C2 ZINC001231880247 1312579539 /nfs/dbraw/zinc/57/95/39/1312579539.db2.gz AJWDDHRGZNWWAU-HNNXBMFYSA-N 1 0 349.427 2.504 20 10 EFCDRO C[C@@H]1CN(C2C[NH+](Cc3ccc4ccccc4c3O)C2)C[C@H](C)O1 ZINC001231884045 1312580940 /nfs/dbraw/zinc/58/09/40/1312580940.db2.gz UYNXVPOLEQASPY-GASCZTMLSA-N 1 0 326.440 2.839 20 10 EFCDRO C[C@H]1CN(C2C[NH+](Cc3ccc4ccccc4c3O)C2)C[C@H](C)O1 ZINC001231884048 1312580990 /nfs/dbraw/zinc/58/09/90/1312580990.db2.gz UYNXVPOLEQASPY-GJZGRUSLSA-N 1 0 326.440 2.839 20 10 EFCDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232194250 1312645926 /nfs/dbraw/zinc/64/59/26/1312645926.db2.gz GPZHUDBIYIUAOA-GOEBONIOSA-N 1 0 338.879 2.769 20 10 EFCDRO Clc1cc(C[N@@H+]2CCC[C@@]3(CCO3)C2)ccc1N1CCOCC1 ZINC001232200048 1312647360 /nfs/dbraw/zinc/64/73/60/1312647360.db2.gz OAEWQQRMFLLMHP-GOSISDBHSA-N 1 0 336.863 2.932 20 10 EFCDRO CCOC(=O)CC[N@H+](C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232202619 1312647838 /nfs/dbraw/zinc/64/78/38/1312647838.db2.gz CIOQIYCUAZRQSK-UHFFFAOYSA-N 1 0 340.851 2.562 20 10 EFCDRO Clc1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)ccc1N1CCOCC1 ZINC001232203005 1312647942 /nfs/dbraw/zinc/64/79/42/1312647942.db2.gz LHRONWOAQBVJDH-QGZVFWFLSA-N 1 0 349.906 2.847 20 10 EFCDRO O=C1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@H]12 ZINC001232204343 1312648962 /nfs/dbraw/zinc/64/89/62/1312648962.db2.gz LIUUDTCMNDVBCW-CVEARBPZSA-N 1 0 348.874 2.978 20 10 EFCDRO COCc1cccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC001232255710 1312659693 /nfs/dbraw/zinc/65/96/93/1312659693.db2.gz LDQYXBCWCJKUSI-UHFFFAOYSA-N 1 0 341.455 2.697 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CC[C@]1(O)C(F)(F)F ZINC001232258955 1312660102 /nfs/dbraw/zinc/66/01/02/1312660102.db2.gz FKPZNVDYQGPPSY-AMIZOPFISA-N 1 0 339.741 2.886 20 10 EFCDRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232260300 1312660237 /nfs/dbraw/zinc/66/02/37/1312660237.db2.gz VAWJRHNXGKBITF-DLBZAZTESA-N 1 0 341.835 2.769 20 10 EFCDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232262817 1312660745 /nfs/dbraw/zinc/66/07/45/1312660745.db2.gz RIXUBNNLMCVRMI-UMNHJUIQSA-N 1 0 325.792 2.525 20 10 EFCDRO O=C([C@H]1CCC[N@@H+](Cc2cc(Cl)c(O)cc2O)C1)N1CCCC1 ZINC001232261484 1312660800 /nfs/dbraw/zinc/66/08/00/1312660800.db2.gz ISADMEBBXXQRMU-LBPRGKRZSA-N 1 0 338.835 2.586 20 10 EFCDRO CC(C)c1nc(CC[N@H+](C)Cc2cc(Cl)c(O)cc2O)no1 ZINC001232261360 1312660830 /nfs/dbraw/zinc/66/08/30/1312660830.db2.gz ZYUYBQBCONPEPF-UHFFFAOYSA-N 1 0 325.796 2.932 20 10 EFCDRO CCN1CCC2(CC[NH+](Cc3cc(Cl)c(O)cc3O)CC2)C1=O ZINC001232263211 1312661210 /nfs/dbraw/zinc/66/12/10/1312661210.db2.gz KAKCCTPTEJDIKO-UHFFFAOYSA-N 1 0 338.835 2.586 20 10 EFCDRO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232262912 1312661393 /nfs/dbraw/zinc/66/13/93/1312661393.db2.gz VVIOBZBRHZJWKR-LLVKDONJSA-N 1 0 327.808 2.916 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)cc1Cl ZINC001232266169 1312661598 /nfs/dbraw/zinc/66/15/98/1312661598.db2.gz JQKZMVHMZGLVQF-CYBMUJFWSA-N 1 0 339.741 2.801 20 10 EFCDRO Cc1nccnc1O[C@@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232264587 1312661672 /nfs/dbraw/zinc/66/16/72/1312661672.db2.gz JILOBJXISSVLQD-GFCCVEGCSA-N 1 0 335.791 2.503 20 10 EFCDRO COc1cc(O)c(CN2CC3(C2)CC[N@H+](CC2CC2)C3)cc1Cl ZINC001232267816 1312662696 /nfs/dbraw/zinc/66/26/96/1312662696.db2.gz JLVGDAIHJMBPIK-UHFFFAOYSA-N 1 0 336.863 2.972 20 10 EFCDRO COc1c[nH+]ccc1Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001211263694 1314465645 /nfs/dbraw/zinc/46/56/45/1314465645.db2.gz ZLFVIXPFPFFFEI-UHFFFAOYSA-N 1 0 346.342 2.737 20 10 EFCDRO Fc1cc(C2=CC[C@H]([NH+]3CCOCC3)CC2)ccc1N1CCOCC1 ZINC001245427456 1314490006 /nfs/dbraw/zinc/49/00/06/1314490006.db2.gz PAOHCMMGCUILSA-SFHVURJKSA-N 1 0 346.446 2.930 20 10 EFCDRO CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001052966678 1314525291 /nfs/dbraw/zinc/52/52/91/1314525291.db2.gz WVADHYXHRFUGFF-AWEZNQCLSA-N 1 0 331.420 2.843 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccoc3C)C2)cc1C ZINC001019975534 1314553058 /nfs/dbraw/zinc/55/30/58/1314553058.db2.gz DIRXBQIHHVVFLW-WKILWMFISA-N 1 0 328.412 2.956 20 10 EFCDRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1cccc(O)c1O ZINC001213547740 1314573602 /nfs/dbraw/zinc/57/36/02/1314573602.db2.gz NNICHSGASUCTQX-UHFFFAOYSA-N 1 0 329.400 2.602 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@H]3CCCCO3)C2)cc1C ZINC001020063437 1314595625 /nfs/dbraw/zinc/59/56/25/1314595625.db2.gz MPXNYZCJWNQOOT-KZNAEPCWSA-N 1 0 346.471 2.700 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C)n3cccc3)C2)cc1C ZINC001020081578 1314603914 /nfs/dbraw/zinc/60/39/14/1314603914.db2.gz JTWCGZKLMPJRBV-SZMVWBNQSA-N 1 0 341.455 2.803 20 10 EFCDRO CCOCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001214204618 1314659382 /nfs/dbraw/zinc/65/93/82/1314659382.db2.gz NDCBPKNUNHHPLZ-SJLPKXTDSA-N 1 0 348.487 2.757 20 10 EFCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CN[C@H](C(=O)OC(C)(C)C)C1 ZINC001246920057 1314708356 /nfs/dbraw/zinc/70/83/56/1314708356.db2.gz IUZYBYRBJVLYGC-ROUUACIJSA-N 1 0 347.503 2.647 20 10 EFCDRO C[C@H]1CC[C@@H](N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C[NH2+]1 ZINC001246997192 1314727034 /nfs/dbraw/zinc/72/70/34/1314727034.db2.gz ROMGJOLNJMTKKB-DZGCQCFKSA-N 1 0 343.393 2.848 20 10 EFCDRO COCCn1c2ccccc2nc1-c1ccc(N2CC[NH2+]CC2)cc1 ZINC001247025818 1314733109 /nfs/dbraw/zinc/73/31/09/1314733109.db2.gz MPBJEJPULMHGCZ-UHFFFAOYSA-N 1 0 336.439 2.759 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3CC[NH2+]C[C@@H]3O)n2)cc1 ZINC001247757906 1314835437 /nfs/dbraw/zinc/83/54/37/1314835437.db2.gz UFUUVWLLDLLCRK-IRXDYDNUSA-N 1 0 338.411 2.582 20 10 EFCDRO C[NH+]1CCN(c2cccc(-c3noc(Cc4ccc(N)cc4)n3)c2)CC1 ZINC001248184348 1314901617 /nfs/dbraw/zinc/90/16/17/1314901617.db2.gz SSFXROZVCHJXRT-UHFFFAOYSA-N 1 0 349.438 2.661 20 10 EFCDRO CC[N@H+](Cc1cc(I)cc(OC)c1O)C1CC1 ZINC001248387419 1314930765 /nfs/dbraw/zinc/93/07/65/1314930765.db2.gz XUYOAEAXDPPJHX-UHFFFAOYSA-N 1 0 347.196 2.990 20 10 EFCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)cc1Cl ZINC001248879766 1314990401 /nfs/dbraw/zinc/99/04/01/1314990401.db2.gz DBEQGABTOHSCTA-AEFFLSMTSA-N 1 0 341.879 2.908 20 10 EFCDRO CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001216893611 1315020356 /nfs/dbraw/zinc/02/03/56/1315020356.db2.gz FBAYFRBHFQFETN-XJKCOSOUSA-N 1 0 345.447 2.945 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)c(O)c1 ZINC001249171867 1315028710 /nfs/dbraw/zinc/02/87/10/1315028710.db2.gz GSWWCEGYUIQFFZ-MRXNPFEDSA-N 1 0 330.384 2.741 20 10 EFCDRO COC(=O)Cc1ccc(C[NH+]2CCC(c3ccccn3)CC2)c(O)c1 ZINC001249201314 1315032888 /nfs/dbraw/zinc/03/28/88/1315032888.db2.gz NZWHIVDGOXXGLA-UHFFFAOYSA-N 1 0 340.423 2.882 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c(O)c1 ZINC001249201025 1315033106 /nfs/dbraw/zinc/03/31/06/1315033106.db2.gz BNEQPBHKJOCKEY-LJQANCHMSA-N 1 0 341.407 2.681 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCOC[C@@H]2C2CCCCC2)c(O)c1 ZINC001249216984 1315033855 /nfs/dbraw/zinc/03/38/55/1315033855.db2.gz JMHDQNHDIDFQSN-GOSISDBHSA-N 1 0 347.455 2.889 20 10 EFCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCC[C@@]4(CNC(=O)O4)C3)ccc2O1 ZINC001249251976 1315039963 /nfs/dbraw/zinc/03/99/63/1315039963.db2.gz CUSBUQMKJQRIHT-LJQANCHMSA-N 1 0 344.411 2.651 20 10 EFCDRO CC1(C)C=Cc2c(O)c(C[NH+]3CCC4(COC(=O)N4)CC3)ccc2O1 ZINC001249259041 1315040720 /nfs/dbraw/zinc/04/07/20/1315040720.db2.gz PPFBXWRHOAYJTN-UHFFFAOYSA-N 1 0 344.411 2.651 20 10 EFCDRO CC[C@@H]([NH2+]CCN1CCCC1=O)c1cc(Br)ccc1O ZINC000405386446 1315052467 /nfs/dbraw/zinc/05/24/67/1315052467.db2.gz AYUKISUAKVQXAS-CYBMUJFWSA-N 1 0 341.249 2.818 20 10 EFCDRO Cc1c2cccc(-c3noc(C[C@@H]([NH3+])c4ccccc4O)n3)c2nn1C ZINC001249339136 1315056424 /nfs/dbraw/zinc/05/64/24/1315056424.db2.gz JVOZXPCPCUGEOA-OAHLLOKOSA-N 1 0 349.394 2.880 20 10 EFCDRO C[NH2+][C@H]1C[C@H](Oc2c(OC)ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001217955073 1315124723 /nfs/dbraw/zinc/12/47/23/1315124723.db2.gz WDEBVXTULKJCPD-HAQNSBGRSA-N 1 0 337.375 2.600 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3C[NH2+]CC[C@@H]3F)cccc21 ZINC001217962297 1315126077 /nfs/dbraw/zinc/12/60/77/1315126077.db2.gz YUHUUPCAOBBMNQ-HOCLYGCPSA-N 1 0 325.339 2.541 20 10 EFCDRO CCOC(=O)CCCOc1ccc(C[N@H+](CC)CCOC)c(O)c1 ZINC001249725534 1315127173 /nfs/dbraw/zinc/12/71/73/1315127173.db2.gz PRCOLXUUJQXKRQ-UHFFFAOYSA-N 1 0 339.432 2.583 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CCC[NH2+]CC3)ccc(O)c21 ZINC001217994640 1315130243 /nfs/dbraw/zinc/13/02/43/1315130243.db2.gz JHVGVRVOMRUFSY-GFCCVEGCSA-N 1 0 337.375 2.689 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CC[NH2+]CC[C@H]3F)cccc21 ZINC001218013296 1315134175 /nfs/dbraw/zinc/13/41/75/1315134175.db2.gz AMEDZXBMNRSGEL-HZPDHXFCSA-N 1 0 339.366 2.931 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3CC[NH2+]CC[C@H]3F)cccc21 ZINC001218013294 1315134281 /nfs/dbraw/zinc/13/42/81/1315134281.db2.gz AMEDZXBMNRSGEL-CVEARBPZSA-N 1 0 339.366 2.931 20 10 EFCDRO Cc1cc(O[C@H]2C[NH2+][C@H](C)C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218039358 1315137568 /nfs/dbraw/zinc/13/75/68/1315137568.db2.gz HZZYCVLPXURRJO-VXGBXAGGSA-N 1 0 337.375 2.605 20 10 EFCDRO C[C@@H]1C[C@@H](Oc2cccc3c2C(=O)c2c(O)cccc2C3=O)CC[NH2+]1 ZINC001218050230 1315139534 /nfs/dbraw/zinc/13/95/34/1315139534.db2.gz PVRLNZMADHQXGB-NEPJUHHUSA-N 1 0 337.375 2.687 20 10 EFCDRO O=C1c2cccc(OC3CC4(C3)CC[NH2+]C4)c2C(=O)c2cccc(O)c21 ZINC001218060738 1315140673 /nfs/dbraw/zinc/14/06/73/1315140673.db2.gz OANWTGZWMPXERS-UHFFFAOYSA-N 1 0 349.386 2.689 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3CC[NH2+]C[C@H]3F)cccc21 ZINC001218068853 1315142279 /nfs/dbraw/zinc/14/22/79/1315142279.db2.gz XXWQJISTZZHYQM-CABCVRRESA-N 1 0 325.339 2.541 20 10 EFCDRO CC(C)(C)OC(=O)NCc1c[nH+]ccc1Nc1ccc(O)cc1O ZINC001249821473 1315142604 /nfs/dbraw/zinc/14/26/04/1315142604.db2.gz WYBLBJXTVDKOLO-UHFFFAOYSA-N 1 0 331.372 2.683 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)ccc(O)c21 ZINC001218185242 1315160842 /nfs/dbraw/zinc/16/08/42/1315160842.db2.gz XFNKJDBCKGATPE-ITGUQSILSA-N 1 0 349.386 2.829 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3C[C@H]4CC[NH2+][C@H]4C3)ccc(O)c21 ZINC001218247781 1315170609 /nfs/dbraw/zinc/17/06/09/1315170609.db2.gz FAEYPQHQPWCAOW-JMSVASOKSA-N 1 0 349.386 2.687 20 10 EFCDRO Cc1c(O)cc2c(c1OC1CC3(CC[NH2+]3)C1)C(=O)c1ccccc1C2=O ZINC001218245516 1315170652 /nfs/dbraw/zinc/17/06/52/1315170652.db2.gz CJQJHTWEHJTLDX-UHFFFAOYSA-N 1 0 349.386 2.749 20 10 EFCDRO O=C1c2cccc(O[C@@H]3C[C@H]4CC[NH2+][C@H]4C3)c2C(=O)c2cccc(O)c21 ZINC001218248467 1315171357 /nfs/dbraw/zinc/17/13/57/1315171357.db2.gz HDQPWTNRDSEJSI-JMSVASOKSA-N 1 0 349.386 2.687 20 10 EFCDRO Cc1cc(CN2CC[NH+](C(C)C)CC2)c(O)cc1Br ZINC001250117431 1315174671 /nfs/dbraw/zinc/17/46/71/1315174671.db2.gz OZXOUKDDPDFCHF-UHFFFAOYSA-N 1 0 327.266 2.989 20 10 EFCDRO COC(=O)[C@@]1(C)CCCN1Cc1cc(C)c(Br)cc1O ZINC001250120961 1315175574 /nfs/dbraw/zinc/17/55/74/1315175574.db2.gz WLSFYKVGISVCDR-OAHLLOKOSA-N 1 0 342.233 2.991 20 10 EFCDRO Cc1cc(CN2CC(N3CC[C@H](F)C3)C2)c(O)cc1Br ZINC001250129160 1315176617 /nfs/dbraw/zinc/17/66/17/1315176617.db2.gz ZJWHMNVIMUMTDE-LBPRGKRZSA-N 1 0 343.240 2.691 20 10 EFCDRO Cc1cc(CN2CCC[C@H]([NH+](C)C)C2)c(O)cc1Br ZINC001250128605 1315176687 /nfs/dbraw/zinc/17/66/87/1315176687.db2.gz HBFGEFMDTHIXAF-ZDUSSCGKSA-N 1 0 327.266 2.989 20 10 EFCDRO Cc1cc(C[N@H+](C)CCC2OCCO2)c(O)cc1Br ZINC001250133704 1315177065 /nfs/dbraw/zinc/17/70/65/1315177065.db2.gz QAJSXGSPDWKOKJ-UHFFFAOYSA-N 1 0 330.222 2.658 20 10 EFCDRO CCNC(=O)[C@@H]1CCCN1Cc1cc(C)c(Br)cc1O ZINC001250135879 1315177918 /nfs/dbraw/zinc/17/79/18/1315177918.db2.gz ITSATJJUOSTEEJ-ZDUSSCGKSA-N 1 0 341.249 2.564 20 10 EFCDRO CCC(=O)[C@H]1C[C@@H](Oc2ccc3c(c2)C(=O)c2ccccc2C3=O)C[NH2+]1 ZINC001218328471 1315179796 /nfs/dbraw/zinc/17/97/96/1315179796.db2.gz SMYFYOOYPHQEGS-FZKQIMNGSA-N 1 0 349.386 2.550 20 10 EFCDRO C[C@@H]1CC[C@@H](Oc2ccc(O)c3c2C(=O)c2ccccc2C3=O)C[NH2+]1 ZINC001218400755 1315189939 /nfs/dbraw/zinc/18/99/39/1315189939.db2.gz WBGZJMQBTLLYQB-VXGBXAGGSA-N 1 0 337.375 2.687 20 10 EFCDRO C[C@@H]1CC[C@@H](Oc2cccc3c2C(=O)c2cccc(O)c2C3=O)C[NH2+]1 ZINC001218408323 1315191730 /nfs/dbraw/zinc/19/17/30/1315191730.db2.gz USYIEUJOCUAYCZ-VXGBXAGGSA-N 1 0 337.375 2.687 20 10 EFCDRO C[C@H]1CC[C@@H](Oc2cccc3c2C(=O)c2cccc(O)c2C3=O)C[NH2+]1 ZINC001218408321 1315191832 /nfs/dbraw/zinc/19/18/32/1315191832.db2.gz USYIEUJOCUAYCZ-NWDGAFQWSA-N 1 0 337.375 2.687 20 10 EFCDRO CC(C)Oc1cc(COc2ccc(N3CC[NH2+]CC3)cc2)cnc1F ZINC001218442814 1315196605 /nfs/dbraw/zinc/19/66/05/1315196605.db2.gz LNIVGNYSCPKKKP-UHFFFAOYSA-N 1 0 345.418 2.997 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3C[NH2+]CCC3(F)F)ccc21 ZINC001218451871 1315197890 /nfs/dbraw/zinc/19/78/90/1315197890.db2.gz HOUSLNQXGLUUHY-MRXNPFEDSA-N 1 0 343.329 2.838 20 10 EFCDRO O=C1c2cccc(O[C@@H]3CC[C@@H]4C[NH2+]C[C@H]34)c2C(=O)c2cccc(O)c21 ZINC001218458415 1315199563 /nfs/dbraw/zinc/19/95/63/1315199563.db2.gz AWMOHIDQQYEQBZ-DIOULYMOSA-N 1 0 349.386 2.544 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]34)ccc(O)c21 ZINC001218461361 1315200177 /nfs/dbraw/zinc/20/01/77/1315200177.db2.gz RDQXRXQAGAAAIX-DJSGYFEHSA-N 1 0 349.386 2.544 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3CC[C@H]4C[NH2+]C[C@H]43)ccc21 ZINC001218465405 1315200715 /nfs/dbraw/zinc/20/07/15/1315200715.db2.gz JFLMAPNHYGJTBB-GESALYCCSA-N 1 0 333.387 2.839 20 10 EFCDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1cccc2c1C(=O)c1c(O)cccc1C2=O ZINC001218482026 1315202809 /nfs/dbraw/zinc/20/28/09/1315202809.db2.gz QPCXTDQBEHAXLU-BZNIZROVSA-N 1 0 337.375 2.544 20 10 EFCDRO COc1ccc2c(c1O[C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)C(=O)c1ccccc1C2=O ZINC001218480101 1315203125 /nfs/dbraw/zinc/20/31/25/1315203125.db2.gz ZXFHXNRKWHRPSJ-UXEPBGEESA-N 1 0 349.386 2.742 20 10 EFCDRO COc1cc(O)c(CN2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)cc1OC ZINC001276789831 1315216882 /nfs/dbraw/zinc/21/68/82/1315216882.db2.gz LLKSUCXVSXFQNL-WMLDXEAASA-N 1 0 346.471 2.858 20 10 EFCDRO N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)C=C1CC[NH2+]CC1 ZINC001218582674 1315217484 /nfs/dbraw/zinc/21/74/84/1315217484.db2.gz YUEJZPNLKIJCIL-GFIZNMFYSA-N 1 0 336.399 2.915 20 10 EFCDRO C[NH+]1CC2(C1)CCCN(Cc1ccc(N3CCOCC3)cc1Cl)C2 ZINC001276791504 1315225559 /nfs/dbraw/zinc/22/55/59/1315225559.db2.gz YRJVGFJLWUMHNY-UHFFFAOYSA-N 1 0 349.906 2.704 20 10 EFCDRO Oc1cccc2c1C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1)CC2 ZINC001250672243 1315239924 /nfs/dbraw/zinc/23/99/24/1315239924.db2.gz UMXTTZMEVSIJOE-OAHLLOKOSA-N 1 0 333.815 2.844 20 10 EFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C[NH2+]C(C)(C)C)cc1 ZINC001318401204 1328575365 /nfs/dbraw/zinc/57/53/65/1328575365.db2.gz IVDGUKBTPBMQMS-GOSISDBHSA-N 1 0 347.503 2.648 20 10 EFCDRO CCc1ccc(C[NH+]2CC3(C2)CCN(Cc2ccc[nH]2)C3)c(O)c1 ZINC001276804404 1315305753 /nfs/dbraw/zinc/30/57/53/1315305753.db2.gz BZNYFSSGEKQWDT-UHFFFAOYSA-N 1 0 325.456 2.991 20 10 EFCDRO CN(C)c1ccc(/C=C/C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)cc1 ZINC001219537738 1315320361 /nfs/dbraw/zinc/32/03/61/1315320361.db2.gz PLLDDTGZXFNWNE-JQPQZFQTSA-N 1 0 349.434 2.852 20 10 EFCDRO CN(C)c1ccc(/C=C/C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)cc1 ZINC001219537739 1315320540 /nfs/dbraw/zinc/32/05/40/1315320540.db2.gz PLLDDTGZXFNWNE-PGUYEUBTSA-N 1 0 349.434 2.852 20 10 EFCDRO Cc1ccc(CC[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)o1 ZINC001251726721 1315371617 /nfs/dbraw/zinc/37/16/17/1315371617.db2.gz JMVNDRXDINDIDP-UHFFFAOYSA-N 1 0 331.435 2.811 20 10 EFCDRO CC(C)(C)[C@H]([NH3+])CC(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212307 1315385424 /nfs/dbraw/zinc/38/54/24/1315385424.db2.gz DEYKRTQRDNHPDQ-CYBMUJFWSA-N 1 0 335.835 2.974 20 10 EFCDRO O=C(C[C@@H]1CCC[NH2+]C1)NCc1cc(Cl)c2cccnc2c1O ZINC001220212621 1315385873 /nfs/dbraw/zinc/38/58/73/1315385873.db2.gz QJTGQFSBNHFLAU-NSHDSACASA-N 1 0 333.819 2.600 20 10 EFCDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001252062555 1315408426 /nfs/dbraw/zinc/40/84/26/1315408426.db2.gz CIURLVYRZSFDLR-MOPGFXCFSA-N 1 0 342.487 2.735 20 10 EFCDRO CCOc1ccc(CN2C[C@@H]3C[N@H+](C4CCCC4)C[C@H](C2)O3)c(O)c1 ZINC001276814005 1315422166 /nfs/dbraw/zinc/42/21/66/1315422166.db2.gz AEJXOYUGJOLLDU-KDURUIRLSA-N 1 0 346.471 2.619 20 10 EFCDRO CC(C)NC(=O)N1CC2(C1)C[NH+](Cc1ccc(C(C)C)cc1O)C2 ZINC001276814673 1315429773 /nfs/dbraw/zinc/42/97/73/1315429773.db2.gz KDMRSXUVTLOSTE-UHFFFAOYSA-N 1 0 331.460 2.751 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC2CCCC2)cc1 ZINC001039062539 1315435964 /nfs/dbraw/zinc/43/59/64/1315435964.db2.gz YEJPJSRLCVMWCB-INIZCTEOSA-N 1 0 343.431 2.843 20 10 EFCDRO CN1CC2(C1)CCC[N@H+](Cc1ccc(OCC(F)(F)F)cc1O)C2 ZINC001276815785 1315445860 /nfs/dbraw/zinc/44/58/60/1315445860.db2.gz ZUWYBHUMQJUIAH-UHFFFAOYSA-N 1 0 344.377 2.861 20 10 EFCDRO Oc1cccc(C[NH2+]C[C@@H](O)COc2cccc3ccccc32)c1O ZINC001252398724 1315446092 /nfs/dbraw/zinc/44/60/92/1315446092.db2.gz NYJWTNTUWJXYRV-MRXNPFEDSA-N 1 0 339.391 2.781 20 10 EFCDRO Oc1ccc(C[NH2+]C[C@@H](O)COc2cccc3ccccc32)c(O)c1 ZINC001252397713 1315446607 /nfs/dbraw/zinc/44/66/07/1315446607.db2.gz AUDJNRBJGOLXIN-QGZVFWFLSA-N 1 0 339.391 2.781 20 10 EFCDRO Cc1cc(C)c(CNC(=O)[C@@H]([NH3+])CCCc2ccccc2)c(O)c1 ZINC001220825648 1315454061 /nfs/dbraw/zinc/45/40/61/1315454061.db2.gz POHODZWKEUSJKZ-SFHVURJKSA-N 1 0 326.440 2.975 20 10 EFCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)COCc1ccco1 ZINC001252645180 1315481102 /nfs/dbraw/zinc/48/11/02/1315481102.db2.gz PJNDXTJZCYWTGS-GOSISDBHSA-N 1 0 332.444 2.745 20 10 EFCDRO C[NH+](C)CCN1CCC12CN(Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001276819709 1315494314 /nfs/dbraw/zinc/49/43/14/1315494314.db2.gz WVSXCEDWNBPHJU-UHFFFAOYSA-N 1 0 344.286 2.521 20 10 EFCDRO COc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001252908608 1315528372 /nfs/dbraw/zinc/52/83/72/1315528372.db2.gz XYPVMNBUZZOGEH-MAUKXSAKSA-N 1 0 344.455 2.852 20 10 EFCDRO CCc1cccc(C[NH2+][C@H]2CC(=O)N(c3ccc(OC)cc3)C2)c1O ZINC000826981525 1315550107 /nfs/dbraw/zinc/55/01/07/1315550107.db2.gz ZKNYAMVQOAIDON-INIZCTEOSA-N 1 0 340.423 2.858 20 10 EFCDRO CCCC[C@@H](CC)COC[C@H](O)C[NH2+]CCc1ccc(O)c(O)c1 ZINC001253021963 1315554975 /nfs/dbraw/zinc/55/49/75/1315554975.db2.gz HDFMLOIXULSBGK-NVXWUHKLSA-N 1 0 339.476 2.824 20 10 EFCDRO CCCC[C@@H](CC)COC[C@H](O)C[NH2+]Cc1cccc(O)c1O ZINC001253025536 1315556138 /nfs/dbraw/zinc/55/61/38/1315556138.db2.gz MRSDVLCAVRKDIE-GDBMZVCRSA-N 1 0 325.449 2.781 20 10 EFCDRO CCCC[C@@H](CC)COC[C@@H](O)C[NH2+]Cc1cccc(O)c1O ZINC001253025539 1315556173 /nfs/dbraw/zinc/55/61/73/1315556173.db2.gz MRSDVLCAVRKDIE-ZBFHGGJFSA-N 1 0 325.449 2.781 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cscn3)C[C@@H]2C)cc1C ZINC001054481470 1315561097 /nfs/dbraw/zinc/56/10/97/1315561097.db2.gz JULOSCKJNAUWBI-DZGCQCFKSA-N 1 0 345.468 2.710 20 10 EFCDRO Oc1cccc2c1C[N@H+](C[C@H](O)CCOCc1ccccc1)CC2 ZINC001253272312 1315587334 /nfs/dbraw/zinc/58/73/34/1315587334.db2.gz KKJABHXPWATLLP-GOSISDBHSA-N 1 0 327.424 2.718 20 10 EFCDRO COc1ccc(C[NH2+]C[C@](C)(O)C(=O)OCc2ccccc2)cc1C ZINC001253660133 1315625162 /nfs/dbraw/zinc/62/51/62/1315625162.db2.gz GNZBRVWNWOIQNE-FQEVSTJZSA-N 1 0 343.423 2.588 20 10 EFCDRO CCOc1ccc(N2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC001253853005 1315648440 /nfs/dbraw/zinc/64/84/40/1315648440.db2.gz JKLFUYANQAEILY-CALCHBBNSA-N 1 0 345.487 2.607 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCc3cccc(O)c3C2)CC1=O ZINC001254257678 1315687769 /nfs/dbraw/zinc/68/77/69/1315687769.db2.gz XQFPMJZSQGEXFV-CQSZACIVSA-N 1 0 346.427 2.676 20 10 EFCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254259661 1315688737 /nfs/dbraw/zinc/68/87/37/1315688737.db2.gz STYGZIGZHIAUBI-CQSZACIVSA-N 1 0 334.416 2.750 20 10 EFCDRO COc1ccc(N2CCN([C@@H]3CC4CC[NH+](CC4)C3)CC2)c(C)c1 ZINC001254869418 1315752950 /nfs/dbraw/zinc/75/29/50/1315752950.db2.gz VRMDZLYPTUHMMH-GOSISDBHSA-N 1 0 329.488 2.610 20 10 EFCDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+]Cc3ccc(O)cc3O)C[C@@H]2C1 ZINC001254890897 1315755809 /nfs/dbraw/zinc/75/58/09/1315755809.db2.gz JZOITILNFFUJRH-QDMKHBRRSA-N 1 0 348.443 2.833 20 10 EFCDRO COc1ccc(N2CC[NH+](C3C[C@H]4CC(=O)C[C@@H]4C3)CC2)c(C)c1 ZINC001254963959 1315766040 /nfs/dbraw/zinc/76/60/40/1315766040.db2.gz MUBLZNXATLAAEK-HOTGVXAUSA-N 1 0 328.456 2.883 20 10 EFCDRO CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001255375691 1315812214 /nfs/dbraw/zinc/81/22/14/1315812214.db2.gz BYQUCYXRNWHJER-GDBMZVCRSA-N 1 0 333.428 2.968 20 10 EFCDRO COc1cccc2c1CC[C@H]([NH2+]CCc1cc(O)c(O)cc1O)C2 ZINC001256634164 1315973316 /nfs/dbraw/zinc/97/33/16/1315973316.db2.gz MBSNQUZOYWCUAE-AWEZNQCLSA-N 1 0 329.396 2.502 20 10 EFCDRO COc1ccc(N2CC[NH+](C[C@H](O)[C@H](C)c3ccccc3)CC2)cc1 ZINC000827311383 1315977587 /nfs/dbraw/zinc/97/75/87/1315977587.db2.gz ZDSFHKNVJKRWND-UTKZUKDTSA-N 1 0 340.467 2.982 20 10 EFCDRO Oc1ccc([C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)cc1O ZINC001256782855 1315990795 /nfs/dbraw/zinc/99/07/95/1315990795.db2.gz SDTRTCHJRNFKAY-ATZDWAIDSA-N 1 0 329.396 2.641 20 10 EFCDRO CN(c1ccc(CNC(=O)[C@]2(F)CC[NH2+]C2)cc1)C1CCCCC1 ZINC000827820898 1316019841 /nfs/dbraw/zinc/01/98/41/1316019841.db2.gz GHEZCJCREYXNOP-IBGZPJMESA-N 1 0 333.451 2.773 20 10 EFCDRO CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCN(c3ccc(OCC)cc3)CC2)C1 ZINC001257073247 1316030548 /nfs/dbraw/zinc/03/05/48/1316030548.db2.gz YKVIAVRRPHSYHT-AEFFLSMTSA-N 1 0 346.471 2.939 20 10 EFCDRO C[C@H](CC(=O)NCc1ccc2c(c1)CCCN2C)[C@H]1CCC[NH2+]C1 ZINC000827913845 1316031049 /nfs/dbraw/zinc/03/10/49/1316031049.db2.gz PYFUOPDIEFKVQP-QAPCUYQASA-N 1 0 329.488 2.711 20 10 EFCDRO CCOC(=O)CCC[C@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001258116048 1316119654 /nfs/dbraw/zinc/11/96/54/1316119654.db2.gz BALMQKYTXKDNJK-INIZCTEOSA-N 1 0 334.460 2.939 20 10 EFCDRO O=C1CC[C@@H]([NH2+]Cc2ccc(O)cc2O)CCN1Cc1ccccc1 ZINC001258570037 1316163457 /nfs/dbraw/zinc/16/34/57/1316163457.db2.gz GVEYTIKXPQDUFJ-QGZVFWFLSA-N 1 0 340.423 2.769 20 10 EFCDRO CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1C ZINC001072102650 1316357616 /nfs/dbraw/zinc/35/76/16/1316357616.db2.gz QCHVQIPGZVAAGJ-WFASDCNBSA-N 1 0 331.420 2.842 20 10 EFCDRO C[C@@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[N@@H+]1CCCF ZINC001072102267 1316357644 /nfs/dbraw/zinc/35/76/44/1316357644.db2.gz NXGTWICFYUMUOM-DOMZBBRYSA-N 1 0 349.410 2.791 20 10 EFCDRO COCC(C)(C)[NH+]1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001261441593 1316412243 /nfs/dbraw/zinc/41/22/43/1316412243.db2.gz QIQIUVBEZZPJGK-UHFFFAOYSA-N 1 0 331.504 2.829 20 10 EFCDRO CCCN(C(=O)NCc1ccc(N(C)C)cc1C)[C@@H]1CC[N@H+](C)C1 ZINC001261453410 1316413025 /nfs/dbraw/zinc/41/30/25/1316413025.db2.gz FIACTUMVUSKVHD-GOSISDBHSA-N 1 0 332.492 2.687 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C)Cc3ccccc32)c(O)c1OC ZINC001262364529 1316464217 /nfs/dbraw/zinc/46/42/17/1316464217.db2.gz ZSXUGNIQMAOYCP-MRXNPFEDSA-N 1 0 328.412 2.686 20 10 EFCDRO CN(C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)c1ccc(N)cc1 ZINC001263168029 1316520071 /nfs/dbraw/zinc/52/00/71/1316520071.db2.gz BRARWAALKLOOOL-AWNIVKPZSA-N 1 0 339.439 2.885 20 10 EFCDRO Nc1ccc(CC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000382425568 1316554573 /nfs/dbraw/zinc/55/45/73/1316554573.db2.gz CTSWNFZKWJOMDH-VQTJNVASSA-N 1 0 349.478 2.792 20 10 EFCDRO CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]21 ZINC001042371670 1317230442 /nfs/dbraw/zinc/23/04/42/1317230442.db2.gz UJJKEQDRUGJTRQ-BBRMVZONSA-N 1 0 343.431 2.795 20 10 EFCDRO CC[C@@H]1CCO[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001281721636 1318554750 /nfs/dbraw/zinc/55/47/50/1318554750.db2.gz DCKRVDGHQAGTLK-WDYCEAGBSA-N 1 0 348.487 2.803 20 10 EFCDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCCCSc1nccs1 ZINC001319178210 1328798034 /nfs/dbraw/zinc/79/80/34/1328798034.db2.gz SCOGOWPDJVQRLQ-QWHCGFSZSA-N 1 0 342.534 2.797 20 10 EFCDRO CCOC(=O)CCCC[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001319613276 1328929071 /nfs/dbraw/zinc/92/90/71/1328929071.db2.gz TXMWNXFOULOALL-UHFFFAOYSA-N 1 0 334.460 2.941 20 10 EFCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CCS1 ZINC001319711898 1328959702 /nfs/dbraw/zinc/95/97/02/1328959702.db2.gz KAERGJUXDKSDQQ-INIZCTEOSA-N 1 0 337.508 2.905 20 10 EFCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[nH]n1 ZINC000738430718 1321980173 /nfs/dbraw/zinc/98/01/73/1321980173.db2.gz IWMYHAFMQHWJFR-UHFFFAOYSA-N 1 0 329.404 2.906 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CCO)C2CC2)ccc1N1CCCCC1 ZINC000741258534 1322368006 /nfs/dbraw/zinc/36/80/06/1322368006.db2.gz NQRYDMLCNKKETR-INIZCTEOSA-N 1 0 333.432 2.836 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3CCC(F)(F)C3)cc2F)CC1 ZINC001320080452 1329070898 /nfs/dbraw/zinc/07/08/98/1329070898.db2.gz BKROCYQRBDATNP-CQSZACIVSA-N 1 0 327.394 2.855 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+][C@@]3(C)CCO[C@H]3C3CC3)cc2F)CC1 ZINC001320172384 1329100263 /nfs/dbraw/zinc/10/02/63/1329100263.db2.gz BVBOEOXMZUHCFZ-PMACEKPBSA-N 1 0 347.478 2.625 20 10 EFCDRO CC(C)CNC(=O)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC001320423736 1329128347 /nfs/dbraw/zinc/12/83/47/1329128347.db2.gz AWXOPFBVTGTFLI-SNVBAGLBSA-N 1 0 329.238 2.578 20 10 EFCDRO CC[N@@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)C[C@H]1CCCO1 ZINC001320487032 1329143800 /nfs/dbraw/zinc/14/38/00/1329143800.db2.gz KXFLQHUPKQREBS-QGZVFWFLSA-N 1 0 335.467 2.578 20 10 EFCDRO COCCC1([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCC1 ZINC001339619960 1324885898 /nfs/dbraw/zinc/88/58/98/1324885898.db2.gz ZVFVLTLYZSTBCX-UHFFFAOYSA-N 1 0 335.467 2.626 20 10 EFCDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H](CO)CC1CCOCC1 ZINC001320900795 1329316678 /nfs/dbraw/zinc/31/66/78/1329316678.db2.gz RDWMKIWFOCTFOQ-GFCCVEGCSA-N 1 0 331.815 2.700 20 10 EFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC001321022687 1329332568 /nfs/dbraw/zinc/33/25/68/1329332568.db2.gz HQUAIPLPLFJUAS-CZUORRHYSA-N 1 0 340.423 2.903 20 10 EFCDRO CCOc1ccc(N2CC[NH+](CCCSCCOC)CC2)cc1 ZINC001321326238 1329373420 /nfs/dbraw/zinc/37/34/20/1329373420.db2.gz IAVCKAQVHLXHCK-UHFFFAOYSA-N 1 0 338.517 2.977 20 10 EFCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@H](C)C1 ZINC001321674075 1329402482 /nfs/dbraw/zinc/40/24/82/1329402482.db2.gz KXGSZTXTLXOFSH-NVXWUHKLSA-N 1 0 335.467 2.577 20 10 EFCDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001322338441 1329449046 /nfs/dbraw/zinc/44/90/46/1329449046.db2.gz KHYPVVCSJTZLMQ-WMZOPIPTSA-N 1 0 349.494 2.703 20 10 EFCDRO CN1CCN(c2ccc(C[N@H+](C)C3CCC(CO)CC3)cc2F)CC1 ZINC001324035706 1329593047 /nfs/dbraw/zinc/59/30/47/1329593047.db2.gz UQGYVYWXCGCENV-UHFFFAOYSA-N 1 0 349.494 2.560 20 10 EFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2CCC(CO)CC2)c1O ZINC001324125685 1329601692 /nfs/dbraw/zinc/60/16/92/1329601692.db2.gz OYRIFUUUBBRJPC-ZDUSSCGKSA-N 1 0 326.868 2.709 20 10 EFCDRO CS(=O)(=O)CC1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCC1 ZINC001325589795 1329699281 /nfs/dbraw/zinc/69/92/81/1329699281.db2.gz BJCDQVICMXQAPL-UHFFFAOYSA-N 1 0 336.501 2.591 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+]C[C@@]3(O)CCCC3(C)C)cc2F)CC1 ZINC001326260468 1329742471 /nfs/dbraw/zinc/74/24/71/1329742471.db2.gz YCQXSUJUQZYFDO-FQEVSTJZSA-N 1 0 349.494 2.608 20 10 EFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]([NH3+])C3CCCCC3)C2)cc1 ZINC001326315732 1329746582 /nfs/dbraw/zinc/74/65/82/1329746582.db2.gz BNDBGCOSJHGTFR-KXBFYZLASA-N 1 0 345.487 2.545 20 10 EFCDRO O=C(NCc1c(O)ccc2c1CCCC2)c1ccn(-c2cc[nH+]cc2)n1 ZINC001326461488 1329758459 /nfs/dbraw/zinc/75/84/59/1329758459.db2.gz TVZIPSPRXYXVJU-UHFFFAOYSA-N 1 0 348.406 2.782 20 10 EFCDRO COCC1(CC[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCC1 ZINC001327868817 1330524673 /nfs/dbraw/zinc/52/46/73/1330524673.db2.gz MRSYSARCMJMEJP-UHFFFAOYSA-N 1 0 349.494 2.874 20 10 EFCDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3ccc(N)cc3)CC2)cc1 ZINC001329254249 1330686264 /nfs/dbraw/zinc/68/62/64/1330686264.db2.gz XTSLJSWQAFHRND-UHFFFAOYSA-N 1 0 337.467 2.854 20 10 EFCDRO COC(=O)C1(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCCC1 ZINC001331271001 1330813189 /nfs/dbraw/zinc/81/31/89/1330813189.db2.gz IQINGOKWDGGZSC-UHFFFAOYSA-N 1 0 326.387 2.854 20 10 EFCDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC001331414369 1330834564 /nfs/dbraw/zinc/83/45/64/1330834564.db2.gz UCJNAGKTFQWSFN-MRXNPFEDSA-N 1 0 326.444 2.703 20 10 EFCDRO O=C(NCCC[NH2+]Cc1c(O)cccc1Br)C1CCC1 ZINC001331499326 1330844031 /nfs/dbraw/zinc/84/40/31/1330844031.db2.gz SBARFQLLRQTXGS-UHFFFAOYSA-N 1 0 341.249 2.551 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ccc4c(n3)CCC4=O)cc2)CC1 ZINC001331924669 1330891622 /nfs/dbraw/zinc/89/16/22/1330891622.db2.gz JLOZLZDFXQYDGQ-UHFFFAOYSA-N 1 0 336.439 2.574 20 10 EFCDRO CCCN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC001332086604 1330916306 /nfs/dbraw/zinc/91/63/06/1330916306.db2.gz BPSMXFHNPWRIPU-LJQANCHMSA-N 1 0 342.487 2.689 20 10 EFCDRO COc1ccc(C[NH2+]CCC2CCOCC2)cc1Cn1cccn1 ZINC001332385621 1330966290 /nfs/dbraw/zinc/96/62/90/1330966290.db2.gz SLZBHIFIKVTXTC-UHFFFAOYSA-N 1 0 329.444 2.846 20 10 EFCDRO C[C@@H](NC(=O)[C@H]([NH3+])C1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC001332516831 1330979724 /nfs/dbraw/zinc/97/97/24/1330979724.db2.gz MNBPQGGLHITDGQ-DNVCBOLYSA-N 1 0 345.487 2.608 20 10 EFCDRO Cc1c([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cnn1C ZINC001333319596 1331115321 /nfs/dbraw/zinc/11/53/21/1331115321.db2.gz HVFOGAYAMYGNHX-AWEZNQCLSA-N 1 0 328.460 2.540 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[C@H](F)C3)cc2)CC1 ZINC001333488630 1331153779 /nfs/dbraw/zinc/15/37/79/1331153779.db2.gz JFIZTLNIESTSDE-DLBZAZTESA-N 1 0 348.466 2.518 20 10 EFCDRO COc1cc(OC)cc(N2CCC[N@H+](Cc3ccc(N)cc3)CC2)c1 ZINC001334753618 1331300685 /nfs/dbraw/zinc/30/06/85/1331300685.db2.gz HLEORBSEFIQMPA-UHFFFAOYSA-N 1 0 341.455 2.998 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)nc1 ZINC001335431098 1331346636 /nfs/dbraw/zinc/34/66/36/1331346636.db2.gz ALUGAGDBBBFNER-UHFFFAOYSA-N 1 0 341.455 2.589 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H](CC[NH3+])C2)cc1F ZINC001335474901 1331354873 /nfs/dbraw/zinc/35/48/73/1331354873.db2.gz AHCLMCBEDHASSD-AWEZNQCLSA-N 1 0 336.455 2.552 20 10 EFCDRO Nc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC001335559627 1331373703 /nfs/dbraw/zinc/37/37/03/1331373703.db2.gz JNOGPZWBLSZKLH-SFHVURJKSA-N 1 0 330.476 2.865 20 10 EFCDRO Cc1nc(CN2CCC(C[NH2+]Cc3ccc(N)cc3)CC2)oc1C ZINC001336116054 1331436748 /nfs/dbraw/zinc/43/67/48/1331436748.db2.gz AUALDUBXZIYWQL-UHFFFAOYSA-N 1 0 328.460 2.875 20 10 EFCDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NCc3ccc(N)cc3)C2)cc1 ZINC001336160018 1331441111 /nfs/dbraw/zinc/44/11/11/1331441111.db2.gz QKYVWFIAVNBPNJ-LJQANCHMSA-N 1 0 338.455 2.651 20 10 EFCDRO Nc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)cc1 ZINC001336286212 1331455211 /nfs/dbraw/zinc/45/52/11/1331455211.db2.gz PBAWJGFJPBWTNV-IBGZPJMESA-N 1 0 326.440 2.889 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@H](C)C(=O)NCC(F)(F)F)cc1C ZINC001336721830 1331496381 /nfs/dbraw/zinc/49/63/81/1331496381.db2.gz QOXUHYKWXBYCLU-GFCCVEGCSA-N 1 0 332.366 2.940 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2OCCc3ccccc32)c(O)c1OC ZINC001336722285 1331496410 /nfs/dbraw/zinc/49/64/10/1331496410.db2.gz OMRZEWSLEJNRGI-KRWDZBQOSA-N 1 0 329.396 2.813 20 10 EFCDRO Nc1ccc(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC001336734705 1331497987 /nfs/dbraw/zinc/49/79/87/1331497987.db2.gz CJAYVDQMPTTYAM-LJQANCHMSA-N 1 0 338.455 2.905 20 10 EFCDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCc2ccc(N)cc2)C1 ZINC001336752874 1331499748 /nfs/dbraw/zinc/49/97/48/1331499748.db2.gz BFFPTPPZMBYYOB-HUUCEWRRSA-N 1 0 332.492 2.825 20 10 EFCDRO CC[C@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC001337294853 1331558394 /nfs/dbraw/zinc/55/83/94/1331558394.db2.gz TXDIQFQPGYSVIH-FZMZJTMJSA-N 1 0 331.382 2.860 20 10 EFCDRO C[C@H]([NH2+]CCN1C(=O)COc2ccccc21)c1cc(F)ccc1O ZINC001337796460 1331599587 /nfs/dbraw/zinc/59/95/87/1331599587.db2.gz UUGWIHJEUOBJFX-LBPRGKRZSA-N 1 0 330.359 2.608 20 10 EFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC001337796058 1331599682 /nfs/dbraw/zinc/59/96/82/1331599682.db2.gz OGZUGMVQRZUHLY-VWYCJHECSA-N 1 0 330.350 2.906 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CC[NH+](C(C)(C)C)CC2)cc1F ZINC001338021491 1331636477 /nfs/dbraw/zinc/63/64/77/1331636477.db2.gz LJRXQYXXOSJRBO-UHFFFAOYSA-N 1 0 336.455 2.517 20 10 EFCDRO Fc1cc(C[NH2+]C2(C3CC3)CCOCC2)ccc1N1CCOCC1 ZINC001338022749 1331636921 /nfs/dbraw/zinc/63/69/21/1331636921.db2.gz ZPWOMMHGAHZGBA-UHFFFAOYSA-N 1 0 334.435 2.711 20 10 EFCDRO C[C@@H](NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC001338359867 1331697955 /nfs/dbraw/zinc/69/79/55/1331697955.db2.gz XZUGVLUXWMZEBX-CRAIPNDOSA-N 1 0 330.476 2.693 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(N)cc1 ZINC001338580603 1331717863 /nfs/dbraw/zinc/71/78/63/1331717863.db2.gz AUPSQVBNZKDCRA-DNVCBOLYSA-N 1 0 338.455 2.589 20 10 EFCDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001338734679 1331731263 /nfs/dbraw/zinc/73/12/63/1331731263.db2.gz FDCFWCYZCZDPGM-GQIGUUNPSA-N 1 0 349.494 2.559 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)ccc21 ZINC001341424913 1332258802 /nfs/dbraw/zinc/25/88/02/1332258802.db2.gz YHXBGFNNMJOLKK-BPQIPLTHSA-N 1 0 341.455 2.527 20 10 EFCDRO Cc1nn(CCO)c(C)c1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC001341523249 1332264965 /nfs/dbraw/zinc/26/49/65/1332264965.db2.gz KSRNPIRHUKLTMR-UHFFFAOYSA-N 1 0 344.503 2.969 20 10 EFCDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001341569625 1332268634 /nfs/dbraw/zinc/26/86/34/1332268634.db2.gz RQKYCKSGFTUKIA-KRWDZBQOSA-N 1 0 334.485 2.767 20 10 EFCDRO Fc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)ccc1N1CCOCC1 ZINC001341567789 1332268681 /nfs/dbraw/zinc/26/86/81/1332268681.db2.gz LFPNVVKWFDXLQF-LPHOPBHVSA-N 1 0 334.435 2.663 20 10 EFCDRO CCOc1ccc(N2CC[NH+](CCCn3ccnc3C)CC2)cc1 ZINC001341586074 1332269524 /nfs/dbraw/zinc/26/95/24/1332269524.db2.gz GMCBRSXZJKSQAG-UHFFFAOYSA-N 1 0 328.460 2.803 20 10 EFCDRO OC[C@]1([C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C2CC2)CCCO1 ZINC001343972233 1332394382 /nfs/dbraw/zinc/39/43/82/1332394382.db2.gz BXMSVXOAKZFWBL-PMACEKPBSA-N 1 0 330.472 2.697 20 10 EFCDRO OC[C@@]1([C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C2CC2)CCCO1 ZINC001343972239 1332394665 /nfs/dbraw/zinc/39/46/65/1332394665.db2.gz BXMSVXOAKZFWBL-WOJBJXKFSA-N 1 0 330.472 2.697 20 10 EFCDRO C[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1F ZINC001345811385 1332575365 /nfs/dbraw/zinc/57/53/65/1332575365.db2.gz HOQVMYTXHAFFCZ-XIKOKIGWSA-N 1 0 347.409 2.951 20 10 EFCDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(N)cc1)c1ccco1 ZINC001346634247 1332665230 /nfs/dbraw/zinc/66/52/30/1332665230.db2.gz UYJXNINWHJZELB-INIZCTEOSA-N 1 0 330.432 2.744 20 10 EFCDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(N)cc1)c1ccco1 ZINC001346634248 1332665268 /nfs/dbraw/zinc/66/52/68/1332665268.db2.gz UYJXNINWHJZELB-MRXNPFEDSA-N 1 0 330.432 2.744 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001346702789 1332675535 /nfs/dbraw/zinc/67/55/35/1332675535.db2.gz ZBJQBFAILUNNGS-KRWDZBQOSA-N 1 0 332.492 2.816 20 10 EFCDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)NCc2ccc(N)cc2)c1 ZINC001346738746 1332680657 /nfs/dbraw/zinc/68/06/57/1332680657.db2.gz KCYXYMVZCOUPSF-UHFFFAOYSA-N 1 0 340.471 2.851 20 10 EFCDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001346739084 1332680692 /nfs/dbraw/zinc/68/06/92/1332680692.db2.gz MTZIUAGOWHZGQT-LJQANCHMSA-N 1 0 338.455 2.685 20 10 EFCDRO CC(C)OCCC[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001347781239 1332772750 /nfs/dbraw/zinc/77/27/50/1332772750.db2.gz DUUNOFWUAVEHCU-UHFFFAOYSA-N 1 0 337.483 2.824 20 10 EFCDRO FC(F)(F)[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)n1cncn1 ZINC001348550805 1332847503 /nfs/dbraw/zinc/84/75/03/1332847503.db2.gz WGZJGRRNWGOEHQ-HNNXBMFYSA-N 1 0 339.365 2.772 20 10 EFCDRO C[C@@H](Cc1c[nH]cn1)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000847324761 1333548870 /nfs/dbraw/zinc/54/88/70/1333548870.db2.gz WHYVIOQLEKKNKK-AWEZNQCLSA-N 1 0 326.444 2.846 20 10 EFCDRO CC[C@@H](C)OCC(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001200131359 1333722439 /nfs/dbraw/zinc/72/24/39/1333722439.db2.gz WXELYDOOSZCHDO-MRXNPFEDSA-N 1 0 348.487 2.899 20 10 EFCDRO COc1ccc(C)cc1CN1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001352786922 1333728624 /nfs/dbraw/zinc/72/86/24/1333728624.db2.gz BMBAZBOFXNEBPX-UHFFFAOYSA-N 1 0 325.456 2.904 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)/C=C/C3CC3)C2)cc1C ZINC001100218640 1333913147 /nfs/dbraw/zinc/91/31/47/1333913147.db2.gz DMXSPGFBMUFYKJ-SOFGYWHQSA-N 1 0 328.456 2.954 20 10 EFCDRO COc1ccc(CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000848022657 1334167644 /nfs/dbraw/zinc/16/76/44/1334167644.db2.gz GJHSLTLQHHFGKR-KRWDZBQOSA-N 1 0 340.423 2.539 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)cc2)CC1 ZINC000848413247 1334712479 /nfs/dbraw/zinc/71/24/79/1334712479.db2.gz AWDQTEJVLWAAPQ-TZIWHRDSSA-N 1 0 341.499 2.929 20 10 EFCDRO COc1ccc(C[NH2+]CCN(C)Cc2ccc(F)cc2)c(O)c1OC ZINC001355264600 1334726686 /nfs/dbraw/zinc/72/66/86/1334726686.db2.gz KKIGXVYXBDHSGH-UHFFFAOYSA-N 1 0 348.418 2.770 20 10 EFCDRO OCC1CCN(c2ccc(C[NH2+][C@H]3CCCn4ccnc43)cc2)CC1 ZINC000848526589 1334775254 /nfs/dbraw/zinc/77/52/54/1334775254.db2.gz BRCHDSVIDJAHIQ-IBGZPJMESA-N 1 0 340.471 2.717 20 10 EFCDRO Cc1ncncc1[C@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000848526803 1334775342 /nfs/dbraw/zinc/77/53/42/1334775342.db2.gz IEHCAZOVAOINJL-HNNXBMFYSA-N 1 0 340.471 2.845 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cncnc3C)C2)cc1 ZINC000848553489 1334791328 /nfs/dbraw/zinc/79/13/28/1334791328.db2.gz OCFAUXLBLHEMFE-HOCLYGCPSA-N 1 0 326.444 2.971 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCCn4ccnc43)C2)cc1 ZINC000848553102 1334791376 /nfs/dbraw/zinc/79/13/76/1334791376.db2.gz IHNVQSJWYHKMNQ-YJBOKZPZSA-N 1 0 326.444 2.843 20 10 EFCDRO C[C@H](Cc1ccccn1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000848567321 1334798248 /nfs/dbraw/zinc/79/82/48/1334798248.db2.gz SMFKQIDOXYNHQE-OAHLLOKOSA-N 1 0 329.419 2.778 20 10 EFCDRO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000848574821 1334802799 /nfs/dbraw/zinc/80/27/99/1334802799.db2.gz IYONOYYWVDAAGP-ZDUSSCGKSA-N 1 0 329.352 2.743 20 10 EFCDRO CCc1cccc(C[N@H+](C)C[C@H](O)COCc2ccccc2)c1O ZINC000848883511 1334959326 /nfs/dbraw/zinc/95/93/26/1334959326.db2.gz OZUFDCMMUKWMHO-IBGZPJMESA-N 1 0 329.440 2.964 20 10 EFCDRO CCc1cccc(C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c1O ZINC000848898627 1334970049 /nfs/dbraw/zinc/97/00/49/1334970049.db2.gz FMPOKSGVPMUKEQ-ZDUSSCGKSA-N 1 0 330.350 2.598 20 10 EFCDRO CCc1cccc(C[NH+]2CCN(c3nc(C)cc(C)n3)CC2)c1O ZINC000848902777 1334973103 /nfs/dbraw/zinc/97/31/03/1334973103.db2.gz SJSZXOVOUZKVQH-UHFFFAOYSA-N 1 0 326.444 2.684 20 10 EFCDRO CCc1cccc(C[NH2+][C@](C)(CC(=O)OC)c2ccncc2)c1O ZINC000848903815 1334974682 /nfs/dbraw/zinc/97/46/82/1334974682.db2.gz DWCGGSOMGQFDOK-LJQANCHMSA-N 1 0 328.412 2.918 20 10 EFCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1O ZINC000848913314 1334982024 /nfs/dbraw/zinc/98/20/24/1334982024.db2.gz UBDVXMDUFIRNTJ-LBPRGKRZSA-N 1 0 344.377 2.845 20 10 EFCDRO CCc1cccc(C[NH2+][C@@H](C)C(=O)NCCc2ccccc2)c1O ZINC000848915294 1334982926 /nfs/dbraw/zinc/98/29/26/1334982926.db2.gz VGEBOBLAIXAQTR-HNNXBMFYSA-N 1 0 326.440 2.792 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)cc1F ZINC000848918586 1334985226 /nfs/dbraw/zinc/98/52/26/1334985226.db2.gz DYEDMJJRXAEVHY-QGZVFWFLSA-N 1 0 333.451 2.628 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000848930057 1334994781 /nfs/dbraw/zinc/99/47/81/1334994781.db2.gz NECCZDVQOOAXSE-IBGZPJMESA-N 1 0 331.504 2.748 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)Cc2cccnc2)cc1C ZINC001503162842 1404470159 /nfs/dbraw/zinc/47/01/59/1404470159.db2.gz WVJGSWBHGVKNOB-INIZCTEOSA-N 1 0 341.455 2.626 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cc(C)on2)cc1C ZINC001724990731 1425201860 /nfs/dbraw/zinc/20/18/60/1425201860.db2.gz JIUNOJOLMDKVAE-ZDUSSCGKSA-N 1 0 331.416 2.598 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3(F)CCCC3)C2)cc1C ZINC000969152374 712941824 /nfs/dbraw/zinc/94/18/24/712941824.db2.gz PSNMIWQZXZWNGH-MRXNPFEDSA-N 1 0 334.435 2.976 20 10 EFCDRO CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000969158892 712944316 /nfs/dbraw/zinc/94/43/16/712944316.db2.gz UVMRTKNWGODKAE-HNNXBMFYSA-N 1 0 331.420 2.843 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C)C(F)(F)F)C2)cc1C ZINC000969614145 713186646 /nfs/dbraw/zinc/18/66/46/713186646.db2.gz ZTEIXUGBFLJXAR-GXTWGEPZSA-N 1 0 344.377 2.893 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C)C(C)(F)F)C2)cc1C ZINC000969989653 713336204 /nfs/dbraw/zinc/33/62/04/713336204.db2.gz OYRFKHKAMQWZKS-DZGCQCFKSA-N 1 0 340.414 2.985 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C3CC3)C2)cc1C ZINC001020721218 713371462 /nfs/dbraw/zinc/37/14/62/713371462.db2.gz JOUYXXAYRUAXPV-XLAORIBOSA-N 1 0 328.456 2.787 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3nc(C)oc3C)C2)cc1C ZINC001020807456 713404803 /nfs/dbraw/zinc/40/48/03/713404803.db2.gz OXBRPJXGDAQKBH-WKILWMFISA-N 1 0 343.427 2.659 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3c[nH]cc3C)C2)cc1C ZINC001021043785 713530716 /nfs/dbraw/zinc/53/07/16/713530716.db2.gz FATSRQCXZIBKHF-WKILWMFISA-N 1 0 327.428 2.691 20 10 EFCDRO CC1CC[NH+](CCNC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000049203141 714132223 /nfs/dbraw/zinc/13/22/23/714132223.db2.gz BTPBWIBZSHDAFV-UHFFFAOYSA-N 1 0 344.503 2.818 20 10 EFCDRO CC(C)n1cnc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891246297 714133263 /nfs/dbraw/zinc/13/32/63/714133263.db2.gz BXKKCTSLHSFUPZ-GOSISDBHSA-N 1 0 343.475 2.563 20 10 EFCDRO C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)(F)F ZINC000891246295 714133272 /nfs/dbraw/zinc/13/32/72/714133272.db2.gz BXJYHBKTOFAERV-SWLSCSKDSA-N 1 0 327.419 2.763 20 10 EFCDRO Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)ccc1O ZINC000891246393 714133553 /nfs/dbraw/zinc/13/35/53/714133553.db2.gz BZCVZDXPCQCADC-SFHVURJKSA-N 1 0 341.455 2.799 20 10 EFCDRO CCC[C@@H](OCC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248258 714137521 /nfs/dbraw/zinc/13/75/21/714137521.db2.gz XFULUQMRSQUZRE-ZWKOTPCHSA-N 1 0 335.492 2.677 20 10 EFCDRO C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccccn1 ZINC000891249800 714139197 /nfs/dbraw/zinc/13/91/97/714139197.db2.gz SXBKZTSTNVIXBL-DNVCBOLYSA-N 1 0 340.471 2.670 20 10 EFCDRO C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccccn1 ZINC000891249802 714139326 /nfs/dbraw/zinc/13/93/26/714139326.db2.gz SXBKZTSTNVIXBL-HNAYVOBHSA-N 1 0 340.471 2.670 20 10 EFCDRO CCc1occc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249810 714139354 /nfs/dbraw/zinc/13/93/54/714139354.db2.gz SYEGHBZFAXJHKW-QGZVFWFLSA-N 1 0 329.444 2.941 20 10 EFCDRO COCC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCCC1 ZINC000891249833 714139381 /nfs/dbraw/zinc/13/93/81/714139381.db2.gz TXIRCVYMZYZQTO-SFHVURJKSA-N 1 0 347.503 2.678 20 10 EFCDRO Cc1coc(C)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249865 714139455 /nfs/dbraw/zinc/13/94/55/714139455.db2.gz UEMALSAYVUBUDW-KRWDZBQOSA-N 1 0 329.444 2.995 20 10 EFCDRO CC[C@@H]1C[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCO1 ZINC000891249890 714139488 /nfs/dbraw/zinc/13/94/88/714139488.db2.gz XNZUOKSYVAVFBG-QXAKKESOSA-N 1 0 347.503 2.677 20 10 EFCDRO COCCC[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248758 714139880 /nfs/dbraw/zinc/13/98/80/714139880.db2.gz NUGPDGHXDVIHLN-CRAIPNDOSA-N 1 0 335.492 2.534 20 10 EFCDRO C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(F)(F)F ZINC000891250485 714140809 /nfs/dbraw/zinc/14/08/09/714140809.db2.gz AGQZMPHWMVFSSH-SMDDNHRTSA-N 1 0 331.382 2.670 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)C2CCSCC2)[NH+](C)C)cc1 ZINC000891251944 714142489 /nfs/dbraw/zinc/14/24/89/714142489.db2.gz IILJIYRGSYFSNU-KRWDZBQOSA-N 1 0 335.517 2.615 20 10 EFCDRO COc1ccsc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252670 714145415 /nfs/dbraw/zinc/14/54/15/714145415.db2.gz MBJTWPURKBZIPQ-HNNXBMFYSA-N 1 0 347.484 2.855 20 10 EFCDRO CC(C)n1nccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252429 714145664 /nfs/dbraw/zinc/14/56/64/714145664.db2.gz LFBCHWUEIPUXSN-SFHVURJKSA-N 1 0 343.475 2.563 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)CCC2CCOCC2)[NH+](C)C)cc1 ZINC000891253116 714146247 /nfs/dbraw/zinc/14/62/47/714146247.db2.gz QTZZUHRYQKHOKP-LJQANCHMSA-N 1 0 347.503 2.678 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2Cc3ccccc32)[NH+](C)C)cc1 ZINC000891253178 714146478 /nfs/dbraw/zinc/14/64/78/714146478.db2.gz RFTCOCQAMPHGJX-VQTJNVASSA-N 1 0 337.467 2.811 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2Cc3ccccc32)[NH+](C)C)cc1 ZINC000891253180 714146535 /nfs/dbraw/zinc/14/65/35/714146535.db2.gz RFTCOCQAMPHGJX-WOJBJXKFSA-N 1 0 337.467 2.811 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)cn2)[NH+](C)C)cc1 ZINC000891252364 714146850 /nfs/dbraw/zinc/14/68/50/714146850.db2.gz JYNSMLBWZKMHQT-KRWDZBQOSA-N 1 0 346.862 2.834 20 10 EFCDRO COCCC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCC1 ZINC000891253862 714148048 /nfs/dbraw/zinc/14/80/48/714148048.db2.gz UYSMWYRFAAMIGA-GOSISDBHSA-N 1 0 347.503 2.678 20 10 EFCDRO Cc1ncsc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891256535 714150948 /nfs/dbraw/zinc/15/09/48/714150948.db2.gz ZEDMNCSJAGUKIJ-HNNXBMFYSA-N 1 0 332.473 2.550 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)c[nH]2)[NH+](C)C)cc1 ZINC000891256512 714150965 /nfs/dbraw/zinc/15/09/65/714150965.db2.gz YWVWZKSRLVUBEM-INIZCTEOSA-N 1 0 334.851 2.767 20 10 EFCDRO Cc1ncsc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891256537 714151046 /nfs/dbraw/zinc/15/10/46/714151046.db2.gz ZEDMNCSJAGUKIJ-OAHLLOKOSA-N 1 0 332.473 2.550 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(C3CC3)on2)[NH+](C)C)cc1 ZINC000891255437 714151780 /nfs/dbraw/zinc/15/17/80/714151780.db2.gz PFGSPLGDOQBXBF-QGZVFWFLSA-N 1 0 342.443 2.651 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCN(C3CC3)C2)ccc1N1CCCCC1 ZINC000729681519 714167054 /nfs/dbraw/zinc/16/70/54/714167054.db2.gz AXPVCEGEJAARQB-MRXNPFEDSA-N 1 0 344.459 2.911 20 10 EFCDRO C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1C[NH+](CC2CCC2)C1 ZINC000970955474 714179247 /nfs/dbraw/zinc/17/92/47/714179247.db2.gz WCFZKJFUPKMRDR-LBPRGKRZSA-N 1 0 343.431 2.699 20 10 EFCDRO COc1ccc(N2CCC[N@H+](CCCc3cnn(C)c3)CC2)cc1 ZINC000054337619 714258571 /nfs/dbraw/zinc/25/85/71/714258571.db2.gz CHHRWZZHIONPJP-UHFFFAOYSA-N 1 0 328.460 2.574 20 10 EFCDRO CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001021740039 714403888 /nfs/dbraw/zinc/40/38/88/714403888.db2.gz QKEGQRRLOHPLEV-ZBFHGGJFSA-N 1 0 343.431 2.795 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)c3ccn[nH]3)C2)cc1C ZINC000980936721 717974880 /nfs/dbraw/zinc/97/48/80/717974880.db2.gz YRWLVIHQJNFMRO-CVEARBPZSA-N 1 0 342.443 2.558 20 10 EFCDRO CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]2C1 ZINC000980251900 717981144 /nfs/dbraw/zinc/98/11/44/717981144.db2.gz HBLAPUNQLLBRFE-SQWLQELKSA-N 1 0 343.431 2.699 20 10 EFCDRO CCOC1CC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)C1 ZINC001022038712 714681258 /nfs/dbraw/zinc/68/12/58/714681258.db2.gz QNTAZOBARWECES-ZTOOSOLZSA-N 1 0 346.471 2.556 20 10 EFCDRO CC[C@H]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)O1 ZINC001022155178 714838994 /nfs/dbraw/zinc/83/89/94/714838994.db2.gz HOUKARLOIQBTDA-ZMMAXQRCSA-N 1 0 346.471 2.698 20 10 EFCDRO C[C@@H](NC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)c1ccc(N(C)C)cc1 ZINC000891814731 715036891 /nfs/dbraw/zinc/03/68/91/715036891.db2.gz UDBDTUPLIGZTGD-UZLBHIALSA-N 1 0 344.503 2.989 20 10 EFCDRO CN1CCCc2cc(CNC(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)ccc21 ZINC000176039051 715086924 /nfs/dbraw/zinc/08/69/24/715086924.db2.gz ZSGDJGUTOPYAQS-MSOLQXFVSA-N 1 0 344.503 2.741 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc(C)co3)C2)cc1C ZINC001022572519 715221570 /nfs/dbraw/zinc/22/15/70/715221570.db2.gz CUKAIKZDHNDNNY-IYBDPMFKSA-N 1 0 328.412 2.956 20 10 EFCDRO COc1ccc(C[N@H+](C)[C@@H](CCO)c2ccccc2)c(O)c1OC ZINC000892053387 715235662 /nfs/dbraw/zinc/23/56/62/715235662.db2.gz VLGVYFAJVTWVSH-INIZCTEOSA-N 1 0 331.412 2.965 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[C@@H](F)C3)C2)cc1C ZINC001022609888 715251474 /nfs/dbraw/zinc/25/14/74/715251474.db2.gz ZDIWKILQUSKLHR-VQHPVUNQSA-N 1 0 334.435 2.879 20 10 EFCDRO C[C@@H](NC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)c1ccccc1O ZINC000892118725 715261939 /nfs/dbraw/zinc/26/19/39/715261939.db2.gz HQQNUSDPDDVXFA-DYVFJYSZSA-N 1 0 325.412 2.639 20 10 EFCDRO CCc1nocc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001022667040 715281645 /nfs/dbraw/zinc/28/16/45/715281645.db2.gz VGXMUIHJAVNRHO-GASCZTMLSA-N 1 0 343.427 2.605 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3conc3C)C2)cc1C ZINC001027034665 715324182 /nfs/dbraw/zinc/32/41/82/715324182.db2.gz JFQUIKVYJSWUSP-INIZCTEOSA-N 1 0 343.427 2.552 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](OC)C(C)C)C2)cc1C ZINC001027037015 715329633 /nfs/dbraw/zinc/32/96/33/715329633.db2.gz MGRKLGWVHPJTPC-IEBWSBKVSA-N 1 0 348.487 2.613 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)cc1C ZINC001027114851 715604392 /nfs/dbraw/zinc/60/43/92/715604392.db2.gz JPJFPAPBZIWJBX-YTQUADARSA-N 1 0 342.483 2.988 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)C3CCC3)CC2)cc1 ZINC000178422488 715677803 /nfs/dbraw/zinc/67/78/03/715677803.db2.gz FCTHCOFIRATQLA-KRWDZBQOSA-N 1 0 331.504 2.986 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)C3CCC3)CC2)cc1 ZINC000178422502 715677827 /nfs/dbraw/zinc/67/78/27/715677827.db2.gz FCTHCOFIRATQLA-QGZVFWFLSA-N 1 0 331.504 2.986 20 10 EFCDRO Cc1cc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)c(C)n1-c1ccccn1 ZINC000236707676 715719698 /nfs/dbraw/zinc/71/96/98/715719698.db2.gz IWZGGJDKWWWVQR-LJQANCHMSA-N 1 0 328.460 2.982 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3(C)CCOCC3)C2)cc1C ZINC001022856162 715795948 /nfs/dbraw/zinc/79/59/48/715795948.db2.gz XASNUORLODFFKW-CALCHBBNSA-N 1 0 346.471 2.557 20 10 EFCDRO Cc1cc(C(=O)N(C)C2CCC([NH3+])CC2)c(C)n1-c1ccccn1 ZINC000161480644 715925537 /nfs/dbraw/zinc/92/55/37/715925537.db2.gz AGULXBPKRPWHEU-UHFFFAOYSA-N 1 0 326.444 2.831 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)c2cccn2C2CC[NH2+]CC2)cc1 ZINC000327330968 715951132 /nfs/dbraw/zinc/95/11/32/715951132.db2.gz GMIFRRACEVDQNF-UHFFFAOYSA-N 1 0 340.471 2.751 20 10 EFCDRO COc1ccc2ccc(O)c(C[NH+]3CCC(N(C)C(C)=O)CC3)c2c1 ZINC000052085421 715981902 /nfs/dbraw/zinc/98/19/02/715981902.db2.gz XXIPQSTUUJXSAH-UHFFFAOYSA-N 1 0 342.439 2.997 20 10 EFCDRO COc1ccc(C[NH2+]CCO[C@H]2CCCCO2)cc1Cn1cccn1 ZINC000894795155 722849053 /nfs/dbraw/zinc/84/90/53/722849053.db2.gz SEMPALKAZRHBJW-IBGZPJMESA-N 1 0 345.443 2.573 20 10 EFCDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893515134 716425399 /nfs/dbraw/zinc/42/53/99/716425399.db2.gz HQYRQNKWZCWDGO-AWEZNQCLSA-N 1 0 335.400 2.740 20 10 EFCDRO CC(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C(C)(C)C1 ZINC000977648953 716440407 /nfs/dbraw/zinc/44/04/07/716440407.db2.gz BLUMBOTVGKZBIN-OAHLLOKOSA-N 1 0 345.447 2.945 20 10 EFCDRO CC(C)[N@@H+]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C(C)(C)C1 ZINC000977665739 716462547 /nfs/dbraw/zinc/46/25/47/716462547.db2.gz YOQNYUNNDQPLHQ-AWEZNQCLSA-N 1 0 331.420 2.698 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)C=C(C)C)CCO2)cc1C ZINC000979191587 716788822 /nfs/dbraw/zinc/78/88/22/716788822.db2.gz YNBZVLDJJXMKJE-APWZRJJASA-N 1 0 346.471 2.675 20 10 EFCDRO CC[C@@H]([NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000162833502 716909265 /nfs/dbraw/zinc/90/92/65/716909265.db2.gz BJIHPPIRVFEXMF-HXUWFJFHSA-N 1 0 331.504 2.986 20 10 EFCDRO COC(=O)CC1([NH2+]Cc2ccc(OC)c(OC)c2O)CCCCC1 ZINC000892402070 717047148 /nfs/dbraw/zinc/04/71/48/717047148.db2.gz RIRRUDBBXZHMEZ-UHFFFAOYSA-N 1 0 337.416 2.765 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)CSC)C2)cc1C ZINC001023825549 717072265 /nfs/dbraw/zinc/07/22/65/717072265.db2.gz BSTNCVHCPKNUMD-MRXNPFEDSA-N 1 0 336.501 2.695 20 10 EFCDRO CC[C@H](OC)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001023882784 717105924 /nfs/dbraw/zinc/10/59/24/717105924.db2.gz IBXXIXQFSJAKOJ-MSOLQXFVSA-N 1 0 348.487 2.757 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)c3ccon3)C2)cc1C ZINC000980410211 717227242 /nfs/dbraw/zinc/22/72/42/717227242.db2.gz MUBNYTKMGLOUFD-HOCLYGCPSA-N 1 0 343.427 2.632 20 10 EFCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000304300583 724450754 /nfs/dbraw/zinc/45/07/54/724450754.db2.gz OIIHTQRYMAONKQ-GOSISDBHSA-N 1 0 332.469 2.582 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1c(F)cccc1F ZINC000304309161 724451381 /nfs/dbraw/zinc/45/13/81/724451381.db2.gz QLDMTCCKKZNRAD-GOSISDBHSA-N 1 0 348.393 2.625 20 10 EFCDRO O=C(Cc1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179557294 717786539 /nfs/dbraw/zinc/78/65/39/717786539.db2.gz NPCCANAJSJDODK-UHFFFAOYSA-N 1 0 344.842 2.933 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)CSC)C2)cc1C ZINC000980344679 718087301 /nfs/dbraw/zinc/08/73/01/718087301.db2.gz MVABKXBVCQYELR-ZBFHGGJFSA-N 1 0 336.501 2.693 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)c3ccc[nH]3)C2)cc1C ZINC000980368553 718114921 /nfs/dbraw/zinc/11/49/21/718114921.db2.gz OACQXAOOVOORJH-DOTOQJQBSA-N 1 0 341.455 2.972 20 10 EFCDRO Cc1ccc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(O)c1O ZINC000177672582 718154899 /nfs/dbraw/zinc/15/48/99/718154899.db2.gz JINKLGHIAGGYGU-ZIAGYGMSSA-N 1 0 334.460 2.894 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)c2cc[nH]n2)cc1C ZINC001024881974 718203288 /nfs/dbraw/zinc/20/32/88/718203288.db2.gz XIJWNYMPTFTUQF-MRXNPFEDSA-N 1 0 342.443 2.511 20 10 EFCDRO CC[C@@H](CO)Nc1cc(NCc2ccc(N(C)C)cc2C)ncn1 ZINC000892564071 718287584 /nfs/dbraw/zinc/28/75/84/718287584.db2.gz LOCCYRBAVJPQNB-HNNXBMFYSA-N 1 0 329.448 2.646 20 10 EFCDRO COc1ccc(C[NH2+]Cc2cccc(NC(C)=O)c2)c(O)c1OC ZINC000892569839 718295235 /nfs/dbraw/zinc/29/52/35/718295235.db2.gz GXCDHJIYSGIVNQ-UHFFFAOYSA-N 1 0 330.384 2.658 20 10 EFCDRO O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892600400 718325630 /nfs/dbraw/zinc/32/56/30/718325630.db2.gz ZYRBQDTYNQNYII-RBVVOMGSSA-N 1 0 343.471 2.601 20 10 EFCDRO CN(C)c1ccc(CNc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000162881503 718366273 /nfs/dbraw/zinc/36/62/73/718366273.db2.gz GWGZYQMBDIXYPQ-UHFFFAOYSA-N 1 0 325.460 2.512 20 10 EFCDRO COC(=O)[C@@]1(F)CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000164441128 718418929 /nfs/dbraw/zinc/41/89/29/718418929.db2.gz NKALIZVUGZIFGV-GOSISDBHSA-N 1 0 339.407 2.785 20 10 EFCDRO COc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCC3CC3)C2)cc(OC)n1 ZINC000981200096 718493776 /nfs/dbraw/zinc/49/37/76/718493776.db2.gz XARBQWQYTAULNZ-HZPDHXFCSA-N 1 0 347.459 2.530 20 10 EFCDRO C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000166229467 718605213 /nfs/dbraw/zinc/60/52/13/718605213.db2.gz DRKDEOIMPDPKST-IFXJQAMLSA-N 1 0 335.467 2.653 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000166229231 718605355 /nfs/dbraw/zinc/60/53/55/718605355.db2.gz DRKDEOIMPDPKST-LIRRHRJNSA-N 1 0 335.467 2.653 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccn(C)c3)[C@H]2C)cc1C ZINC000986156146 724542438 /nfs/dbraw/zinc/54/24/38/724542438.db2.gz CZILRILHPYLHQL-MAUKXSAKSA-N 1 0 341.455 2.735 20 10 EFCDRO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000305797959 724549014 /nfs/dbraw/zinc/54/90/14/724549014.db2.gz CVYAZWAXJDDYJM-CQSZACIVSA-N 1 0 328.460 2.778 20 10 EFCDRO COc1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)c(O)c1OC ZINC000893659806 719194380 /nfs/dbraw/zinc/19/43/80/719194380.db2.gz KEFMQXDBTYCZMB-UHFFFAOYSA-N 1 0 339.457 2.507 20 10 EFCDRO COc1ccc(C[NH2+]CCc2nn(C)c3ccccc23)c(O)c1OC ZINC000893667516 719202296 /nfs/dbraw/zinc/20/22/96/719202296.db2.gz BVVWDRRXHBTNAA-UHFFFAOYSA-N 1 0 341.411 2.628 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCC(C)(C)[NH3+] ZINC000892861775 719242018 /nfs/dbraw/zinc/24/20/18/719242018.db2.gz UXANDMWMXWUVNV-UHFFFAOYSA-N 1 0 332.492 2.946 20 10 EFCDRO C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCC[N@H+](CCF)C1 ZINC001025631698 719259581 /nfs/dbraw/zinc/25/95/81/719259581.db2.gz DEWAMEIJKZATSX-JSGCOSHPSA-N 1 0 349.410 2.649 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](O)c2ccccc2Cl)c(O)c1OC ZINC000893011683 719455175 /nfs/dbraw/zinc/45/51/75/719455175.db2.gz LSAZWXJXVQAAIT-AWEZNQCLSA-N 1 0 337.803 2.886 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](O)c2c(F)cccc2F)c(O)c1OC ZINC000893017558 719468826 /nfs/dbraw/zinc/46/88/26/719468826.db2.gz FPZZNNYXDBTRMS-ZDUSSCGKSA-N 1 0 339.338 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C[C@](C)(O)c2cc(C)oc2C)c(O)c1OC ZINC000893045737 719527983 /nfs/dbraw/zinc/52/79/83/719527983.db2.gz VWMNQAPMVAPPEP-SFHVURJKSA-N 1 0 335.400 2.617 20 10 EFCDRO C[C@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261562197 719630504 /nfs/dbraw/zinc/63/05/04/719630504.db2.gz GJEOIQYJJSSLPI-QFBILLFUSA-N 1 0 337.467 2.838 20 10 EFCDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000893098136 719632295 /nfs/dbraw/zinc/63/22/95/719632295.db2.gz GTASLTWMYKDHRH-UDFDBXRZSA-N 1 0 341.473 2.579 20 10 EFCDRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000893098137 719632777 /nfs/dbraw/zinc/63/27/77/719632777.db2.gz GTASLTWMYKDHRH-XXAQJILISA-N 1 0 341.473 2.579 20 10 EFCDRO COc1ccc(C[NH2+]Cc2cccc3c2OCCCO3)c(O)c1OC ZINC000893141590 719730079 /nfs/dbraw/zinc/73/00/79/719730079.db2.gz HBCJVHKKTHWAND-UHFFFAOYSA-N 1 0 345.395 2.861 20 10 EFCDRO CCN(CC)[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccco1 ZINC000236854940 719737062 /nfs/dbraw/zinc/73/70/62/719737062.db2.gz OGACNPGEQMRSCJ-AWEZNQCLSA-N 1 0 332.400 2.887 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCN(CCOc3ccccc3)CC2)c1 ZINC000179593636 719822579 /nfs/dbraw/zinc/82/25/79/719822579.db2.gz MCBMPZUFDVTQLA-UHFFFAOYSA-N 1 0 342.439 2.597 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)C4CC4)C[C@H]32)cc1C ZINC001026166036 719831023 /nfs/dbraw/zinc/83/10/23/719831023.db2.gz SLSWKBOMJUORHA-RCCFBDPRSA-N 1 0 328.456 2.740 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)C4CC4)C[C@@H]23)cc1C ZINC001026166034 719831114 /nfs/dbraw/zinc/83/11/14/719831114.db2.gz SLSWKBOMJUORHA-KZNAEPCWSA-N 1 0 328.456 2.740 20 10 EFCDRO COc1ccc(C[NH2+]CC[C@H]2COc3ccccc3O2)c(O)c1OC ZINC000893168228 719915489 /nfs/dbraw/zinc/91/54/89/719915489.db2.gz RUOUMVJPFWBXHM-AWEZNQCLSA-N 1 0 345.395 2.729 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)C[C@@H]3CSCC[NH2+]3)cc2)CC1 ZINC000236673425 719958863 /nfs/dbraw/zinc/95/88/63/719958863.db2.gz DYQDLOWDYCZTFS-QGZVFWFLSA-N 1 0 347.528 2.634 20 10 EFCDRO COc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1O ZINC000237395462 719999949 /nfs/dbraw/zinc/99/99/49/719999949.db2.gz KMFRBOUREMNZAE-UHFFFAOYSA-N 1 0 328.412 2.527 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(O)c1OC ZINC000893208743 720050854 /nfs/dbraw/zinc/05/08/54/720050854.db2.gz GKKGZBVPSRRVLB-VHSSKADRSA-N 1 0 333.428 2.847 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccns3)[C@H]2C)cc1C ZINC000986320208 724643563 /nfs/dbraw/zinc/64/35/63/724643563.db2.gz CRJHVWJVSIENBF-DZGCQCFKSA-N 1 0 345.468 2.853 20 10 EFCDRO Cc1ccc(C(=O)N(CC[NH+](C)C)CC2CCCCC2)c(O)c1O ZINC000182170237 720092086 /nfs/dbraw/zinc/09/20/86/720092086.db2.gz UNUMMYLOJQRDGR-UHFFFAOYSA-N 1 0 334.460 2.990 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1O ZINC000894006392 720219544 /nfs/dbraw/zinc/21/95/44/720219544.db2.gz UVRDPUPOGPHQEQ-AWEZNQCLSA-N 1 0 342.443 2.627 20 10 EFCDRO CC(=O)OC1CC[NH+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894030817 720230635 /nfs/dbraw/zinc/23/06/35/720230635.db2.gz LZIFEANJYBFVIA-UHFFFAOYSA-N 1 0 346.196 2.821 20 10 EFCDRO CC[C@@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)[C@H](CC)CN1C(C)=O ZINC000894053318 720252934 /nfs/dbraw/zinc/25/29/34/720252934.db2.gz JBHLGVFVNBSIRC-IAGOWNOFSA-N 1 0 334.460 2.931 20 10 EFCDRO [O-]c1c(F)cc(F)cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000894063542 720259533 /nfs/dbraw/zinc/25/95/33/720259533.db2.gz DATKOHVGKOTPPR-UHFFFAOYSA-N 1 0 340.414 2.747 20 10 EFCDRO OCC1([NH2+]Cc2c(O)cccc2Br)CCSCC1 ZINC000858177161 720260551 /nfs/dbraw/zinc/26/05/51/720260551.db2.gz IWYYVHQBCZZLIB-UHFFFAOYSA-N 1 0 332.263 2.502 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3cc(C)on3)C2)cc1C ZINC001026670097 720910364 /nfs/dbraw/zinc/91/03/64/720910364.db2.gz PURRFUFNZVELAY-INIZCTEOSA-N 1 0 343.427 2.552 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3cc(C)no3)C2)cc1C ZINC001026677935 720919537 /nfs/dbraw/zinc/91/95/37/720919537.db2.gz JUKIFMTVGFIXAC-MRXNPFEDSA-N 1 0 343.427 2.552 20 10 EFCDRO Cc1cc(N(C)C)ccc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000840915711 720934635 /nfs/dbraw/zinc/93/46/35/720934635.db2.gz SIUZOODBESEAJW-UHFFFAOYSA-N 1 0 331.504 2.605 20 10 EFCDRO C[C@@H]([NH2+]CCCOC(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000194038459 720975359 /nfs/dbraw/zinc/97/53/59/720975359.db2.gz ILILPZHRJCPVBZ-GFCCVEGCSA-N 1 0 332.366 2.942 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@H](CO)C(C)(C)C)c1O ZINC000194632318 721045390 /nfs/dbraw/zinc/04/53/90/721045390.db2.gz KKOUUTYLQSXNHL-GFCCVEGCSA-N 1 0 332.238 2.660 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCOc2ccc3c(c2)OCO3)c1O ZINC000894199961 721193574 /nfs/dbraw/zinc/19/35/74/721193574.db2.gz NBEJYVYXJSDRGT-UHFFFAOYSA-N 1 0 331.368 2.607 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(Br)cc1O)[C@@H](O)C(F)(F)F ZINC000877693614 721203178 /nfs/dbraw/zinc/20/31/78/721203178.db2.gz LXAFPACUIGPKAL-QUBYGPBYSA-N 1 0 328.128 2.556 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c1O ZINC000894211586 721258837 /nfs/dbraw/zinc/25/88/37/721258837.db2.gz RRNOEZDWHLWFRA-OAHLLOKOSA-N 1 0 326.396 2.604 20 10 EFCDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894239250 721380433 /nfs/dbraw/zinc/38/04/33/721380433.db2.gz YTBZEWKZMDMYGB-UHFFFAOYSA-N 1 0 332.356 2.916 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(c3nccs3)CC2)c(O)c1OC ZINC000894239379 721382869 /nfs/dbraw/zinc/38/28/69/721382869.db2.gz MUUQTYCCLOFRPM-UHFFFAOYSA-N 1 0 349.456 2.625 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](F)C(C)C)C2)cc1C ZINC001027006931 721503069 /nfs/dbraw/zinc/50/30/69/721503069.db2.gz SIGUAZDMWCSAND-SJLPKXTDSA-N 1 0 336.451 2.936 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000729045501 724806474 /nfs/dbraw/zinc/80/64/74/724806474.db2.gz WAOAQKDDJDASKI-CYBMUJFWSA-N 1 0 335.448 2.635 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3cncs3)C2)cc1C ZINC000983265837 721952874 /nfs/dbraw/zinc/95/28/74/721952874.db2.gz KLBHOJVJJKOUOP-SHTZXODSSA-N 1 0 345.468 2.758 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1O ZINC000894331118 722105483 /nfs/dbraw/zinc/10/54/83/722105483.db2.gz BRVPAMODXQQUFB-MSOLQXFVSA-N 1 0 348.487 2.567 20 10 EFCDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCCSc1nccs1 ZINC000841856083 722118365 /nfs/dbraw/zinc/11/83/65/722118365.db2.gz GKERYXFYBJYIQW-LBPRGKRZSA-N 1 0 330.523 2.640 20 10 EFCDRO COc1cc(C)cc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)c1O ZINC000894346805 722154856 /nfs/dbraw/zinc/15/48/56/722154856.db2.gz ANYXZTZJLVEMFY-UHFFFAOYSA-N 1 0 329.322 2.758 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(c3ncccc3F)C2)c1O ZINC000894352973 722596784 /nfs/dbraw/zinc/59/67/84/722596784.db2.gz TZIAFHPPWUUCJD-CQSZACIVSA-N 1 0 331.391 2.612 20 10 EFCDRO CC(C)=CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029014346 722640287 /nfs/dbraw/zinc/64/02/87/722640287.db2.gz WWCWJVNCMAOZFL-CQSZACIVSA-N 1 0 343.431 2.867 20 10 EFCDRO CCCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029014279 722641735 /nfs/dbraw/zinc/64/17/35/722641735.db2.gz UFFBBLHFANFAQR-CYBMUJFWSA-N 1 0 331.420 2.701 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C2CCN(C(=O)C(F)F)CC2)cc1C ZINC001029031413 722677346 /nfs/dbraw/zinc/67/73/46/722677346.db2.gz HPAJGSMPIUDXJE-ZDUSSCGKSA-N 1 0 340.414 2.985 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)Cc3ccoc3)C2)cc1C ZINC000983532628 722688435 /nfs/dbraw/zinc/68/84/35/722688435.db2.gz FLANDZCCCVZEAQ-IYARVYRRSA-N 1 0 342.439 2.824 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C2CCN(C(=O)[C@@H](C)OC)CC2)cc1C ZINC001029061168 722709779 /nfs/dbraw/zinc/70/97/79/722709779.db2.gz QXJJOTVBHHCPIP-JKSUJKDBSA-N 1 0 348.487 2.755 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000894424673 722732933 /nfs/dbraw/zinc/73/29/33/722732933.db2.gz LBQTVXTUOYSYEX-QMHKHESXSA-N 1 0 333.453 2.919 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)c1O ZINC000894466708 722747379 /nfs/dbraw/zinc/74/73/79/722747379.db2.gz LAHDJVHZHXXGQU-UHFFFAOYSA-N 1 0 332.444 2.542 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccnc(N3CCCC3)c2)c(O)c1OC ZINC000894527812 722771869 /nfs/dbraw/zinc/77/18/69/722771869.db2.gz BMYUISZOOLJDDI-UHFFFAOYSA-N 1 0 343.427 2.694 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCC(N3CN=NC3=O)CC2)cc1 ZINC000894609263 722792277 /nfs/dbraw/zinc/79/22/77/722792277.db2.gz OYNZHCOFWDGTTQ-UHFFFAOYSA-N 1 0 329.448 2.667 20 10 EFCDRO COc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c(O)c1OC ZINC000894632476 722803313 /nfs/dbraw/zinc/80/33/13/722803313.db2.gz BJMYVUQSRGKZHW-GOSISDBHSA-N 1 0 333.428 2.800 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](Cc2ccccc2)OC)c(O)c1OC ZINC000894678012 722813679 /nfs/dbraw/zinc/81/36/79/722813679.db2.gz ZIIGEKQFCUTMOA-INIZCTEOSA-N 1 0 331.412 2.757 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c1O ZINC000894789671 722845185 /nfs/dbraw/zinc/84/51/85/722845185.db2.gz IONYDMMKQYHTAM-PXNSSMCTSA-N 1 0 327.424 2.965 20 10 EFCDRO CC[NH2+][C@H](C)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001029174307 722942485 /nfs/dbraw/zinc/94/24/85/722942485.db2.gz AKOPCYJQZDPAGK-GFCCVEGCSA-N 1 0 331.420 2.699 20 10 EFCDRO COc1ccc(C[NH+]2CCC(c3ccncn3)CC2)c(O)c1OC ZINC000894886239 723006535 /nfs/dbraw/zinc/00/65/35/723006535.db2.gz SOAPNRXTHRXPBM-UHFFFAOYSA-N 1 0 329.400 2.579 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@H](C)C(=O)NCCc2ccccc2)c1O ZINC000894970421 723038999 /nfs/dbraw/zinc/03/89/99/723038999.db2.gz YMQVNHOFOSBSRC-OAHLLOKOSA-N 1 0 342.439 2.546 20 10 EFCDRO COc1ccc([C@@H](CO)C[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894985476 723045193 /nfs/dbraw/zinc/04/51/93/723045193.db2.gz PPRDIOVUGOUHSD-MRXNPFEDSA-N 1 0 331.412 2.584 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)cc1F ZINC000895001022 723045734 /nfs/dbraw/zinc/04/57/34/723045734.db2.gz OPYRPGCXZWMYJW-HXUWFJFHSA-N 1 0 341.430 2.521 20 10 EFCDRO NC(=O)[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H]1c1ccccc1 ZINC000895006295 723047029 /nfs/dbraw/zinc/04/70/29/723047029.db2.gz HGPIICAXLSGPPC-UONOGXRCSA-N 1 0 330.815 2.747 20 10 EFCDRO Cc1nnc([C@H]2CC[N@H+](Cc3cc(Br)ccc3O)C2)[nH]1 ZINC000895008196 723052480 /nfs/dbraw/zinc/05/24/80/723052480.db2.gz PCUHFVXHNBJKLF-JTQLQIEISA-N 1 0 337.221 2.571 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCC(C)(F)F)[NH+](C)C)cc1 ZINC000895069838 723173101 /nfs/dbraw/zinc/17/31/01/723173101.db2.gz QZIXOSZCUGZOJY-OAHLLOKOSA-N 1 0 342.434 2.700 20 10 EFCDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000896270621 723229467 /nfs/dbraw/zinc/22/94/67/723229467.db2.gz SCLDTCXHYNYSBD-DLBZAZTESA-N 1 0 346.471 2.773 20 10 EFCDRO Cc1nn(C)c2ncc(C[NH2+]Cc3ccc4c(c3)CCCN4C)cc12 ZINC000237189514 723239387 /nfs/dbraw/zinc/23/93/87/723239387.db2.gz VZCVLBJTHRHSSJ-UHFFFAOYSA-N 1 0 335.455 2.949 20 10 EFCDRO Cc1cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC000320662454 723336261 /nfs/dbraw/zinc/33/62/61/723336261.db2.gz KCVUDBTZVLQTKL-QGZVFWFLSA-N 1 0 332.469 2.761 20 10 EFCDRO CCCCNC(=O)C1([NH2+]Cc2cc3c(cc2O)OCO3)CCCCC1 ZINC000154630986 728828548 /nfs/dbraw/zinc/82/85/48/728828548.db2.gz JFXFMBJQHRWJCA-UHFFFAOYSA-N 1 0 348.443 2.830 20 10 EFCDRO CN(C)CC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000154628148 728828989 /nfs/dbraw/zinc/82/89/89/728828989.db2.gz IJGGGOONBLHCAS-UHFFFAOYSA-N 1 0 349.494 2.969 20 10 EFCDRO CN(C)c1ccc(CN(C(=O)NCCC[NH+]2CCCC2)C2CC2)cc1 ZINC000918058857 728829755 /nfs/dbraw/zinc/82/97/55/728829755.db2.gz YEMHMQXXFKZVSN-UHFFFAOYSA-N 1 0 344.503 2.913 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCCN2CC(F)(F)F)c1O ZINC000896832860 723527280 /nfs/dbraw/zinc/52/72/80/723527280.db2.gz HNHLAYLKWZWSMA-CYBMUJFWSA-N 1 0 332.366 2.826 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CC[C@H](C)C3)CC2)cc1 ZINC000237274150 723571027 /nfs/dbraw/zinc/57/10/27/723571027.db2.gz ZHJBMUKSXGGLBV-ROUUACIJSA-N 1 0 331.504 2.986 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1 ZINC000918197558 728848781 /nfs/dbraw/zinc/84/87/81/728848781.db2.gz JQUIOKKZXKJXFM-IBGZPJMESA-N 1 0 346.858 3.000 20 10 EFCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000896962372 723916209 /nfs/dbraw/zinc/91/62/09/723916209.db2.gz NKPZNGNPDFTQKW-SNVBAGLBSA-N 1 0 328.206 2.540 20 10 EFCDRO CCC(CC)C[NH+]1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001031464604 728856700 /nfs/dbraw/zinc/85/67/00/728856700.db2.gz UYWSDUYHHLRZKZ-UHFFFAOYSA-N 1 0 331.420 2.699 20 10 EFCDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCCSc1nccs1 ZINC000154676098 728856984 /nfs/dbraw/zinc/85/69/84/728856984.db2.gz VUCNSOLQCMBMQO-CYBMUJFWSA-N 1 0 342.534 2.609 20 10 EFCDRO COc1c(O)c(C[NH2+][C@@H]2CCCc3cccnc32)ccc1[N+](=O)[O-] ZINC000897071186 723980224 /nfs/dbraw/zinc/98/02/24/723980224.db2.gz YJOQWZBXKQEPPF-CYBMUJFWSA-N 1 0 329.356 2.871 20 10 EFCDRO CN(C)c1cc(F)c(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)cc1F ZINC000897257842 724137349 /nfs/dbraw/zinc/13/73/49/724137349.db2.gz NWUGIUBZWQQKBL-AWEZNQCLSA-N 1 0 340.414 2.537 20 10 EFCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000895493963 724159874 /nfs/dbraw/zinc/15/98/74/724159874.db2.gz RFUZGKDSMLWIOZ-HNNXBMFYSA-N 1 0 332.350 2.874 20 10 EFCDRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3cc(F)ccc3O)C2)cc1F ZINC000895502789 724162694 /nfs/dbraw/zinc/16/26/94/724162694.db2.gz GFPKNMMVHNGSDF-AWEZNQCLSA-N 1 0 348.349 2.962 20 10 EFCDRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3cc(F)ccc3O)C2)cc1F ZINC000895502790 724162915 /nfs/dbraw/zinc/16/29/15/724162915.db2.gz GFPKNMMVHNGSDF-CQSZACIVSA-N 1 0 348.349 2.962 20 10 EFCDRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3ccccc3O)C2)cc1F ZINC000895504452 724164007 /nfs/dbraw/zinc/16/40/07/724164007.db2.gz UNJWRGRWVDWVQO-CQSZACIVSA-N 1 0 330.359 2.823 20 10 EFCDRO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cc(OC)ccc1O)C2 ZINC000895600006 724214366 /nfs/dbraw/zinc/21/43/66/724214366.db2.gz CDVKRMSSUPSJTO-UHFFFAOYSA-N 1 0 327.380 2.746 20 10 EFCDRO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cccc(OC)c1O)C2 ZINC000895601539 724215539 /nfs/dbraw/zinc/21/55/39/724215539.db2.gz QOOLXIMUOCCJIL-UHFFFAOYSA-N 1 0 327.380 2.746 20 10 EFCDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1c(O)cccc1Cl)C(F)(F)F ZINC000895707702 724266960 /nfs/dbraw/zinc/26/69/60/724266960.db2.gz MLQDLOWEUNTADU-FMFIFOJESA-N 1 0 339.741 2.979 20 10 EFCDRO CCO/C=C/[C@](O)(C[NH2+]Cc1cc(C)cc(OC)c1O)C(F)(F)F ZINC000895717302 724277058 /nfs/dbraw/zinc/27/70/58/724277058.db2.gz NFVCLKNHSTUPRS-NFAHFFEMSA-N 1 0 349.349 2.642 20 10 EFCDRO CCO/C=C/[C@](O)(C[NH2+]Cc1cc(C)c(C)cc1O)C(F)(F)F ZINC000895708708 724278976 /nfs/dbraw/zinc/27/89/76/724278976.db2.gz VLHPUUQOEJTSSJ-NFAHFFEMSA-N 1 0 333.350 2.942 20 10 EFCDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1ccc(OCC)cc1O)C(F)(F)F ZINC000895709219 724279838 /nfs/dbraw/zinc/27/98/38/724279838.db2.gz XXMORCRBZDYYDY-MVGZEHJDSA-N 1 0 349.349 2.724 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c1O ZINC000895838044 724335618 /nfs/dbraw/zinc/33/56/18/724335618.db2.gz ZQRIGWSEPVBFDE-ZDUSSCGKSA-N 1 0 339.741 2.801 20 10 EFCDRO CCOc1cccc(C[NH2+]CCc2ccccc2C(=O)OC)c1O ZINC000897309269 724337628 /nfs/dbraw/zinc/33/76/28/724337628.db2.gz AFHHOSRWBDQYBS-UHFFFAOYSA-N 1 0 329.396 2.910 20 10 EFCDRO C[C@@H]([NH2+][C@H]1COCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000895850615 724350364 /nfs/dbraw/zinc/35/03/64/724350364.db2.gz CJEVWPWPAWLLMD-ZIAGYGMSSA-N 1 0 336.432 2.679 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3conc3C)[C@H]2C)cc1C ZINC000986819779 724897393 /nfs/dbraw/zinc/89/73/93/724897393.db2.gz CCDRHGULNAXBIS-YOEHRIQHSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)(F)F)[C@@H]2C)cc1C ZINC000985876172 724938592 /nfs/dbraw/zinc/93/85/92/724938592.db2.gz ZHAWPKPXTHATHU-TZMCWYRMSA-N 1 0 326.387 2.738 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccco3)[C@@H]2C)cc1C ZINC000985889142 724951526 /nfs/dbraw/zinc/95/15/26/724951526.db2.gz YWOUVCQPMDMKGS-ZBFHGGJFSA-N 1 0 328.412 2.989 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc(C)on3)[C@H]2C)cc1C ZINC000985936637 724978676 /nfs/dbraw/zinc/97/86/76/724978676.db2.gz YVJKNRJGZNJXJV-HOCLYGCPSA-N 1 0 343.427 2.693 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+]CC2(NC(=O)OC(C)(C)C)CC2)c1 ZINC000897422945 725521035 /nfs/dbraw/zinc/52/10/35/725521035.db2.gz RTWGEBPHFUSWEB-UHFFFAOYSA-N 1 0 336.432 2.938 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3ccc[nH]3)[C@H]2C)cc1C ZINC000987551351 725748398 /nfs/dbraw/zinc/74/83/98/725748398.db2.gz NMMHUPNBTLRIKH-YJBOKZPZSA-N 1 0 341.455 2.653 20 10 EFCDRO CC(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC000987583480 725765813 /nfs/dbraw/zinc/76/58/13/725765813.db2.gz DGQUYOMYAOYBKN-SWLSCSKDSA-N 1 0 331.420 2.698 20 10 EFCDRO CC(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC000987583479 725765875 /nfs/dbraw/zinc/76/58/75/725765875.db2.gz DGQUYOMYAOYBKN-IUODEOHRSA-N 1 0 331.420 2.698 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCOC1 ZINC000151586363 725783645 /nfs/dbraw/zinc/78/36/45/725783645.db2.gz ZZVFKKAJMQWZPF-ICSRJNTNSA-N 1 0 332.488 2.800 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3cccnc3)C2)cc1C ZINC000987813566 725863774 /nfs/dbraw/zinc/86/37/74/725863774.db2.gz NEGMJXYPBVIRCF-YJBOKZPZSA-N 1 0 339.439 2.791 20 10 EFCDRO CC(C)[N@@H+]1CC[C@@]2(NC(=O)c3ccc(N=NC(N)=O)cc3)CCC[C@@H]12 ZINC000992549931 725958411 /nfs/dbraw/zinc/95/84/11/725958411.db2.gz OUXPMLYYEYIVFL-QAPCUYQASA-N 1 0 343.431 2.984 20 10 EFCDRO Oc1ccccc1C[N@H+](CCOC[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000152293391 725989280 /nfs/dbraw/zinc/98/92/80/725989280.db2.gz CLKRDKCUQZIMGW-ROUUACIJSA-N 1 0 335.444 2.569 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3cc(C)no3)C2)cc1C ZINC000988031474 726034079 /nfs/dbraw/zinc/03/40/79/726034079.db2.gz SBYVSBMYDGNSDP-HOCLYGCPSA-N 1 0 343.427 2.693 20 10 EFCDRO COCCN(CC[NH+](C)C)C(=O)c1sccc1-n1c(C)ccc1C ZINC000729286438 726227117 /nfs/dbraw/zinc/22/71/17/726227117.db2.gz RJNVADUHJOKKLA-UHFFFAOYSA-N 1 0 349.500 2.806 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000897473648 726251448 /nfs/dbraw/zinc/25/14/48/726251448.db2.gz BAJIVBPGXHMCQK-INIZCTEOSA-N 1 0 332.492 2.768 20 10 EFCDRO CCCCCNC(=O)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000054489964 726355605 /nfs/dbraw/zinc/35/56/05/726355605.db2.gz FBNMYEGENSHOKW-UHFFFAOYSA-N 1 0 348.443 2.639 20 10 EFCDRO CN(C)c1ccc([C@@H](CNc2ccc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000897521664 726398196 /nfs/dbraw/zinc/39/81/96/726398196.db2.gz HCMQZMFWAWZCOC-MRXNPFEDSA-N 1 0 329.404 2.771 20 10 EFCDRO CN(C)c1ccc([C@H](CNc2cccnc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000897523262 726403225 /nfs/dbraw/zinc/40/32/25/726403225.db2.gz SJEZXBXCEJRYBQ-INIZCTEOSA-N 1 0 329.404 2.771 20 10 EFCDRO COC(=O)c1ccnc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000897523235 726403934 /nfs/dbraw/zinc/40/39/34/726403934.db2.gz SDJKWALKLBTDLM-KRWDZBQOSA-N 1 0 342.443 2.649 20 10 EFCDRO CN(C)c1ccc([C@@H](CNc2ccc(N)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000897523628 726404063 /nfs/dbraw/zinc/40/40/63/726404063.db2.gz WAKVQFVKDMUJAZ-GOSISDBHSA-N 1 0 343.431 2.958 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000731118026 726807308 /nfs/dbraw/zinc/80/73/08/726807308.db2.gz VQLLSJDVAFYIMT-GOSISDBHSA-N 1 0 342.487 2.570 20 10 EFCDRO COc1cccc(O)c1C[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000731360467 726846403 /nfs/dbraw/zinc/84/64/03/726846403.db2.gz GEMGHPGNOIOFSY-UHFFFAOYSA-N 1 0 332.444 2.672 20 10 EFCDRO O=C1OCCN1CCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000731844881 726941395 /nfs/dbraw/zinc/94/13/95/726941395.db2.gz PSCWMDRWBJFYSP-UHFFFAOYSA-N 1 0 330.384 2.830 20 10 EFCDRO CN(C(=O)/C=C/c1cccnc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732003734 726974809 /nfs/dbraw/zinc/97/48/09/726974809.db2.gz DITFGZMKTVRMMW-IZZDOVSWSA-N 1 0 325.412 2.698 20 10 EFCDRO CCCCN(Cc1ccccc1O)C(=O)c1ccnn1CC[NH+](C)C ZINC000908045369 727086208 /nfs/dbraw/zinc/08/62/08/727086208.db2.gz MNBVRZYKTCOYOU-UHFFFAOYSA-N 1 0 344.459 2.593 20 10 EFCDRO CCN(CC)c1ccc(CN(C)C(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000732891402 727269796 /nfs/dbraw/zinc/26/97/96/727269796.db2.gz HHNNEJMVAPZGLO-UHFFFAOYSA-N 1 0 332.492 2.768 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000733328312 727546659 /nfs/dbraw/zinc/54/66/59/727546659.db2.gz OCKGAZMMHJIHJC-KRWDZBQOSA-N 1 0 333.363 2.623 20 10 EFCDRO Nc1ccc(CCNC(=O)c2ccc(C[NH+]3CCCCC3)o2)cc1 ZINC000911783056 727598223 /nfs/dbraw/zinc/59/82/23/727598223.db2.gz PJLDYPJCOLEFIZ-UHFFFAOYSA-N 1 0 327.428 2.820 20 10 EFCDRO C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)[NH+](C)C ZINC000912110173 727655353 /nfs/dbraw/zinc/65/53/53/727655353.db2.gz PHLNHKDORDYBHK-GFCCVEGCSA-N 1 0 331.382 2.594 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000916574280 727697821 /nfs/dbraw/zinc/69/78/21/727697821.db2.gz YFSXPDGTRCDEFW-WMZOPIPTSA-N 1 0 330.476 2.521 20 10 EFCDRO CCCCNC(=O)NC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000917074846 727763639 /nfs/dbraw/zinc/76/36/39/727763639.db2.gz HXMFBLNJVCCQPI-UHFFFAOYSA-N 1 0 348.491 2.589 20 10 EFCDRO CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC000994497175 727772017 /nfs/dbraw/zinc/77/20/17/727772017.db2.gz QJMIOJYZSVGYEL-SWLSCSKDSA-N 1 0 331.420 2.842 20 10 EFCDRO C[C@@H]1[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCC[N@@H+]1CCCF ZINC000994497768 727772185 /nfs/dbraw/zinc/77/21/85/727772185.db2.gz RENZGSUYHWOCRB-IUODEOHRSA-N 1 0 349.410 2.791 20 10 EFCDRO CN(C)c1ccc(C[N@H+](Cc2cc(=O)n3ccccc3n2)C2CC2)cc1 ZINC000917418008 727803008 /nfs/dbraw/zinc/80/30/08/727803008.db2.gz TWPCURBRRGYFJW-UHFFFAOYSA-N 1 0 348.450 2.925 20 10 EFCDRO CC(C)(C)NC(=O)CC[NH2+]Cc1cc(Br)ccc1O ZINC000222107775 727920001 /nfs/dbraw/zinc/92/00/01/727920001.db2.gz FSFCMQPLFHVSBX-UHFFFAOYSA-N 1 0 329.238 2.549 20 10 EFCDRO COc1ccnc(N2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)c1 ZINC000164298156 727933322 /nfs/dbraw/zinc/93/33/22/727933322.db2.gz LOXASACUXOVZSU-UHFFFAOYSA-N 1 0 327.428 2.735 20 10 EFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)c1O ZINC000183160851 727980262 /nfs/dbraw/zinc/98/02/62/727980262.db2.gz IJYPYJZIGQGTAM-OSPHWJPCSA-N 1 0 349.427 2.943 20 10 EFCDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000165095151 728013062 /nfs/dbraw/zinc/01/30/62/728013062.db2.gz CUZNOJQLJPZPHY-AWEZNQCLSA-N 1 0 334.460 2.696 20 10 EFCDRO C[C@H]1CN(C(=O)c2cccc(O)c2O)CC[N@H+](Cc2ccccc2)C1 ZINC000323808588 728039110 /nfs/dbraw/zinc/03/91/10/728039110.db2.gz NGDBNANQSKSGNZ-OAHLLOKOSA-N 1 0 340.423 2.692 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COc2ccccc2C)c1 ZINC000182428717 728148715 /nfs/dbraw/zinc/14/87/15/728148715.db2.gz SMJGMRVCASVZSJ-GJZGRUSLSA-N 1 0 331.412 2.800 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@H](C)c2cccs2)c1 ZINC000182443391 728162749 /nfs/dbraw/zinc/16/27/49/728162749.db2.gz MXNPHUFCPYXLHX-NWDGAFQWSA-N 1 0 334.441 2.990 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(=O)n3cccc(C)c3n2)c1 ZINC000182468965 728179039 /nfs/dbraw/zinc/17/90/39/728179039.db2.gz RCDXSZPGBNZRPI-CYBMUJFWSA-N 1 0 339.395 2.568 20 10 EFCDRO CC1CCN(CC[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000227437464 728333295 /nfs/dbraw/zinc/33/32/95/728333295.db2.gz KBRXRKHDQUAFSS-UHFFFAOYSA-N 1 0 327.266 2.976 20 10 EFCDRO CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC[NH+](C)C ZINC000060721170 728414504 /nfs/dbraw/zinc/41/45/04/728414504.db2.gz YTMDHXAXSJUIEN-UHFFFAOYSA-N 1 0 333.457 2.995 20 10 EFCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c1 ZINC000129929700 728435481 /nfs/dbraw/zinc/43/54/81/728435481.db2.gz VVXLTSMUSBNVPQ-UHFFFAOYSA-N 1 0 346.471 2.840 20 10 EFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CC(=O)N(C)C)cc1 ZINC000060844063 728435498 /nfs/dbraw/zinc/43/54/98/728435498.db2.gz IBCVEZNEOIBIHP-UHFFFAOYSA-N 1 0 325.456 2.891 20 10 EFCDRO C[C@H](C[NH2+]Cc1cccc(Br)c1[O-])C[NH+]1CCCC1 ZINC000060942135 728450976 /nfs/dbraw/zinc/45/09/76/728450976.db2.gz LGRSJAVYDGMCNV-GFCCVEGCSA-N 1 0 327.266 2.976 20 10 EFCDRO COc1ccc(N2CCCN(Cc3nnc(C(C)C)o3)CC2)cc1 ZINC000171145321 728519442 /nfs/dbraw/zinc/51/94/42/728519442.db2.gz QZEZVIGATVXKMQ-UHFFFAOYSA-N 1 0 330.432 2.914 20 10 EFCDRO CC[NH+](CC)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000061757605 728543036 /nfs/dbraw/zinc/54/30/36/728543036.db2.gz LYRNUKWNLDMKBE-IBGZPJMESA-N 1 0 347.503 2.602 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000171646185 728546980 /nfs/dbraw/zinc/54/69/80/728546980.db2.gz GRXWVXXUKAFHBZ-GOSISDBHSA-N 1 0 332.492 2.768 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000171646179 728546993 /nfs/dbraw/zinc/54/69/93/728546993.db2.gz GRXWVXXUKAFHBZ-SFHVURJKSA-N 1 0 332.492 2.768 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000171729099 728550111 /nfs/dbraw/zinc/55/01/11/728550111.db2.gz ILLNJZOXHSIOKH-ZDUSSCGKSA-N 1 0 335.448 2.634 20 10 EFCDRO Cc1cc(CN2CC[NH+](CC(C)(C)O)CC2)c(O)c(C(C)(C)C)c1 ZINC000172910074 728609898 /nfs/dbraw/zinc/60/98/98/728609898.db2.gz OJKYNGHMAHLBSZ-UHFFFAOYSA-N 1 0 334.504 2.887 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@](C)(CC)C1)cc2=O ZINC000173778863 728635300 /nfs/dbraw/zinc/63/53/00/728635300.db2.gz VTQFWBOIBZKONU-GOSISDBHSA-N 1 0 346.431 2.624 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC3(CCCC3)C2)cc1 ZINC000174262003 728657620 /nfs/dbraw/zinc/65/76/20/728657620.db2.gz IVDAGXDKCPZFKM-UHFFFAOYSA-N 1 0 329.488 2.977 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C(CC)CC)C1CC1)cc2=O ZINC000920409470 729179552 /nfs/dbraw/zinc/17/95/52/729179552.db2.gz AKDLMXSGTJNEMC-UHFFFAOYSA-N 1 0 346.431 2.765 20 10 EFCDRO C[C@H](CC(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CCC[NH2+]C1 ZINC000237676513 729601394 /nfs/dbraw/zinc/60/13/94/729601394.db2.gz PYFUOPDIEFKVQP-CRAIPNDOSA-N 1 0 329.488 2.711 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000179888413 729648070 /nfs/dbraw/zinc/64/80/70/729648070.db2.gz GXMVAKBCUZMIKM-UHFFFAOYSA-N 1 0 341.386 2.734 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1 ZINC000180170758 729702191 /nfs/dbraw/zinc/70/21/91/729702191.db2.gz IUXHEISYNOOFRA-AWEZNQCLSA-N 1 0 334.460 2.775 20 10 EFCDRO Cc1cc(Cl)cc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c1O ZINC000826267778 947773004 /nfs/dbraw/zinc/77/30/04/947773004.db2.gz WLORNGPTCSJZKP-UHFFFAOYSA-N 1 0 329.791 2.824 20 10 EFCDRO Oc1ccccc1C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826511605 948433940 /nfs/dbraw/zinc/43/39/40/948433940.db2.gz XJYZFMQRHZKTRM-UHFFFAOYSA-N 1 0 333.395 2.862 20 10 EFCDRO CCC(CC)(CC(=O)[O-])[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000901794486 980524239 /nfs/dbraw/zinc/52/42/39/980524239.db2.gz BYFOQOVOWQFTPK-UHFFFAOYSA-N 1 0 333.476 2.562 20 10 EFCDRO OC[C@H](Cc1ccccc1)[NH2+]Cc1c(O)cccc1Br ZINC000706830549 1126106481 /nfs/dbraw/zinc/10/64/81/1126106481.db2.gz ZZGUMFIPLGIJPC-ZDUSSCGKSA-N 1 0 336.229 2.848 20 10 EFCDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000865716739 1126115847 /nfs/dbraw/zinc/11/58/47/1126115847.db2.gz YBVMUIQYKPILIZ-FQEVSTJZSA-N 1 0 327.424 2.713 20 10 EFCDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000873191288 1126119097 /nfs/dbraw/zinc/11/90/97/1126119097.db2.gz LIBKGQYRZIYXJQ-FQEVSTJZSA-N 1 0 327.424 2.713 20 10 EFCDRO CC(C)c1ncsc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001575871298 1088743473 /nfs/dbraw/zinc/74/34/73/1088743473.db2.gz HKEPGENUPKICGB-CQSZACIVSA-N 1 0 332.473 2.762 20 10 EFCDRO C[C@@H](C[NH3+])Cn1c(C2CCCC2)nnc1N(C)Cc1ccccc1O ZINC001575998844 1088837353 /nfs/dbraw/zinc/83/73/53/1088837353.db2.gz ROWKPLDWHWAKTO-AWEZNQCLSA-N 1 0 343.475 2.873 20 10 EFCDRO CC[C@@H]([NH3+])Cn1c(C)nnc1N(C)Cc1ccc(N2CCCC2)cc1 ZINC001577133923 1089686651 /nfs/dbraw/zinc/68/66/51/1089686651.db2.gz GSMPYOKPBGURBB-QGZVFWFLSA-N 1 0 342.491 2.560 20 10 EFCDRO CCCCn1c([C@@H]2CCC[NH2+]C2)nnc1N(C)Cc1ccccc1O ZINC001577478418 1089997161 /nfs/dbraw/zinc/99/71/61/1089997161.db2.gz VYDBPZYCTOOXEE-OAHLLOKOSA-N 1 0 343.475 2.887 20 10 EFCDRO CN(C)c1ccc(N(Cc2ccccn2)C(=O)C2=CC[C@H]([NH3+])C2)cc1 ZINC001578427212 1090369114 /nfs/dbraw/zinc/36/91/14/1090369114.db2.gz FGXSVNDMTIAVFQ-INIZCTEOSA-N 1 0 336.439 2.728 20 10 EFCDRO COC(C)(C)c1nsc(NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC001578898372 1090469481 /nfs/dbraw/zinc/46/94/81/1090469481.db2.gz XQFFLCQAXPMUIO-CYBMUJFWSA-N 1 0 335.477 2.598 20 10 EFCDRO COC1CCN(c2ccc(CN[C@@H]3[C@H](C)CC[NH2+][C@H]3C)cc2)CC1 ZINC001578941049 1090484160 /nfs/dbraw/zinc/48/41/60/1090484160.db2.gz NUVYOUFADVJCQQ-GQIGUUNPSA-N 1 0 331.504 2.778 20 10 EFCDRO COc1ccc(N2CCN(C(=O)[C@H]([NH3+])C3CCCCCC3)CC2)cc1 ZINC001579225073 1090551190 /nfs/dbraw/zinc/55/11/90/1090551190.db2.gz CWHKTBUSOSMLTN-LJQANCHMSA-N 1 0 345.487 2.642 20 10 EFCDRO COc1ccc(N(C)Cc2ccc(N3CC[NH2+]CC3)o2)cc1Cl ZINC001579224709 1090551687 /nfs/dbraw/zinc/55/16/87/1090551687.db2.gz SGHWKXPLOWRDPS-UHFFFAOYSA-N 1 0 335.835 2.988 20 10 EFCDRO CSCC[C@H]([NH2+]Cc1ccc(N)cc1)c1nnc2ccccn21 ZINC001579371534 1090598106 /nfs/dbraw/zinc/59/81/06/1090598106.db2.gz MHWSWQQKULAIKR-HNNXBMFYSA-N 1 0 327.457 2.896 20 10 EFCDRO CSCC[C@@H]([NH2+]Cc1ccc(N)cc1)c1nnc2ccccn21 ZINC001579371535 1090598681 /nfs/dbraw/zinc/59/86/81/1090598681.db2.gz MHWSWQQKULAIKR-OAHLLOKOSA-N 1 0 327.457 2.896 20 10 EFCDRO Cc1cc(CNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)c(C)n1-c1ccccc1 ZINC001579600901 1090640334 /nfs/dbraw/zinc/64/03/34/1090640334.db2.gz BJFYZIRLTGMMQQ-QAPCUYQASA-N 1 0 329.419 2.658 20 10 EFCDRO Cc1cc(CNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)c(C)n1-c1ccccc1 ZINC001579600900 1090640551 /nfs/dbraw/zinc/64/05/51/1090640551.db2.gz BJFYZIRLTGMMQQ-MAUKXSAKSA-N 1 0 329.419 2.658 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CC[C@@H]1COC(C)(C)[NH2+]1 ZINC001579617391 1090644121 /nfs/dbraw/zinc/64/41/21/1090644121.db2.gz PJIHUMOYJLMZDV-NVXWUHKLSA-N 1 0 347.503 2.613 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC[C@@H]([NH3+])C(C)C)ccc1C ZINC001579662740 1090656529 /nfs/dbraw/zinc/65/65/29/1090656529.db2.gz XYQGPEMUBRGEOI-GOSISDBHSA-N 1 0 341.455 2.928 20 10 EFCDRO Cc1cc(CNC(=O)N2CC[NH2+][C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC001579748248 1090677725 /nfs/dbraw/zinc/67/77/25/1090677725.db2.gz WGZMMLMUGDMKMU-HNNXBMFYSA-N 1 0 340.471 2.906 20 10 EFCDRO [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)NCc1cccc(Cl)c1O ZINC001580134080 1090785975 /nfs/dbraw/zinc/78/59/75/1090785975.db2.gz HNMNGXNXPKDLPO-OAHLLOKOSA-N 1 0 344.798 2.978 20 10 EFCDRO CSc1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1-c1nn[nH]n1 ZINC001580233388 1090821542 /nfs/dbraw/zinc/82/15/42/1090821542.db2.gz LLPVGNFPYJPSMO-UHFFFAOYSA-N 1 0 345.403 2.723 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)CCC2CCOCC2)cc1C ZINC001167588628 1092931281 /nfs/dbraw/zinc/93/12/81/1092931281.db2.gz WYHQCKDUPUJCQI-UHFFFAOYSA-N 1 0 348.487 2.806 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cc(-c2nn[nH]n2)ccn1 ZINC001589971030 1093202538 /nfs/dbraw/zinc/20/25/38/1093202538.db2.gz UIHDPFNYNZKGOK-CQSZACIVSA-N 1 0 349.442 2.713 20 10 EFCDRO CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590688169 1093549406 /nfs/dbraw/zinc/54/94/06/1093549406.db2.gz XCULRDPHZYNWCC-KBPBESRZSA-N 1 0 346.479 2.733 20 10 EFCDRO COc1ccc(O)c(C[N@H+](C)[C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC001591618142 1093801385 /nfs/dbraw/zinc/80/13/85/1093801385.db2.gz FJUIVVFRJZCNSF-LBPRGKRZSA-N 1 0 339.399 2.774 20 10 EFCDRO Cc1cc(O)c(C[NH2+]CCc2ccc(-c3nn[nH]n3)cc2)cc1Cl ZINC001605745051 1097214271 /nfs/dbraw/zinc/21/42/71/1097214271.db2.gz XDMVYYXJESLDNV-UHFFFAOYSA-N 1 0 343.818 2.866 20 10 EFCDRO Oc1cccc(Cl)c1C[NH2+]CCc1ccc(-c2nn[nH]n2)cc1 ZINC001607112086 1097518581 /nfs/dbraw/zinc/51/85/81/1097518581.db2.gz TUSRNPQRPHXOKQ-UHFFFAOYSA-N 1 0 329.791 2.558 20 10 EFCDRO O=C(c1cccc(O)c1O)N1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001269608162 1098286191 /nfs/dbraw/zinc/28/61/91/1098286191.db2.gz XHSXREIUNHMJCQ-GASCZTMLSA-N 1 0 344.455 2.824 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c(O)c1 ZINC001609420280 1098304513 /nfs/dbraw/zinc/30/45/13/1098304513.db2.gz CBUZQQXFWWTXFD-NSHDSACASA-N 1 0 327.363 2.871 20 10 EFCDRO O=C(c1ccc(O)c(O)c1)N1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001270037555 1098622873 /nfs/dbraw/zinc/62/28/73/1098622873.db2.gz LVDRORFLVBUDGD-UHFFFAOYSA-N 1 0 344.455 2.969 20 10 EFCDRO COc1cc(N2CC[NH+](CC3=CCCC3)CC2)cc(OC)c1OC ZINC000828263400 1099369610 /nfs/dbraw/zinc/36/96/10/1099369610.db2.gz SKAQRSUXDIPESB-UHFFFAOYSA-N 1 0 332.444 2.945 20 10 EFCDRO O=C1CCCN1C1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000729467494 1099409318 /nfs/dbraw/zinc/40/93/18/1099409318.db2.gz FFELCNDFCRVSLO-UHFFFAOYSA-N 1 0 325.412 2.527 20 10 EFCDRO CN(C)c1ccc(/C=C/C(=O)N2CC3(C2)C[NH+](C2CCCC2)C3)cc1 ZINC001270930998 1100277795 /nfs/dbraw/zinc/27/77/95/1100277795.db2.gz FRCRUFBOTKDCJO-FMIVXFBMSA-N 1 0 339.483 2.853 20 10 EFCDRO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000840145759 1100848127 /nfs/dbraw/zinc/84/81/27/1100848127.db2.gz FXPZWRZWGVLWMM-OAHLLOKOSA-N 1 0 349.475 2.631 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)CC[NH+]1CCCC1 ZINC000840479098 1101091476 /nfs/dbraw/zinc/09/14/76/1101091476.db2.gz LRHUQNLUGFCPEQ-QGZVFWFLSA-N 1 0 346.519 2.729 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)CC[NH+]1CCCC1 ZINC000840479097 1101091560 /nfs/dbraw/zinc/09/15/60/1101091560.db2.gz LRHUQNLUGFCPEQ-KRWDZBQOSA-N 1 0 346.519 2.729 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOC(=O)Cc2ccccc2)c1 ZINC001642503977 1101218018 /nfs/dbraw/zinc/21/80/18/1101218018.db2.gz DMAKDRLJSGPFBB-CQSZACIVSA-N 1 0 329.396 2.837 20 10 EFCDRO COc1ccc(N(Cc2ccccc2)C2(C[NH3+])COC2)c2ccncc12 ZINC001167378292 1101316751 /nfs/dbraw/zinc/31/67/51/1101316751.db2.gz KVBACOFWOFGMLA-UHFFFAOYSA-N 1 0 349.434 2.978 20 10 EFCDRO COc1ccc2c(c1)c1c(n2C)CCN(C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208608352 1101400859 /nfs/dbraw/zinc/40/08/59/1101400859.db2.gz HKTMCGDHJLIRBY-OAHLLOKOSA-N 1 0 327.472 2.887 20 10 EFCDRO CSc1ncc(C)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001167423344 1101575385 /nfs/dbraw/zinc/57/53/85/1101575385.db2.gz WDWXBLUKJFIQCB-UHFFFAOYSA-N 1 0 343.500 2.871 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN=c3cccc(Cl)n3F)cc2)CC1 ZINC001167426263 1101583557 /nfs/dbraw/zinc/58/35/57/1101583557.db2.gz DZXCDDMXWJNHBL-UHFFFAOYSA-N 1 0 334.826 2.727 20 10 EFCDRO COc1c(F)nccc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167431386 1101616633 /nfs/dbraw/zinc/61/66/33/1101616633.db2.gz WZNIMHFYFNGOOD-UHFFFAOYSA-N 1 0 330.407 2.593 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ccc4c(c3)OCO4)cc2)CC1 ZINC001167434742 1101663637 /nfs/dbraw/zinc/66/36/37/1101663637.db2.gz VILWJNYNKZGTOX-UHFFFAOYSA-N 1 0 325.412 2.779 20 10 EFCDRO CC[C@@H]([NH2+][C@@H]1COC[C@@H]1OC)c1cc(Br)ccc1O ZINC000840826273 1101754303 /nfs/dbraw/zinc/75/43/03/1101754303.db2.gz JJOKFVUEQQMUDZ-BZPMIXESSA-N 1 0 330.222 2.609 20 10 EFCDRO O=C(/C=C\c1ccc(O)c(O)c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000588405632 1101923777 /nfs/dbraw/zinc/92/37/77/1101923777.db2.gz UNJLZTKMDXMHPC-VURMDHGXSA-N 1 0 344.455 2.882 20 10 EFCDRO O=C(CCc1ccc(O)c(O)c1)N1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001271833883 1102858043 /nfs/dbraw/zinc/85/80/43/1102858043.db2.gz KKETUSNSZIXKEA-IRXDYDNUSA-N 1 0 344.455 2.648 20 10 EFCDRO Cc1cccc([C@H](O)C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000905706359 1103516827 /nfs/dbraw/zinc/51/68/27/1103516827.db2.gz UFDXJOYFBNBEIN-NHCUHLMSSA-N 1 0 341.499 2.987 20 10 EFCDRO CC(=O)c1cc(F)cc(Cn2cc(CN(C)C(C)(C)C)nn2)c1O ZINC000905784202 1103629788 /nfs/dbraw/zinc/62/97/88/1103629788.db2.gz OOSZARQOCFVJHV-UHFFFAOYSA-N 1 0 334.395 2.604 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H](N)C(C)(C)[NH3+])n2)cc1 ZINC001212162625 1104209471 /nfs/dbraw/zinc/20/94/71/1104209471.db2.gz LCPBDAHVLMHXJT-HNNXBMFYSA-N 1 0 325.416 2.881 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000841655373 1104341720 /nfs/dbraw/zinc/34/17/20/1104341720.db2.gz RMGVWXTUWDICCA-GOSISDBHSA-N 1 0 344.503 2.672 20 10 EFCDRO Cc1cc(C(=O)N2CCC(C[NH+](C)C)CC2)c(C)n1-c1ccccn1 ZINC000729628310 1104620390 /nfs/dbraw/zinc/62/03/90/1104620390.db2.gz ZBJPVMMJUYDFHE-UHFFFAOYSA-N 1 0 340.471 2.903 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000841719243 1104745171 /nfs/dbraw/zinc/74/51/71/1104745171.db2.gz HBFOANCWCNTLNO-RDJZCZTQSA-N 1 0 332.492 2.720 20 10 EFCDRO Cc1cn2nc(NC[C@H](c3ccc(N(C)C)cc3)[NH+](C)C)sc2n1 ZINC000897524652 1104920404 /nfs/dbraw/zinc/92/04/04/1104920404.db2.gz BMTGCTFKSSONOK-OAHLLOKOSA-N 1 0 344.488 2.880 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)Cc3ccoc3)C2)cc1C ZINC000988695724 1105029165 /nfs/dbraw/zinc/02/91/65/1105029165.db2.gz YAYXATHUZIISSK-CRAIPNDOSA-N 1 0 342.439 2.918 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000127673387 1105073913 /nfs/dbraw/zinc/07/39/13/1105073913.db2.gz BHOPIVSSFZXYBY-GOSISDBHSA-N 1 0 330.476 2.522 20 10 EFCDRO COc1ccc(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)cc1Cn1cccn1 ZINC000897533586 1105218884 /nfs/dbraw/zinc/21/88/84/1105218884.db2.gz HCCNLLHUDFAQPA-HKUYNNGSSA-N 1 0 343.471 2.971 20 10 EFCDRO CCCN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CC[NH2+]CC1 ZINC000841882552 1105804475 /nfs/dbraw/zinc/80/44/75/1105804475.db2.gz JZIUGIFBHDDRDW-OAHLLOKOSA-N 1 0 332.492 2.987 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3conc3C)C2)cc1C ZINC000989392622 1105851629 /nfs/dbraw/zinc/85/16/29/1105851629.db2.gz VMLONHXNVYTANR-BBRMVZONSA-N 1 0 343.427 2.693 20 10 EFCDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841946999 1106025258 /nfs/dbraw/zinc/02/52/58/1106025258.db2.gz DGXVODYLOGCNHH-YOEHRIQHSA-N 1 0 331.460 2.588 20 10 EFCDRO C[C@H]1C[N@H+](Cc2cc(F)c(F)cc2[O-])CC[C@@]1(O)C(F)(F)F ZINC001142508977 1106041099 /nfs/dbraw/zinc/04/10/99/1106041099.db2.gz RKORSPDHWYYOPJ-SDBXPKJASA-N 1 0 325.277 2.806 20 10 EFCDRO CC[N@H+](CCC(=O)NC)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000897710317 1106060202 /nfs/dbraw/zinc/06/02/02/1106060202.db2.gz RICURGKECRNASG-UHFFFAOYSA-N 1 0 331.382 2.729 20 10 EFCDRO C[C@H](CCC[NH3+])NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841999131 1106135713 /nfs/dbraw/zinc/13/57/13/1106135713.db2.gz AZLZKJLUHZJXAV-CQSZACIVSA-N 1 0 331.416 2.824 20 10 EFCDRO CC[C@@H]([NH3+])CNC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000842006285 1106169257 /nfs/dbraw/zinc/16/92/57/1106169257.db2.gz LMBOZRVIUUPUEP-MRXNPFEDSA-N 1 0 344.459 2.795 20 10 EFCDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000897967532 1106171068 /nfs/dbraw/zinc/17/10/68/1106171068.db2.gz SCWONHSROIOEIP-INIZCTEOSA-N 1 0 325.456 2.764 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000842015315 1106177271 /nfs/dbraw/zinc/17/72/71/1106177271.db2.gz MPZIQNNCGUBYOZ-FGTMMUONSA-N 1 0 344.503 2.672 20 10 EFCDRO Cc1cc(C(O)=CONC(=[NH2+])C(C)C)c(C)n1-c1ccc(F)cn1 ZINC000842040310 1106247962 /nfs/dbraw/zinc/24/79/62/1106247962.db2.gz SQTYARMGDQOGJU-UHFFFAOYSA-N 1 0 332.379 2.965 20 10 EFCDRO COc1ccc(C[N@H+](CCCO)Cc2cc(OC)ccc2O)cc1 ZINC000898173065 1106259881 /nfs/dbraw/zinc/25/98/81/1106259881.db2.gz HWPFHUBQNJIJHR-UHFFFAOYSA-N 1 0 331.412 2.794 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3nccs3)C2)cc1C ZINC000989602450 1106471660 /nfs/dbraw/zinc/47/16/60/1106471660.db2.gz UELDILYESCPKGK-HIFRSBDPSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3oncc3C)C2)cc1C ZINC000989635817 1106499205 /nfs/dbraw/zinc/49/92/05/1106499205.db2.gz QIUXEXUBFGEDLA-GOEBONIOSA-N 1 0 343.427 2.693 20 10 EFCDRO C[C@H]1C[C@H]([NH2+]CC2CCC2)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000989839424 1106691311 /nfs/dbraw/zinc/69/13/11/1106691311.db2.gz YXZVCOJAYNSFBM-LRDDRELGSA-N 1 0 343.431 2.842 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccccn3)CC2)cc1C ZINC000989855415 1106717968 /nfs/dbraw/zinc/71/79/68/1106717968.db2.gz PIUAWPTXRCGHAF-UHFFFAOYSA-N 1 0 339.439 2.793 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccc[nH]3)CC2)cc1C ZINC000989940031 1106965385 /nfs/dbraw/zinc/96/53/85/1106965385.db2.gz WHMNLRORALBYFA-UHFFFAOYSA-N 1 0 327.428 2.726 20 10 EFCDRO Fc1cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)ccc1N1CCOCC1 ZINC000093506121 1107183217 /nfs/dbraw/zinc/18/32/17/1107183217.db2.gz LFPNVVKWFDXLQF-VQIMIIECSA-N 1 0 334.435 2.663 20 10 EFCDRO CC[C@@H](F)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001089067991 1107404074 /nfs/dbraw/zinc/40/40/74/1107404074.db2.gz GHOHNYQQTVMGAB-KYOSRNDESA-N 1 0 349.410 2.790 20 10 EFCDRO CC[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001272385613 1108146629 /nfs/dbraw/zinc/14/66/29/1108146629.db2.gz DAEKAQGLYIKYHU-CJNGLKHVSA-N 1 0 332.444 2.615 20 10 EFCDRO O=C(NC1CCCC1)[C@@H]1CC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001272386609 1108150824 /nfs/dbraw/zinc/15/08/24/1108150824.db2.gz OKQXWUNISCSQBT-KRWDZBQOSA-N 1 0 344.455 2.759 20 10 EFCDRO CCCCN1CCC2(CC[NH+](Cc3cc(O)ccc3O)CC2)C1=O ZINC001272387091 1108151201 /nfs/dbraw/zinc/15/12/01/1108151201.db2.gz SVNWZBLYXASSAP-UHFFFAOYSA-N 1 0 332.444 2.712 20 10 EFCDRO CC(C)=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(O)ccc2O)C1=O ZINC001272387286 1108152825 /nfs/dbraw/zinc/15/28/25/1108152825.db2.gz VVVFZGZHVPUEDY-LJQANCHMSA-N 1 0 330.428 2.631 20 10 EFCDRO CC[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(O)ccc1O ZINC001272387315 1108152971 /nfs/dbraw/zinc/15/29/71/1108152971.db2.gz WNKPBBVJPGHUQQ-IFXJQAMLSA-N 1 0 332.444 2.853 20 10 EFCDRO CN1CCCc2cc(C[NH2+]C[C@@H](O)CC3(O)CCCCC3)ccc21 ZINC000905074964 1108399602 /nfs/dbraw/zinc/39/96/02/1108399602.db2.gz GYCXRZQVGWMLPF-SFHVURJKSA-N 1 0 332.488 2.605 20 10 EFCDRO CCC[N@@H+]1CCC[C@]2(CC(=O)N(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001272462566 1108400176 /nfs/dbraw/zinc/40/01/76/1108400176.db2.gz PQVINUOHIDUKRZ-FQEVSTJZSA-N 1 0 343.471 2.504 20 10 EFCDRO C[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1ccc(Br)cc1O ZINC000927004695 1108554618 /nfs/dbraw/zinc/55/46/18/1108554618.db2.gz UXQJNDDSTXOAAL-SNVBAGLBSA-N 1 0 342.233 2.958 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)cc1C ZINC000030669257 1108747593 /nfs/dbraw/zinc/74/75/93/1108747593.db2.gz NQUZBYQKXDSRDG-UHFFFAOYSA-N 1 0 328.412 2.991 20 10 EFCDRO CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000924715734 1108839380 /nfs/dbraw/zinc/83/93/80/1108839380.db2.gz MNHBVVPVZHVONE-KKBFJZEXSA-N 1 0 336.451 2.954 20 10 EFCDRO Cc1nn(C)c(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1Cl ZINC000898448757 1108942867 /nfs/dbraw/zinc/94/28/67/1108942867.db2.gz WHCOJSKMDQKTIU-MRXNPFEDSA-N 1 0 349.910 2.840 20 10 EFCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449894 1108943765 /nfs/dbraw/zinc/94/37/65/1108943765.db2.gz LGDLZCPWOLAHCE-VQIMIIECSA-N 1 0 348.535 2.592 20 10 EFCDRO CC(C)n1nccc1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450908 1108944161 /nfs/dbraw/zinc/94/41/61/1108944161.db2.gz VNUXXHLGHBSEKD-LJQANCHMSA-N 1 0 329.492 2.923 20 10 EFCDRO C[C@@H](O)c1ncc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000898449928 1108944176 /nfs/dbraw/zinc/94/41/76/1108944176.db2.gz LWHHWGPXIPCJJW-CXAGYDPISA-N 1 0 348.516 2.655 20 10 EFCDRO CCCn1nccc1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898447767 1108949343 /nfs/dbraw/zinc/94/93/43/1108949343.db2.gz LLIQMJXODCQEIQ-LJQANCHMSA-N 1 0 329.492 2.752 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2c(C3CC3)cnn2C)N(C)C)cc1 ZINC000898447774 1108949650 /nfs/dbraw/zinc/94/96/50/1108949650.db2.gz LURBBBKMWGSWDI-LJQANCHMSA-N 1 0 341.503 2.756 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@H]3CCCC[C@@H]32)[NH+](C)C)cc1 ZINC000899097806 1109200405 /nfs/dbraw/zinc/20/04/05/1109200405.db2.gz HGGJGVSJZIOSAV-YTQUADARSA-N 1 0 344.503 2.939 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H](C3CC3)C2)[NH+](C)C)cc1 ZINC000899101403 1109202143 /nfs/dbraw/zinc/20/21/43/1109202143.db2.gz HSYSGEBJMRJYKD-HKUYNNGSSA-N 1 0 344.503 2.797 20 10 EFCDRO CCN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CCC1 ZINC000899103303 1109202699 /nfs/dbraw/zinc/20/26/99/1109202699.db2.gz YPXFACYYGRBCRW-GOSISDBHSA-N 1 0 332.492 2.939 20 10 EFCDRO C[C@@H]1C[C@@H](C)N(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899102765 1109203086 /nfs/dbraw/zinc/20/30/86/1109203086.db2.gz RMPKNBBORFVLPK-IIDMSEBBSA-N 1 0 332.492 2.795 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C2CC2)C2CC2)[NH+](C)C)cc1 ZINC000899098229 1109206893 /nfs/dbraw/zinc/20/68/93/1109206893.db2.gz MTSXZABMJFNPHN-GOSISDBHSA-N 1 0 330.476 2.692 20 10 EFCDRO CN(C)c1ccc([C@H](CNc2ncnc3ncccc32)[NH+](C)C)cc1 ZINC000899262444 1109267560 /nfs/dbraw/zinc/26/75/60/1109267560.db2.gz LFJAFJAULNYCSX-KRWDZBQOSA-N 1 0 336.443 2.806 20 10 EFCDRO CC[C@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3cc(C)ccc3O)C2)C1=O ZINC001272622372 1111759562 /nfs/dbraw/zinc/75/95/62/1111759562.db2.gz GUKPTRTUEKASJM-YWZLYKJASA-N 1 0 344.455 2.840 20 10 EFCDRO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C)ccc1O ZINC001272623196 1111760669 /nfs/dbraw/zinc/76/06/69/1111760669.db2.gz XPRCOJXJGLYXKH-YWZLYKJASA-N 1 0 344.455 2.635 20 10 EFCDRO CCCCN1CC[C@@]2(CC[N@H+](Cc3ccc(OC)cc3O)C2)C1=O ZINC001272625244 1111765644 /nfs/dbraw/zinc/76/56/44/1111765644.db2.gz JBZBHBCBNHEILJ-LJQANCHMSA-N 1 0 332.444 2.625 20 10 EFCDRO CC[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(OC)cc1O)CC2 ZINC001272625609 1111766007 /nfs/dbraw/zinc/76/60/07/1111766007.db2.gz MWCFSEWULKGQBD-WMLDXEAASA-N 1 0 346.471 2.918 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@]3(CCN(CC(C)C)C3=O)C2)c1O ZINC001272625822 1111766898 /nfs/dbraw/zinc/76/68/98/1111766898.db2.gz OPWUASDFRIULLA-HXUWFJFHSA-N 1 0 346.471 2.871 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC3(CCC(=O)N(C)C3)CC2)c1O ZINC001272626076 1111766966 /nfs/dbraw/zinc/76/69/66/1111766966.db2.gz SHBVPCJIICUYGI-UHFFFAOYSA-N 1 0 332.444 2.625 20 10 EFCDRO CC[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(OC)cc2O)C1=O ZINC001272625880 1111767191 /nfs/dbraw/zinc/76/71/91/1111767191.db2.gz PLZWIMCGDPPCMY-AUUYWEPGSA-N 1 0 332.444 2.766 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(CCN(CC=C(C)C)C3=O)C2)c1 ZINC001272638830 1111798025 /nfs/dbraw/zinc/79/80/25/1111798025.db2.gz VURQESGPEWKWDU-FQEVSTJZSA-N 1 0 344.455 2.791 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)NCC(C)C)CC2)c1 ZINC001272639271 1111799194 /nfs/dbraw/zinc/79/91/94/1111799194.db2.gz YAWJNDGFFGILFQ-KRWDZBQOSA-N 1 0 346.471 2.775 20 10 EFCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2CCCC2)c1O ZINC001272659518 1111943217 /nfs/dbraw/zinc/94/32/17/1111943217.db2.gz BAJCDJSOJQNYID-IAGOWNOFSA-N 1 0 344.455 2.914 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+]CCOCC(F)(F)F ZINC000691500088 1111954661 /nfs/dbraw/zinc/95/46/61/1111954661.db2.gz APQKXMYAIYNBAQ-UHFFFAOYSA-N 1 0 328.128 2.823 20 10 EFCDRO COc1cc(CN(C)[C@@]2(C)CCC[NH2+]C2)c(O)cc1Br ZINC001236204431 1112244549 /nfs/dbraw/zinc/24/45/49/1112244549.db2.gz ADLINPICUXKGGI-HNNXBMFYSA-N 1 0 343.265 2.737 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(OC)CC2)c(Br)c1 ZINC001237062329 1118567971 /nfs/dbraw/zinc/56/79/71/1118567971.db2.gz LXXDLDGPLYDLFT-UHFFFAOYSA-N 1 0 330.222 2.774 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCc2ccc(F)cc2)c1 ZINC000182451433 1118608885 /nfs/dbraw/zinc/60/88/85/1118608885.db2.gz DMCNSKRWKCESOY-GFCCVEGCSA-N 1 0 332.375 2.507 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CN[C@@H](C)c3nccn3C)cc2F)CC1 ZINC000182885750 1118670247 /nfs/dbraw/zinc/67/02/47/1118670247.db2.gz PWNPWFLDAWTLHD-HNNXBMFYSA-N 1 0 345.466 2.552 20 10 EFCDRO CN1CCCc2cc(CNC(=O)CC3(C[NH3+])CCCCC3)ccc21 ZINC000184229788 1118969671 /nfs/dbraw/zinc/96/96/71/1118969671.db2.gz VROHJUIFJASCCI-UHFFFAOYSA-N 1 0 329.488 2.985 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000185189318 1119850561 /nfs/dbraw/zinc/85/05/61/1119850561.db2.gz YHWFOQCOQOWNML-CQSZACIVSA-N 1 0 349.475 2.883 20 10 EFCDRO CC[C@H](OC)C(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C(C)(C)C1 ZINC000995547481 1120260639 /nfs/dbraw/zinc/26/06/39/1120260639.db2.gz WKIWCWJMERAIJA-FUHWJXTLSA-N 1 0 348.487 2.755 20 10 EFCDRO CC[C@@H](OC)C(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C(C)(C)C1 ZINC000995547476 1120260642 /nfs/dbraw/zinc/26/06/42/1120260642.db2.gz WKIWCWJMERAIJA-AEFFLSMTSA-N 1 0 348.487 2.755 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2cccs2)[NH+](C)C)cc1 ZINC000038635165 1120560325 /nfs/dbraw/zinc/56/03/25/1120560325.db2.gz OEKCVIPUKWXFLV-KRWDZBQOSA-N 1 0 331.485 2.776 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000185791190 1120623282 /nfs/dbraw/zinc/62/32/82/1120623282.db2.gz BAGYTFPZWXXPAV-QWHCGFSZSA-N 1 0 325.474 2.745 20 10 EFCDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC000945219993 1120678359 /nfs/dbraw/zinc/67/83/59/1120678359.db2.gz FGZAINWRXXQWST-SWLSCSKDSA-N 1 0 331.420 2.699 20 10 EFCDRO C[NH+]1CCC(CCNC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000170896237 530048903 /nfs/dbraw/zinc/04/89/03/530048903.db2.gz OPLOQPWGBVTLNC-UHFFFAOYSA-N 1 0 344.503 2.818 20 10 EFCDRO CCNC(=O)[C@H](C)[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000036795154 213118808 /nfs/dbraw/zinc/11/88/08/213118808.db2.gz YOKBRALBZPEXME-JOYOIKCWSA-N 1 0 329.238 2.720 20 10 EFCDRO C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273606689 299283938 /nfs/dbraw/zinc/28/39/38/299283938.db2.gz UHSUQTXRLXXEAF-JTQLQIEISA-N 1 0 333.259 2.806 20 10 EFCDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000160638001 239054152 /nfs/dbraw/zinc/05/41/52/239054152.db2.gz IYIGMBYJEHRSRJ-OGWOLHLISA-N 1 0 336.451 2.864 20 10 EFCDRO C[NH+](C)[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000171632873 239153299 /nfs/dbraw/zinc/15/32/99/239153299.db2.gz JAACZHWFJXEURB-SFHVURJKSA-N 1 0 330.476 2.522 20 10 EFCDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000175861940 239289491 /nfs/dbraw/zinc/28/94/91/239289491.db2.gz FPJOOGMKEJISEL-PKOBYXMFSA-N 1 0 344.503 2.959 20 10 EFCDRO Cc1cccc(C[NH2+]CCCN2C(=O)COc3ccccc32)c1O ZINC000182493414 239538519 /nfs/dbraw/zinc/53/85/19/239538519.db2.gz ROYHBVHDNSKGBX-UHFFFAOYSA-N 1 0 326.396 2.606 20 10 EFCDRO Cc1ccccc1C[NH+]1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000022815133 212326761 /nfs/dbraw/zinc/32/67/61/212326761.db2.gz IFAZNLLLZKCDTQ-UHFFFAOYSA-N 1 0 340.423 2.747 20 10 EFCDRO Cc1cccc(C[NH+]2CCN(Cc3cc4c(cc3O)OCO4)CC2)c1 ZINC000022815658 212326588 /nfs/dbraw/zinc/32/65/88/212326588.db2.gz DJMFEXKAGFGSOW-UHFFFAOYSA-N 1 0 340.423 2.747 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2=O)c1 ZINC000191809295 240007869 /nfs/dbraw/zinc/00/78/69/240007869.db2.gz QXQBJRQXSWWCQX-SFHVURJKSA-N 1 0 340.423 2.600 20 10 EFCDRO COc1cccc(C[NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2=O)c1O ZINC000191801401 240008278 /nfs/dbraw/zinc/00/82/78/240008278.db2.gz PRDUASDQVVZGJR-KRWDZBQOSA-N 1 0 340.423 2.600 20 10 EFCDRO Cc1ccc([C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)N2CCCC2)o1 ZINC000237973654 240248812 /nfs/dbraw/zinc/24/88/12/240248812.db2.gz CPOLQSLMUIUDNG-OAHLLOKOSA-N 1 0 344.411 2.949 20 10 EFCDRO CCCN(Cc1cnc(N2CCOCC2)s1)c1ccc(C[NH3+])cc1 ZINC000194979038 240194358 /nfs/dbraw/zinc/19/43/58/240194358.db2.gz KQWMJSCJHVKMPI-UHFFFAOYSA-N 1 0 346.500 2.855 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236919278 240236194 /nfs/dbraw/zinc/23/61/94/240236194.db2.gz AJBHXFDOJVJBGK-GXFFZTMASA-N 1 0 341.249 2.631 20 10 EFCDRO CCC[C@@H]([NH3+])C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000236898440 240236695 /nfs/dbraw/zinc/23/66/95/240236695.db2.gz CSVGUGVBDIMPNR-GFCCVEGCSA-N 1 0 329.238 2.631 20 10 EFCDRO Cc1cc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c(C)n1-c1ccccn1 ZINC000237360479 240242521 /nfs/dbraw/zinc/24/25/21/240242521.db2.gz MTLRFLYEYBVARP-ZBFHGGJFSA-N 1 0 326.444 2.689 20 10 EFCDRO C[C@@H]1CCCN(C(=O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000255830829 240311448 /nfs/dbraw/zinc/31/14/48/240311448.db2.gz DGCBYPQYMGJHLO-SJLPKXTDSA-N 1 0 346.471 2.632 20 10 EFCDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)Cc1ccccc1O ZINC000249779641 240303033 /nfs/dbraw/zinc/30/30/33/240303033.db2.gz OXEYZJYKNWNOGZ-XHSDSOJGSA-N 1 0 333.476 2.900 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1O ZINC000245551436 240258454 /nfs/dbraw/zinc/25/84/54/240258454.db2.gz BHISQYYMSXKRPW-XYJFISCASA-N 1 0 348.487 2.865 20 10 EFCDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000246427872 240268060 /nfs/dbraw/zinc/26/80/60/240268060.db2.gz WESNORQJALDELC-MAUKXSAKSA-N 1 0 344.503 2.551 20 10 EFCDRO C[NH2+]CCC1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000261961467 240333029 /nfs/dbraw/zinc/33/30/29/240333029.db2.gz AEPUUWISOGRHPM-UHFFFAOYSA-N 1 0 340.471 2.951 20 10 EFCDRO Nc1ccc(CC(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)cc1 ZINC000261713717 240317999 /nfs/dbraw/zinc/31/79/99/240317999.db2.gz IVGHYMDJMVVKFU-QGZVFWFLSA-N 1 0 329.831 2.638 20 10 EFCDRO Cc1cc(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])c(C)n1-c1ccccn1 ZINC000261691488 240320039 /nfs/dbraw/zinc/32/00/39/240320039.db2.gz DXXXFYQNZIRSPM-CZUORRHYSA-N 1 0 326.444 2.689 20 10 EFCDRO C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268806603 240558997 /nfs/dbraw/zinc/55/89/97/240558997.db2.gz CUAYIVOEFVLJHI-WMZOPIPTSA-N 1 0 349.494 2.923 20 10 EFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@]2(O)CCOC2)cc1 ZINC000270026457 240582396 /nfs/dbraw/zinc/58/23/96/240582396.db2.gz XNYQWJNMQSVKLG-OAQYLSRUSA-N 1 0 340.467 2.954 20 10 EFCDRO CCCNC(=O)CN1CCC([NH2+][C@@H](CC)c2ccc(C)cc2O)CC1 ZINC000280298051 240864293 /nfs/dbraw/zinc/86/42/93/240864293.db2.gz ZSKXHMOWKZOZRW-SFHVURJKSA-N 1 0 347.503 2.732 20 10 EFCDRO OCC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1 ZINC000288501258 241013144 /nfs/dbraw/zinc/01/31/44/241013144.db2.gz RYPGKKKZUITJPI-CQSZACIVSA-N 1 0 335.787 2.988 20 10 EFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1O ZINC000291638666 241026397 /nfs/dbraw/zinc/02/63/97/241026397.db2.gz DPVFJZUYJHIXJJ-FQEVSTJZSA-N 1 0 343.398 2.870 20 10 EFCDRO Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCc3cccc(O)c32)cc1F ZINC000296057587 241074825 /nfs/dbraw/zinc/07/48/25/241074825.db2.gz RNQYABVKCYYVPC-MRXNPFEDSA-N 1 0 328.387 2.847 20 10 EFCDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)C(C)C ZINC000296245413 241078830 /nfs/dbraw/zinc/07/88/30/241078830.db2.gz LGKXYIMEDJEHBV-HNNXBMFYSA-N 1 0 340.851 2.841 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2F)CC1 ZINC000296284391 241081890 /nfs/dbraw/zinc/08/18/90/241081890.db2.gz FIEMDNPMBYLISU-INIZCTEOSA-N 1 0 348.462 2.978 20 10 EFCDRO O=C1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CN1c1ccccc1F ZINC000296636118 241093203 /nfs/dbraw/zinc/09/32/03/241093203.db2.gz BRCZMSYEGRUILJ-DZGCQCFKSA-N 1 0 326.371 2.914 20 10 EFCDRO O=C1[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CCN1c1ccccc1F ZINC000297082987 241110246 /nfs/dbraw/zinc/11/02/46/241110246.db2.gz WWBVPYGQISRGOT-LSDHHAIUSA-N 1 0 326.371 2.914 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000297190047 241116430 /nfs/dbraw/zinc/11/64/30/241116430.db2.gz WVIKDOAPAQZCOH-UHFFFAOYSA-N 1 0 344.503 2.911 20 10 EFCDRO CC[C@H](C)[NH+]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000297248513 241118626 /nfs/dbraw/zinc/11/86/26/241118626.db2.gz NMWOMRFCEGBXED-KRWDZBQOSA-N 1 0 342.487 2.689 20 10 EFCDRO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000295874247 241064851 /nfs/dbraw/zinc/06/48/51/241064851.db2.gz GMUYNKMOGPIAHV-GJZGRUSLSA-N 1 0 348.443 2.605 20 10 EFCDRO CC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCOC(C)(C)C1 ZINC000298692777 241155564 /nfs/dbraw/zinc/15/55/64/241155564.db2.gz ZOARWDZQIQIWLR-SFHVURJKSA-N 1 0 347.503 2.648 20 10 EFCDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCc2ccccc2O)C1 ZINC000299512046 241179932 /nfs/dbraw/zinc/17/99/32/241179932.db2.gz ODLQQMFWJMYNOP-HZPDHXFCSA-N 1 0 333.476 2.950 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297542919 241124271 /nfs/dbraw/zinc/12/42/71/241124271.db2.gz OXFVEHRVCNKCHD-JLYLLQBASA-N 1 0 344.503 2.909 20 10 EFCDRO Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CCCCNC2=O)c1O ZINC000367728225 242390292 /nfs/dbraw/zinc/39/02/92/242390292.db2.gz UYOLFOBNGLLYGS-ZDUSSCGKSA-N 1 0 341.249 2.564 20 10 EFCDRO Cc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC000367975353 242399643 /nfs/dbraw/zinc/39/96/43/242399643.db2.gz XGHPMGTXXOLBGV-IBGZPJMESA-N 1 0 338.451 2.925 20 10 EFCDRO COCCOC1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CCOCC1 ZINC000296567075 285083366 /nfs/dbraw/zinc/08/33/66/285083366.db2.gz SPOVUAQHNOAMAU-INIZCTEOSA-N 1 0 337.460 2.872 20 10 EFCDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2cccc(C)c2O)cc1 ZINC000154874490 224319532 /nfs/dbraw/zinc/31/95/32/224319532.db2.gz NIKGMHOFVCKZQL-HNNXBMFYSA-N 1 0 333.453 2.961 20 10 EFCDRO C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000171130748 533396980 /nfs/dbraw/zinc/39/69/80/533396980.db2.gz PCLPTEOIFWQFIU-OAHLLOKOSA-N 1 0 349.475 2.699 20 10 EFCDRO COc1cc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCCC3)C2)cc1OC ZINC000301937893 286248514 /nfs/dbraw/zinc/24/85/14/286248514.db2.gz SFPIYUJTKJGJFD-ZDUSSCGKSA-N 1 0 335.404 2.677 20 10 EFCDRO CC[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccccc1O ZINC000285859342 286909670 /nfs/dbraw/zinc/90/96/70/286909670.db2.gz ZOHXNJFZAHBLNR-UKRRQHHQSA-N 1 0 332.366 2.696 20 10 EFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000237150982 273821718 /nfs/dbraw/zinc/82/17/18/273821718.db2.gz LBHHWDOWSIVCFZ-INIZCTEOSA-N 1 0 325.412 2.568 20 10 EFCDRO Cc1ncc(/C=C/C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)s1 ZINC000370504292 274855808 /nfs/dbraw/zinc/85/58/08/274855808.db2.gz GGADYRZOQLDDKZ-MYSGNRETSA-N 1 0 343.452 2.821 20 10 EFCDRO CCOc1cccc(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)c1O ZINC000154938876 276380386 /nfs/dbraw/zinc/38/03/86/276380386.db2.gz ULFXWHKHUFTTCV-INIZCTEOSA-N 1 0 349.452 2.666 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1O ZINC000281266889 278010945 /nfs/dbraw/zinc/01/09/45/278010945.db2.gz YHQNVBZMXRTMNS-MRXNPFEDSA-N 1 0 340.423 2.886 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(N2CCCCCC2)cc1 ZINC000268908165 278352120 /nfs/dbraw/zinc/35/21/20/278352120.db2.gz MGMUQTUYROGGTM-WIYYLYMNSA-N 1 0 344.547 2.963 20 10 EFCDRO COc1cc([N+](=O)[O-])c(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1OC ZINC000292288026 295027166 /nfs/dbraw/zinc/02/71/66/295027166.db2.gz MVBBLGAGDYRYCR-ZDUSSCGKSA-N 1 0 349.431 2.923 20 10 EFCDRO Cc1ncc(/C=C/C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)s1 ZINC000112246861 473249956 /nfs/dbraw/zinc/24/99/56/473249956.db2.gz XKRYOHXVZMPILO-HVHJFMEUSA-N 1 0 327.453 2.984 20 10 EFCDRO CCCC[N@H+](CC(N)=O)Cc1cc(Br)cc(C)c1O ZINC000124551261 473261345 /nfs/dbraw/zinc/26/13/45/473261345.db2.gz NBYZCZZNLBWUGV-UHFFFAOYSA-N 1 0 329.238 2.551 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)c1 ZINC000184955633 473282269 /nfs/dbraw/zinc/28/22/69/473282269.db2.gz GPFFWCTYQCBAST-CYBMUJFWSA-N 1 0 330.432 2.612 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(=O)c3ccco3)CC2)c1 ZINC000184966950 473285134 /nfs/dbraw/zinc/28/51/34/473285134.db2.gz SNLLSWWYFBIFCR-CYBMUJFWSA-N 1 0 344.411 2.949 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1cc(F)ccc1O ZINC000184992464 473295460 /nfs/dbraw/zinc/29/54/60/473295460.db2.gz HBVGQGUEKZVTIW-RDTXWAMCSA-N 1 0 344.430 2.601 20 10 EFCDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000185179494 473352909 /nfs/dbraw/zinc/35/29/09/473352909.db2.gz GCXRIZHGJHNDSY-JTQLQIEISA-N 1 0 330.350 2.600 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc2ccccc2c1O ZINC000185179422 473353024 /nfs/dbraw/zinc/35/30/24/473353024.db2.gz ZMSCPFGYAXXYDY-SNVBAGLBSA-N 1 0 326.318 2.875 20 10 EFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000185195321 473357574 /nfs/dbraw/zinc/35/75/74/473357574.db2.gz RLIOJHYMZMRGBV-OAHLLOKOSA-N 1 0 348.468 2.638 20 10 EFCDRO COc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000185201768 473361560 /nfs/dbraw/zinc/36/15/60/473361560.db2.gz JPWBABAHNQHMHJ-GFCCVEGCSA-N 1 0 332.375 2.621 20 10 EFCDRO Cn1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 ZINC000113359173 473387214 /nfs/dbraw/zinc/38/72/14/473387214.db2.gz GTSUIPCKRGIVNG-MRXNPFEDSA-N 1 0 334.851 2.533 20 10 EFCDRO C[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1cc(F)ccc1O ZINC000185304009 473390355 /nfs/dbraw/zinc/39/03/55/473390355.db2.gz MOKBNUMAHNJDBI-LBPRGKRZSA-N 1 0 332.375 2.708 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)cc1C ZINC000042206822 472122930 /nfs/dbraw/zinc/12/29/30/472122930.db2.gz OOYYMCUKAUXEOJ-UHFFFAOYSA-N 1 0 328.412 2.991 20 10 EFCDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000068964566 472272714 /nfs/dbraw/zinc/27/27/14/472272714.db2.gz LOWNBKCKAUPAMK-UONOGXRCSA-N 1 0 348.443 2.638 20 10 EFCDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000068964570 472273164 /nfs/dbraw/zinc/27/31/64/472273164.db2.gz LOWNBKCKAUPAMK-KBPBESRZSA-N 1 0 348.443 2.638 20 10 EFCDRO CC[N@H+](CC(=O)N(C)C1CC1)Cc1cc(Br)ccc1O ZINC000076118593 472276945 /nfs/dbraw/zinc/27/69/45/472276945.db2.gz ANBCCHPYIZQLRW-UHFFFAOYSA-N 1 0 341.249 2.597 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000031726672 472390826 /nfs/dbraw/zinc/39/08/26/472390826.db2.gz PDWNAQYTXAMVHN-INIZCTEOSA-N 1 0 346.500 2.916 20 10 EFCDRO CC(C)[N@@H+]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000069773245 472425420 /nfs/dbraw/zinc/42/54/20/472425420.db2.gz XHBUBNSOEMUPGO-UHFFFAOYSA-N 1 0 344.503 2.913 20 10 EFCDRO CC[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000089619061 472470726 /nfs/dbraw/zinc/47/07/26/472470726.db2.gz CAEADYMUJYJSGV-LSDHHAIUSA-N 1 0 343.393 2.957 20 10 EFCDRO CCC[N@H+](CC(=O)NC(=O)NC1CCCCC1)Cc1ccccc1O ZINC000058218326 472521645 /nfs/dbraw/zinc/52/16/45/472521645.db2.gz KMXOEFNOGNCWNU-UHFFFAOYSA-N 1 0 347.459 2.763 20 10 EFCDRO COc1cccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)c1O ZINC000129150859 472524955 /nfs/dbraw/zinc/52/49/55/472524955.db2.gz NDULHLKMNWJZPX-UHFFFAOYSA-N 1 0 330.403 2.858 20 10 EFCDRO C[C@@H]1CCC[N@H+](CCNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000046392388 472554030 /nfs/dbraw/zinc/55/40/30/472554030.db2.gz HZUPCJYGOKMQKV-MRXNPFEDSA-N 1 0 332.492 2.626 20 10 EFCDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000102416416 472577188 /nfs/dbraw/zinc/57/71/88/472577188.db2.gz QZDNGICMRJPJIX-HUUCEWRRSA-N 1 0 333.476 2.557 20 10 EFCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000119847321 472589813 /nfs/dbraw/zinc/58/98/13/472589813.db2.gz YABWIYYFRFJELC-GFCCVEGCSA-N 1 0 332.835 2.963 20 10 EFCDRO CC[C@@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1ccc(N(C)C)cc1 ZINC000090395300 472614079 /nfs/dbraw/zinc/61/40/79/472614079.db2.gz GPBJLEIIUHMGPC-DOTOQJQBSA-N 1 0 343.475 2.546 20 10 EFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCS(C)(=O)=O)cc1 ZINC000062423187 472736653 /nfs/dbraw/zinc/73/66/53/472736653.db2.gz KQAYURQGYPCFFF-UHFFFAOYSA-N 1 0 346.496 2.847 20 10 EFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120844548 472756928 /nfs/dbraw/zinc/75/69/28/472756928.db2.gz SGLXRGCLDJDWKG-QZTJIDSGSA-N 1 0 332.536 2.677 20 10 EFCDRO CN(CCC[NH2+]Cc1cc2c(cc1O)OCO2)Cc1ccccc1 ZINC000063255901 472762087 /nfs/dbraw/zinc/76/20/87/472762087.db2.gz ZOUQIWXQYAKCCY-UHFFFAOYSA-N 1 0 328.412 2.733 20 10 EFCDRO Cc1ccc([C@H](C[NH2+]Cc2ccc(N(C)C)cc2)N2CCOCC2)o1 ZINC000073052064 472765397 /nfs/dbraw/zinc/76/53/97/472765397.db2.gz NOBDGTLKHACGRB-IBGZPJMESA-N 1 0 343.471 2.817 20 10 EFCDRO CC[N@H+](C)[C@@H](C(=O)NCc1cccc(OC)c1O)c1ccccc1 ZINC000105649791 472765935 /nfs/dbraw/zinc/76/59/35/472765935.db2.gz UCPFWQBZZYUQSZ-QGZVFWFLSA-N 1 0 328.412 2.710 20 10 EFCDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000063784460 472813491 /nfs/dbraw/zinc/81/34/91/472813491.db2.gz MUYPNZHXRXCSPW-QGZVFWFLSA-N 1 0 332.492 2.672 20 10 EFCDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1O ZINC000121305106 472832393 /nfs/dbraw/zinc/83/23/93/472832393.db2.gz QFKCJHIJNOICRH-UHFFFAOYSA-N 1 0 342.439 2.869 20 10 EFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)C(F)(F)F ZINC000121399564 472846098 /nfs/dbraw/zinc/84/60/98/472846098.db2.gz DSTWITQNJTYJNL-NSHDSACASA-N 1 0 342.155 2.900 20 10 EFCDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000073721966 472861749 /nfs/dbraw/zinc/86/17/49/472861749.db2.gz AXLWWYCQLYJMMO-SFHVURJKSA-N 1 0 330.476 2.570 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C(/C)C3CC3)cc2F)CC1 ZINC000106702810 472882967 /nfs/dbraw/zinc/88/29/67/472882967.db2.gz AHLWFBKJLQXWAS-QINSGFPZSA-N 1 0 345.462 2.940 20 10 EFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cccnc1 ZINC000158029530 472884616 /nfs/dbraw/zinc/88/46/16/472884616.db2.gz FEKPPPJOGRKVIH-MRXNPFEDSA-N 1 0 345.830 2.835 20 10 EFCDRO CO[C@H](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134261129 472889963 /nfs/dbraw/zinc/88/99/63/472889963.db2.gz YTJBWMMSKIOZRN-IUODEOHRSA-N 1 0 340.851 2.551 20 10 EFCDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(OC)c2O)C1 ZINC000092400781 472907190 /nfs/dbraw/zinc/90/71/90/472907190.db2.gz RMVAFHXOBBDKLP-GDBMZVCRSA-N 1 0 334.460 2.918 20 10 EFCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000092585739 472940120 /nfs/dbraw/zinc/94/01/20/472940120.db2.gz VCQASROAIDEVGO-CYBMUJFWSA-N 1 0 334.441 2.541 20 10 EFCDRO COc1ccc(N2CC[NH+](C[C@H](O)c3ccc(F)cc3)CC2)cc1F ZINC000121982549 472959258 /nfs/dbraw/zinc/95/92/58/472959258.db2.gz HTZIZQNWYMVORC-SFHVURJKSA-N 1 0 348.393 2.829 20 10 EFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)cc1F ZINC000122077052 472972831 /nfs/dbraw/zinc/97/28/31/472972831.db2.gz FVULYEDOWRFHNE-SFHVURJKSA-N 1 0 344.430 2.560 20 10 EFCDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000092731233 472973181 /nfs/dbraw/zinc/97/31/81/472973181.db2.gz HPMPKMFPJGXRAQ-GDBMZVCRSA-N 1 0 334.460 2.918 20 10 EFCDRO COc1ccccc1CN1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000093048464 473033617 /nfs/dbraw/zinc/03/36/17/473033617.db2.gz WEXHCTAUIDLKEW-UHFFFAOYSA-N 1 0 342.439 2.727 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1C ZINC000093134062 473048721 /nfs/dbraw/zinc/04/87/21/473048721.db2.gz KYSCTSNEJWBBHF-OAHLLOKOSA-N 1 0 326.444 2.926 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1O ZINC000093134098 473048921 /nfs/dbraw/zinc/04/89/21/473048921.db2.gz YUEPXJWANBHVIU-OAHLLOKOSA-N 1 0 342.443 2.708 20 10 EFCDRO COc1ccccc1CNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000109773022 473119342 /nfs/dbraw/zinc/11/93/42/473119342.db2.gz AZKAEUOUKJJQPD-AWEZNQCLSA-N 1 0 328.412 2.538 20 10 EFCDRO CCOc1cccc(CNC(=O)C[N@H+](C)Cc2ccccc2O)c1 ZINC000109773203 473120211 /nfs/dbraw/zinc/12/02/11/473120211.db2.gz QAZOGIOJXNJRTL-UHFFFAOYSA-N 1 0 328.412 2.539 20 10 EFCDRO CCOc1ccc(O)c(C[NH+]2CCC3(CC2)[C@H](OCC)C[C@@H]3O)c1 ZINC000093614228 473126244 /nfs/dbraw/zinc/12/62/44/473126244.db2.gz YQQPMBRZKFPDRA-ZWKOTPCHSA-N 1 0 335.444 2.543 20 10 EFCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000109836011 473128772 /nfs/dbraw/zinc/12/87/72/473128772.db2.gz HOIYQEGHYMLMGF-CYBMUJFWSA-N 1 0 330.350 2.767 20 10 EFCDRO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000093688167 473135440 /nfs/dbraw/zinc/13/54/40/473135440.db2.gz HZPIHUCFHOANQD-MRXNPFEDSA-N 1 0 329.396 2.894 20 10 EFCDRO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+](C)Cc1ccccc1O ZINC000111235635 473197682 /nfs/dbraw/zinc/19/76/82/473197682.db2.gz VJPQWCXKQHAQJE-WMLDXEAASA-N 1 0 340.423 2.853 20 10 EFCDRO COc1ccc(Cl)cc1CNC(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235989 473197726 /nfs/dbraw/zinc/19/77/26/473197726.db2.gz OZIHZXLEQUGJDH-UHFFFAOYSA-N 1 0 348.830 2.802 20 10 EFCDRO Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)c1 ZINC000111236083 473198034 /nfs/dbraw/zinc/19/80/34/473198034.db2.gz DIVHZMHYLHCOCE-MRXNPFEDSA-N 1 0 342.439 2.716 20 10 EFCDRO Oc1ccccc1C[N@H+](C[C@H](O)Cc1ccccc1)C[C@@H]1CCCO1 ZINC000111232938 473198185 /nfs/dbraw/zinc/19/81/85/473198185.db2.gz NIHWEDKGRSLJJJ-UXHICEINSA-N 1 0 341.451 2.977 20 10 EFCDRO CCOCc1ccccc1CNC(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235205 473198499 /nfs/dbraw/zinc/19/84/99/473198499.db2.gz KIGUSFOHFLEKEC-UHFFFAOYSA-N 1 0 342.439 2.677 20 10 EFCDRO C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000150988574 473392809 /nfs/dbraw/zinc/39/28/09/473392809.db2.gz ADPZTWMFNLTKBL-HNNXBMFYSA-N 1 0 334.460 2.685 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CC3CCN(C(C)=O)CC3)CC2)cc1 ZINC000151058358 473403573 /nfs/dbraw/zinc/40/35/73/473403573.db2.gz KSTLCOBWTPXRQJ-UHFFFAOYSA-N 1 0 345.487 2.512 20 10 EFCDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1cc(F)ccc1O ZINC000185375356 473409781 /nfs/dbraw/zinc/40/97/81/473409781.db2.gz QHWZONQKUBQFLZ-JQWIXIFHSA-N 1 0 341.329 2.900 20 10 EFCDRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185466785 473434567 /nfs/dbraw/zinc/43/45/67/473434567.db2.gz CVBHJNCHHLBTIY-HZMBPMFUSA-N 1 0 332.238 2.593 20 10 EFCDRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185467912 473435018 /nfs/dbraw/zinc/43/50/18/473435018.db2.gz RPHAUNKKYHPQMM-HZMBPMFUSA-N 1 0 332.238 2.593 20 10 EFCDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cn1 ZINC000151536733 473470489 /nfs/dbraw/zinc/47/04/89/473470489.db2.gz SMQLPLUMVXQSLT-AWEZNQCLSA-N 1 0 346.450 2.854 20 10 EFCDRO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1cc(Br)ccc1O ZINC000185638261 473474853 /nfs/dbraw/zinc/47/48/53/473474853.db2.gz IUFCXKIAXLCJPS-ZANVPECISA-N 1 0 332.263 2.673 20 10 EFCDRO CC[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)C(=O)N1CCOCC1 ZINC000185665054 473483294 /nfs/dbraw/zinc/48/32/94/473483294.db2.gz QDRBYWMXNUBDTN-KSSFIOAISA-N 1 0 342.439 2.833 20 10 EFCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000191123737 473484582 /nfs/dbraw/zinc/48/45/82/473484582.db2.gz OPUWKBDNTLTASI-GFCCVEGCSA-N 1 0 342.842 2.775 20 10 EFCDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])N1CC[NH+](C)CC1 ZINC000191197407 473505020 /nfs/dbraw/zinc/50/50/20/473505020.db2.gz WQKSSYUWGWVBTI-XJKSGUPXSA-N 1 0 341.446 2.593 20 10 EFCDRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000185787218 473513722 /nfs/dbraw/zinc/51/37/22/473513722.db2.gz SGOCQDRZABMUJL-PWSUYJOCSA-N 1 0 341.249 2.816 20 10 EFCDRO CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178724169 473548202 /nfs/dbraw/zinc/54/82/02/473548202.db2.gz JNXPOCFCAAZKID-UHFFFAOYSA-N 1 0 332.492 2.768 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000152405362 473557948 /nfs/dbraw/zinc/55/79/48/473557948.db2.gz YPFHRAHNIDLRGB-CVEARBPZSA-N 1 0 347.478 2.797 20 10 EFCDRO Cc1cc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c(C)n1-c1ccccn1 ZINC000115441734 473570900 /nfs/dbraw/zinc/57/09/00/473570900.db2.gz UKOTUADLNUGFPB-KRWDZBQOSA-N 1 0 340.471 2.903 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1O ZINC000186042174 473577541 /nfs/dbraw/zinc/57/75/41/473577541.db2.gz XVWRRZJNJYXVHH-CQSZACIVSA-N 1 0 346.452 2.783 20 10 EFCDRO CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)C1=O ZINC000186048663 473579188 /nfs/dbraw/zinc/57/91/88/473579188.db2.gz BIZQMAMQBGWMTQ-GXFFZTMASA-N 1 0 341.249 2.815 20 10 EFCDRO C[C@@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)C1CC[NH2+]CC1 ZINC000178863379 473580941 /nfs/dbraw/zinc/58/09/41/473580941.db2.gz LFMKBNWOHYXYNF-AWEZNQCLSA-N 1 0 331.460 2.504 20 10 EFCDRO CSCC[C@H](C)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000178894525 473585716 /nfs/dbraw/zinc/58/57/16/473585716.db2.gz ABXIFNICNKGCBO-HNNXBMFYSA-N 1 0 337.533 2.784 20 10 EFCDRO COc1cccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c1O ZINC000152734165 473592039 /nfs/dbraw/zinc/59/20/39/473592039.db2.gz HPIBCWCYBCOKRN-AWEZNQCLSA-N 1 0 349.452 2.661 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccco2)cc1 ZINC000153795580 473642805 /nfs/dbraw/zinc/64/28/05/473642805.db2.gz GPPCBSBWNSMCKB-UHFFFAOYSA-N 1 0 344.459 2.619 20 10 EFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(C(=O)CCOC)CC2)cc1 ZINC000127874666 473658989 /nfs/dbraw/zinc/65/89/89/473658989.db2.gz YMTJAVMIAHHHTM-MRXNPFEDSA-N 1 0 347.503 2.821 20 10 EFCDRO C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc2c(cc1O)CCCC2 ZINC000186375576 473663800 /nfs/dbraw/zinc/66/38/00/473663800.db2.gz UBZZCGYUKZJZNG-PBHICJAKSA-N 1 0 347.455 2.844 20 10 EFCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000186433447 473673862 /nfs/dbraw/zinc/67/38/62/473673862.db2.gz NIMKGFIXYPTROX-GOEBONIOSA-N 1 0 346.471 2.800 20 10 EFCDRO Cc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c(O)c1O ZINC000179437959 473687500 /nfs/dbraw/zinc/68/75/00/473687500.db2.gz RPIIQFZCFORRTQ-UHFFFAOYSA-N 1 0 330.384 2.599 20 10 EFCDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c(O)c1O ZINC000179460703 473688598 /nfs/dbraw/zinc/68/85/98/473688598.db2.gz LOSWBHLHUXUSEC-UHFFFAOYSA-N 1 0 346.402 2.749 20 10 EFCDRO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1O ZINC000179553041 473693950 /nfs/dbraw/zinc/69/39/50/473693950.db2.gz MQQRBJCZVDSSPT-UHFFFAOYSA-N 1 0 342.395 2.624 20 10 EFCDRO CC[C@@H]([NH2+]CCCN1CCC(O)CC1)c1cccc(Cl)c1[O-] ZINC000287578062 473700421 /nfs/dbraw/zinc/70/04/21/473700421.db2.gz HFEMFFLOIHHSBE-MRXNPFEDSA-N 1 0 326.868 2.933 20 10 EFCDRO C[C@H](c1ccccc1)[N@H+](CCCS(N)(=O)=O)Cc1ccccc1O ZINC000179648940 473704229 /nfs/dbraw/zinc/70/42/29/473704229.db2.gz HAUMPCBBSSTIPL-OAHLLOKOSA-N 1 0 348.468 2.634 20 10 EFCDRO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(C)n1-c1ccccn1 ZINC000269174387 473718874 /nfs/dbraw/zinc/71/88/74/473718874.db2.gz GOJILUFPQZAVPU-GOEBONIOSA-N 1 0 326.444 2.607 20 10 EFCDRO CCCCN(C)C(=O)C1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000179794514 473727952 /nfs/dbraw/zinc/72/79/52/473727952.db2.gz RVSNGPPDAWTGHD-UHFFFAOYSA-N 1 0 334.460 2.871 20 10 EFCDRO C[C@@H](NC(=O)NCc1ccccc1O)[C@@H](c1ccccc1)[NH+](C)C ZINC000287695004 473736302 /nfs/dbraw/zinc/73/63/02/473736302.db2.gz XHKBKRCUMZUBFH-KDOFPFPSSA-N 1 0 327.428 2.883 20 10 EFCDRO C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192842720 473736346 /nfs/dbraw/zinc/73/63/46/473736346.db2.gz NMTLXAGDTDNWKK-RYUDHWBXSA-N 1 0 346.302 2.986 20 10 EFCDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c(F)cn1 ZINC000287731577 473745942 /nfs/dbraw/zinc/74/59/42/473745942.db2.gz PDUGVVPNIVMJGE-AWEZNQCLSA-N 1 0 345.418 2.917 20 10 EFCDRO C[C@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1cc(F)ccc1O ZINC000287743743 473749130 /nfs/dbraw/zinc/74/91/30/473749130.db2.gz YXAJHKVGIGKIGU-LBPRGKRZSA-N 1 0 342.370 2.868 20 10 EFCDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000179938396 473758814 /nfs/dbraw/zinc/75/88/14/473758814.db2.gz VZXZEBNGMYUZLW-HUUCEWRRSA-N 1 0 334.460 2.918 20 10 EFCDRO CCCOc1ccc(C[NH2+]CCc2cn3c(n2)SCC3)c(O)c1 ZINC000274229499 473768423 /nfs/dbraw/zinc/76/84/23/473768423.db2.gz DSMYCYPJVBKKFT-UHFFFAOYSA-N 1 0 333.457 2.816 20 10 EFCDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000274232932 473768606 /nfs/dbraw/zinc/76/86/06/473768606.db2.gz UPPGAWFSGCITPL-CYBMUJFWSA-N 1 0 335.400 2.675 20 10 EFCDRO CC[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(N(C)C)cc1 ZINC000179991075 473770817 /nfs/dbraw/zinc/77/08/17/473770817.db2.gz YBOJRLSKGMCYID-ROUUACIJSA-N 1 0 334.460 2.715 20 10 EFCDRO CCCNC(=O)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000186934777 473784694 /nfs/dbraw/zinc/78/46/94/473784694.db2.gz MBCSWSWKVOJMEU-JTQLQIEISA-N 1 0 329.238 2.640 20 10 EFCDRO COCC[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000281623365 473785858 /nfs/dbraw/zinc/78/58/58/473785858.db2.gz NVXSWXLOZRIXJB-ZYHUDNBSSA-N 1 0 332.238 2.511 20 10 EFCDRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc(O)c1O ZINC000186974240 473791793 /nfs/dbraw/zinc/79/17/93/473791793.db2.gz RAPIIUGYFHWWKM-UHFFFAOYSA-N 1 0 344.386 2.631 20 10 EFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCCNC2=O)c1O ZINC000186985230 473796013 /nfs/dbraw/zinc/79/60/13/473796013.db2.gz MCHSXIDGXHTMMV-ZWNOBZJWSA-N 1 0 341.249 2.782 20 10 EFCDRO COc1ccncc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000287926875 473800233 /nfs/dbraw/zinc/80/02/33/473800233.db2.gz WMFZXOFOUJFBIC-OAHLLOKOSA-N 1 0 327.428 2.778 20 10 EFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCC(=O)N(C)C)c1O ZINC000187125706 473821992 /nfs/dbraw/zinc/82/19/92/473821992.db2.gz RQMHVIJTFXOTCJ-SNVBAGLBSA-N 1 0 329.238 2.592 20 10 EFCDRO COc1cccc(C[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1O ZINC000180215530 473830882 /nfs/dbraw/zinc/83/08/82/473830882.db2.gz ZSSIGXAKYDGXMI-LBPRGKRZSA-N 1 0 348.349 2.574 20 10 EFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(C)OCCO2)c1O ZINC000187415743 473869393 /nfs/dbraw/zinc/86/93/93/473869393.db2.gz PXYDOQPVFZIQIY-SNVBAGLBSA-N 1 0 330.222 2.877 20 10 EFCDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187417944 473869661 /nfs/dbraw/zinc/86/96/61/473869661.db2.gz NPELGPOALQFGAC-JTQLQIEISA-N 1 0 343.265 2.886 20 10 EFCDRO Cc1cc(C(=O)N2CCC[C@H](CC[NH3+])C2)c(C)n1-c1ccccn1 ZINC000281908190 473881002 /nfs/dbraw/zinc/88/10/02/473881002.db2.gz IMYZEOPIRAHDQK-MRXNPFEDSA-N 1 0 326.444 2.690 20 10 EFCDRO COc1cc(O)c(C[NH2+]Cc2ccc(C(C)(C)O)cc2)cc1OC ZINC000187525045 473881539 /nfs/dbraw/zinc/88/15/39/473881539.db2.gz NARYSKBDIUZTHJ-UHFFFAOYSA-N 1 0 331.412 2.927 20 10 EFCDRO Cc1cc(Br)cc(C[N@@H+](C)[C@H](C)C[S@](C)=O)c1O ZINC000187826762 473928865 /nfs/dbraw/zinc/92/88/65/473928865.db2.gz XEQZCMOFEFGVLG-MGNBDDOMSA-N 1 0 334.279 2.662 20 10 EFCDRO Cc1nsc(N2CCC[N@H+](Cc3cccc(Cl)c3[O-])CC2)n1 ZINC000180505284 473893919 /nfs/dbraw/zinc/89/39/19/473893919.db2.gz ZCSUVIRECSGQJJ-UHFFFAOYSA-N 1 0 338.864 2.918 20 10 EFCDRO CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000187698966 473905669 /nfs/dbraw/zinc/90/56/69/473905669.db2.gz HZTRRDNPBHLCNL-KBPBESRZSA-N 1 0 341.446 2.595 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c(O)c1 ZINC000269914013 473916071 /nfs/dbraw/zinc/91/60/71/473916071.db2.gz IXHKLLVJKQYZLN-IEBWSBKVSA-N 1 0 345.439 2.755 20 10 EFCDRO Cc1cc(C(=O)N2CCO[C@@H](C[NH3+])C2)c(C)n1-c1ccc(Cl)cc1 ZINC000274704696 473927624 /nfs/dbraw/zinc/92/76/24/473927624.db2.gz AGQDYLYKZGITFI-INIZCTEOSA-N 1 0 347.846 2.547 20 10 EFCDRO COc1cc(O)c(CN2CC[N@H+](C)CC23CCCCC3)cc1OC ZINC000180672960 473937091 /nfs/dbraw/zinc/93/70/91/473937091.db2.gz ZGQAHUCFGCSEIG-UHFFFAOYSA-N 1 0 334.460 2.860 20 10 EFCDRO O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1cc(F)ccc1O ZINC000180731980 473953363 /nfs/dbraw/zinc/95/33/63/473953363.db2.gz GPWDTNOMQNXMKH-UHFFFAOYSA-N 1 0 342.370 2.697 20 10 EFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@]2(O)CCOC2)cc1 ZINC000270026453 473959488 /nfs/dbraw/zinc/95/94/88/473959488.db2.gz XNYQWJNMQSVKLG-NRFANRHFSA-N 1 0 340.467 2.954 20 10 EFCDRO Cc1cc(C(=O)N2CCO[C@@H](C[NH3+])C2)c(C)n1-c1cccc(Cl)c1 ZINC000274823047 473974668 /nfs/dbraw/zinc/97/46/68/473974668.db2.gz SRVGDBQGAHTXJV-INIZCTEOSA-N 1 0 347.846 2.547 20 10 EFCDRO CC(C)(C)CC[NH+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180963352 473993670 /nfs/dbraw/zinc/99/36/70/473993670.db2.gz SITSHELFDXBGLJ-FNORWQNLSA-N 1 0 332.444 2.691 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000264486511 474009846 /nfs/dbraw/zinc/00/98/46/474009846.db2.gz AIGMXBDTFCKMPJ-UHFFFAOYSA-N 1 0 344.503 2.770 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000181217340 474017731 /nfs/dbraw/zinc/01/77/31/474017731.db2.gz AIACKWXPEXAOAV-VQHVLOKHSA-N 1 0 330.428 2.588 20 10 EFCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000274945922 474024818 /nfs/dbraw/zinc/02/48/18/474024818.db2.gz QPERLYHAIBTTCT-CZUORRHYSA-N 1 0 332.444 2.552 20 10 EFCDRO COc1cc(O)c(C[NH2+]Cc2cn3cccc(C)c3n2)cc1OC ZINC000181338204 474027165 /nfs/dbraw/zinc/02/71/65/474027165.db2.gz RDSRIEQAZVXNSD-UHFFFAOYSA-N 1 0 327.384 2.655 20 10 EFCDRO CCCC[N@H+](Cc1ccccc1O)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000282358967 474036398 /nfs/dbraw/zinc/03/63/98/474036398.db2.gz DBIKCJPGBSFBIE-KRWDZBQOSA-N 1 0 342.443 2.533 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000188280930 474043285 /nfs/dbraw/zinc/04/32/85/474043285.db2.gz IBNNKOIBRDXWTF-FQEVSTJZSA-N 1 0 330.472 2.914 20 10 EFCDRO CCCCN(Cc1ccccc1O)C(=O)CCN1CC[NH+](CC)CC1 ZINC000282414673 474057947 /nfs/dbraw/zinc/05/79/47/474057947.db2.gz GHOLHKLRUGIFBC-UHFFFAOYSA-N 1 0 347.503 2.549 20 10 EFCDRO Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(O)c1O ZINC000181776818 474063522 /nfs/dbraw/zinc/06/35/22/474063522.db2.gz FVVMSTFOXLWUHR-CQSZACIVSA-N 1 0 330.384 2.566 20 10 EFCDRO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000282448564 474070971 /nfs/dbraw/zinc/07/09/71/474070971.db2.gz ZRNJFJMMDCSJPU-FUHWJXTLSA-N 1 0 336.451 2.957 20 10 EFCDRO COc1ccc(O)c(C[NH2+]CC2(N3CCOCC3)CCCCC2)c1 ZINC000182147259 474109495 /nfs/dbraw/zinc/10/94/95/474109495.db2.gz LKGRNWLCSPDWBC-UHFFFAOYSA-N 1 0 334.460 2.526 20 10 EFCDRO COCCCn1nccc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000282632373 474135124 /nfs/dbraw/zinc/13/51/24/474135124.db2.gz KJQTUNXZNGOHNX-UHFFFAOYSA-N 1 0 328.460 2.592 20 10 EFCDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000289081727 474142970 /nfs/dbraw/zinc/14/29/70/474142970.db2.gz NWGPYFQEAMDIPR-YJBOKZPZSA-N 1 0 330.476 2.521 20 10 EFCDRO CC(=O)NCC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000219487216 474148281 /nfs/dbraw/zinc/14/82/81/474148281.db2.gz BARAFLVELUXDPC-UHFFFAOYSA-N 1 0 341.249 2.503 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2=O)c1 ZINC000182322378 474148800 /nfs/dbraw/zinc/14/88/00/474148800.db2.gz FRBDYIPBTKYRCA-GUYCJALGSA-N 1 0 326.396 2.857 20 10 EFCDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000275369430 474161009 /nfs/dbraw/zinc/16/10/09/474161009.db2.gz VKGLFANPVIKADK-UWVGGRQHSA-N 1 0 329.238 2.638 20 10 EFCDRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000182385929 474163491 /nfs/dbraw/zinc/16/34/91/474163491.db2.gz RAWNJFWURXVTOM-ROUUACIJSA-N 1 0 336.501 2.732 20 10 EFCDRO CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000265182846 474169114 /nfs/dbraw/zinc/16/91/14/474169114.db2.gz MBACJSZXEYGOCQ-FXAWDEMLSA-N 1 0 333.520 2.979 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000182501337 474191378 /nfs/dbraw/zinc/19/13/78/474191378.db2.gz PNVJRECKEUFQGR-ROUUACIJSA-N 1 0 338.517 2.978 20 10 EFCDRO CC(C)S(=O)(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000289248995 474195910 /nfs/dbraw/zinc/19/59/10/474195910.db2.gz AVODYNSKGZJFCY-UHFFFAOYSA-N 1 0 333.453 2.972 20 10 EFCDRO CS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000282823993 474207681 /nfs/dbraw/zinc/20/76/81/474207681.db2.gz UIJRNQVOSRRHAR-KRWDZBQOSA-N 1 0 331.437 2.678 20 10 EFCDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000182676399 474231162 /nfs/dbraw/zinc/23/11/62/474231162.db2.gz UHTNZVKELPYEML-OAHLLOKOSA-N 1 0 338.517 2.978 20 10 EFCDRO Oc1ccc(Br)cc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000227435667 474245936 /nfs/dbraw/zinc/24/59/36/474245936.db2.gz YCIHOYSWYXASFF-UHFFFAOYSA-N 1 0 325.250 2.871 20 10 EFCDRO Cc1cc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c(C)n1-c1ccccn1 ZINC000236625978 474275163 /nfs/dbraw/zinc/27/51/63/474275163.db2.gz GMFUQBBJXZZHIU-QGZVFWFLSA-N 1 0 328.460 2.935 20 10 EFCDRO C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182875621 474275396 /nfs/dbraw/zinc/27/53/96/474275396.db2.gz WGYZDNUWUFKWJB-IXFUNQINSA-N 1 0 344.455 2.880 20 10 EFCDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000236678427 474279002 /nfs/dbraw/zinc/27/90/02/474279002.db2.gz NPQQPACWYGQUMT-UHFFFAOYSA-N 1 0 348.468 2.711 20 10 EFCDRO CCCN(Cc1cn(Cc2cccnc2)nn1)Cc1ccccc1O ZINC000183026835 474308159 /nfs/dbraw/zinc/30/81/59/474308159.db2.gz LBNHCETWETUNRZ-UHFFFAOYSA-N 1 0 337.427 2.839 20 10 EFCDRO C[C@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000275766781 474309155 /nfs/dbraw/zinc/30/91/55/474309155.db2.gz UJRDRANRYUTCMV-HNNXBMFYSA-N 1 0 335.467 2.797 20 10 EFCDRO COC(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(OC)c2O)o1 ZINC000289530661 474310937 /nfs/dbraw/zinc/31/09/37/474310937.db2.gz VZSUDOYNBWBGSC-UHFFFAOYSA-N 1 0 325.748 2.724 20 10 EFCDRO CCN(CCC[NH+](C)C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000189156231 474311117 /nfs/dbraw/zinc/31/11/17/474311117.db2.gz YVLIOSROFOVBLD-UHFFFAOYSA-N 1 0 332.492 2.552 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)c1 ZINC000275817546 474329653 /nfs/dbraw/zinc/32/96/53/474329653.db2.gz DGUNNOMCTZHSFI-ZDUSSCGKSA-N 1 0 330.432 2.752 20 10 EFCDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000183120057 474333375 /nfs/dbraw/zinc/33/33/75/474333375.db2.gz OOMSBHLGBQRZQG-HNNXBMFYSA-N 1 0 342.439 2.785 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@](C(=O)OC)(C(F)(F)F)C2)c1 ZINC000289597024 474338081 /nfs/dbraw/zinc/33/80/81/474338081.db2.gz KSAUHWBEXBTPCW-HNNXBMFYSA-N 1 0 347.333 2.718 20 10 EFCDRO CC[C@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)c1ccccc1O ZINC000183346985 474375492 /nfs/dbraw/zinc/37/54/92/474375492.db2.gz CLGKEIUQKAEHIG-KRWDZBQOSA-N 1 0 328.412 2.758 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccccc1O ZINC000183421632 474377979 /nfs/dbraw/zinc/37/79/79/474377979.db2.gz FSZZZVNDMXACII-CABCVRRESA-N 1 0 327.428 2.863 20 10 EFCDRO C[C@@H]([NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000183492393 474385757 /nfs/dbraw/zinc/38/57/57/474385757.db2.gz WKQBAEUMSNVBFK-OAHLLOKOSA-N 1 0 349.475 2.596 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccccc1O ZINC000183523577 474388828 /nfs/dbraw/zinc/38/88/28/474388828.db2.gz PWJZESALXKBREP-POAQFYNOSA-N 1 0 340.467 2.926 20 10 EFCDRO COC[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)OCCc2ccccc21 ZINC000289751385 474409824 /nfs/dbraw/zinc/40/98/24/474409824.db2.gz HNRMMNSPQARUKK-OAQYLSRUSA-N 1 0 339.435 2.826 20 10 EFCDRO COC[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)OCCc2ccccc21 ZINC000289751379 474410280 /nfs/dbraw/zinc/41/02/80/474410280.db2.gz HNRMMNSPQARUKK-NRFANRHFSA-N 1 0 339.435 2.826 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000266081781 474417990 /nfs/dbraw/zinc/41/79/90/474417990.db2.gz GBZWOTMQGUPMDL-UHFFFAOYSA-N 1 0 332.492 2.767 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CC[NH+](C)CC1 ZINC000266145450 474419804 /nfs/dbraw/zinc/41/98/04/474419804.db2.gz BATPRCNZURFAFK-UHFFFAOYSA-N 1 0 329.488 2.977 20 10 EFCDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000237516845 474421246 /nfs/dbraw/zinc/42/12/46/474421246.db2.gz LPQMPFJBEPGHCB-WMZOPIPTSA-N 1 0 329.488 2.924 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnn(CCOC)c2)cc1F ZINC000266208351 474425165 /nfs/dbraw/zinc/42/51/65/474425165.db2.gz NLFXQLWTZDYSHK-UHFFFAOYSA-N 1 0 334.439 2.805 20 10 EFCDRO COCCn1cc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000266225129 474426580 /nfs/dbraw/zinc/42/65/80/474426580.db2.gz SFBLRLNTFXFQPK-UHFFFAOYSA-N 1 0 328.460 2.810 20 10 EFCDRO COc1ccc(C[C@](C)(O)C[NH2+]Cc2cc(C)ccc2O)cc1OC ZINC000289801930 474434034 /nfs/dbraw/zinc/43/40/34/474434034.db2.gz MIEIFYOTLGSTBJ-FQEVSTJZSA-N 1 0 345.439 2.801 20 10 EFCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1C ZINC000271268440 474466908 /nfs/dbraw/zinc/46/69/08/474466908.db2.gz JCXBIUJLSBRNNU-MAUKXSAKSA-N 1 0 329.444 2.688 20 10 EFCDRO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000284038326 474556541 /nfs/dbraw/zinc/55/65/41/474556541.db2.gz OOCBYVMGPXGEPH-MRXNPFEDSA-N 1 0 344.411 2.522 20 10 EFCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000290272598 474564486 /nfs/dbraw/zinc/56/44/86/474564486.db2.gz YCUGRSVNSVKHIQ-CYBMUJFWSA-N 1 0 332.375 2.631 20 10 EFCDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000276647484 474567393 /nfs/dbraw/zinc/56/73/93/474567393.db2.gz YKSLYMOUQSINAI-STQMWFEESA-N 1 0 338.423 2.725 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)cc1F ZINC000276859089 474573942 /nfs/dbraw/zinc/57/39/42/474573942.db2.gz WLGDDCIUAHNZKI-MRXNPFEDSA-N 1 0 333.451 2.869 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000271664086 474584470 /nfs/dbraw/zinc/58/44/70/474584470.db2.gz LPABKNAVTAADJL-HNNXBMFYSA-N 1 0 341.455 2.728 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[S@@](=O)C[C@@H](C)C2)cc1F ZINC000277440605 474585985 /nfs/dbraw/zinc/58/59/85/474585985.db2.gz KCHQXMYQNDNOQI-RCDICMHDSA-N 1 0 326.481 2.872 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[S@@](=O)C[C@H](C)C2)cc1F ZINC000277440600 474586015 /nfs/dbraw/zinc/58/60/15/474586015.db2.gz KCHQXMYQNDNOQI-JLCFBVMHSA-N 1 0 326.481 2.872 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[S@](=O)C[C@@H](C)C2)cc1F ZINC000277440598 474586239 /nfs/dbraw/zinc/58/62/39/474586239.db2.gz KCHQXMYQNDNOQI-FPTDNZKUSA-N 1 0 326.481 2.872 20 10 EFCDRO Cc1cc(Br)cc(CN2CC[S@](=O)[C@H](C)[C@@H]2C)c1O ZINC000271741490 474587751 /nfs/dbraw/zinc/58/77/51/474587751.db2.gz ABKQKYMURKMTFV-QQKBFRNYSA-N 1 0 346.290 2.804 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1C ZINC000290999851 474590117 /nfs/dbraw/zinc/59/01/17/474590117.db2.gz ASTVDDFDZQYBDK-ZDUSSCGKSA-N 1 0 344.377 2.900 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1OC ZINC000271789953 474590831 /nfs/dbraw/zinc/59/08/31/474590831.db2.gz GNPCXUKFASADDW-SUMWQHHRSA-N 1 0 339.457 2.554 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]C[C@@]2(O)CCc3ccccc32)c1O ZINC000184710311 474591706 /nfs/dbraw/zinc/59/17/06/474591706.db2.gz SUXSNOCDSWBBLQ-SFHVURJKSA-N 1 0 333.815 2.978 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NCC2CC[NH+](C3CC3)CC2)cc1F ZINC000277616298 474591675 /nfs/dbraw/zinc/59/16/75/474591675.db2.gz BLFOOQJTHYPNGG-UHFFFAOYSA-N 1 0 348.466 2.565 20 10 EFCDRO CCOc1ccc(O)c(C[NH+]2CCN(Cc3ccncc3)CC2)c1 ZINC000184714031 474593520 /nfs/dbraw/zinc/59/35/20/474593520.db2.gz PTRKFAHWOFMHCM-UHFFFAOYSA-N 1 0 327.428 2.504 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)C[C@H]2COc3ccccc3O2)cc1OC ZINC000271835175 474595829 /nfs/dbraw/zinc/59/58/29/474595829.db2.gz RWAUCRYGXOTEMY-AWEZNQCLSA-N 1 0 345.395 2.681 20 10 EFCDRO COC(=O)c1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)n(C)c1C ZINC000291209406 474597329 /nfs/dbraw/zinc/59/73/29/474597329.db2.gz NYDBSODILIYPSC-UHFFFAOYSA-N 1 0 333.407 2.615 20 10 EFCDRO COc1c(O)c(C[N@@H+]2CCN(C)c3ccccc3C2)ccc1[N+](=O)[O-] ZINC000278204945 474603050 /nfs/dbraw/zinc/60/30/50/474603050.db2.gz JLMNWSQAISVACH-UHFFFAOYSA-N 1 0 343.383 2.761 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](Oc3ncccc3F)C1)OCO2 ZINC000278285858 474604885 /nfs/dbraw/zinc/60/48/85/474604885.db2.gz QTXQQBMDDHYPFM-CYBMUJFWSA-N 1 0 346.358 2.698 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000272440349 474612417 /nfs/dbraw/zinc/61/24/17/474612417.db2.gz KZCFLXMQZNTXBH-MJGOQNOKSA-N 1 0 344.503 2.768 20 10 EFCDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)[C@H]2C1 ZINC000272473890 474613056 /nfs/dbraw/zinc/61/30/56/474613056.db2.gz QOAICCMRXPWCBN-MJGOQNOKSA-N 1 0 342.487 2.522 20 10 EFCDRO CN1CCCc2cc(C[NH2+][C@H]3CCC[C@H](S(C)(=O)=O)C3)ccc21 ZINC000284309493 474616430 /nfs/dbraw/zinc/61/64/30/474616430.db2.gz ZFUFGVZGKVGWNR-IRXDYDNUSA-N 1 0 336.501 2.514 20 10 EFCDRO C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C1=CC[N@H+](C)CC1 ZINC000272748736 474624205 /nfs/dbraw/zinc/62/42/05/474624205.db2.gz NFBJHBDJPBPOPF-HNNXBMFYSA-N 1 0 342.487 2.519 20 10 EFCDRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H](C)c1ccccc1O ZINC000272803989 474625315 /nfs/dbraw/zinc/62/53/15/474625315.db2.gz BXAXVFZMFJXLTK-IAGOWNOFSA-N 1 0 340.471 2.649 20 10 EFCDRO COc1cc(O)c(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)cc1OC ZINC000291592395 474626671 /nfs/dbraw/zinc/62/66/71/474626671.db2.gz PZFAKWMNVMQUOZ-OXJNMPFZSA-N 1 0 343.423 2.665 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1OC ZINC000278438562 474644060 /nfs/dbraw/zinc/64/40/60/474644060.db2.gz VILXSHYYANXJLP-BONVTDFDSA-N 1 0 349.349 2.545 20 10 EFCDRO Cc1cc(C[N@H+](CCS(C)(=O)=O)C(C)(C)C)ccc1N(C)C ZINC000292827679 474663038 /nfs/dbraw/zinc/66/30/38/474663038.db2.gz ONOQMNUFUGXSPR-UHFFFAOYSA-N 1 0 326.506 2.706 20 10 EFCDRO C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000278506292 474667786 /nfs/dbraw/zinc/66/77/86/474667786.db2.gz RAUWBXFZGBCUQB-HNNXBMFYSA-N 1 0 330.472 2.786 20 10 EFCDRO Oc1cc2c(cc1C[NH+]1CCC(OC[C@@H]3CCCCO3)CC1)OCO2 ZINC000267413694 474668446 /nfs/dbraw/zinc/66/84/46/474668446.db2.gz QXEFFACJCVKYLR-INIZCTEOSA-N 1 0 349.427 2.671 20 10 EFCDRO COc1cc(OC)cc(OCCC[NH2+]Cc2cccc(OC)c2O)c1 ZINC000267905102 474702762 /nfs/dbraw/zinc/70/27/62/474702762.db2.gz MOTAIJYOMWVWSK-UHFFFAOYSA-N 1 0 347.411 2.977 20 10 EFCDRO CCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccncc1 ZINC000267916159 474706623 /nfs/dbraw/zinc/70/66/23/474706623.db2.gz PGNGCSOUTLBOAW-UHFFFAOYSA-N 1 0 340.471 2.628 20 10 EFCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)COCC(F)(F)F ZINC000292986221 474751466 /nfs/dbraw/zinc/75/14/66/474751466.db2.gz ROKSKRUGNNTULN-CQSZACIVSA-N 1 0 335.366 2.934 20 10 EFCDRO COC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1O)[C@@H]1CCCO1 ZINC000278701125 474782035 /nfs/dbraw/zinc/78/20/35/474782035.db2.gz HLTLPAXNWPOSQF-DGFSRKRXSA-N 1 0 344.249 2.999 20 10 EFCDRO COc1cccc(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C(C)C)c1O ZINC000284867292 474805425 /nfs/dbraw/zinc/80/54/25/474805425.db2.gz YIUZEPNYJKYEQA-KSSFIOAISA-N 1 0 331.416 2.798 20 10 EFCDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000268143351 474825314 /nfs/dbraw/zinc/82/53/14/474825314.db2.gz KXZLKAFZKCVQDX-UGSOOPFHSA-N 1 0 343.471 2.553 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)c(O)c1 ZINC000273369991 474863702 /nfs/dbraw/zinc/86/37/02/474863702.db2.gz FWKUFHRNDKZOKZ-UONOGXRCSA-N 1 0 345.395 2.520 20 10 EFCDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000273371167 474865277 /nfs/dbraw/zinc/86/52/77/474865277.db2.gz COAMEHXTKHVDCU-AAEUAGOBSA-N 1 0 343.265 2.526 20 10 EFCDRO COc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2O)ccc1OCCO ZINC000273408996 474883184 /nfs/dbraw/zinc/88/31/84/474883184.db2.gz PDILBVPTKMKFSU-LBPRGKRZSA-N 1 0 335.375 2.762 20 10 EFCDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000292196331 474897723 /nfs/dbraw/zinc/89/77/23/474897723.db2.gz ZKSWNUCSWDLRDV-MJGOQNOKSA-N 1 0 347.455 2.799 20 10 EFCDRO C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000273452802 474905941 /nfs/dbraw/zinc/90/59/41/474905941.db2.gz GIXZVYPZNVCSNL-CLFVBBPSSA-N 1 0 334.279 2.962 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1cc(F)ccc1O ZINC000273457939 474909485 /nfs/dbraw/zinc/90/94/85/474909485.db2.gz HJXIRJMCGCJCHF-GUYCJALGSA-N 1 0 328.387 2.983 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(O)CCO[C@H]2C)c1O ZINC000278910565 474911404 /nfs/dbraw/zinc/91/14/04/474911404.db2.gz VRWLJMQTKNGSNR-ZIBATOQPSA-N 1 0 344.249 2.654 20 10 EFCDRO C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000273473481 474917247 /nfs/dbraw/zinc/91/72/47/474917247.db2.gz KDTHKOJJMCVSSB-MHNGPXOMSA-N 1 0 334.279 2.962 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)c(O)c1 ZINC000273506010 474933804 /nfs/dbraw/zinc/93/38/04/474933804.db2.gz ZMJIGWMRLLERJG-YJBOKZPZSA-N 1 0 339.439 2.937 20 10 EFCDRO CC[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1cc(Br)ccc1O ZINC000278952496 474938084 /nfs/dbraw/zinc/93/80/84/474938084.db2.gz ZKXLHSYHPGNDFY-XEGUGMAKSA-N 1 0 344.249 2.735 20 10 EFCDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000273562993 474965840 /nfs/dbraw/zinc/96/58/40/474965840.db2.gz IRCWITSKEFKLCT-AAEUAGOBSA-N 1 0 343.265 2.526 20 10 EFCDRO CCOc1cccc(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c1O ZINC000285345859 474979829 /nfs/dbraw/zinc/97/98/29/474979829.db2.gz AKWFMQRQKTUVCV-INIZCTEOSA-N 1 0 347.459 2.561 20 10 EFCDRO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000273600287 474984487 /nfs/dbraw/zinc/98/44/87/474984487.db2.gz JFRCBBNLJSNRFH-HNNXBMFYSA-N 1 0 325.412 2.581 20 10 EFCDRO C[C@H](NC(=O)c1cccc(O)c1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000279789553 474991033 /nfs/dbraw/zinc/99/10/33/474991033.db2.gz IMCVXJLWYRDKKJ-GOEBONIOSA-N 1 0 340.423 2.738 20 10 EFCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCOC[C@H]3C)cc2F)C[C@@H](C)O1 ZINC000279959054 475002635 /nfs/dbraw/zinc/00/26/35/475002635.db2.gz PAVRIGODEKAJAV-ATNYBXOESA-N 1 0 336.451 2.954 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CC2(CO)CCOCC2)c(C(F)(F)F)c1 ZINC000280324825 475019459 /nfs/dbraw/zinc/01/94/59/475019459.db2.gz PRXDTAZCKJHWKR-UHFFFAOYSA-N 1 0 346.393 2.650 20 10 EFCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](CC(N)=O)c2ccccc2)c1O ZINC000280329992 475019634 /nfs/dbraw/zinc/01/96/34/475019634.db2.gz HPHHCDXIDOAXGS-QGZVFWFLSA-N 1 0 344.386 2.782 20 10 EFCDRO Cc1cc(C[NH2+][C@@H](C(N)=O)[C@@H](C)c2ccccc2)ccc1N(C)C ZINC000293529511 475024029 /nfs/dbraw/zinc/02/40/29/475024029.db2.gz JGWIWWFDTDZPPM-HNAYVOBHSA-N 1 0 325.456 2.808 20 10 EFCDRO COc1cc(Cl)cc(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1O ZINC000280468042 475027544 /nfs/dbraw/zinc/02/75/44/475027544.db2.gz MWCOMKGABZNXCW-NVGCLXPQSA-N 1 0 341.835 2.823 20 10 EFCDRO COc1cc(Cl)cc(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1O ZINC000280468061 475027970 /nfs/dbraw/zinc/02/79/70/475027970.db2.gz MWCOMKGABZNXCW-XWCIJXRUSA-N 1 0 341.835 2.823 20 10 EFCDRO CCOc1cccc(C[NH2+]CCn2cc(Br)cn2)c1O ZINC000285495083 475028579 /nfs/dbraw/zinc/02/85/79/475028579.db2.gz MSLKKCMHOIYZST-UHFFFAOYSA-N 1 0 340.221 2.540 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CCC2(O)CCOCC2)c(C(F)(F)F)c1 ZINC000285605977 475033132 /nfs/dbraw/zinc/03/31/32/475033132.db2.gz VMEFZQZBHCYJGT-UHFFFAOYSA-N 1 0 346.393 2.793 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)cc1 ZINC000285611480 475033813 /nfs/dbraw/zinc/03/38/13/475033813.db2.gz XJJRDUSWRLAGDF-UHFFFAOYSA-N 1 0 338.517 2.980 20 10 EFCDRO C[C@H]1CN(c2ccc(C[NH2+]C3CCC(O)CC3)cc2F)C[C@H](C)O1 ZINC000285658933 475035156 /nfs/dbraw/zinc/03/51/56/475035156.db2.gz MQHMNWCATIHQBI-JCAIJIATSA-N 1 0 336.451 2.832 20 10 EFCDRO Cc1noc(CCC[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000268623457 475037647 /nfs/dbraw/zinc/03/76/47/475037647.db2.gz BXFGPNRTZDCRBC-INIZCTEOSA-N 1 0 331.416 2.697 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](C)C[NH+](C)C)ccc21 ZINC000292462915 475039375 /nfs/dbraw/zinc/03/93/75/475039375.db2.gz UIHNHOIIJOBWLZ-AWEZNQCLSA-N 1 0 345.487 2.832 20 10 EFCDRO C[C@@H]([NH2+]CCn1cc(Br)cn1)c1cc(F)ccc1O ZINC000285784822 475040361 /nfs/dbraw/zinc/04/03/61/475040361.db2.gz UWJCVOOGLBESPZ-SECBINFHSA-N 1 0 328.185 2.841 20 10 EFCDRO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000268749674 475040613 /nfs/dbraw/zinc/04/06/13/475040613.db2.gz IXXPBQSOSCMSCT-JKSUJKDBSA-N 1 0 336.501 2.762 20 10 EFCDRO C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268806599 475044536 /nfs/dbraw/zinc/04/45/36/475044536.db2.gz CUAYIVOEFVLJHI-FUHWJXTLSA-N 1 0 349.494 2.923 20 10 EFCDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@H](O)C(F)(F)F ZINC000273761849 475046372 /nfs/dbraw/zinc/04/63/72/475046372.db2.gz PFZWXDHIUZVKBF-CABZTGNLSA-N 1 0 327.730 2.846 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)cc1OC ZINC000293708906 475048220 /nfs/dbraw/zinc/04/82/20/475048220.db2.gz SGCSQLJUUXQCRX-SFHVURJKSA-N 1 0 346.427 2.654 20 10 EFCDRO C[C@@H]([NH2+]CCCc1cnn(C)n1)c1ccc(Br)cc1O ZINC000293777048 475051729 /nfs/dbraw/zinc/05/17/29/475051729.db2.gz SPEKTRRHVHIGIN-SNVBAGLBSA-N 1 0 339.237 2.567 20 10 EFCDRO Cc1cc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000293907996 475058301 /nfs/dbraw/zinc/05/83/01/475058301.db2.gz FTEKPKFVUGYBEB-GASCZTMLSA-N 1 0 326.444 2.654 20 10 EFCDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)C1 ZINC000281133331 475084854 /nfs/dbraw/zinc/08/48/54/475084854.db2.gz DBQYJOROBFXCSU-OEAJRASXSA-N 1 0 333.428 2.882 20 10 EFCDRO COC(=O)C[C@H]1CCC[N@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000294855499 475086285 /nfs/dbraw/zinc/08/62/85/475086285.db2.gz BMSWCYBMYHCZPH-GOSISDBHSA-N 1 0 346.471 2.829 20 10 EFCDRO COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000294855504 475087584 /nfs/dbraw/zinc/08/75/84/475087584.db2.gz BMSWCYBMYHCZPH-SFHVURJKSA-N 1 0 346.471 2.829 20 10 EFCDRO COc1cc([N+](=O)[O-])c(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1OC ZINC000294957936 475094252 /nfs/dbraw/zinc/09/42/52/475094252.db2.gz NBZFRZXFYFQPQD-GFCCVEGCSA-N 1 0 335.404 2.533 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C[C@@H](O)COCC(F)(F)F)C2CC2)cc1 ZINC000292576321 475096250 /nfs/dbraw/zinc/09/62/50/475096250.db2.gz ZBUWWVMHIVJRKU-MRXNPFEDSA-N 1 0 346.393 2.657 20 10 EFCDRO C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cc2c(cc1O)CCCC2 ZINC000287242054 475099634 /nfs/dbraw/zinc/09/96/34/475099634.db2.gz YWTDGNAOGRUYQR-UONOGXRCSA-N 1 0 337.485 2.746 20 10 EFCDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000295071691 475102047 /nfs/dbraw/zinc/10/20/47/475102047.db2.gz PIOWJQJADBTFDC-HNNXBMFYSA-N 1 0 348.226 2.711 20 10 EFCDRO CC[N@@H+]1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)[C@H](C)C1 ZINC000295384254 475123058 /nfs/dbraw/zinc/12/30/58/475123058.db2.gz UGSOUSMHVKXEIQ-QGZVFWFLSA-N 1 0 331.504 2.828 20 10 EFCDRO C[C@H]([NH2+]CCNc1ccccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000269002500 475123241 /nfs/dbraw/zinc/12/32/41/475123241.db2.gz PQRQJFWYOUDHRQ-HNNXBMFYSA-N 1 0 344.434 2.820 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(F)ccc1O ZINC000287457602 475157497 /nfs/dbraw/zinc/15/74/97/475157497.db2.gz LSLQMALQWCJCCJ-UKRRQHHQSA-N 1 0 335.423 2.862 20 10 EFCDRO O=C1N[C@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]2CO1 ZINC000281360882 475185504 /nfs/dbraw/zinc/18/55/04/475185504.db2.gz UWSYDAKANGSQBX-AEFFLSMTSA-N 1 0 329.444 2.607 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000349702869 475987989 /nfs/dbraw/zinc/98/79/89/475987989.db2.gz NMTZYTDETNGJFO-ZFWWWQNUSA-N 1 0 340.471 2.911 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000349805343 476005018 /nfs/dbraw/zinc/00/50/18/476005018.db2.gz VITNARZIPHNIRX-HNNXBMFYSA-N 1 0 340.471 2.936 20 10 EFCDRO CC[N@@H+]1CCCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000350030356 476035360 /nfs/dbraw/zinc/03/53/60/476035360.db2.gz BLBUQUMBTOUXJZ-UHFFFAOYSA-N 1 0 328.460 2.724 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000350080048 476043393 /nfs/dbraw/zinc/04/33/93/476043393.db2.gz OLELSMFXKWOQMQ-OAHLLOKOSA-N 1 0 328.460 2.722 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]CC2(O)Cc3ccccc3C2)c1O ZINC000359865588 476268879 /nfs/dbraw/zinc/26/88/79/476268879.db2.gz GPTOPJBUHKTEOL-UHFFFAOYSA-N 1 0 333.815 2.674 20 10 EFCDRO COc1ccc(N2CCC[N@H+](CCOCC(F)(F)F)CC2)cc1 ZINC000363436831 476384514 /nfs/dbraw/zinc/38/45/14/476384514.db2.gz PXDQKHPKWJCIOF-UHFFFAOYSA-N 1 0 332.366 2.786 20 10 EFCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1O ZINC000373325154 476392999 /nfs/dbraw/zinc/39/29/99/476392999.db2.gz SDPDIUMSIIIXKT-OAHLLOKOSA-N 1 0 326.234 2.810 20 10 EFCDRO Cc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c1O ZINC000373832288 476431676 /nfs/dbraw/zinc/43/16/76/476431676.db2.gz RLUAFRZHTGQYGO-UXHICEINSA-N 1 0 338.451 2.786 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373932635 476441374 /nfs/dbraw/zinc/44/13/74/476441374.db2.gz IPPPNGTULCZYJP-MJGOQNOKSA-N 1 0 342.487 2.713 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373932633 476441876 /nfs/dbraw/zinc/44/18/76/476441876.db2.gz IPPPNGTULCZYJP-HKUYNNGSSA-N 1 0 342.487 2.713 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1O ZINC000369675643 476473257 /nfs/dbraw/zinc/47/32/57/476473257.db2.gz HNZAWQLBCIEOCW-HNNXBMFYSA-N 1 0 342.233 2.510 20 10 EFCDRO Cc1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000374605489 476491875 /nfs/dbraw/zinc/49/18/75/476491875.db2.gz PHTKJYRTWOTOCI-JQHSSLGASA-N 1 0 338.455 2.689 20 10 EFCDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000377690320 476522568 /nfs/dbraw/zinc/52/25/68/476522568.db2.gz FZQFDCJVAJBLOL-YLJYHZDGSA-N 1 0 329.488 2.582 20 10 EFCDRO O=C1C[C@H]([NH2+]Cc2cc(F)ccc2O)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000374899399 476580985 /nfs/dbraw/zinc/58/09/85/476580985.db2.gz RVLOBCXQMYBRJR-RCCFBDPRSA-N 1 0 340.398 2.778 20 10 EFCDRO CCOCc1cc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)ccc1OC ZINC000378420261 476707077 /nfs/dbraw/zinc/70/70/77/476707077.db2.gz HAGUNONVFWXLAP-IEBWSBKVSA-N 1 0 335.444 2.659 20 10 EFCDRO CCOCc1cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)ccc1OC ZINC000378420260 476707395 /nfs/dbraw/zinc/70/73/95/476707395.db2.gz HAGUNONVFWXLAP-HKUYNNGSSA-N 1 0 335.444 2.659 20 10 EFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)[C@]12CCCO2 ZINC000375205739 476717447 /nfs/dbraw/zinc/71/74/47/476717447.db2.gz FKKCZQJTXLXSLF-ZMSDIMECSA-N 1 0 341.835 2.870 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)cc1OC ZINC000371360433 477265008 /nfs/dbraw/zinc/26/50/08/477265008.db2.gz GPYLBTYFJSHOMA-OAHLLOKOSA-N 1 0 331.416 2.788 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CC3([S@](C)=O)CCC3)CC2)cc1 ZINC000367192289 477385234 /nfs/dbraw/zinc/38/52/34/477385234.db2.gz AFBLJUPDXPWVKC-QHCPKHFHSA-N 1 0 336.501 2.555 20 10 EFCDRO CCC[C@H]1C[NH2+]CCN1C(=O)NCc1c(C)c2ccccc2n1C ZINC000418105486 477465736 /nfs/dbraw/zinc/46/57/36/477465736.db2.gz ZSDHPDKEYDCYCD-HNNXBMFYSA-N 1 0 328.460 2.770 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418092975 477466159 /nfs/dbraw/zinc/46/61/59/477466159.db2.gz BGNNJZDKRRKRLO-HXUWFJFHSA-N 1 0 340.471 2.772 20 10 EFCDRO COCC[C@H](CO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000377164374 477673093 /nfs/dbraw/zinc/67/30/93/477673093.db2.gz HQLTWAFDPDTUNK-HXUWFJFHSA-N 1 0 340.467 2.736 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000377246301 477708237 /nfs/dbraw/zinc/70/82/37/477708237.db2.gz SJSPDNQTCVQLKB-LJQANCHMSA-N 1 0 330.472 2.772 20 10 EFCDRO CCOc1cccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)c1O ZINC000368045778 477781404 /nfs/dbraw/zinc/78/14/04/477781404.db2.gz WQBZMDGCTFQLSG-UHFFFAOYSA-N 1 0 331.391 2.647 20 10 EFCDRO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000368136414 477787592 /nfs/dbraw/zinc/78/75/92/477787592.db2.gz UWTCJVUHCFIFGT-OAHLLOKOSA-N 1 0 340.423 2.682 20 10 EFCDRO COc1ccc(N2CCC[N@H+](CCCn3ccnc3C)CC2)cc1 ZINC000372739636 477811127 /nfs/dbraw/zinc/81/11/27/477811127.db2.gz JFHPCZNFDWPASG-UHFFFAOYSA-N 1 0 328.460 2.803 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000471688138 478007755 /nfs/dbraw/zinc/00/77/55/478007755.db2.gz LQXCRUYNFCIFKV-FUHWJXTLSA-N 1 0 340.471 2.913 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000472221618 478013417 /nfs/dbraw/zinc/01/34/17/478013417.db2.gz IARCNDSIKAQKIX-WMLDXEAASA-N 1 0 342.487 2.968 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000472231531 478013476 /nfs/dbraw/zinc/01/34/76/478013476.db2.gz HHVPXMNXBOAETE-MRXNPFEDSA-N 1 0 340.471 2.866 20 10 EFCDRO CCOc1ccc(C[NH2+][C@]2(COC)COc3ccccc3C2)c(O)c1 ZINC000527801562 478525019 /nfs/dbraw/zinc/52/50/19/478525019.db2.gz SKGFEBOXAUOUNE-HXUWFJFHSA-N 1 0 343.423 2.901 20 10 EFCDRO CSc1ccc(N(C)C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)cc1 ZINC000592530181 478935660 /nfs/dbraw/zinc/93/56/60/478935660.db2.gz FCARGCSNBDNCKZ-GFCCVEGCSA-N 1 0 330.457 2.718 20 10 EFCDRO CN(C(=O)C=Cc1c[nH]cn1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000492810266 479021056 /nfs/dbraw/zinc/02/10/56/479021056.db2.gz HVPRONMDWVNFFV-RUDMXATFSA-N 1 0 340.427 2.561 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NCCC[NH2+]C3CC3)ccc21 ZINC000568150367 479120229 /nfs/dbraw/zinc/12/02/29/479120229.db2.gz FBJJICMGRITKFU-UHFFFAOYSA-N 1 0 343.471 2.776 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000579215994 479674802 /nfs/dbraw/zinc/67/48/02/479674802.db2.gz YJOKSRKTPRIYLG-BZUAXINKSA-N 1 0 340.471 2.674 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3CCCC[NH2+]3)ccc21 ZINC000647577989 481004264 /nfs/dbraw/zinc/00/42/64/481004264.db2.gz ZIQYFZFPUZRLDU-QGZVFWFLSA-N 1 0 343.471 2.776 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N(C)C3CC[NH2+]CC3)ccc21 ZINC000653045407 481045092 /nfs/dbraw/zinc/04/50/92/481045092.db2.gz JKQVEICSUFQFRS-UHFFFAOYSA-N 1 0 343.471 2.729 20 10 EFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)C[C@@H](C)[NH3+])CCCC1 ZINC000653166809 481122233 /nfs/dbraw/zinc/12/22/33/481122233.db2.gz WZZAANJHHQJXER-ZIAGYGMSSA-N 1 0 343.471 2.771 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Cl)ccc1O ZINC000186081954 500929159 /nfs/dbraw/zinc/92/91/59/500929159.db2.gz WCACEHRCBFYRKM-SMDDNHRTSA-N 1 0 348.834 2.625 20 10 EFCDRO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccccc1O ZINC000183429392 533929505 /nfs/dbraw/zinc/92/95/05/533929505.db2.gz JFMBDIJDGRSTHU-AWEZNQCLSA-N 1 0 328.412 2.710 20 10 EFCDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H](C)[NH3+])cc1 ZINC000163669934 533986849 /nfs/dbraw/zinc/98/68/49/533986849.db2.gz OSCGXJZCOBBYAZ-AWEZNQCLSA-N 1 0 327.428 2.642 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)c3ccccc3)CC2)cc1 ZINC000153821912 533998833 /nfs/dbraw/zinc/99/88/33/533998833.db2.gz FHTUMBMEHDKVCK-FQEVSTJZSA-N 1 0 326.440 2.987 20 10 EFCDRO Cc1cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)c(C)n1-c1ccccn1 ZINC000172168141 534048908 /nfs/dbraw/zinc/04/89/08/534048908.db2.gz HGWHLJHHPCDJKJ-MRXNPFEDSA-N 1 0 326.444 2.513 20 10 EFCDRO Cc1ncsc1CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000172522682 534796989 /nfs/dbraw/zinc/79/69/89/534796989.db2.gz KFVYQCUDXAXOFK-UHFFFAOYSA-N 1 0 331.485 2.963 20 10 EFCDRO CS(=O)(=O)Cc1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000297759976 525143026 /nfs/dbraw/zinc/14/30/26/525143026.db2.gz ORIFDRRXTBVFQH-INIZCTEOSA-N 1 0 331.437 2.714 20 10 EFCDRO COc1cccc(C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)c1O ZINC000298166828 526026945 /nfs/dbraw/zinc/02/69/45/526026945.db2.gz TVISLCGWBMXNSV-HNNXBMFYSA-N 1 0 342.439 2.916 20 10 EFCDRO CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000159109826 528896532 /nfs/dbraw/zinc/89/65/32/528896532.db2.gz FCVABYILWHODAC-UHFFFAOYSA-N 1 0 330.476 2.544 20 10 EFCDRO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000295912180 535046524 /nfs/dbraw/zinc/04/65/24/535046524.db2.gz JIEBDZYZFHMMDK-SFHVURJKSA-N 1 0 346.450 2.673 20 10 EFCDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccccc1O)c1ccco1 ZINC000263780628 535671605 /nfs/dbraw/zinc/67/16/05/535671605.db2.gz WEKTZIHEGNIQPW-OAHLLOKOSA-N 1 0 331.416 2.868 20 10 EFCDRO CC[NH+]1CCN(c2ccccc2NC(=O)Cc2ccc(N)cc2)CC1 ZINC000262662578 535753921 /nfs/dbraw/zinc/75/39/21/535753921.db2.gz ZEKNYQLQCNJMKU-UHFFFAOYSA-N 1 0 338.455 2.592 20 10 EFCDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Cc1ccc(N)cc1 ZINC000286175800 535865191 /nfs/dbraw/zinc/86/51/91/535865191.db2.gz RFCYJHTYBZPCSX-UHFFFAOYSA-N 1 0 329.419 2.541 20 10 EFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@](F)(CO)C3)cc2)CC1 ZINC000296030588 536756525 /nfs/dbraw/zinc/75/65/25/536756525.db2.gz RXUGQRPFBDVACC-IBGZPJMESA-N 1 0 336.451 2.598 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1OC ZINC000290929662 536856821 /nfs/dbraw/zinc/85/68/21/536856821.db2.gz OUUHQXOSTVEMQJ-CYBMUJFWSA-N 1 0 337.807 2.706 20 10 EFCDRO NC(=O)c1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)cn1 ZINC000754048996 575380128 /nfs/dbraw/zinc/38/01/28/575380128.db2.gz YQIWXVNQKPPMJJ-UHFFFAOYSA-N 1 0 333.391 2.843 20 10 EFCDRO Oc1ccccc1C[N@@H+](C[C@@H](O)COC1CCOCC1)C1CCCC1 ZINC000755943247 575660699 /nfs/dbraw/zinc/66/06/99/575660699.db2.gz GPAAUFHPEZFKDW-GOSISDBHSA-N 1 0 349.471 2.693 20 10 EFCDRO CC(C)C[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(=O)[O-] ZINC000756309258 575714976 /nfs/dbraw/zinc/71/49/76/575714976.db2.gz UXWJFPLUAKLKJX-SFHVURJKSA-N 1 0 347.503 2.665 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c(O)c1 ZINC000756362107 575723258 /nfs/dbraw/zinc/72/32/58/575723258.db2.gz MLPHYAXOCILBQP-CQSZACIVSA-N 1 0 345.443 2.606 20 10 EFCDRO COCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000756379554 575726975 /nfs/dbraw/zinc/72/69/75/575726975.db2.gz OZUQUILSAXWSMT-LBPRGKRZSA-N 1 0 332.375 2.967 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(NS(C)(=O)=O)c2)c(O)c1 ZINC000756383553 575727504 /nfs/dbraw/zinc/72/75/04/575727504.db2.gz JZTWNMMXUZFOOP-CYBMUJFWSA-N 1 0 334.441 2.923 20 10 EFCDRO C[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1cc(F)ccc1O ZINC000756385546 575727881 /nfs/dbraw/zinc/72/78/81/575727881.db2.gz RWWWILUUBILMTP-LLVKDONJSA-N 1 0 338.404 2.754 20 10 EFCDRO CC(C)[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])N1CC[NH+](C)CC1 ZINC000756399521 575731099 /nfs/dbraw/zinc/73/10/99/575731099.db2.gz QLMSGUXUPJCGSC-GUYCJALGSA-N 1 0 341.446 2.593 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCNC(=O)c2ccc(F)cc2)c1 ZINC000756456456 575742127 /nfs/dbraw/zinc/74/21/27/575742127.db2.gz XOGYVXKOJVQWCV-LBPRGKRZSA-N 1 0 332.375 2.621 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c(O)c1 ZINC000756558435 575761755 /nfs/dbraw/zinc/76/17/55/575761755.db2.gz ZQDMXILRWGDLKB-AWEZNQCLSA-N 1 0 349.452 2.834 20 10 EFCDRO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(F)cc(F)c1[O-] ZINC000756562761 575762800 /nfs/dbraw/zinc/76/28/00/575762800.db2.gz KJQXMMHWFLLCRI-GXTWGEPZSA-N 1 0 328.403 2.558 20 10 EFCDRO C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756587044 575765697 /nfs/dbraw/zinc/76/56/97/575765697.db2.gz YJCLEEFSTYCNJA-OLZOCXBDSA-N 1 0 340.414 2.822 20 10 EFCDRO CCc1nncn1CC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756619163 575768486 /nfs/dbraw/zinc/76/84/86/575768486.db2.gz GGEMHDVDSSZXCJ-JTQLQIEISA-N 1 0 339.237 2.659 20 10 EFCDRO C[C@H]([NH2+]CCNc1cnccn1)c1cc(Br)ccc1O ZINC000756645654 575772238 /nfs/dbraw/zinc/77/22/38/575772238.db2.gz HVMSSWFPYASLDA-JTQLQIEISA-N 1 0 337.221 2.707 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)c2c1c(F)ccc2O ZINC000756713908 575780026 /nfs/dbraw/zinc/78/00/26/575780026.db2.gz ZALIUGCCVLCWLN-IEBDPFPHSA-N 1 0 346.324 2.832 20 10 EFCDRO CCn1cnnc1CC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000756733564 575781899 /nfs/dbraw/zinc/78/18/99/575781899.db2.gz QBIRADOYCLQIMS-SNVBAGLBSA-N 1 0 339.237 2.659 20 10 EFCDRO CCn1cnnc1CC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756733563 575782010 /nfs/dbraw/zinc/78/20/10/575782010.db2.gz QBIRADOYCLQIMS-JTQLQIEISA-N 1 0 339.237 2.659 20 10 EFCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000756774619 575785819 /nfs/dbraw/zinc/78/58/19/575785819.db2.gz KNAKCKUTEJXFBF-XWIASGKRSA-N 1 0 341.249 2.720 20 10 EFCDRO C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cc(Cl)ccc1O ZINC000756837964 575790469 /nfs/dbraw/zinc/79/04/69/575790469.db2.gz KHVIEAGBDCBFPC-ZIBATOQPSA-N 1 0 348.834 2.624 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCS2(=O)=O)c2c1c(F)ccc2O ZINC000757656973 575847969 /nfs/dbraw/zinc/84/79/69/575847969.db2.gz SXDAGCFIVOVDNE-NQBHXWOUSA-N 1 0 327.421 2.637 20 10 EFCDRO COc1cccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1O ZINC000758521241 575871497 /nfs/dbraw/zinc/87/14/97/575871497.db2.gz ARLQWKLBJDZFHW-APWZRJJASA-N 1 0 331.387 2.796 20 10 EFCDRO OC[C@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)C[C@H]1c1ccc(F)cc1 ZINC000758526216 575871590 /nfs/dbraw/zinc/87/15/90/575871590.db2.gz FMAOFEHXUHLAMM-HNAYVOBHSA-N 1 0 345.370 2.516 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)CC(F)F)ccc1N1CCCCC1 ZINC000758612689 575874125 /nfs/dbraw/zinc/87/41/25/575874125.db2.gz HCNQTUYOFVRKFN-ZDUSSCGKSA-N 1 0 343.374 2.691 20 10 EFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000758849725 575878678 /nfs/dbraw/zinc/87/86/78/575878678.db2.gz XYTSWPWXBBWMRA-INIZCTEOSA-N 1 0 345.487 2.945 20 10 EFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000758851764 575878764 /nfs/dbraw/zinc/87/87/64/575878764.db2.gz IYWUYBFMBQJYRL-KGLIPLIRSA-N 1 0 335.448 2.635 20 10 EFCDRO O=C(NCCCSc1nccs1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000759554106 575899882 /nfs/dbraw/zinc/89/98/82/575899882.db2.gz JFPOWLHFYUFIMS-STQMWFEESA-N 1 0 340.518 2.551 20 10 EFCDRO O=C(NCCCSc1nccs1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000759561156 575900870 /nfs/dbraw/zinc/90/08/70/575900870.db2.gz CSIRFYNGGAOBSO-CHWSQXEVSA-N 1 0 340.518 2.551 20 10 EFCDRO CCC1(CC)[C@H]([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1OC ZINC000759601528 575907382 /nfs/dbraw/zinc/90/73/82/575907382.db2.gz NWKBJMAFDPRGJP-QZTJIDSGSA-N 1 0 347.503 2.552 20 10 EFCDRO C[NH+](C)C[C@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2ccccc2O1 ZINC000760823397 576077989 /nfs/dbraw/zinc/07/79/89/576077989.db2.gz UVFYPKJRISRAFY-PTZVLDCSSA-N 1 0 341.386 2.590 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000760886643 576085237 /nfs/dbraw/zinc/08/52/37/576085237.db2.gz CIGOCNJPQWYLIB-GOSISDBHSA-N 1 0 349.544 2.927 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC1(O)CCC1 ZINC000761219399 576131520 /nfs/dbraw/zinc/13/15/20/576131520.db2.gz PLMRSMJWELAQAE-UHFFFAOYSA-N 1 0 333.432 2.932 20 10 EFCDRO COc1ccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)cc1O ZINC000761222516 576131813 /nfs/dbraw/zinc/13/18/13/576131813.db2.gz KEBOFOHYAIOEIJ-UHFFFAOYSA-N 1 0 330.428 2.978 20 10 EFCDRO CN(Cc1ccc2c(c1)nnn2C)c1ccc(OCC[NH+](C)C)cc1 ZINC000761221897 576131891 /nfs/dbraw/zinc/13/18/91/576131891.db2.gz FWSUBDOEINEUEX-UHFFFAOYSA-N 1 0 339.443 2.545 20 10 EFCDRO O=C(NCCc1ccc(O)c(O)c1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000762268029 576283221 /nfs/dbraw/zinc/28/32/21/576283221.db2.gz ZYSNDFORLURGEB-UHFFFAOYSA-N 1 0 349.390 2.631 20 10 EFCDRO CN(C)c1ccc(C[N@H+](CCCNC(=O)C(F)(F)F)C2CC2)cc1 ZINC000763186153 576366068 /nfs/dbraw/zinc/36/60/68/576366068.db2.gz LWUJHGKLTKZNFB-UHFFFAOYSA-N 1 0 343.393 2.786 20 10 EFCDRO CO[C@]1(C[NH2+][C@@H](C)c2cc(Br)ccc2O)CCOC1 ZINC000763573229 576381568 /nfs/dbraw/zinc/38/15/68/576381568.db2.gz QVVBOQPRASDKKI-HZMBPMFUSA-N 1 0 330.222 2.611 20 10 EFCDRO C[C@@H]([NH2+]CCN1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000764617527 576480278 /nfs/dbraw/zinc/48/02/78/576480278.db2.gz CTKWARYGPVEWJM-OAHLLOKOSA-N 1 0 337.895 2.923 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000764850050 576511723 /nfs/dbraw/zinc/51/17/23/576511723.db2.gz JZVDLKXYHVRQIX-HIFRSBDPSA-N 1 0 347.459 2.778 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCN4CCCC[C@H]34)CC2)cc1 ZINC000764965231 576529770 /nfs/dbraw/zinc/52/97/70/576529770.db2.gz JEIZUIJWEVPXSV-WOJBJXKFSA-N 1 0 329.488 2.880 20 10 EFCDRO COC[C@H](CC(C)C)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000765244496 577022829 /nfs/dbraw/zinc/02/28/29/577022829.db2.gz MZRCDOPEDNICTM-ROUUACIJSA-N 1 0 347.503 2.539 20 10 EFCDRO CCCC[C@@H](COC)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765254430 577023526 /nfs/dbraw/zinc/02/35/26/577023526.db2.gz MQJDWEQSOHHSHY-MSOLQXFVSA-N 1 0 347.503 2.683 20 10 EFCDRO Fc1cc(C[NH2+][C@@H]2CCCc3cn[nH]c32)ccc1N1CCOCC1 ZINC000765278050 577026146 /nfs/dbraw/zinc/02/61/46/577026146.db2.gz AEDZNIIPISAQLV-MRXNPFEDSA-N 1 0 330.407 2.553 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccccc1O ZINC000765313113 577031186 /nfs/dbraw/zinc/03/11/86/577031186.db2.gz BIFQAEXUJDZKGE-YJBOKZPZSA-N 1 0 339.439 2.712 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000765422599 577040771 /nfs/dbraw/zinc/04/07/71/577040771.db2.gz AJYJHMFGLCTADD-CVEARBPZSA-N 1 0 345.487 2.621 20 10 EFCDRO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765437067 577041886 /nfs/dbraw/zinc/04/18/86/577041886.db2.gz DOMDWUYRSVLGMR-CVEARBPZSA-N 1 0 326.444 2.595 20 10 EFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1C ZINC000765660976 577063764 /nfs/dbraw/zinc/06/37/64/577063764.db2.gz WQBIKBXXXUKJMH-SJORKVTESA-N 1 0 344.503 2.911 20 10 EFCDRO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000765733289 577071475 /nfs/dbraw/zinc/07/14/75/577071475.db2.gz WOWLQAFWMLRASI-JXFKEZNVSA-N 1 0 328.456 2.981 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000765733296 577071488 /nfs/dbraw/zinc/07/14/88/577071488.db2.gz WOWLQAFWMLRASI-OXQOHEQNSA-N 1 0 328.456 2.981 20 10 EFCDRO C[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000765752097 577072911 /nfs/dbraw/zinc/07/29/11/577072911.db2.gz BBFXLNWQCYRXNE-AWEZNQCLSA-N 1 0 342.480 2.901 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCN(C)CC(F)(F)F)CC2)cc1 ZINC000765930980 577088981 /nfs/dbraw/zinc/08/89/81/577088981.db2.gz PAAKVVVLBRZWIO-UHFFFAOYSA-N 1 0 345.409 2.748 20 10 EFCDRO C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766383305 577142838 /nfs/dbraw/zinc/14/28/38/577142838.db2.gz ROXQQIFMINANIS-JKSUJKDBSA-N 1 0 335.467 2.655 20 10 EFCDRO COCOc1ccc(OC)cc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000766464436 577153749 /nfs/dbraw/zinc/15/37/49/577153749.db2.gz HXQKBVSJNIRVRL-UHFFFAOYSA-N 1 0 329.396 2.903 20 10 EFCDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCO[C@H]1C1CC1 ZINC000767196099 577199465 /nfs/dbraw/zinc/19/94/65/577199465.db2.gz RXYVBROIWASSOB-PMACEKPBSA-N 1 0 348.462 2.957 20 10 EFCDRO CCOc1ccc(C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)c(O)c1 ZINC000725845889 577246775 /nfs/dbraw/zinc/24/67/75/577246775.db2.gz MPOUFDJYSJMMCD-UHFFFAOYSA-N 1 0 334.460 2.918 20 10 EFCDRO CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000725848924 577248798 /nfs/dbraw/zinc/24/87/98/577248798.db2.gz CVZKOGKKYUSVFY-LLVKDONJSA-N 1 0 327.812 2.774 20 10 EFCDRO CCOc1ccc(C[N@H+](CCC(N)=O)Cc2ccccc2)c(O)c1 ZINC000768215077 577260980 /nfs/dbraw/zinc/26/09/80/577260980.db2.gz XHRZKMVONLVXEJ-UHFFFAOYSA-N 1 0 328.412 2.669 20 10 EFCDRO CCOc1ccc(C[NH+]2CCN(Cc3ccccn3)CC2)c(O)c1 ZINC000768214018 577261148 /nfs/dbraw/zinc/26/11/48/577261148.db2.gz FIXOAJHZTFUYLU-UHFFFAOYSA-N 1 0 327.428 2.504 20 10 EFCDRO CC(C)[NH+]1CCC(N(C)Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000768229374 577261682 /nfs/dbraw/zinc/26/16/82/577261682.db2.gz KCRVTYXWQPJRTF-UHFFFAOYSA-N 1 0 349.494 2.967 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC(C(=O)NCC(C)C)CC2)c(O)c1 ZINC000768229570 577261953 /nfs/dbraw/zinc/26/19/53/577261953.db2.gz LWVLRULXTKQUDC-UHFFFAOYSA-N 1 0 334.460 2.775 20 10 EFCDRO CCOc1ccc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)cc1 ZINC000768437986 577273429 /nfs/dbraw/zinc/27/34/29/577273429.db2.gz MQWFCGYCFJPASD-GOSISDBHSA-N 1 0 329.396 2.849 20 10 EFCDRO COc1cc(O)c(CN2CCC([NH+]3CCCCC3)CC2)cc1OC ZINC000768439819 577273553 /nfs/dbraw/zinc/27/35/53/577273553.db2.gz KOFQEYPLSKHDRR-UHFFFAOYSA-N 1 0 334.460 2.860 20 10 EFCDRO C[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000725893719 577273607 /nfs/dbraw/zinc/27/36/07/577273607.db2.gz SXQCGZRVFUOMFF-XHSDSOJGSA-N 1 0 329.488 2.947 20 10 EFCDRO COc1ccccc1C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C1CC1 ZINC000768440134 577273831 /nfs/dbraw/zinc/27/38/31/577273831.db2.gz OIYDFGOBGBSOSY-SFHVURJKSA-N 1 0 341.407 2.991 20 10 EFCDRO COc1ccc([C@@H]2CC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)cc1 ZINC000768444710 577273989 /nfs/dbraw/zinc/27/39/89/577273989.db2.gz NVCZIHITRSMBDF-AUUYWEPGSA-N 1 0 341.407 2.816 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCCO[C@H](c3ccccc3)C1)[C@H](O)CO2 ZINC000768453437 577275119 /nfs/dbraw/zinc/27/51/19/577275119.db2.gz XHJQZURMYMBWCM-QUCCMNQESA-N 1 0 341.407 2.782 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCOC3(C1)CCCCCC3)[C@@H](O)CO2 ZINC000768461296 577275552 /nfs/dbraw/zinc/27/55/52/577275552.db2.gz AGJVAISZDGEUJR-KRWDZBQOSA-N 1 0 333.428 2.743 20 10 EFCDRO COc1cccc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c1O ZINC000768534108 577281200 /nfs/dbraw/zinc/28/12/00/577281200.db2.gz ZXWKKADNNIBPKA-OAHLLOKOSA-N 1 0 333.350 2.926 20 10 EFCDRO COC[C@H]1CCCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000768539789 577282061 /nfs/dbraw/zinc/28/20/61/577282061.db2.gz BVHUZDAXQZRXIT-KRWDZBQOSA-N 1 0 336.451 2.911 20 10 EFCDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000768676547 577294404 /nfs/dbraw/zinc/29/44/04/577294404.db2.gz DQZXUEKDAQRWLC-HRCADAONSA-N 1 0 346.450 2.814 20 10 EFCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000768905866 577315626 /nfs/dbraw/zinc/31/56/26/577315626.db2.gz FLTCVGULFBGOSG-UHFFFAOYSA-N 1 0 328.412 2.712 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1F ZINC000768938371 577318313 /nfs/dbraw/zinc/31/83/13/577318313.db2.gz YVBNAOLQASTJBF-GOSISDBHSA-N 1 0 349.494 2.969 20 10 EFCDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 ZINC000769108127 577334828 /nfs/dbraw/zinc/33/48/28/577334828.db2.gz LMACCHNPNDYWFH-NUJGCVRESA-N 1 0 349.494 2.965 20 10 EFCDRO C[N@H+](CCOC(=O)/C=C\c1ccc(O)c(O)c1)Cc1ccc(F)cc1 ZINC000769118620 577336526 /nfs/dbraw/zinc/33/65/26/577336526.db2.gz XRRFDHNQDAYMEU-UITAMQMPSA-N 1 0 345.370 2.925 20 10 EFCDRO Oc1ccc2c(c1)CC[N@@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000769191984 577343381 /nfs/dbraw/zinc/34/33/81/577343381.db2.gz WYGLQPVNEXZDOB-UHFFFAOYSA-N 1 0 338.451 2.830 20 10 EFCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC000769205158 577344308 /nfs/dbraw/zinc/34/43/08/577344308.db2.gz DPYPMUMTCHVFMZ-OAHLLOKOSA-N 1 0 334.460 2.919 20 10 EFCDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769209853 577344740 /nfs/dbraw/zinc/34/47/40/577344740.db2.gz NOPCZUCWEWWHOY-LSDHHAIUSA-N 1 0 334.460 2.918 20 10 EFCDRO Fc1cc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)ccc1N1CCOCC1 ZINC000769313612 577351208 /nfs/dbraw/zinc/35/12/08/577351208.db2.gz UZWTUOYULAUKNO-QGZVFWFLSA-N 1 0 344.434 2.696 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000769328484 577352421 /nfs/dbraw/zinc/35/24/21/577352421.db2.gz PUCRXZORVNAIPP-WOJBJXKFSA-N 1 0 331.504 2.564 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1F ZINC000769330400 577352700 /nfs/dbraw/zinc/35/27/00/577352700.db2.gz WMBUKJAHOWQIBN-PMACEKPBSA-N 1 0 349.494 2.703 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c(O)c1 ZINC000769338580 577353237 /nfs/dbraw/zinc/35/32/37/577353237.db2.gz QULTXKYCYNNVLN-INIZCTEOSA-N 1 0 332.444 2.768 20 10 EFCDRO OCCCCN1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000769396149 577358578 /nfs/dbraw/zinc/35/85/78/577358578.db2.gz WGEDWZFPIKPERO-UHFFFAOYSA-N 1 0 340.467 2.949 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CCN([C@@H](C)c2cccnc2)CC1 ZINC000769425896 577361761 /nfs/dbraw/zinc/36/17/61/577361761.db2.gz YPHCUZZIUQZDTK-HNNXBMFYSA-N 1 0 327.428 2.675 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000769454933 577363227 /nfs/dbraw/zinc/36/32/27/577363227.db2.gz AQQLPUABNWKREY-UHFFFAOYSA-N 1 0 332.444 2.625 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC3(CC2)[C@H](OCC)C[C@@H]3O)c(O)c1 ZINC000769478729 577365723 /nfs/dbraw/zinc/36/57/23/577365723.db2.gz FREZWZFHHGNXKJ-ZWKOTPCHSA-N 1 0 335.444 2.543 20 10 EFCDRO CCOc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c(O)c1 ZINC000769482892 577365998 /nfs/dbraw/zinc/36/59/98/577365998.db2.gz KPPRMSZOPWQYDF-WBVHZDCISA-N 1 0 341.473 2.579 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CCN(c2nc(C)c(C)s2)CC1 ZINC000769497407 577367243 /nfs/dbraw/zinc/36/72/43/577367243.db2.gz DBAJCJHITTVOLD-UHFFFAOYSA-N 1 0 333.457 2.796 20 10 EFCDRO Fc1cc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)ccc1N1CCOCC1 ZINC000769515455 577369291 /nfs/dbraw/zinc/36/92/91/577369291.db2.gz QSQZDZOVTQRJHA-IRXDYDNUSA-N 1 0 334.435 2.521 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000769542551 577371399 /nfs/dbraw/zinc/37/13/99/577371399.db2.gz KTVUPJMJPQGCTL-MRXNPFEDSA-N 1 0 335.444 2.951 20 10 EFCDRO COc1ccc(N2CCC(NC(=O)Cc3csc(C)n3)CC2)cc1 ZINC000726563131 577374082 /nfs/dbraw/zinc/37/40/82/577374082.db2.gz WCUPSXXYXLYQSU-UHFFFAOYSA-N 1 0 345.468 2.788 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@@H](C)C2)c1O ZINC000769710553 577380146 /nfs/dbraw/zinc/38/01/46/577380146.db2.gz NAKNHFBUXHCCIC-JOYOIKCWSA-N 1 0 330.222 2.820 20 10 EFCDRO C[C@@H]1CN(c2ccc(C[NH2+]CC3=CCCOC3)cc2F)C[C@H](C)O1 ZINC000769925706 577393913 /nfs/dbraw/zinc/39/39/13/577393913.db2.gz IIELVSZAWVGTQA-GASCZTMLSA-N 1 0 334.435 2.876 20 10 EFCDRO COc1ccc2c(c1)nc(C[NH2+]Cc1c(O)cccc1OC)n2C ZINC000769936048 577394200 /nfs/dbraw/zinc/39/42/00/577394200.db2.gz CKASSPMSPATJAC-UHFFFAOYSA-N 1 0 327.384 2.586 20 10 EFCDRO CC[C@H](OC)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771053681 581169269 /nfs/dbraw/zinc/16/92/69/581169269.db2.gz PPCKZHAYFIRINW-ZBFHGGJFSA-N 1 0 340.851 2.551 20 10 EFCDRO CCOc1ccc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)c(O)c1 ZINC000771200950 581186430 /nfs/dbraw/zinc/18/64/30/581186430.db2.gz FKPLSSYZNKPGOE-UHFFFAOYSA-N 1 0 334.460 2.966 20 10 EFCDRO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c(C)n1-c1ccccn1 ZINC000771398209 581207606 /nfs/dbraw/zinc/20/76/06/581207606.db2.gz SIWVMFKNKSQATG-LSDHHAIUSA-N 1 0 326.444 2.654 20 10 EFCDRO COC(=O)c1ccc(/C=C/c2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC000771517050 581220042 /nfs/dbraw/zinc/22/00/42/581220042.db2.gz BLWZJTNPQZQEMJ-XVNBXDOJSA-N 1 0 337.423 2.790 20 10 EFCDRO CCN1C(=O)/C(=C/c2ccc(N3CC[NH+](C)CC3)cc2)SC1=S ZINC000771521271 581220292 /nfs/dbraw/zinc/22/02/92/581220292.db2.gz SQZFTPMRXJZIOM-QINSGFPZSA-N 1 0 347.509 2.660 20 10 EFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc4n[nH]cc4c3)c2)CC1 ZINC000771638025 581229306 /nfs/dbraw/zinc/22/93/06/581229306.db2.gz WTHSKNUBBOEHPM-UHFFFAOYSA-N 1 0 349.438 2.957 20 10 EFCDRO C[N@@H+]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000771924203 581260203 /nfs/dbraw/zinc/26/02/03/581260203.db2.gz CQYPTPNDAIHKRL-UHFFFAOYSA-N 1 0 332.448 2.723 20 10 EFCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000772424476 581321631 /nfs/dbraw/zinc/32/16/31/581321631.db2.gz SUSYRKJGWYYHHI-JKSUJKDBSA-N 1 0 347.503 2.867 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCc4n[nH]cc4C3)CC2)cc1 ZINC000773056980 581391617 /nfs/dbraw/zinc/39/16/17/581391617.db2.gz BLEPZTAUDBGKQD-MRXNPFEDSA-N 1 0 326.444 2.534 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H](CO)CC(F)(F)F)CC2)cc1 ZINC000773106027 581396882 /nfs/dbraw/zinc/39/68/82/581396882.db2.gz JJKPDXAFZXZTAK-CYBMUJFWSA-N 1 0 332.366 2.567 20 10 EFCDRO C[C@@H](NC(=O)NCC[NH+]1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000773216959 581406438 /nfs/dbraw/zinc/40/64/38/581406438.db2.gz GPICGVQHRHDMPL-MRXNPFEDSA-N 1 0 332.492 2.845 20 10 EFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773293833 581415163 /nfs/dbraw/zinc/41/51/63/581415163.db2.gz AFAIBQCAXZTEGO-CRAIPNDOSA-N 1 0 332.492 2.987 20 10 EFCDRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773314608 581417390 /nfs/dbraw/zinc/41/73/90/581417390.db2.gz KMAYBVYSBGUDQC-WMLDXEAASA-N 1 0 330.476 2.597 20 10 EFCDRO C[C@H](NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773394554 581426380 /nfs/dbraw/zinc/42/63/80/581426380.db2.gz ZXHMKSDOVIOZTA-SUNYJGFJSA-N 1 0 330.476 2.596 20 10 EFCDRO O=C(Cc1ccoc1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000773407392 581427811 /nfs/dbraw/zinc/42/78/11/581427811.db2.gz LPBYSCOFSMMPMA-MRXNPFEDSA-N 1 0 348.830 2.962 20 10 EFCDRO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773615260 581450681 /nfs/dbraw/zinc/45/06/81/581450681.db2.gz VRNHOMBCZOIQHY-QAPCUYQASA-N 1 0 332.492 2.939 20 10 EFCDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774256768 581488180 /nfs/dbraw/zinc/48/81/80/581488180.db2.gz OAALWQAJENIZJA-WMLDXEAASA-N 1 0 334.533 2.762 20 10 EFCDRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000774487322 581492563 /nfs/dbraw/zinc/49/25/63/581492563.db2.gz ZDFOCOFONAJFOO-GXTWGEPZSA-N 1 0 343.475 2.781 20 10 EFCDRO CN1CCCc2cc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)ccc21 ZINC000821625408 606414486 /nfs/dbraw/zinc/41/44/86/606414486.db2.gz MYTSWIZLUCIKIN-UHFFFAOYSA-N 1 0 340.456 2.600 20 10 EFCDRO CCCn1nccc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000850035107 1250235736 /nfs/dbraw/zinc/23/57/36/1250235736.db2.gz UOZXZGDFBCEHMS-UHFFFAOYSA-N 1 0 332.423 2.559 20 10 EFCDRO COc1cc(C[NH2+]CCN2CCO[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850119619 1250291433 /nfs/dbraw/zinc/29/14/33/1250291433.db2.gz PREWEQOYZZZHEZ-CQSZACIVSA-N 1 0 336.476 2.509 20 10 EFCDRO COc1cc(C[NH2+]CCN2CCOC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850120696 1250291894 /nfs/dbraw/zinc/29/18/94/1250291894.db2.gz ZHEIAOPDERZPCA-AWEZNQCLSA-N 1 0 336.476 2.509 20 10 EFCDRO COc1cc(C[NH2+][C@@H]2CCc3nc(C)nn3C2)c(O)c(C(C)(C)C)c1 ZINC000850117264 1250292130 /nfs/dbraw/zinc/29/21/30/1250292130.db2.gz YFULNRVKSVWRTF-CQSZACIVSA-N 1 0 344.459 2.703 20 10 EFCDRO CCNC(=O)N1CC[C@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850190079 1250346756 /nfs/dbraw/zinc/34/67/56/1250346756.db2.gz DRNGIFRASIJIQN-AWEZNQCLSA-N 1 0 349.475 2.592 20 10 EFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)ccc2O)N1CC(F)(F)F ZINC001273285055 1265476922 /nfs/dbraw/zinc/47/69/22/1265476922.db2.gz NBOLHVZMHJPKNS-CHWSQXEVSA-N 1 0 346.324 2.659 20 10 EFCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850231035 1250365216 /nfs/dbraw/zinc/36/52/16/1250365216.db2.gz ICPONGWUTYAFNE-GDBMZVCRSA-N 1 0 334.460 2.703 20 10 EFCDRO COc1cc(C[NH2+]Cc2ccc(C)n(C)c2=O)c(O)c(C(C)(C)C)c1 ZINC000850280573 1250392739 /nfs/dbraw/zinc/39/27/39/1250392739.db2.gz APEKRAPJBQVPHM-UHFFFAOYSA-N 1 0 344.455 2.995 20 10 EFCDRO COc1cc(C[NH2+]CC2(N3CCOCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000850278843 1250394248 /nfs/dbraw/zinc/39/42/48/1250394248.db2.gz LMYVFYSDJMKDQX-UHFFFAOYSA-N 1 0 348.487 2.653 20 10 EFCDRO COc1cc(C[NH2+][C@@H](C)C(=O)N2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000850285683 1250397032 /nfs/dbraw/zinc/39/70/32/1250397032.db2.gz MPOJBMLAALJNMG-ZDUSSCGKSA-N 1 0 334.460 2.799 20 10 EFCDRO COc1cc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000850325736 1250428994 /nfs/dbraw/zinc/42/89/94/1250428994.db2.gz BKADCFAGIBFPGS-DYVFJYSZSA-N 1 0 337.460 2.575 20 10 EFCDRO COc1cccc(O)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850405797 1250468148 /nfs/dbraw/zinc/46/81/48/1250468148.db2.gz FMDMLZBJJMVHEA-UHFFFAOYSA-N 1 0 342.439 2.652 20 10 EFCDRO CCOc1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000850406125 1250468509 /nfs/dbraw/zinc/46/85/09/1250468509.db2.gz SRYIVJFFGODYDY-UHFFFAOYSA-N 1 0 341.455 2.731 20 10 EFCDRO Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850405963 1250468730 /nfs/dbraw/zinc/46/87/30/1250468730.db2.gz LYPPNJWUWLMIGQ-UHFFFAOYSA-N 1 0 348.878 2.633 20 10 EFCDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000850406362 1250469598 /nfs/dbraw/zinc/46/95/98/1250469598.db2.gz CXKOIXGLOWKGAD-YLJYHZDGSA-N 1 0 332.488 2.941 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(O)c1 ZINC000850406231 1250469757 /nfs/dbraw/zinc/46/97/57/1250469757.db2.gz XZZJNUGYEACETN-UHFFFAOYSA-N 1 0 342.439 2.652 20 10 EFCDRO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406189 1250470327 /nfs/dbraw/zinc/47/03/27/1250470327.db2.gz WHKHLICFZLKPOM-UHFFFAOYSA-N 1 0 342.487 2.958 20 10 EFCDRO Oc1cc2c(cc1C[NH2+]Cc1cccc3c1OC(F)(F)O3)OCO2 ZINC000850412919 1250470989 /nfs/dbraw/zinc/47/09/89/1250470989.db2.gz LMMQYQBSSCFYNN-UHFFFAOYSA-N 1 0 337.278 2.732 20 10 EFCDRO COc1cccc(O)c1C[NH2+]Cc1ccc(N2CCCNC2=O)cc1 ZINC000850412845 1250471814 /nfs/dbraw/zinc/47/18/14/1250471814.db2.gz BFVNANXMAPQPOT-UHFFFAOYSA-N 1 0 341.411 2.610 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCCCC2)c1O ZINC000850530851 1250525214 /nfs/dbraw/zinc/52/52/14/1250525214.db2.gz FBXZVEWDLRIQTG-ZDUSSCGKSA-N 1 0 341.473 2.799 20 10 EFCDRO C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850545953 1250531902 /nfs/dbraw/zinc/53/19/02/1250531902.db2.gz VLAOYPQRAZHIIZ-GOEBONIOSA-N 1 0 336.451 2.722 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCOCC1 ZINC000850566920 1250539405 /nfs/dbraw/zinc/53/94/05/1250539405.db2.gz UITLWUVTQUREMX-FQEVSTJZSA-N 1 0 332.488 2.943 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)cc2)CC1 ZINC000850566462 1250539520 /nfs/dbraw/zinc/53/95/20/1250539520.db2.gz NUJJJEYNZCUFJR-VAMGGRTRSA-N 1 0 342.483 2.695 20 10 EFCDRO CO[C@]1(C)C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000850565839 1250539614 /nfs/dbraw/zinc/53/96/14/1250539614.db2.gz IFQHSSGUOBCPSS-AZUAARDMSA-N 1 0 332.488 2.941 20 10 EFCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]2CCO[C@H]21 ZINC000850565935 1250539850 /nfs/dbraw/zinc/53/98/50/1250539850.db2.gz JTFVWEIGJDIRTP-IPMKNSEASA-N 1 0 330.472 2.551 20 10 EFCDRO C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@H](C[NH3+])C1 ZINC000851655671 1251180503 /nfs/dbraw/zinc/18/05/03/1251180503.db2.gz ZMUNHCJLOKCISF-QAPCUYQASA-N 1 0 330.476 2.556 20 10 EFCDRO CC(C)[N@H+](CCc1nnn(C(C)(C)C)n1)Cc1ccc(N(C)C)cc1 ZINC000851732373 1251230980 /nfs/dbraw/zinc/23/09/80/1251230980.db2.gz PAHAJMFIDZLYSR-UHFFFAOYSA-N 1 0 344.507 2.947 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3cc[nH]c3)CC2)cc1C ZINC000996627651 1255593964 /nfs/dbraw/zinc/59/39/64/1255593964.db2.gz AUPNIDWOUKLPCJ-UHFFFAOYSA-N 1 0 327.428 2.726 20 10 EFCDRO CC1(C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1[NH2+]CC1CC1 ZINC000996689038 1255748293 /nfs/dbraw/zinc/74/82/93/1255748293.db2.gz OHSKKKHFDBWGOR-HNNXBMFYSA-N 1 0 343.431 2.699 20 10 EFCDRO Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000922429259 1266000563 /nfs/dbraw/zinc/00/05/63/1266000563.db2.gz ZYHOABDVWQLGMH-UHFFFAOYSA-N 1 0 335.276 2.984 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(C)=O)C[C@H]2C(F)(F)F)cc1C ZINC000996812200 1256130840 /nfs/dbraw/zinc/13/08/40/1256130840.db2.gz NGJFDGZIMQOHJG-HUUCEWRRSA-N 1 0 344.377 2.750 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3OCC[C@H]3C)CC2)cc1C ZINC000997014404 1256688274 /nfs/dbraw/zinc/68/82/74/1256688274.db2.gz ZQFXBRRKISAJBF-KUHUBIRLSA-N 1 0 346.471 2.509 20 10 EFCDRO c1cc(N2CCOCC2)ncc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921523956 1256911219 /nfs/dbraw/zinc/91/12/19/1256911219.db2.gz WTFMRKXRCRZFLT-UHFFFAOYSA-N 1 0 339.439 2.533 20 10 EFCDRO CCOCc1cc(CNCc2cc(N(C)C)cc[nH+]2)ccc1OC ZINC000922479445 1266114063 /nfs/dbraw/zinc/11/40/63/1266114063.db2.gz VQISXDLAPFWITA-UHFFFAOYSA-N 1 0 329.444 2.983 20 10 EFCDRO O=C(NCC[NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1F ZINC000921577617 1257498643 /nfs/dbraw/zinc/49/86/43/1257498643.db2.gz HAILUCLAAPEEAF-UHFFFAOYSA-N 1 0 328.387 2.670 20 10 EFCDRO Cc1ccc(C[N@@H+]2CC[C@]3(CCN(CC(F)(F)F)C3=O)C2)c(O)c1 ZINC001272764564 1257674568 /nfs/dbraw/zinc/67/45/68/1257674568.db2.gz BBNXFOGDECIXHP-INIZCTEOSA-N 1 0 342.361 2.687 20 10 EFCDRO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C)cc1O ZINC001272764927 1257680856 /nfs/dbraw/zinc/68/08/56/1257680856.db2.gz CTXKPVSKCQTXMB-YWZLYKJASA-N 1 0 344.455 2.635 20 10 EFCDRO COCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C)cc1O ZINC001272766318 1257701778 /nfs/dbraw/zinc/70/17/78/1257701778.db2.gz ONOSAHSWHPVUQO-FQEVSTJZSA-N 1 0 346.471 2.694 20 10 EFCDRO CCOCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C)cc1O ZINC001272766628 1257710460 /nfs/dbraw/zinc/71/04/60/1257710460.db2.gz SKPHIMHXCFTRMT-FQEVSTJZSA-N 1 0 346.471 2.694 20 10 EFCDRO Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCC(F)F)CC2)c(O)c1 ZINC001272767315 1257729281 /nfs/dbraw/zinc/72/92/81/1257729281.db2.gz ZUXDMTISPHKPDU-AWEZNQCLSA-N 1 0 338.398 2.684 20 10 EFCDRO COc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1C ZINC000997519568 1257841554 /nfs/dbraw/zinc/84/15/54/1257841554.db2.gz KQVDOASLFGGPMR-IBGZPJMESA-N 1 0 346.471 2.511 20 10 EFCDRO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cc2c(cc1O)CCCC2 ZINC000186185391 1258080871 /nfs/dbraw/zinc/08/08/71/1258080871.db2.gz BEOOOCXAVNIRPF-ZDUSSCGKSA-N 1 0 337.485 2.746 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1Cn1cccn1 ZINC000922515616 1266184863 /nfs/dbraw/zinc/18/48/63/1266184863.db2.gz XFVWBNIVQSKIIN-MJGOQNOKSA-N 1 0 327.428 2.597 20 10 EFCDRO O=C(NCCC[NH+]1CCCCC1)NCc1c(O)ccc2c1CCCC2 ZINC000073536565 1259112848 /nfs/dbraw/zinc/11/28/48/1259112848.db2.gz MYPFANAVRGODKS-UHFFFAOYSA-N 1 0 345.487 2.946 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCOC3)C2)cc1C ZINC000998527529 1259632430 /nfs/dbraw/zinc/63/24/30/1259632430.db2.gz TTXVCKXXIYMSAU-AOCRQIFASA-N 1 0 346.471 2.509 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000708507675 1259756897 /nfs/dbraw/zinc/75/68/97/1259756897.db2.gz VVUVTSJAHRCYOI-VQIMIIECSA-N 1 0 337.467 2.696 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000708507673 1259757454 /nfs/dbraw/zinc/75/74/54/1259757454.db2.gz VVUVTSJAHRCYOI-QFBILLFUSA-N 1 0 337.467 2.696 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3cncs3)C2)cc1C ZINC000998664765 1259802815 /nfs/dbraw/zinc/80/28/15/1259802815.db2.gz HQYUUDRHHHEPHQ-HNNXBMFYSA-N 1 0 345.468 2.855 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC3(F)F)C2)cc1C ZINC000998733853 1259884374 /nfs/dbraw/zinc/88/43/74/1259884374.db2.gz HDFJMHZVPDZXBM-NRXISQOPSA-N 1 0 338.398 2.738 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC3(F)F)C2)cc1C ZINC000998733855 1259884895 /nfs/dbraw/zinc/88/48/95/1259884895.db2.gz HDFJMHZVPDZXBM-YMAMQOFZSA-N 1 0 338.398 2.738 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)Cc3ccoc3)C2)cc1C ZINC000998993403 1260138031 /nfs/dbraw/zinc/13/80/31/1260138031.db2.gz XQCHRKYENPIXPX-SFHVURJKSA-N 1 0 342.439 2.920 20 10 EFCDRO C[C@H]([NH2+]CC[C@H](O)C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000903404899 1260449519 /nfs/dbraw/zinc/44/95/19/1260449519.db2.gz AKFZVVLMNFWKSY-UGSOOPFHSA-N 1 0 338.879 2.988 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC34CC4)C2)cc1C ZINC000999469466 1260660654 /nfs/dbraw/zinc/66/06/54/1260660654.db2.gz IPESPWRLXVYFSA-OFLPRAFFSA-N 1 0 328.456 2.883 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccsn3)C2)cc1C ZINC000999476303 1260669394 /nfs/dbraw/zinc/66/93/94/1260669394.db2.gz MEJSEDFDNBHKPJ-OAHLLOKOSA-N 1 0 345.468 2.855 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3nccs3)C2)cc1C ZINC000999597853 1260761913 /nfs/dbraw/zinc/76/19/13/1260761913.db2.gz JPQDUSVUSRBUNW-UHFFFAOYSA-N 1 0 345.468 2.853 20 10 EFCDRO COCCC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001168648215 1261217543 /nfs/dbraw/zinc/21/75/43/1261217543.db2.gz IZRBXOHDFBMUDA-INIZCTEOSA-N 1 0 336.476 2.805 20 10 EFCDRO COC1CCN(C(C)(C)C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921712104 1261254541 /nfs/dbraw/zinc/25/45/41/1261254541.db2.gz GTNIESFHZIVVDV-UHFFFAOYSA-N 1 0 332.488 2.991 20 10 EFCDRO CC(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001272902794 1261294678 /nfs/dbraw/zinc/29/46/78/1261294678.db2.gz HHZARZLXFMTTRT-LJQANCHMSA-N 1 0 332.444 2.711 20 10 EFCDRO CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001272902766 1261294686 /nfs/dbraw/zinc/29/46/86/1261294686.db2.gz HEBZPOKMYXTBFI-OAHLLOKOSA-N 1 0 332.444 2.616 20 10 EFCDRO CC(C)CN1CC2(CCC1=O)CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001272903109 1261295486 /nfs/dbraw/zinc/29/54/86/1261295486.db2.gz MXTDQSQDGCUIEI-UHFFFAOYSA-N 1 0 346.471 2.958 20 10 EFCDRO CC[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001272903402 1261296385 /nfs/dbraw/zinc/29/63/85/1261296385.db2.gz SNTCUTANCUADLD-ZFWWWQNUSA-N 1 0 332.444 2.615 20 10 EFCDRO C[C@H]([NH2+]CC1(CO)CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000186479922 1261404153 /nfs/dbraw/zinc/40/41/53/1261404153.db2.gz SAOMEWJVRCNJNY-HNNXBMFYSA-N 1 0 336.451 2.866 20 10 EFCDRO C/C=C(/C)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001078371600 1261717359 /nfs/dbraw/zinc/71/73/59/1261717359.db2.gz FJRDTVAJRUMZGJ-LQBXZKJLSA-N 1 0 346.471 2.677 20 10 EFCDRO C/C=C(\C)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001078371601 1261717523 /nfs/dbraw/zinc/71/75/23/1261717523.db2.gz FJRDTVAJRUMZGJ-LUFMRPCYSA-N 1 0 346.471 2.677 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]([NH2+]CC3CCC3)C2)cc1 ZINC001001029513 1261813356 /nfs/dbraw/zinc/81/33/56/1261813356.db2.gz DQIPUENEBZPYMH-MRXNPFEDSA-N 1 0 343.431 2.843 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](NC(=O)C(F)F)C23CCC3)cc1C ZINC001078524737 1261926183 /nfs/dbraw/zinc/92/61/83/1261926183.db2.gz WLBXKZDWEJBESW-HUUCEWRRSA-N 1 0 338.398 2.786 20 10 EFCDRO CCC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C12CCC2 ZINC001078823671 1262411063 /nfs/dbraw/zinc/41/10/63/1262411063.db2.gz RWMUEUHUTOPRLG-HUUCEWRRSA-N 1 0 343.431 2.890 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CCCO3)C[C@H]2C)cc1C ZINC001082433925 1263160955 /nfs/dbraw/zinc/16/09/55/1263160955.db2.gz NIUWJUZONXGANP-BPQIPLTHSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCCO3)C[C@H]2C)cc1C ZINC001082476972 1263181857 /nfs/dbraw/zinc/18/18/57/1263181857.db2.gz YZTGYMRWBNHLKY-SUMDDJOVSA-N 1 0 346.471 2.509 20 10 EFCDRO CC[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001082753007 1263317869 /nfs/dbraw/zinc/31/78/69/1263317869.db2.gz NVENSXPYQXNOOH-VDHUWJSZSA-N 1 0 330.472 2.986 20 10 EFCDRO COc1cc(C[N@H+](C)[C@@H]2CCCCNC2=O)c(O)c(C(C)(C)C)c1 ZINC000824645475 1278212577 /nfs/dbraw/zinc/21/25/77/1278212577.db2.gz JRJHKHFNONVBNA-MRXNPFEDSA-N 1 0 334.460 2.799 20 10 EFCDRO NC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824645463 1278212623 /nfs/dbraw/zinc/21/26/23/1278212623.db2.gz JEGYIICVGIQDST-NSHDSACASA-N 1 0 341.249 2.632 20 10 EFCDRO COC(=O)C1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000730107255 1264186995 /nfs/dbraw/zinc/18/69/95/1264186995.db2.gz FIWIUCWSLYYKQI-UHFFFAOYSA-N 1 0 342.233 2.976 20 10 EFCDRO CCOC(=O)c1csc(CC[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000922040825 1264202889 /nfs/dbraw/zinc/20/28/89/1264202889.db2.gz FYSFWHAXNBUGLR-UHFFFAOYSA-N 1 0 346.452 2.977 20 10 EFCDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCCO2)[C@H]1COCC12OCCO2 ZINC000922177594 1264764462 /nfs/dbraw/zinc/76/44/62/1264764462.db2.gz JLRFCYYXTCJEKE-GOSISDBHSA-N 1 0 347.455 2.517 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cnc2n1CCOC2 ZINC000922187190 1264814871 /nfs/dbraw/zinc/81/48/71/1264814871.db2.gz DMLZJKIJSMNARW-HNNXBMFYSA-N 1 0 328.460 2.509 20 10 EFCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@]23CCN(CC(F)F)C3=O)c1O ZINC001273049258 1266802574 /nfs/dbraw/zinc/80/25/74/1266802574.db2.gz RJWPPWNVDXXKLR-SFHVURJKSA-N 1 0 338.398 2.841 20 10 EFCDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCCCC1 ZINC000922247977 1265101977 /nfs/dbraw/zinc/10/19/77/1265101977.db2.gz KFYYYADNPIQYDG-UHFFFAOYSA-N 1 0 337.485 2.849 20 10 EFCDRO COc1ccc2[nH]cc(CC[NH2+]Cc3cc4c(cc3O)OCO4)c2c1 ZINC000733328045 1265169688 /nfs/dbraw/zinc/16/96/88/1265169688.db2.gz RBTJXABWOIYYCN-UHFFFAOYSA-N 1 0 340.379 2.943 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cc1F ZINC000733329112 1265170946 /nfs/dbraw/zinc/17/09/46/1265170946.db2.gz MXRSNBZHQCVRHK-KRWDZBQOSA-N 1 0 335.467 2.625 20 10 EFCDRO COc1cccc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)c1O ZINC000733329917 1265171303 /nfs/dbraw/zinc/17/13/03/1265171303.db2.gz GDNRJZUBFDRVGP-UHFFFAOYSA-N 1 0 344.411 2.643 20 10 EFCDRO COc1cccc(O)c1C[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000733330045 1265171585 /nfs/dbraw/zinc/17/15/85/1265171585.db2.gz HLYRBZWZMJCPJY-UHFFFAOYSA-N 1 0 344.411 2.643 20 10 EFCDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000824701981 1278254762 /nfs/dbraw/zinc/25/47/62/1278254762.db2.gz FOFXTIUTPDXVQY-NEPJUHHUSA-N 1 0 328.206 2.586 20 10 EFCDRO CC(C)[N@H+](CC(=O)NCc1ccccn1)Cc1ccc(N(C)C)cc1 ZINC000733609557 1265316159 /nfs/dbraw/zinc/31/61/59/1265316159.db2.gz CODOMUHJGXYLPC-UHFFFAOYSA-N 1 0 340.471 2.674 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cocn2)cc1C ZINC001085151122 1265324856 /nfs/dbraw/zinc/32/48/56/1265324856.db2.gz OAIXJEONUQMLFV-HZPDHXFCSA-N 1 0 343.427 2.822 20 10 EFCDRO Cc1cc(O)c(C[NH2+]CCc2ccccc2S(C)(=O)=O)cc1C ZINC000922678639 1266582578 /nfs/dbraw/zinc/58/25/78/1266582578.db2.gz DDYLHXUKHJHHCT-UHFFFAOYSA-N 1 0 333.453 2.745 20 10 EFCDRO COc1ccc(O)c(C[N@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)c1 ZINC000824733724 1278268147 /nfs/dbraw/zinc/26/81/47/1278268147.db2.gz XFJKTKXEXNIVJB-UHFFFAOYSA-N 1 0 336.432 2.888 20 10 EFCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)c1O ZINC000922707590 1266628448 /nfs/dbraw/zinc/62/84/48/1266628448.db2.gz DMSDAEBOISWQES-ZDUSSCGKSA-N 1 0 332.366 2.907 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)c1 ZINC000922794239 1266829512 /nfs/dbraw/zinc/82/95/12/1266829512.db2.gz LYWGZDMCESRPLG-CQSZACIVSA-N 1 0 336.432 2.890 20 10 EFCDRO COc1cc(C[NH2+]CC2CC3(C2)OCCO3)c(O)c(C(C)(C)C)c1 ZINC000922796748 1266853518 /nfs/dbraw/zinc/85/35/18/1266853518.db2.gz GWPFNFNDNTVDNF-UHFFFAOYSA-N 1 0 335.444 2.941 20 10 EFCDRO CCOc1ccc(O)c(C[NH+]2CCN(c3ccnc(F)c3)CC2)c1 ZINC000824805520 1278291872 /nfs/dbraw/zinc/29/18/72/1278291872.db2.gz LHFKFQXQCCTHJB-UHFFFAOYSA-N 1 0 331.391 2.647 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000734530458 1267004495 /nfs/dbraw/zinc/00/44/95/1267004495.db2.gz CSGVTSUATISMTA-RDJZCZTQSA-N 1 0 346.519 2.981 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000734660206 1267057862 /nfs/dbraw/zinc/05/78/62/1267057862.db2.gz MNVHZYXROCKWQZ-MRXNPFEDSA-N 1 0 346.519 2.982 20 10 EFCDRO CC(=O)OC1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824817377 1278301091 /nfs/dbraw/zinc/30/10/91/1278301091.db2.gz AEIRIFVIQNJRIG-UHFFFAOYSA-N 1 0 328.206 2.682 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000734688489 1267065404 /nfs/dbraw/zinc/06/54/04/1267065404.db2.gz PMXWWRJMTQEFPG-IBGZPJMESA-N 1 0 344.503 2.831 20 10 EFCDRO OC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000734851104 1267134029 /nfs/dbraw/zinc/13/40/29/1267134029.db2.gz VLYXYJNTTOFFFH-SFHVURJKSA-N 1 0 348.393 2.625 20 10 EFCDRO CNC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000824796074 1278311670 /nfs/dbraw/zinc/31/16/70/1278311670.db2.gz BEWJLXUWEJYOHB-ZDUSSCGKSA-N 1 0 334.460 2.656 20 10 EFCDRO CNC(=O)CC1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824848905 1278312567 /nfs/dbraw/zinc/31/25/67/1278312567.db2.gz CALADRIIKPEMHM-UHFFFAOYSA-N 1 0 341.249 2.503 20 10 EFCDRO CN1CC[C@]2(CCC[N@H+](Cc3ccc4c(c3)CCCN4C)CC2)C1=O ZINC001273321383 1267226821 /nfs/dbraw/zinc/22/68/21/1267226821.db2.gz YFKUVFFHYYBEIM-NRFANRHFSA-N 1 0 341.499 2.903 20 10 EFCDRO Cc1cccc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1O ZINC000824832431 1278325298 /nfs/dbraw/zinc/32/52/98/1278325298.db2.gz YLIXHVDQECYZJJ-GXTWGEPZSA-N 1 0 342.361 2.543 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@]23CCN(C)C3=O)c(OC)c1 ZINC001273326244 1267398863 /nfs/dbraw/zinc/39/88/63/1267398863.db2.gz YHOIHIXFONESPT-HXUWFJFHSA-N 1 0 345.487 2.738 20 10 EFCDRO CC(C)OC(=O)[C@H](C)N(C)Cc1ccc(Br)cc1O ZINC000824895020 1278330554 /nfs/dbraw/zinc/33/05/54/1278330554.db2.gz PDRNWAOTXGHWEI-JTQLQIEISA-N 1 0 330.222 2.927 20 10 EFCDRO CC[C@H](C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[NH+](CC)CC ZINC000736007875 1267475614 /nfs/dbraw/zinc/47/56/14/1267475614.db2.gz XBVDOMCQQGDPKR-VQIMIIECSA-N 1 0 347.503 2.821 20 10 EFCDRO CC[C@@H](C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[NH+](CC)CC ZINC000736007870 1267476039 /nfs/dbraw/zinc/47/60/39/1267476039.db2.gz XBVDOMCQQGDPKR-APWZRJJASA-N 1 0 347.503 2.821 20 10 EFCDRO Oc1cc(Br)ccc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000824913434 1278340974 /nfs/dbraw/zinc/34/09/74/1278340974.db2.gz SLJKIFQEWLEVDA-JSGCOSHPSA-N 1 0 344.274 2.861 20 10 EFCDRO Oc1cc(Br)ccc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000824913436 1278341727 /nfs/dbraw/zinc/34/17/27/1278341727.db2.gz SLJKIFQEWLEVDA-TZMCWYRMSA-N 1 0 344.274 2.861 20 10 EFCDRO Oc1cc(Br)ccc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000824913433 1278342018 /nfs/dbraw/zinc/34/20/18/1278342018.db2.gz SLJKIFQEWLEVDA-GXTWGEPZSA-N 1 0 344.274 2.861 20 10 EFCDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000186776007 1267706610 /nfs/dbraw/zinc/70/66/10/1267706610.db2.gz UVTXUJMGQFCZBB-CHWSQXEVSA-N 1 0 336.432 2.918 20 10 EFCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCO[C@H](c3ccncc3)C1)OCO2 ZINC000824954793 1278364719 /nfs/dbraw/zinc/36/47/19/1278364719.db2.gz SJDBTRRVAVAMRB-ZBFHGGJFSA-N 1 0 328.368 2.526 20 10 EFCDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(O)c1O)c1ccsc1 ZINC000186928571 1268207869 /nfs/dbraw/zinc/20/78/69/1268207869.db2.gz HPALCKJCRVZYKO-CQSZACIVSA-N 1 0 334.441 2.972 20 10 EFCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)C(=O)NCCc1ccccc1 ZINC000825035907 1278391949 /nfs/dbraw/zinc/39/19/49/1278391949.db2.gz VQPNAJOMKMEWHR-ZDUSSCGKSA-N 1 0 332.831 2.883 20 10 EFCDRO CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001005002988 1268362374 /nfs/dbraw/zinc/36/23/74/1268362374.db2.gz MHIIIKNADBMYFZ-WFASDCNBSA-N 1 0 331.420 2.842 20 10 EFCDRO CC[C@H]([NH2+]CCN1CCC(O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000825110133 1278413890 /nfs/dbraw/zinc/41/38/90/1278413890.db2.gz CHNGSLSRJOUBRP-HNNXBMFYSA-N 1 0 346.393 2.908 20 10 EFCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)C(=O)N1c2ccccc2C[C@@H]1C ZINC000825113041 1278414276 /nfs/dbraw/zinc/41/42/76/1278414276.db2.gz YUDQSECCHVLCMM-QWHCGFSZSA-N 1 0 328.387 2.987 20 10 EFCDRO CCOc1cccc(C[NH2+]C[C@@H](c2nnc[nH]2)c2ccccc2)c1O ZINC000825124685 1278418972 /nfs/dbraw/zinc/41/89/72/1278418972.db2.gz WGSAGPKQRWQROM-MRXNPFEDSA-N 1 0 338.411 2.831 20 10 EFCDRO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)c2ccccc2)cc1Cl ZINC000825131553 1278423492 /nfs/dbraw/zinc/42/34/92/1278423492.db2.gz PPTJXQLUKHWSHW-UHFFFAOYSA-N 1 0 339.844 2.918 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000825156138 1278455076 /nfs/dbraw/zinc/45/50/76/1278455076.db2.gz OWWVXHPDJJLFSN-UXPWSPDFSA-N 1 0 329.488 2.595 20 10 EFCDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000741065176 1269292859 /nfs/dbraw/zinc/29/28/59/1269292859.db2.gz RRWGXNALVHUUBK-SFHVURJKSA-N 1 0 342.487 2.592 20 10 EFCDRO C[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)[NH+]1CCCCC1 ZINC000741081449 1269304841 /nfs/dbraw/zinc/30/48/41/1269304841.db2.gz QJRJTFOXFHXHLK-KRWDZBQOSA-N 1 0 342.487 2.736 20 10 EFCDRO C[C@H](F)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994781 1269450545 /nfs/dbraw/zinc/45/05/45/1269450545.db2.gz UQKOQPHHVOLUMU-WFASDCNBSA-N 1 0 349.410 2.743 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CC[NH2+]C3(C)C)c2C)cc1 ZINC000825256780 1278487765 /nfs/dbraw/zinc/48/77/65/1278487765.db2.gz GXJZSODCXSAEJN-SFHVURJKSA-N 1 0 341.455 2.973 20 10 EFCDRO CC(C)(C)[S@@](=O)CC[NH2+]Cc1ccc(Br)cc1O ZINC000825297905 1278496982 /nfs/dbraw/zinc/49/69/82/1278496982.db2.gz PNMUOQDDTZITOE-SFHVURJKSA-N 1 0 334.279 2.792 20 10 EFCDRO CC(C)(C)[S@](=O)CC[NH2+]Cc1ccc(Br)cc1O ZINC000825297904 1278497731 /nfs/dbraw/zinc/49/77/31/1278497731.db2.gz PNMUOQDDTZITOE-GOSISDBHSA-N 1 0 334.279 2.792 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cc[nH]c3C)C2)cc1C ZINC001086057804 1269720080 /nfs/dbraw/zinc/72/00/80/1269720080.db2.gz FLHYMGPQOJIHSQ-CALCHBBNSA-N 1 0 341.455 2.938 20 10 EFCDRO CC(C)(CN1CCCC1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000825325916 1278506620 /nfs/dbraw/zinc/50/66/20/1278506620.db2.gz IBKCTXVUXOUYIJ-UHFFFAOYSA-N 1 0 335.467 2.626 20 10 EFCDRO C[C@@](O)(C[NH2+]Cc1ccc(Br)cc1O)c1ccco1 ZINC000825326529 1278507193 /nfs/dbraw/zinc/50/71/93/1278507193.db2.gz RGFGQZIZPUGGFO-CQSZACIVSA-N 1 0 326.190 2.745 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3[nH]ccc3C)C2)cc1C ZINC001086074684 1269799816 /nfs/dbraw/zinc/79/98/16/1269799816.db2.gz BZTSHONXZCCCEH-CALCHBBNSA-N 1 0 341.455 2.938 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CC3(F)F)C2)cc1C ZINC001086080655 1269831401 /nfs/dbraw/zinc/83/14/01/1269831401.db2.gz OEWQBCJKLIGSOB-QLFBSQMISA-N 1 0 338.398 2.643 20 10 EFCDRO C[C@H](F)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700319 1269869227 /nfs/dbraw/zinc/86/92/27/1269869227.db2.gz XHJWTCSETCOXFS-WFASDCNBSA-N 1 0 349.410 2.743 20 10 EFCDRO O=C(NCc1ccccc1O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792058415 1278522628 /nfs/dbraw/zinc/52/26/28/1278522628.db2.gz UXTBOWZTZFCUHU-KRWDZBQOSA-N 1 0 339.439 2.714 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000825385107 1278529983 /nfs/dbraw/zinc/52/99/83/1278529983.db2.gz QTLDBNRDFJDHPA-AWEZNQCLSA-N 1 0 348.244 2.918 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3ccc(Cl)o3)CC2)cc1 ZINC000742700643 1270186614 /nfs/dbraw/zinc/18/66/14/1270186614.db2.gz YWTJINBARDMDHN-UHFFFAOYSA-N 1 0 349.862 2.853 20 10 EFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)cc2)C1 ZINC000825421591 1278546231 /nfs/dbraw/zinc/54/62/31/1278546231.db2.gz DRZXZSCZTAHEQU-KCITZHQASA-N 1 0 327.472 2.667 20 10 EFCDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000825422693 1278546590 /nfs/dbraw/zinc/54/65/90/1278546590.db2.gz QXKHQYGGNWIDHZ-NXEZZACHSA-N 1 0 329.238 2.548 20 10 EFCDRO Cn1cccc1CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000743060997 1270402039 /nfs/dbraw/zinc/40/20/39/1270402039.db2.gz DGCIEBKWKKIMGZ-UHFFFAOYSA-N 1 0 342.512 2.654 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CC[C@@H](C)O3)C2)cc1C ZINC001086203579 1270465814 /nfs/dbraw/zinc/46/58/14/1270465814.db2.gz DCJNUPVMEMKAQA-VYCZESIESA-N 1 0 346.471 2.556 20 10 EFCDRO COc1cc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)c(O)c(C(C)(C)C)c1 ZINC000825504887 1278574497 /nfs/dbraw/zinc/57/44/97/1278574497.db2.gz LMNYSLYEEOLLDP-AMXDTQDGSA-N 1 0 327.490 2.897 20 10 EFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743604793 1270662052 /nfs/dbraw/zinc/66/20/52/1270662052.db2.gz QVQSOCLRBZGZMY-MRXNPFEDSA-N 1 0 345.487 2.945 20 10 EFCDRO O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000743623530 1270671975 /nfs/dbraw/zinc/67/19/75/1270671975.db2.gz ZKLQXDUXBOBNIJ-INIZCTEOSA-N 1 0 343.471 2.555 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3ccccn3)C2)cc1C ZINC001086292786 1270864094 /nfs/dbraw/zinc/86/40/94/1270864094.db2.gz XIZKTDDBNCAVMT-QAQDUYKDSA-N 1 0 339.439 2.697 20 10 EFCDRO Oc1ccc([C@H](O)C[NH2+][C@@H]2CCc3cc(Cl)ccc3C2)cc1O ZINC001171092481 1278591530 /nfs/dbraw/zinc/59/15/30/1278591530.db2.gz ZEKHEZMCNKGVMC-CRAIPNDOSA-N 1 0 333.815 2.932 20 10 EFCDRO [O-]c1cccc(F)c1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001137831743 1270925776 /nfs/dbraw/zinc/92/57/76/1270925776.db2.gz LVDXAMQDDIEXRS-UHFFFAOYSA-N 1 0 336.451 2.856 20 10 EFCDRO CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001034053047 1270933973 /nfs/dbraw/zinc/93/39/73/1270933973.db2.gz OHXDUPJKIHEQSD-INIZCTEOSA-N 1 0 343.431 2.795 20 10 EFCDRO CCC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCOCC1 ZINC000744450128 1271052487 /nfs/dbraw/zinc/05/24/87/1271052487.db2.gz MXRWNWXDMZAJRP-UHFFFAOYSA-N 1 0 336.451 2.959 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000702554794 1271479097 /nfs/dbraw/zinc/47/90/97/1271479097.db2.gz XOEUWAPKJRTLFE-DYESRHJHSA-N 1 0 340.467 2.988 20 10 EFCDRO [O-]c1c(Cl)cccc1C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000702637010 1271563189 /nfs/dbraw/zinc/56/31/89/1271563189.db2.gz RNPYYOFDPDURJG-IBGZPJMESA-N 1 0 346.858 2.772 20 10 EFCDRO C[C@@H]1C[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC[N@@H+]1C ZINC000745858696 1271660229 /nfs/dbraw/zinc/66/02/29/1271660229.db2.gz SWDHBODOTOVWIU-NVXWUHKLSA-N 1 0 344.503 2.909 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3nocc3C)C2)cc1C ZINC001086528340 1272402587 /nfs/dbraw/zinc/40/25/87/1272402587.db2.gz HKDZGJVOPKJEAJ-WKILWMFISA-N 1 0 343.427 2.598 20 10 EFCDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc(O)c(O)c2)CN1C(=O)OC(C)(C)C ZINC001168810552 1272415903 /nfs/dbraw/zinc/41/59/03/1272415903.db2.gz HJAKVMBBPQONCP-GXTWGEPZSA-N 1 0 336.432 2.628 20 10 EFCDRO COc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CCCO2)cc1C ZINC001168970784 1272560515 /nfs/dbraw/zinc/56/05/15/1272560515.db2.gz JGURCCJNECJRRR-VQIMIIECSA-N 1 0 348.487 2.947 20 10 EFCDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC001168987315 1272588326 /nfs/dbraw/zinc/58/83/26/1272588326.db2.gz IBGUCJXGZCZYLG-JOYOIKCWSA-N 1 0 329.194 2.690 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c(C)c1 ZINC001169050180 1272628966 /nfs/dbraw/zinc/62/89/66/1272628966.db2.gz ZDSKJMLXVDQTOC-HOTGVXAUSA-N 1 0 333.432 2.571 20 10 EFCDRO COc1ccc(N2CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)c1 ZINC001169154407 1272714236 /nfs/dbraw/zinc/71/42/36/1272714236.db2.gz PPRRQXPZWOUPGJ-PIIMJCKOSA-N 1 0 329.488 2.751 20 10 EFCDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CO1 ZINC001169318092 1272801903 /nfs/dbraw/zinc/80/19/03/1272801903.db2.gz CCBPDWBVKRYXND-IEBWSBKVSA-N 1 0 346.471 2.877 20 10 EFCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc3ccccc3cc2O)CO1 ZINC001169350985 1272840169 /nfs/dbraw/zinc/84/01/69/1272840169.db2.gz WQALDHXFMYYJPR-WMZOPIPTSA-N 1 0 329.396 2.746 20 10 EFCDRO CCOC(=O)[C@@H]1CC[C@@H]([N@H+](CC)Cc2ccc(N(C)C)cc2)CO1 ZINC001169415309 1272901173 /nfs/dbraw/zinc/90/11/73/1272901173.db2.gz CYTXQEXOSKEKMS-MSOLQXFVSA-N 1 0 334.460 2.685 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2ccncc2)cc1C ZINC001034840968 1273076752 /nfs/dbraw/zinc/07/67/52/1273076752.db2.gz DNSXCACUOKGCOC-GOSISDBHSA-N 1 0 339.439 2.793 20 10 EFCDRO CCOC(=O)N1CCC[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001169703287 1273106338 /nfs/dbraw/zinc/10/63/38/1273106338.db2.gz FILXUWYFIJTFSZ-MRXNPFEDSA-N 1 0 348.443 2.857 20 10 EFCDRO CC[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cc(Br)ccc1O ZINC000704304776 1273299871 /nfs/dbraw/zinc/29/98/71/1273299871.db2.gz LUETYFYVSIGWAV-CHWSQXEVSA-N 1 0 341.249 2.816 20 10 EFCDRO CC[NH2+]CC(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000844165510 1278777225 /nfs/dbraw/zinc/77/72/25/1278777225.db2.gz IBOHHTGPEYWCHR-UHFFFAOYSA-N 1 0 341.455 2.904 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCc2ccc(F)cc2F)cc1 ZINC000844162542 1278792176 /nfs/dbraw/zinc/79/21/76/1278792176.db2.gz IEOJOBRJIJVYMA-SFHVURJKSA-N 1 0 347.409 2.780 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)(F)F)C[C@@H]2C)cc1C ZINC001035876044 1274590570 /nfs/dbraw/zinc/59/05/70/1274590570.db2.gz SMXGLROHVMDUAE-DZGCQCFKSA-N 1 0 340.414 2.985 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(C)(F)F)C[C@H]2C)cc1C ZINC001035876045 1274591325 /nfs/dbraw/zinc/59/13/25/1274591325.db2.gz SMXGLROHVMDUAE-HIFRSBDPSA-N 1 0 340.414 2.985 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(C)(F)F)C[C@@H]2C)cc1C ZINC001035876047 1274591496 /nfs/dbraw/zinc/59/14/96/1274591496.db2.gz SMXGLROHVMDUAE-ZFWWWQNUSA-N 1 0 340.414 2.985 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(F)F)C[C@H]2C)cc1C ZINC001035867576 1274630152 /nfs/dbraw/zinc/63/01/52/1274630152.db2.gz FOGLQZBSJLTEGZ-OCCSQVGLSA-N 1 0 326.387 2.595 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(F)F)C[C@H]2C)cc1C ZINC001035867577 1274630282 /nfs/dbraw/zinc/63/02/82/1274630282.db2.gz FOGLQZBSJLTEGZ-TZMCWYRMSA-N 1 0 326.387 2.595 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc[nH]c3)C[C@@H]2C)cc1C ZINC001036044035 1274959941 /nfs/dbraw/zinc/95/99/41/1274959941.db2.gz AYGMBXULCMRHEU-YJBOKZPZSA-N 1 0 341.455 2.972 20 10 EFCDRO C[N@@H+]1CCCC[C@H](CNCc2c(O)cccc2Br)C1 ZINC000706835087 1275042268 /nfs/dbraw/zinc/04/22/68/1275042268.db2.gz QAZKZHPFTIBUJG-GFCCVEGCSA-N 1 0 327.266 2.976 20 10 EFCDRO CC[C@H]1C[C@H]([NH+]2CCN(c3ccc(OC)cc3OC)CC2)CCO1 ZINC001170237841 1278922259 /nfs/dbraw/zinc/92/22/59/1278922259.db2.gz JQODZTFDEGALFM-CVEARBPZSA-N 1 0 334.460 2.783 20 10 EFCDRO COc1ccc(N(C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000844353166 1278922558 /nfs/dbraw/zinc/92/25/58/1278922558.db2.gz PSSZEGAFICVNDE-IBGZPJMESA-N 1 0 341.455 2.551 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cnco3)C[C@@H]2C)cc1C ZINC001036127087 1275133304 /nfs/dbraw/zinc/13/33/04/1275133304.db2.gz RVPKPBOWTOHRBX-GOEBONIOSA-N 1 0 343.427 2.632 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000103511338 1278927455 /nfs/dbraw/zinc/92/74/55/1278927455.db2.gz HOWQGBQQWMTCAI-CQSZACIVSA-N 1 0 349.475 2.881 20 10 EFCDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000785986608 1275265919 /nfs/dbraw/zinc/26/59/19/1275265919.db2.gz BKCNOSCGPNVHBI-CLCXKQKWSA-N 1 0 336.451 2.644 20 10 EFCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H]1CO ZINC000785984226 1275265938 /nfs/dbraw/zinc/26/59/38/1275265938.db2.gz JYQMQZWEHCYZJT-KSSFIOAISA-N 1 0 333.432 2.788 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)c2ccccc2F)cc1 ZINC000844400069 1278948182 /nfs/dbraw/zinc/94/81/82/1278948182.db2.gz VBGKDPBXONLOFD-IBGZPJMESA-N 1 0 332.419 2.936 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000844399870 1278948402 /nfs/dbraw/zinc/94/84/02/1278948402.db2.gz RDFQXKABMHDSLT-HNNXBMFYSA-N 1 0 333.476 2.511 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)C(F)F)C2)cc1C ZINC001036338143 1275465394 /nfs/dbraw/zinc/46/53/94/1275465394.db2.gz KDKNUCOUVBVDOX-ZFWWWQNUSA-N 1 0 340.414 2.985 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)C(F)F)C2)cc1C ZINC001036338141 1275466262 /nfs/dbraw/zinc/46/62/62/1275466262.db2.gz KDKNUCOUVBVDOX-HIFRSBDPSA-N 1 0 340.414 2.985 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(N3CCOCC3)s2)c1 ZINC000787014165 1275609411 /nfs/dbraw/zinc/60/94/11/1275609411.db2.gz MBOPPLYYILWMHP-LBPRGKRZSA-N 1 0 349.456 2.545 20 10 EFCDRO C[N@H+]1C[C@H]2CN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000787302695 1275750823 /nfs/dbraw/zinc/75/08/23/1275750823.db2.gz DDJVSRYEEIFTAT-CALCHBBNSA-N 1 0 344.459 2.579 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1F ZINC000787343061 1275762374 /nfs/dbraw/zinc/76/23/74/1275762374.db2.gz YAIMKBRBFXYRNS-GOSISDBHSA-N 1 0 333.451 2.915 20 10 EFCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)[C@@H]1C ZINC000787420066 1275769632 /nfs/dbraw/zinc/76/96/32/1275769632.db2.gz CTLAYUPMFILMCG-MFKMUULPSA-N 1 0 342.233 2.847 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)C3=COCCC3)C2)cc1C ZINC001090951384 1278988489 /nfs/dbraw/zinc/98/84/89/1278988489.db2.gz FCOFCRCTBITKDJ-UHFFFAOYSA-N 1 0 344.455 2.682 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+]CCOCC(F)F)ccc1N1CCCCC1 ZINC000788077644 1276029750 /nfs/dbraw/zinc/02/97/50/1276029750.db2.gz PEHQFRLHUDFHGT-UHFFFAOYSA-N 1 0 343.374 2.956 20 10 EFCDRO COc1ccc(O)c(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000788297953 1276116776 /nfs/dbraw/zinc/11/67/76/1276116776.db2.gz FPXXXCHGCHZWNG-QGZVFWFLSA-N 1 0 328.412 2.710 20 10 EFCDRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000788379545 1276158386 /nfs/dbraw/zinc/15/83/86/1276158386.db2.gz VLQSMAPEQPOCDU-CQSZACIVSA-N 1 0 336.476 2.548 20 10 EFCDRO O=C(CNc1ccc([C@@H]2CCC[NH2+]C2)cc1)c1ccc(O)c(O)c1 ZINC001170320970 1279015076 /nfs/dbraw/zinc/01/50/76/1279015076.db2.gz SIDAJQQOLAOHBY-OAHLLOKOSA-N 1 0 326.396 2.860 20 10 EFCDRO C[C@@H]1CN(c2ccc(CN[C@@H]3C[NH2+]CC[C@H]3C)cc2F)C[C@H](C)O1 ZINC000817889312 1276348438 /nfs/dbraw/zinc/34/84/38/1276348438.db2.gz SJNGFCJXXGKCRD-ZXFNITATSA-N 1 0 335.467 2.527 20 10 EFCDRO [NH3+][C@H]1C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC000817888799 1276348512 /nfs/dbraw/zinc/34/85/12/1276348512.db2.gz OSCXYXLKCMMQGO-RBUKOAKNSA-N 1 0 341.430 2.897 20 10 EFCDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(Br)c2[O-])C[C@H]1C[NH3+] ZINC000817865969 1276351098 /nfs/dbraw/zinc/35/10/98/1276351098.db2.gz QFIFCUJNBDUJDO-NTZNESFSSA-N 1 0 327.266 2.960 20 10 EFCDRO [NH3+][C@@H]1CCCCC[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817894169 1276363313 /nfs/dbraw/zinc/36/33/13/1276363313.db2.gz KJXOIWNIAXOSFU-MSOLQXFVSA-N 1 0 335.467 2.536 20 10 EFCDRO [NH3+][C@H]1CCCCC[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817894172 1276363346 /nfs/dbraw/zinc/36/33/46/1276363346.db2.gz KJXOIWNIAXOSFU-ZWKOTPCHSA-N 1 0 335.467 2.536 20 10 EFCDRO C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817893128 1276363388 /nfs/dbraw/zinc/36/33/88/1276363388.db2.gz FCDNWFBJKRTKKC-UZLBHIALSA-N 1 0 331.504 2.516 20 10 EFCDRO C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000817899340 1276365975 /nfs/dbraw/zinc/36/59/75/1276365975.db2.gz LGTFGNCGIQXQDH-JJRVBVJISA-N 1 0 339.430 2.987 20 10 EFCDRO C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000817902165 1276367132 /nfs/dbraw/zinc/36/71/32/1276367132.db2.gz JPVQCPXGOIZVTL-PKOBYXMFSA-N 1 0 331.504 2.780 20 10 EFCDRO C[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817946339 1276390848 /nfs/dbraw/zinc/39/08/48/1276390848.db2.gz WSXZGYCIOFWUBM-HUUCEWRRSA-N 1 0 337.895 2.827 20 10 EFCDRO Cc1cc(C)c([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)cn2)c(O)c1 ZINC000817952124 1276396718 /nfs/dbraw/zinc/39/67/18/1276396718.db2.gz HUDPWGWHYJPVOE-OAHLLOKOSA-N 1 0 326.444 2.987 20 10 EFCDRO C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(Br)cc(F)c1[O-] ZINC000817954801 1276398033 /nfs/dbraw/zinc/39/80/33/1276398033.db2.gz KDZHAGCAXHOVSJ-ZJUUUORDSA-N 1 0 331.229 2.944 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000817929970 1276404267 /nfs/dbraw/zinc/40/42/67/1276404267.db2.gz WWXHCIYUUCLJPS-QGZVFWFLSA-N 1 0 342.443 2.566 20 10 EFCDRO C[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817971874 1276413063 /nfs/dbraw/zinc/41/30/63/1276413063.db2.gz QLFHFFYONNIRMW-RBSFLKMASA-N 1 0 337.895 2.968 20 10 EFCDRO C[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817971873 1276413120 /nfs/dbraw/zinc/41/31/20/1276413120.db2.gz QLFHFFYONNIRMW-QLFBSQMISA-N 1 0 337.895 2.968 20 10 EFCDRO COC[C@]1(CN[C@@H](C)c2ccc(Br)cc2O)CCC[NH2+]1 ZINC000817975192 1276415410 /nfs/dbraw/zinc/41/54/10/1276415410.db2.gz RMMRIXJIMHZMMQ-XHDPSFHLSA-N 1 0 343.265 2.574 20 10 EFCDRO COC[C@]1(CN[C@H](C)c2ccc(Br)cc2O)CCC[NH2+]1 ZINC000817975189 1276415432 /nfs/dbraw/zinc/41/54/32/1276415432.db2.gz RMMRIXJIMHZMMQ-IAQYHMDHSA-N 1 0 343.265 2.574 20 10 EFCDRO C[C@H]([NH2+][C@@H](CN)C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817983221 1276420542 /nfs/dbraw/zinc/42/05/42/1276420542.db2.gz ZRRHGWVHSIOOGV-KSSFIOAISA-N 1 0 335.467 2.830 20 10 EFCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1CNCCO1 ZINC000817983060 1276421387 /nfs/dbraw/zinc/42/13/87/1276421387.db2.gz JTDQRJCTFJUWBA-MJGOQNOKSA-N 1 0 326.440 2.644 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NC(C)(C)CC[NH3+])c2C)cc1 ZINC000818020499 1276435284 /nfs/dbraw/zinc/43/52/84/1276435284.db2.gz AQMKQOJRMBQRFW-UHFFFAOYSA-N 1 0 329.444 2.960 20 10 EFCDRO Cc1cc(C(=O)N2CCCO[C@@H](C[NH3+])C2)c(C)n1-c1ccccc1C ZINC000818012557 1276452139 /nfs/dbraw/zinc/45/21/39/1276452139.db2.gz OLVDWLQYLFIILQ-KRWDZBQOSA-N 1 0 341.455 2.592 20 10 EFCDRO CC(C)n1cncc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000818180593 1276480874 /nfs/dbraw/zinc/48/08/74/1276480874.db2.gz BUVVNPKNHRHXKC-UHFFFAOYSA-N 1 0 346.450 2.854 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3C[C@H](C)N(C4CC4)C3)C2)cc1 ZINC000818221053 1276493348 /nfs/dbraw/zinc/49/33/48/1276493348.db2.gz KVAPGIVHFQXVSO-GVDBMIGSSA-N 1 0 329.488 2.736 20 10 EFCDRO CS(=O)(=O)CCCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000818225016 1276494631 /nfs/dbraw/zinc/49/46/31/1276494631.db2.gz XCDNRQNEGHEIOC-UHFFFAOYSA-N 1 0 333.453 2.974 20 10 EFCDRO CC(C)(C)OC(=O)C(C)(C)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000818227954 1276495648 /nfs/dbraw/zinc/49/56/48/1276495648.db2.gz NQOKTFWCUCKFMG-UHFFFAOYSA-N 1 0 337.416 2.969 20 10 EFCDRO Oc1ccc([C@@H](O)C[NH2+][C@H]2CCc3cccc(Cl)c3C2)cc1O ZINC001170892903 1276496920 /nfs/dbraw/zinc/49/69/20/1276496920.db2.gz JZIYXESDEXAQEC-UGSOOPFHSA-N 1 0 333.815 2.932 20 10 EFCDRO COC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1 ZINC000818342144 1276510013 /nfs/dbraw/zinc/51/00/13/1276510013.db2.gz MJODSMNUBKDGDM-OXQOHEQNSA-N 1 0 348.487 2.553 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)C3(OC)CCOCC3)C2)cc1 ZINC000818341647 1276510157 /nfs/dbraw/zinc/51/01/57/1276510157.db2.gz CKKBCBNIVZTDHD-IRXDYDNUSA-N 1 0 348.487 2.695 20 10 EFCDRO CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccn(C)n1 ZINC000818342111 1276510197 /nfs/dbraw/zinc/51/01/97/1276510197.db2.gz LSODHOGOPYJDRM-MAUKXSAKSA-N 1 0 328.460 2.996 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3nccnc3C)C2)cc1 ZINC000818341546 1276510234 /nfs/dbraw/zinc/51/02/34/1276510234.db2.gz AKFSIXVLSOYYOQ-JKSUJKDBSA-N 1 0 326.444 2.971 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cn(C)nc3C)C2)cc1 ZINC000818345253 1276511287 /nfs/dbraw/zinc/51/12/87/1276511287.db2.gz SNHFQPGUCNGLSA-ZBFHGGJFSA-N 1 0 328.460 2.914 20 10 EFCDRO C[C@@H]1CC2(C[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC[NH2+]CC2 ZINC000818430878 1276515686 /nfs/dbraw/zinc/51/56/86/1276515686.db2.gz AVHJXFZRZIGYRZ-LLVKDONJSA-N 1 0 339.823 2.918 20 10 EFCDRO C[NH+](C)C1(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000923009449 1276517250 /nfs/dbraw/zinc/51/72/50/1276517250.db2.gz SYCCGTMVSPPNTF-UHFFFAOYSA-N 1 0 343.427 2.791 20 10 EFCDRO Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000818635393 1276542274 /nfs/dbraw/zinc/54/22/74/1276542274.db2.gz YLYYPNUAVBEKCC-LBPRGKRZSA-N 1 0 329.400 2.618 20 10 EFCDRO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000818941038 1276554219 /nfs/dbraw/zinc/55/42/19/1276554219.db2.gz BQFSQOYKQAVFOH-IBGZPJMESA-N 1 0 328.456 2.899 20 10 EFCDRO CN1CCCc2cc(C[NH2+]C[C@H](O)COCc3cccs3)ccc21 ZINC000818984540 1276563929 /nfs/dbraw/zinc/56/39/29/1276563929.db2.gz BIHRLFJUJGWUTG-KRWDZBQOSA-N 1 0 346.496 2.798 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3C)cc2F)CC1 ZINC000074134329 1276608169 /nfs/dbraw/zinc/60/81/69/1276608169.db2.gz YIOGAIDZODZNIC-HNNXBMFYSA-N 1 0 348.466 2.662 20 10 EFCDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCSc2nccs2)c1 ZINC000819063664 1276612773 /nfs/dbraw/zinc/61/27/73/1276612773.db2.gz PEEUUTLCDWUUDR-ZDUSSCGKSA-N 1 0 339.442 2.857 20 10 EFCDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCSc2nccs2)c1 ZINC000819063663 1276613290 /nfs/dbraw/zinc/61/32/90/1276613290.db2.gz PEEUUTLCDWUUDR-CYBMUJFWSA-N 1 0 339.442 2.857 20 10 EFCDRO COC[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000819289576 1276704747 /nfs/dbraw/zinc/70/47/47/1276704747.db2.gz FLRKYVPJWVEIDD-HIFRSBDPSA-N 1 0 326.868 2.673 20 10 EFCDRO CSc1ccc([C@H](CNC(=O)c2cccc(O)c2O)[NH+](C)C)cc1 ZINC000819334578 1276733071 /nfs/dbraw/zinc/73/30/71/1276733071.db2.gz BILVDVCENSPDEH-HNNXBMFYSA-N 1 0 346.452 2.852 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N(C)CC2([NH+](C)C)CCC2)cc1F ZINC000187078223 1276734591 /nfs/dbraw/zinc/73/45/91/1276734591.db2.gz BJJASLCMOOTJDG-UHFFFAOYSA-N 1 0 336.455 2.517 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)c3ccc(F)cc3)C2)cc1 ZINC000819379318 1276764236 /nfs/dbraw/zinc/76/42/36/1276764236.db2.gz FOWPONAGXOREGQ-QRWLVFNGSA-N 1 0 344.430 2.984 20 10 EFCDRO C[N@H+](C[C@@H](O)CNc1ccccc1OC[C@H]1CCCCO1)C1CC1 ZINC000819425566 1276782420 /nfs/dbraw/zinc/78/24/20/1276782420.db2.gz DGEOCEAVDZMRPL-DLBZAZTESA-N 1 0 334.460 2.502 20 10 EFCDRO COc1ccc(N2CC[NH+](C[C@H](O)Cc3ccc(F)cc3)CC2)cc1 ZINC000815010451 1287245087 /nfs/dbraw/zinc/24/50/87/1287245087.db2.gz WYVFWGKSCKBHBQ-LJQANCHMSA-N 1 0 344.430 2.560 20 10 EFCDRO CC[C@@H](C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)[NH+](CC)CC ZINC000819584042 1276826294 /nfs/dbraw/zinc/82/62/94/1276826294.db2.gz CNZBJQGOHGPKOL-APWZRJJASA-N 1 0 347.503 2.758 20 10 EFCDRO Cc1cc(C[NH+]2CCC(NC(N)=O)CC2)ccc1N1CCCCC1 ZINC000828012000 1276861517 /nfs/dbraw/zinc/86/15/17/1276861517.db2.gz COZZBRWIFJUMCZ-UHFFFAOYSA-N 1 0 330.476 2.618 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)CN2CCOCC2)cc1F ZINC000789763150 1276971193 /nfs/dbraw/zinc/97/11/93/1276971193.db2.gz FOGLAWGYVBQOLI-MRXNPFEDSA-N 1 0 337.483 2.824 20 10 EFCDRO COc1cc(Br)cc(C[N@H+](C)CCCCCO)c1O ZINC000789763456 1276971360 /nfs/dbraw/zinc/97/13/60/1276971360.db2.gz KYXWEKVTEGUKMR-UHFFFAOYSA-N 1 0 332.238 2.758 20 10 EFCDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000789966541 1277127493 /nfs/dbraw/zinc/12/74/93/1277127493.db2.gz HURMAXNLONVWCV-RYUDHWBXSA-N 1 0 338.423 2.723 20 10 EFCDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1c(O)ccc3ccncc31)C[C@@H](C)O2 ZINC000790399758 1277539148 /nfs/dbraw/zinc/53/91/48/1277539148.db2.gz HOCYTHDRWHJVHF-BIENJYKASA-N 1 0 328.412 2.709 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000790538976 1277612712 /nfs/dbraw/zinc/61/27/12/1277612712.db2.gz MHUFRYBZTWNZCY-GUYCJALGSA-N 1 0 349.475 2.881 20 10 EFCDRO CC[C@@H](CNC(=O)c1cccc(O)c1O)[N@@H+]1CCc2ccccc2C1 ZINC000790533751 1277638432 /nfs/dbraw/zinc/63/84/32/1277638432.db2.gz ZINXMIHYGSVZLF-INIZCTEOSA-N 1 0 340.423 2.665 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+]CCC2(O)CCC2)ccc1N1CCCCC1 ZINC000790638107 1277692574 /nfs/dbraw/zinc/69/25/74/1277692574.db2.gz UIZCOQSNDXRNQX-UHFFFAOYSA-N 1 0 333.432 2.980 20 10 EFCDRO Cc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1N(C)C ZINC000815071022 1287295243 /nfs/dbraw/zinc/29/52/43/1287295243.db2.gz CMSQRAGMBSYBOL-ROUUACIJSA-N 1 0 338.517 2.849 20 10 EFCDRO C[C@@H]([NH2+]Cc1cnn(C)c1Cl)c1ccc(N2CCOCC2)cc1 ZINC000815119154 1287314058 /nfs/dbraw/zinc/31/40/58/1287314058.db2.gz QKHBDSTYSLOPTN-CYBMUJFWSA-N 1 0 334.851 2.761 20 10 EFCDRO CCN(C)c1ccc(C[NH2+][C@H](C(N)=O)[C@@H](C)c2ccccc2)cc1 ZINC000815121850 1287315275 /nfs/dbraw/zinc/31/52/75/1287315275.db2.gz YVFIPJHTYUPVEP-KXBFYZLASA-N 1 0 325.456 2.890 20 10 EFCDRO COc1ccc(N2CC[NH+](CCCNc3nccs3)CC2)cc1 ZINC000746989959 1278013929 /nfs/dbraw/zinc/01/39/29/1278013929.db2.gz BPWIBIJJNDRZIV-UHFFFAOYSA-N 1 0 332.473 2.776 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H]3CCCCO3)C2)cc1C ZINC001090986134 1279116753 /nfs/dbraw/zinc/11/67/53/1279116753.db2.gz PPPVYGQSLVZZQY-TVPLGVNVSA-N 1 0 346.471 2.557 20 10 EFCDRO CCN(C)c1ccc(C[NH+]2CCN(c3nccnc3C)CC2)cc1 ZINC000815107091 1287328653 /nfs/dbraw/zinc/32/86/53/1287328653.db2.gz FWVZKRAEPHIRQP-UHFFFAOYSA-N 1 0 325.460 2.563 20 10 EFCDRO COC(=O)C(C)(C)CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000792773625 1279167539 /nfs/dbraw/zinc/16/75/39/1279167539.db2.gz IELZGLDAYRAMIS-UHFFFAOYSA-N 1 0 334.460 2.544 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)CCN2CCCC2=O)c(C(F)(F)F)c1 ZINC000792819708 1279183397 /nfs/dbraw/zinc/18/33/97/1279183397.db2.gz IXKIWPJKWLRRKX-UHFFFAOYSA-N 1 0 343.393 2.826 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(OCCO)CC2)c(C(F)(F)F)c1 ZINC000792833415 1279192921 /nfs/dbraw/zinc/19/29/21/1279192921.db2.gz BFIMHDCNVQFGKR-UHFFFAOYSA-N 1 0 346.393 2.745 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000792863061 1279199403 /nfs/dbraw/zinc/19/94/03/1279199403.db2.gz RFSMAFRDTVWSDI-QGZVFWFLSA-N 1 0 338.517 2.789 20 10 EFCDRO COc1ccc(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c(O)c1 ZINC000792896203 1279248569 /nfs/dbraw/zinc/24/85/69/1279248569.db2.gz AUVQDVYIVVWAIR-AUUYWEPGSA-N 1 0 349.475 2.711 20 10 EFCDRO CC(C)[NH+](CCNC(=O)NCc1cc(Cl)ccc1O)C(C)C ZINC000844850945 1279309462 /nfs/dbraw/zinc/30/94/62/1279309462.db2.gz ZAMNIBSDBSWRDW-UHFFFAOYSA-N 1 0 327.856 2.964 20 10 EFCDRO [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cccc(Br)c1[O-])C2 ZINC000844902530 1279324028 /nfs/dbraw/zinc/32/40/28/1279324028.db2.gz OTOVJJAQCMYFEF-WFASDCNBSA-N 1 0 325.250 2.716 20 10 EFCDRO C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1CC[NH3+] ZINC000844902608 1279325721 /nfs/dbraw/zinc/32/57/21/1279325721.db2.gz SYGCDSXRFLBGAP-MFKMUULPSA-N 1 0 327.812 2.903 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000844923426 1279342395 /nfs/dbraw/zinc/34/23/95/1279342395.db2.gz IBODNQUUJGZQJE-NSHDSACASA-N 1 0 332.375 2.627 20 10 EFCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793029578 1279349512 /nfs/dbraw/zinc/34/95/12/1279349512.db2.gz XBYIRQXCDWCROO-UKRRQHHQSA-N 1 0 343.393 2.776 20 10 EFCDRO C[C@@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@@H](C(N)=O)C1 ZINC000793091757 1279366002 /nfs/dbraw/zinc/36/60/02/1279366002.db2.gz FQVDXDZKRSIVMY-IAQYHMDHSA-N 1 0 343.393 2.857 20 10 EFCDRO C[C@@H](NC(=O)N(C)CC[NH+]1CCCCC1)c1ccc(N(C)C)cc1 ZINC000845126241 1279452927 /nfs/dbraw/zinc/45/29/27/1279452927.db2.gz YUJIJYCYAAUWRZ-MRXNPFEDSA-N 1 0 332.492 2.941 20 10 EFCDRO Oc1ccc(Br)cc1CNc1cnc2c(c1)C[NH2+]CC2 ZINC001171178326 1279586859 /nfs/dbraw/zinc/58/68/59/1279586859.db2.gz WWBAOJMTZZXKNG-UHFFFAOYSA-N 1 0 334.217 2.808 20 10 EFCDRO COc1ccc(C[NH2+]Cc2cc3c(C)nn(C)c3nc2Cl)c(O)c1 ZINC000793386331 1279613815 /nfs/dbraw/zinc/61/38/15/1279613815.db2.gz MEEBNIAABKVJTM-UHFFFAOYSA-N 1 0 346.818 2.934 20 10 EFCDRO COC(=O)[C@@H](C)Oc1ccc(C[NH2+]Cc2ccc(OC)cc2O)cc1 ZINC000793389077 1279614469 /nfs/dbraw/zinc/61/44/69/1279614469.db2.gz UZBOKCSRASGULM-CYBMUJFWSA-N 1 0 345.395 2.631 20 10 EFCDRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2O)C1 ZINC000793388563 1279616683 /nfs/dbraw/zinc/61/66/83/1279616683.db2.gz PSJFSBFGKOJVLD-CHWSQXEVSA-N 1 0 343.370 2.858 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1F ZINC000793591852 1279761754 /nfs/dbraw/zinc/76/17/54/1279761754.db2.gz RVFKNPKDCICQFC-HOTGVXAUSA-N 1 0 337.483 2.559 20 10 EFCDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000793609530 1279772326 /nfs/dbraw/zinc/77/23/26/1279772326.db2.gz LTURWXQYWYSBJF-KBXCAEBGSA-N 1 0 343.423 2.911 20 10 EFCDRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000793609532 1279772607 /nfs/dbraw/zinc/77/26/07/1279772607.db2.gz LTURWXQYWYSBJF-KSSFIOAISA-N 1 0 343.423 2.911 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC(n3ncc4ccccc43)CC2)c(O)c1 ZINC001144514909 1279773862 /nfs/dbraw/zinc/77/38/62/1279773862.db2.gz XIIJWEMVNRSSQS-UHFFFAOYSA-N 1 0 339.395 2.990 20 10 EFCDRO C[C@H](c1ccccc1)N1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144514568 1279773894 /nfs/dbraw/zinc/77/38/94/1279773894.db2.gz KXKBPINPVIUQAZ-CQSZACIVSA-N 1 0 328.412 2.682 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC(Sc3ccncc3)CC2)c(O)c1 ZINC001144514946 1279774050 /nfs/dbraw/zinc/77/40/50/1279774050.db2.gz YMVDLGNFLSOVSO-UHFFFAOYSA-N 1 0 332.425 2.955 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c(O)c1 ZINC001144516396 1279778918 /nfs/dbraw/zinc/77/89/18/1279778918.db2.gz XPZMNUGPBVGVSQ-MAUKXSAKSA-N 1 0 340.423 2.510 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(=O)n3ccccc3n2)cc1 ZINC000846109815 1280019946 /nfs/dbraw/zinc/01/99/46/1280019946.db2.gz WGZUSVIGDLQJEW-UHFFFAOYSA-N 1 0 336.439 2.831 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(C3CCCCC3)C2=O)c1O ZINC000846152304 1280038598 /nfs/dbraw/zinc/03/85/98/1280038598.db2.gz ABHBGBSVSPMHHE-CJNGLKHVSA-N 1 0 332.444 2.985 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c1O ZINC000846150542 1280038722 /nfs/dbraw/zinc/03/87/22/1280038722.db2.gz RGGDBIVTJHUBCP-HIFRSBDPSA-N 1 0 332.444 2.843 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c1O ZINC000846151468 1280038751 /nfs/dbraw/zinc/03/87/51/1280038751.db2.gz YWMIPNUBVJASIN-USXIJHARSA-N 1 0 334.460 2.695 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c1O ZINC000846156282 1280041083 /nfs/dbraw/zinc/04/10/83/1280041083.db2.gz DBIVPFGCMSSSQA-YSVLISHTSA-N 1 0 331.412 2.536 20 10 EFCDRO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846168584 1280044895 /nfs/dbraw/zinc/04/48/95/1280044895.db2.gz KPTSAIUPIOCEME-HIFRSBDPSA-N 1 0 331.412 2.836 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c1O ZINC000846167280 1280045318 /nfs/dbraw/zinc/04/53/18/1280045318.db2.gz WBXYOZJNAOVUPM-CYBMUJFWSA-N 1 0 328.416 2.510 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)c1O ZINC000846167638 1280045644 /nfs/dbraw/zinc/04/56/44/1280045644.db2.gz AAHVSEDMIUFBBU-GDZNZVCISA-N 1 0 331.416 2.705 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c1O ZINC000846167281 1280045723 /nfs/dbraw/zinc/04/57/23/1280045723.db2.gz WBXYOZJNAOVUPM-ZDUSSCGKSA-N 1 0 328.416 2.510 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)c1O ZINC000846171827 1280047291 /nfs/dbraw/zinc/04/72/91/1280047291.db2.gz IBRCALDOMUASIU-WBMJQRKESA-N 1 0 344.386 2.996 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)c1O ZINC000846172618 1280047680 /nfs/dbraw/zinc/04/76/80/1280047680.db2.gz ZOARRDNIDVBJEQ-CHWSQXEVSA-N 1 0 344.386 2.996 20 10 EFCDRO COCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846135685 1280049018 /nfs/dbraw/zinc/04/90/18/1280049018.db2.gz FYPKDUWQNJJINQ-ZDUSSCGKSA-N 1 0 344.411 2.837 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccco3)CC2)c1O ZINC000846137775 1280050081 /nfs/dbraw/zinc/05/00/81/1280050081.db2.gz GVJYOWYHYRNFAK-CYBMUJFWSA-N 1 0 344.411 2.949 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CCc2cccc(C(=O)N(C)C)c2)c1O ZINC000846143076 1280051003 /nfs/dbraw/zinc/05/10/03/1280051003.db2.gz AOLCZBRKKZYQPC-AWEZNQCLSA-N 1 0 342.439 2.996 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)c1O ZINC000846142141 1280051220 /nfs/dbraw/zinc/05/12/20/1280051220.db2.gz CEBGWKDXEAYVGF-JSGCOSHPSA-N 1 0 335.375 2.630 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)c1O ZINC000846142562 1280051425 /nfs/dbraw/zinc/05/14/25/1280051425.db2.gz VKRQRRAXYJPCLF-ZIAGYGMSSA-N 1 0 328.412 2.756 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CCNC(=O)c2ccc(F)cc2)c1O ZINC000846147061 1280051958 /nfs/dbraw/zinc/05/19/58/1280051958.db2.gz VGMMWWIMFYYDAG-LBPRGKRZSA-N 1 0 332.375 2.621 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000846145385 1280052461 /nfs/dbraw/zinc/05/24/61/1280052461.db2.gz ALDPAFLIVJUUNX-PBHICJAKSA-N 1 0 340.423 2.853 20 10 EFCDRO COc1ccc(N(C)CCN(C)C(=O)Nc2cccc(C[NH3+])c2)cc1 ZINC000846310614 1280111478 /nfs/dbraw/zinc/11/14/78/1280111478.db2.gz NSZBYDHLWOBSPW-UHFFFAOYSA-N 1 0 342.443 2.754 20 10 EFCDRO CC[NH+](CC)CCSCC(=O)NCc1cc(Cl)ccc1O ZINC000846475297 1280191776 /nfs/dbraw/zinc/19/17/76/1280191776.db2.gz FOTIRSFNIYTRKA-UHFFFAOYSA-N 1 0 330.881 2.737 20 10 EFCDRO O=C(NCc1cc(Cl)ccc1O)[C@H]1CCCN1Cc1ccccn1 ZINC000846475772 1280191817 /nfs/dbraw/zinc/19/18/17/1280191817.db2.gz IYGSKLRGQIPUOP-MRXNPFEDSA-N 1 0 345.830 2.721 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc3ccccc3n2C)cc1 ZINC000846663858 1280381025 /nfs/dbraw/zinc/38/10/25/1280381025.db2.gz PXELOIMFDUHDRS-QGZVFWFLSA-N 1 0 336.439 2.674 20 10 EFCDRO COc1ccc(N(C)CCN(C)C(=O)C[C@H](C)C2CC[NH2+]CC2)cc1 ZINC000846696264 1280425574 /nfs/dbraw/zinc/42/55/74/1280425574.db2.gz DLQYNEJFPVESKN-INIZCTEOSA-N 1 0 347.503 2.616 20 10 EFCDRO COc1ccc(N(C)CCN(C)C(=O)C[C@H]([NH3+])c2ccccc2)cc1 ZINC000846697296 1280426653 /nfs/dbraw/zinc/42/66/53/1280426653.db2.gz MZYVJEBQBIZYRY-IBGZPJMESA-N 1 0 341.455 2.680 20 10 EFCDRO COc1ccc(N(C)CCN(C)C(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000846697656 1280430079 /nfs/dbraw/zinc/43/00/79/1280430079.db2.gz TZIWCPZCRJLDQH-SJORKVTESA-N 1 0 347.503 2.616 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3c[nH]cc3C)C2)cc1C ZINC001091361723 1280432925 /nfs/dbraw/zinc/43/29/25/1280432925.db2.gz IOCRKUYUNAFJDP-UHFFFAOYSA-N 1 0 341.455 2.938 20 10 EFCDRO CC1(C)C[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CCO1 ZINC000872077479 1287421775 /nfs/dbraw/zinc/42/17/75/1287421775.db2.gz JERSGCKNONYJMU-AWEZNQCLSA-N 1 0 340.414 2.849 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NCC2CC([NH2+]CCC3CC3)C2)cc1 ZINC001091385958 1280455530 /nfs/dbraw/zinc/45/55/30/1280455530.db2.gz VUSRGKLGBAKBKY-UHFFFAOYSA-N 1 0 343.431 2.747 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CCn2ccc(C(F)(F)F)n2)c1O ZINC000872108526 1287430966 /nfs/dbraw/zinc/43/09/66/1287430966.db2.gz ABHLKBOQYDWCOH-JTQLQIEISA-N 1 0 329.322 2.967 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CN(c3ccccc3)CCO2)c1 ZINC000846845162 1280572956 /nfs/dbraw/zinc/57/29/56/1280572956.db2.gz UHFCXLOZKOXDAL-MAUKXSAKSA-N 1 0 342.439 2.957 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCn2ccc(C(F)(F)F)n2)c1 ZINC000872108992 1287431564 /nfs/dbraw/zinc/43/15/64/1287431564.db2.gz FXMVFEJJIPJCTD-SNVBAGLBSA-N 1 0 329.322 2.967 20 10 EFCDRO C[C@H](C[C@@H](C)[NH2+]CC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146661667 1280965252 /nfs/dbraw/zinc/96/52/52/1280965252.db2.gz BXAWRWPQSGKXQS-VXGBXAGGSA-N 1 0 331.420 2.746 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000806135425 1280977588 /nfs/dbraw/zinc/97/75/88/1280977588.db2.gz SUFKYYZIYQSSSB-UXHICEINSA-N 1 0 329.488 2.595 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000806127872 1280985521 /nfs/dbraw/zinc/98/55/21/1280985521.db2.gz KYFKLRQDMIXFLT-NHCUHLMSSA-N 1 0 343.515 2.986 20 10 EFCDRO COCCC[C@H](C)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001170500955 1281001890 /nfs/dbraw/zinc/00/18/90/1281001890.db2.gz RZLQTLSJFVEUBG-HNNXBMFYSA-N 1 0 336.476 2.662 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H](C(C)C)C2)cc1C ZINC001146776004 1281030454 /nfs/dbraw/zinc/03/04/54/1281030454.db2.gz BGDUIYKQBGXLBZ-MJGOQNOKSA-N 1 0 348.487 2.661 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2[nH]cnc2C)cc1C ZINC001146830318 1281055452 /nfs/dbraw/zinc/05/54/52/1281055452.db2.gz LMUOZVNFFOBXKN-UONOGXRCSA-N 1 0 344.459 2.722 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2coc(C3CCC3)n2)cc1C ZINC001147109172 1281108051 /nfs/dbraw/zinc/10/80/51/1281108051.db2.gz KKUOMKFDWMPHGS-UHFFFAOYSA-N 1 0 343.427 2.779 20 10 EFCDRO COCc1ccccc1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001130777837 1281175981 /nfs/dbraw/zinc/17/59/81/1281175981.db2.gz SKTMIUVKCDGPTF-UHFFFAOYSA-N 1 0 342.439 2.670 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc3cnccc3o2)cc1C ZINC001130874827 1281240061 /nfs/dbraw/zinc/24/00/61/1281240061.db2.gz PNKJBHQGGFQJNS-UHFFFAOYSA-N 1 0 339.395 2.664 20 10 EFCDRO CCn1c(C)cc(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)c1C ZINC001130974853 1281336676 /nfs/dbraw/zinc/33/66/76/1281336676.db2.gz RYUBORSCRANBJP-UHFFFAOYSA-N 1 0 343.471 2.961 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000103611657 1281404668 /nfs/dbraw/zinc/40/46/68/1281404668.db2.gz NUUYCAIXBSZIOL-LSDHHAIUSA-N 1 0 349.475 2.881 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000103611653 1281404835 /nfs/dbraw/zinc/40/48/35/1281404835.db2.gz NUUYCAIXBSZIOL-CABCVRRESA-N 1 0 349.475 2.881 20 10 EFCDRO COc1ccc(N2CCC[N@H+](CN3C(=O)CCC3(C)C)CC2)cc1 ZINC000808142179 1281557128 /nfs/dbraw/zinc/55/71/28/1281557128.db2.gz LASABXJXLWWARV-UHFFFAOYSA-N 1 0 331.460 2.566 20 10 EFCDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000808218517 1281594241 /nfs/dbraw/zinc/59/42/41/1281594241.db2.gz SSUUVOVFADSIMF-OAHLLOKOSA-N 1 0 327.428 2.679 20 10 EFCDRO O=C([C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1)N1CCCC1 ZINC000808209039 1281603541 /nfs/dbraw/zinc/60/35/41/1281603541.db2.gz SHKHBTMOQSEFHP-KRWDZBQOSA-N 1 0 328.456 2.715 20 10 EFCDRO CN(C)c1ccccc1C[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000808235658 1281617207 /nfs/dbraw/zinc/61/72/07/1281617207.db2.gz BAAHTRDZZGHLFI-SFHVURJKSA-N 1 0 328.412 2.516 20 10 EFCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)Cc2ccccc2O1 ZINC000808236637 1281619698 /nfs/dbraw/zinc/61/96/98/1281619698.db2.gz ILCBBVFTWCEBNY-QGZVFWFLSA-N 1 0 341.407 2.991 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNCc3noc4c3CCCC4)cc2)CC1 ZINC000808436442 1281710572 /nfs/dbraw/zinc/71/05/72/1281710572.db2.gz XEQRUCOBXCKGSI-UHFFFAOYSA-N 1 0 340.471 2.595 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CCSC)C(=O)N(C)C)cc1 ZINC000808438301 1281711030 /nfs/dbraw/zinc/71/10/30/1281711030.db2.gz BLPLIYQDIMSLAY-KRWDZBQOSA-N 1 0 337.533 2.832 20 10 EFCDRO CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)c1O ZINC000808445775 1281714787 /nfs/dbraw/zinc/71/47/87/1281714787.db2.gz ZIBSBODARFCPIH-YESZJQIVSA-N 1 0 332.444 2.528 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H](O)c1ccccc1 ZINC000808446821 1281715183 /nfs/dbraw/zinc/71/51/83/1281715183.db2.gz WWSOTYOWCDHVQT-JXFKEZNVSA-N 1 0 326.440 2.735 20 10 EFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)c1O ZINC000808708424 1281868007 /nfs/dbraw/zinc/86/80/07/1281868007.db2.gz MBLUUFARURMHBN-NSHDSACASA-N 1 0 331.865 2.829 20 10 EFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1O ZINC000808719612 1281872816 /nfs/dbraw/zinc/87/28/16/1281872816.db2.gz WSROIBRBUVLDMG-NWDGAFQWSA-N 1 0 331.865 2.829 20 10 EFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)c1O ZINC000808697892 1281877264 /nfs/dbraw/zinc/87/72/64/1281877264.db2.gz YGHRJZXVYKUVOE-OCCSQVGLSA-N 1 0 326.868 2.973 20 10 EFCDRO CCO[C@@H]1CN(C(=O)C(C)C)C[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001087026504 1282063687 /nfs/dbraw/zinc/06/36/87/1282063687.db2.gz BBMCPWFCRXRVCK-IEBWSBKVSA-N 1 0 348.487 2.613 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)CC(F)(F)F)cc1C ZINC001131667970 1282167685 /nfs/dbraw/zinc/16/76/85/1282167685.db2.gz DITPDPJBADDHQL-GFCCVEGCSA-N 1 0 332.366 2.798 20 10 EFCDRO CCC[C@@](C)(CO)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000124075315 1287557614 /nfs/dbraw/zinc/55/76/14/1287557614.db2.gz RCEOGUCNNJBJPI-AWEZNQCLSA-N 1 0 332.238 2.804 20 10 EFCDRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809538282 1282272168 /nfs/dbraw/zinc/27/21/68/1282272168.db2.gz CYHJYQFWYZKVEE-HXUWFJFHSA-N 1 0 349.478 2.947 20 10 EFCDRO C[C@@H]([NH2+]Cc1cnc([C@H](C)O)s1)c1ccc(N2CCOCC2)cc1 ZINC000809611269 1282316710 /nfs/dbraw/zinc/31/67/10/1282316710.db2.gz XUZMNKZDXCZMID-KGLIPLIRSA-N 1 0 347.484 2.884 20 10 EFCDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(OCC)ccc1O ZINC000809691180 1282376369 /nfs/dbraw/zinc/37/63/69/1282376369.db2.gz JFCCJIPCJXCJKY-HNNXBMFYSA-N 1 0 336.432 2.892 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H](c3nncn3C)C(C)C)CC2)cc1 ZINC000809691615 1282376552 /nfs/dbraw/zinc/37/65/52/1282376552.db2.gz KQSNXXUUXDICQV-SFHVURJKSA-N 1 0 343.475 2.779 20 10 EFCDRO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000809726725 1282408940 /nfs/dbraw/zinc/40/89/40/1282408940.db2.gz URRXYCNQSDUCNZ-HNNXBMFYSA-N 1 0 336.432 2.892 20 10 EFCDRO COCC[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccn1 ZINC000809735008 1282414082 /nfs/dbraw/zinc/41/40/82/1282414082.db2.gz VKDYKKPBSRMESU-UHFFFAOYSA-N 1 0 341.455 2.567 20 10 EFCDRO CN(C)c1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1F ZINC000809735046 1282414138 /nfs/dbraw/zinc/41/41/38/1282414138.db2.gz QSCRGNFHMFUNPQ-UHFFFAOYSA-N 1 0 332.379 2.765 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@@H](O)c2ccc(C)cc2)cc1OC ZINC000809701868 1282415087 /nfs/dbraw/zinc/41/50/87/1282415087.db2.gz NCAFJRCOEAWTKX-ORAYPTAESA-N 1 0 331.412 2.930 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2COC(=O)N(C)C)c(O)c1 ZINC000809709135 1282419649 /nfs/dbraw/zinc/41/96/49/1282419649.db2.gz NIRXZNHZKHVUOD-OAHLLOKOSA-N 1 0 336.432 2.844 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2COC(=O)NC(C)C)c1 ZINC000809720277 1282425824 /nfs/dbraw/zinc/42/58/24/1282425824.db2.gz CSBFSLHNHKHADP-HNNXBMFYSA-N 1 0 336.432 2.890 20 10 EFCDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809724535 1282426900 /nfs/dbraw/zinc/42/69/00/1282426900.db2.gz OMJRSPNQVQPYLR-LPHOPBHVSA-N 1 0 347.478 2.721 20 10 EFCDRO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000809723205 1282427148 /nfs/dbraw/zinc/42/71/48/1282427148.db2.gz RMUZNHGDLMRKCG-HNNXBMFYSA-N 1 0 336.432 2.844 20 10 EFCDRO C[NH+](C)CCCNC(=O)c1ccc(Nc2cccc(O)c2O)cc1 ZINC001175826924 1287573457 /nfs/dbraw/zinc/57/34/57/1287573457.db2.gz RQXBXWHZMIOCJO-UHFFFAOYSA-N 1 0 329.400 2.523 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CCNC(C)=O)C2)c1O ZINC000809777921 1282478198 /nfs/dbraw/zinc/47/81/98/1282478198.db2.gz IRCUHRUCXXWXCL-ZDUSSCGKSA-N 1 0 340.851 2.792 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@@]1(C)CCCO1 ZINC000815564695 1287598985 /nfs/dbraw/zinc/59/89/85/1287598985.db2.gz PSFMXLSRBCGVAS-OXQOHEQNSA-N 1 0 332.488 2.943 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@@]1(C)CCCO1 ZINC000815564930 1287599110 /nfs/dbraw/zinc/59/91/10/1287599110.db2.gz XSXICCDWKQONDV-AUUYWEPGSA-N 1 0 336.451 2.834 20 10 EFCDRO CN(C)C[C@@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815577156 1287608222 /nfs/dbraw/zinc/60/82/22/1287608222.db2.gz IBBBPWTYYMGWTK-HKUYNNGSSA-N 1 0 328.456 2.578 20 10 EFCDRO C[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])N1CC[NH+](C)CC1 ZINC000815576827 1287608710 /nfs/dbraw/zinc/60/87/10/1287608710.db2.gz ZFYXPPBRBPMGHO-STQMWFEESA-N 1 0 345.409 2.698 20 10 EFCDRO CC[C@@H]([NH2+]C1CN(C(=O)OC)C1)c1ccc(C(F)(F)F)cc1O ZINC000810228009 1283056486 /nfs/dbraw/zinc/05/64/86/1283056486.db2.gz PCKOFLGNOMWHOR-GFCCVEGCSA-N 1 0 332.322 2.902 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CC(N)=O)cc2)c2c1c(F)ccc2O ZINC000810242037 1283094594 /nfs/dbraw/zinc/09/45/94/1283094594.db2.gz JEVXWGKPNXZKHS-ABAIWWIYSA-N 1 0 328.387 2.897 20 10 EFCDRO C[C@@H]([NH2+]CCc1cn[nH]c1)c1ccc(N2CCOCC2)cc1Cl ZINC000810247279 1283101043 /nfs/dbraw/zinc/10/10/43/1283101043.db2.gz JCJVSUXJVNRDJW-CYBMUJFWSA-N 1 0 334.851 2.793 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2c[nH]nc2C)cc1C ZINC001135144334 1287661567 /nfs/dbraw/zinc/66/15/67/1287661567.db2.gz XTLCRMMYBAXKEJ-ZIAGYGMSSA-N 1 0 344.459 2.722 20 10 EFCDRO COCCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001132582521 1283951865 /nfs/dbraw/zinc/95/18/65/1283951865.db2.gz RPLZDIVPXQMKAU-CRAIPNDOSA-N 1 0 348.487 2.614 20 10 EFCDRO COc1ccc(O)c(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000715108019 1284032249 /nfs/dbraw/zinc/03/22/49/1284032249.db2.gz DKRNZOVIOCNILN-XBXGTLAGSA-N 1 0 336.432 2.794 20 10 EFCDRO CCn1ccc(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)c1C ZINC001132730441 1284222993 /nfs/dbraw/zinc/22/29/93/1284222993.db2.gz VDNRLUZDLZNGHS-UHFFFAOYSA-N 1 0 329.444 2.653 20 10 EFCDRO CCN(CC)C(=O)C[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715758215 1284324502 /nfs/dbraw/zinc/32/45/02/1284324502.db2.gz JFLFSVRCMMNWDJ-UHFFFAOYSA-N 1 0 347.228 2.594 20 10 EFCDRO C[NH+](C)CC(C)(C)C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715814145 1284368950 /nfs/dbraw/zinc/36/89/50/1284368950.db2.gz PNBJXLRWJDKLLR-UHFFFAOYSA-N 1 0 333.245 2.971 20 10 EFCDRO Oc1cc2c(cc1C[NH+]1CCC3(CCSCC3)CC1)[C@H](O)CO2 ZINC000872645981 1287715725 /nfs/dbraw/zinc/71/57/25/1287715725.db2.gz VSAAWCKPPOTDCV-MRXNPFEDSA-N 1 0 335.469 2.927 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C)C[C@H]2C)cc1C ZINC001093967991 1284655675 /nfs/dbraw/zinc/65/56/75/1284655675.db2.gz ZPWYXMXCSBWTFA-MOIQIXESSA-N 1 0 330.472 2.844 20 10 EFCDRO CC[C@H](F)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001093970477 1284658153 /nfs/dbraw/zinc/65/81/53/1284658153.db2.gz LRAGFSNAPCPCAS-OIISXLGYSA-N 1 0 336.451 2.936 20 10 EFCDRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000811884997 1284730493 /nfs/dbraw/zinc/73/04/93/1284730493.db2.gz SSNYHWAHYYITAE-KRWDZBQOSA-N 1 0 344.503 2.982 20 10 EFCDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000811931747 1284755535 /nfs/dbraw/zinc/75/55/35/1284755535.db2.gz REMAHZMGHXNQJD-INIZCTEOSA-N 1 0 346.519 2.989 20 10 EFCDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCCSc1nccs1 ZINC000812154988 1284930910 /nfs/dbraw/zinc/93/09/10/1284930910.db2.gz XYWMOJOMYKWIKT-GFCCVEGCSA-N 1 0 330.523 2.653 20 10 EFCDRO COc1ccc(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)c(C)c1 ZINC001133201143 1284960070 /nfs/dbraw/zinc/96/00/70/1284960070.db2.gz VGPUUNRGCLURBA-UHFFFAOYSA-N 1 0 342.439 2.840 20 10 EFCDRO COCC[C@@H]1COCC[N@@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000812299956 1285063837 /nfs/dbraw/zinc/06/38/37/1285063837.db2.gz ROXKNNTUQGUJND-OAHLLOKOSA-N 1 0 331.412 2.791 20 10 EFCDRO CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1C ZINC001133353551 1285246852 /nfs/dbraw/zinc/24/68/52/1285246852.db2.gz DNMCXBCUYHOWJD-UKRRQHHQSA-N 1 0 345.447 2.947 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)c1 ZINC000822507927 1289019011 /nfs/dbraw/zinc/01/90/11/1289019011.db2.gz LIGGJRJYUNSRLS-BBRMVZONSA-N 1 0 348.443 2.842 20 10 EFCDRO Cc1cc(Br)cc(CN2C[C@H]([NH3+])CC(F)(F)C2)c1O ZINC001206139897 1285654948 /nfs/dbraw/zinc/65/49/48/1285654948.db2.gz RYCSFPWXOAATSF-LLVKDONJSA-N 1 0 335.192 2.631 20 10 EFCDRO COc1cc(C(=O)N[C@H](C)CCCC[NH2+]CCC2CC2)cc(OC)n1 ZINC001171676297 1285708570 /nfs/dbraw/zinc/70/85/70/1285708570.db2.gz AIMMQFFXFFGRPJ-CQSZACIVSA-N 1 0 349.475 2.777 20 10 EFCDRO COc1cc(C(=O)N[C@H](C)CCCC[NH2+]CC2CCC2)cc(OC)n1 ZINC001171676295 1285708840 /nfs/dbraw/zinc/70/88/40/1285708840.db2.gz AFGANTYFJDCLJZ-CQSZACIVSA-N 1 0 349.475 2.777 20 10 EFCDRO CCCC[NH2+]CCCC[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001171676589 1285708956 /nfs/dbraw/zinc/70/89/56/1285708956.db2.gz JILRZNXKALDSGA-CQSZACIVSA-N 1 0 337.464 2.777 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC001171691643 1285753451 /nfs/dbraw/zinc/75/34/51/1285753451.db2.gz UFJCYXQJBPPRDM-DZGCQCFKSA-N 1 0 347.459 2.939 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2cnsn2)cc1C ZINC001133785311 1285935397 /nfs/dbraw/zinc/93/53/97/1285935397.db2.gz MSEZWIDIEVHANI-STQMWFEESA-N 1 0 348.472 2.542 20 10 EFCDRO O=C1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CCN1C1CC1 ZINC001172000391 1285947481 /nfs/dbraw/zinc/94/74/81/1285947481.db2.gz OXBCAXSMMVLOEE-KRWDZBQOSA-N 1 0 327.472 2.920 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2cnns2)cc1C ZINC001133804792 1285956958 /nfs/dbraw/zinc/95/69/58/1285956958.db2.gz YYCYLYAGLRBPPN-OLZOCXBDSA-N 1 0 348.472 2.542 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2ccon2)cc1C ZINC001133821030 1285976621 /nfs/dbraw/zinc/97/66/21/1285976621.db2.gz MFMMDYSEDLVROS-KGLIPLIRSA-N 1 0 331.416 2.678 20 10 EFCDRO O=C1CC[C@@H]2C[C@@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)CCN12 ZINC001172148446 1286038787 /nfs/dbraw/zinc/03/87/87/1286038787.db2.gz XYJXKKGRYSGKDZ-PKOBYXMFSA-N 1 0 327.472 2.920 20 10 EFCDRO O=C1CC[C@H]2C[C@@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)CCN12 ZINC001172148443 1286039130 /nfs/dbraw/zinc/03/91/30/1286039130.db2.gz XYJXKKGRYSGKDZ-HKUYNNGSSA-N 1 0 327.472 2.920 20 10 EFCDRO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c(O)c1O ZINC000813828388 1286130909 /nfs/dbraw/zinc/13/09/09/1286130909.db2.gz RXUFBBGACBDZFN-PBHICJAKSA-N 1 0 340.423 2.799 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc2ccon2)cc1C ZINC001133987949 1286200277 /nfs/dbraw/zinc/20/02/77/1286200277.db2.gz GOZHZDWDFXSOMM-HUUCEWRRSA-N 1 0 345.443 2.607 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc2ccon2)cc1C ZINC001133987948 1286200534 /nfs/dbraw/zinc/20/05/34/1286200534.db2.gz GOZHZDWDFXSOMM-GJZGRUSLSA-N 1 0 345.443 2.607 20 10 EFCDRO COC(=O)[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001172616320 1286205982 /nfs/dbraw/zinc/20/59/82/1286205982.db2.gz LIOVFWXQMJRVLU-PKOBYXMFSA-N 1 0 346.471 2.687 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2ocnc2C)cc1C ZINC001134022746 1286224620 /nfs/dbraw/zinc/22/46/20/1286224620.db2.gz UTTOEERWSYFGSE-KBPBESRZSA-N 1 0 345.443 2.987 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@@H](C)CCC(=O)OC(C)C)CC2)cc1 ZINC001172749883 1286256918 /nfs/dbraw/zinc/25/69/18/1286256918.db2.gz NMFPQRHRUSFZPG-INIZCTEOSA-N 1 0 334.460 2.938 20 10 EFCDRO Cc1cc(C)c(C[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC001172887969 1286320191 /nfs/dbraw/zinc/32/01/91/1286320191.db2.gz WAKMXIMEIANMHM-UHFFFAOYSA-N 1 0 348.487 2.905 20 10 EFCDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000814171363 1286355053 /nfs/dbraw/zinc/35/50/53/1286355053.db2.gz LXJRTQVJYSJSIL-HXUWFJFHSA-N 1 0 341.407 2.718 20 10 EFCDRO CN(C)c1ccc(C[NH2+]Cc2cnnn2-c2ccccc2)cc1F ZINC000814298309 1286500334 /nfs/dbraw/zinc/50/03/34/1286500334.db2.gz QWWNCDMTOGEDFD-UHFFFAOYSA-N 1 0 325.391 2.762 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CC(C)(C)O)cc1C ZINC001134240248 1286501631 /nfs/dbraw/zinc/50/16/31/1286501631.db2.gz OGAIROMMKGILBE-CABCVRRESA-N 1 0 336.476 2.538 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2n[nH]cc2C)cc1C ZINC001134303260 1286544727 /nfs/dbraw/zinc/54/47/27/1286544727.db2.gz QNGUKJNQIFBTSN-GJZGRUSLSA-N 1 0 344.459 2.722 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC2(O)CCC2)cc1C ZINC001134308582 1286549431 /nfs/dbraw/zinc/54/94/31/1286549431.db2.gz UUKSRPVKICAEEC-JKSUJKDBSA-N 1 0 348.487 2.682 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)C2CCS(=O)(=O)CC2)c2ccccc21 ZINC001204240412 1289091703 /nfs/dbraw/zinc/09/17/03/1289091703.db2.gz RQABAXUYXKKPAT-UHFFFAOYSA-N 1 0 346.496 2.915 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)CO[C@@H]2CCCC[C@H]2C)cc1C ZINC001134636762 1286971886 /nfs/dbraw/zinc/97/18/86/1286971886.db2.gz TUHMXUPRDPINNQ-DNVCBOLYSA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)CO[C@H]2CCCC[C@H]2C)cc1C ZINC001134636761 1286972135 /nfs/dbraw/zinc/97/21/35/1286972135.db2.gz TUHMXUPRDPINNQ-BEFAXECRSA-N 1 0 348.487 2.805 20 10 EFCDRO Cc1c[nH+]ccc1Nc1ccc(I)cc1O ZINC001174538959 1287039498 /nfs/dbraw/zinc/03/94/98/1287039498.db2.gz TXOWWZQIOBRHMP-UHFFFAOYSA-N 1 0 326.137 2.866 20 10 EFCDRO COC(=O)c1cc(Br)cc(Nc2cc[nH+]c(C)c2)c1O ZINC001174657380 1287121082 /nfs/dbraw/zinc/12/10/82/1287121082.db2.gz UFAUSGWWSWXNBE-UHFFFAOYSA-N 1 0 337.173 2.810 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)c2c(C)noc2C)cc1C ZINC001135312689 1287940859 /nfs/dbraw/zinc/94/08/59/1287940859.db2.gz BTPARHYRPLWTFV-CYBMUJFWSA-N 1 0 345.443 2.618 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2n[nH]cc2F)cc1C ZINC001135407227 1288002744 /nfs/dbraw/zinc/00/27/44/1288002744.db2.gz GCGVEUROCLFWSU-QWHCGFSZSA-N 1 0 348.422 2.553 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)CC[C@H]2CC[C@H](C)O2)cc1C ZINC001176669574 1288063903 /nfs/dbraw/zinc/06/39/03/1288063903.db2.gz ZNQIWOLYYCHPPM-FUHWJXTLSA-N 1 0 348.487 2.947 20 10 EFCDRO O=C1NCCCN1C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816516260 1288185101 /nfs/dbraw/zinc/18/51/01/1288185101.db2.gz ZGEQPJNHLSKAJA-UHFFFAOYSA-N 1 0 339.439 2.925 20 10 EFCDRO OCCn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc2ccccc2c1O ZINC000816539076 1288196523 /nfs/dbraw/zinc/19/65/23/1288196523.db2.gz QYZFHJFPLMGTOV-SFHVURJKSA-N 1 0 337.423 2.901 20 10 EFCDRO CC(C)CN1CCO[C@H](C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816528500 1288204901 /nfs/dbraw/zinc/20/49/01/1288204901.db2.gz FTZOPOIFQWOBNL-GOSISDBHSA-N 1 0 328.456 2.992 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000816624730 1288215455 /nfs/dbraw/zinc/21/54/55/1288215455.db2.gz FXEDXSINXHYJLM-UHFFFAOYSA-N 1 0 327.424 2.927 20 10 EFCDRO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000816600214 1288220728 /nfs/dbraw/zinc/22/07/28/1288220728.db2.gz OZXGYVJWLQVIDW-MRXNPFEDSA-N 1 0 333.453 2.945 20 10 EFCDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc3ccccc3c2O)CCCC1 ZINC000816608560 1288222371 /nfs/dbraw/zinc/22/23/71/1288222371.db2.gz CLPGXQVWHRUKOF-UHFFFAOYSA-N 1 0 333.453 2.992 20 10 EFCDRO COc1cc(Cl)cc(C[NH+]2CCC(OC(=O)N(C)C)CC2)c1O ZINC000816654325 1288229607 /nfs/dbraw/zinc/22/96/07/1288229607.db2.gz CMJJHCZMDWQVDW-UHFFFAOYSA-N 1 0 342.823 2.717 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1 ZINC000816667137 1288236445 /nfs/dbraw/zinc/23/64/45/1288236445.db2.gz DGBXQJRXRQJIPW-PMACEKPBSA-N 1 0 332.488 2.943 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCCC[C@@H]2OC)cc1C ZINC001177255460 1288353169 /nfs/dbraw/zinc/35/31/69/1288353169.db2.gz MIIZJXUOJBQPNM-MJGOQNOKSA-N 1 0 348.487 2.805 20 10 EFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](C)C[C@H](CO)C3)cc2)CC1 ZINC000817281669 1288501295 /nfs/dbraw/zinc/50/12/95/1288501295.db2.gz NPYRXURZDYHRHV-WMZOPIPTSA-N 1 0 332.488 2.752 20 10 EFCDRO COC1CCN(c2ccc(C[N@H+]3C[C@H](CO)C[C@H](C)C3)cc2)CC1 ZINC000817281665 1288501464 /nfs/dbraw/zinc/50/14/64/1288501464.db2.gz NPYRXURZDYHRHV-FUHWJXTLSA-N 1 0 332.488 2.752 20 10 EFCDRO COc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2CCCO2)cc1C ZINC001177850846 1288570750 /nfs/dbraw/zinc/57/07/50/1288570750.db2.gz QDWTZYKIPNOJQB-IBGZPJMESA-N 1 0 348.487 2.949 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3cccc(-n4ccnn4)c3)cc2)CC1 ZINC000817405561 1288586664 /nfs/dbraw/zinc/58/66/64/1288586664.db2.gz GZJZYRMNCHLDGE-UHFFFAOYSA-N 1 0 348.454 2.631 20 10 EFCDRO CCOc1ncccc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000817409078 1288589796 /nfs/dbraw/zinc/58/97/96/1288589796.db2.gz YMNYJXXTMKUICB-UHFFFAOYSA-N 1 0 326.444 2.844 20 10 EFCDRO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000817414694 1288593144 /nfs/dbraw/zinc/59/31/44/1288593144.db2.gz IPDZCMNBOQCLQT-SFHVURJKSA-N 1 0 340.423 2.682 20 10 EFCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000817415565 1288593233 /nfs/dbraw/zinc/59/32/33/1288593233.db2.gz VAAHJCUDPKYGAW-OAQYLSRUSA-N 1 0 349.478 2.960 20 10 EFCDRO COC1([C@@H](C)[NH2+]Cc2cc(Br)ccc2O)CCOCC1 ZINC000817420531 1288594652 /nfs/dbraw/zinc/59/46/52/1288594652.db2.gz UVLGKILWHDKAAW-LLVKDONJSA-N 1 0 344.249 2.828 20 10 EFCDRO COc1ccc(C[NH2+]CCCCCCNC(=O)c2ccn[nH]2)cc1C ZINC001177928002 1288602922 /nfs/dbraw/zinc/60/29/22/1288602922.db2.gz VRDGWGSEGRYCDU-UHFFFAOYSA-N 1 0 344.459 2.807 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)CCCc2cccnc2)cc1C ZINC001135945893 1288656321 /nfs/dbraw/zinc/65/63/21/1288656321.db2.gz WRAQOTRZSHNSDH-UHFFFAOYSA-N 1 0 341.455 2.627 20 10 EFCDRO CON1CCC([NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000817589577 1288666284 /nfs/dbraw/zinc/66/62/84/1288666284.db2.gz ZBVLBSHDYDBSOI-JTQLQIEISA-N 1 0 329.238 2.831 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)COCC3CC3)[C@H]2C)cc1C ZINC001178189175 1288696087 /nfs/dbraw/zinc/69/60/87/1288696087.db2.gz XOPNVGVSAMBBIV-YJBOKZPZSA-N 1 0 346.471 2.509 20 10 EFCDRO COCCCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001178320418 1288750688 /nfs/dbraw/zinc/75/06/88/1288750688.db2.gz UCMJILZZYSVJPT-WMZOPIPTSA-N 1 0 348.487 2.899 20 10 EFCDRO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1cc(F)ccc1O ZINC000822526419 1289008805 /nfs/dbraw/zinc/00/88/05/1289008805.db2.gz UIFJZGSEUZJQRU-UHFFFAOYSA-N 1 0 342.370 2.649 20 10 EFCDRO CC(C)(C)NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cc(O)ccc1O ZINC001277656588 1312689252 /nfs/dbraw/zinc/68/92/52/1312689252.db2.gz GLZCCENNZWKCAF-FCLUMBPUSA-N 1 0 332.444 2.517 20 10 EFCDRO CCC[N@@H+]1CC[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000823053504 1289189637 /nfs/dbraw/zinc/18/96/37/1289189637.db2.gz AOWDORSOGLXPRO-KRWDZBQOSA-N 1 0 344.503 2.911 20 10 EFCDRO CCC[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000823053505 1289189910 /nfs/dbraw/zinc/18/99/10/1289189910.db2.gz AOWDORSOGLXPRO-QGZVFWFLSA-N 1 0 344.503 2.911 20 10 EFCDRO [NH3+]C1(CC2CCC2)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC001179691234 1289220998 /nfs/dbraw/zinc/22/09/98/1289220998.db2.gz DNUUZDNYRJXRGG-FNORWQNLSA-N 1 0 330.428 2.621 20 10 EFCDRO COC1([C@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCOCC1 ZINC000903447722 1312692947 /nfs/dbraw/zinc/69/29/47/1312692947.db2.gz BQUFDUJHOXNKOY-LPHOPBHVSA-N 1 0 349.519 2.529 20 10 EFCDRO CCn1cc([C@@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000903447696 1312693233 /nfs/dbraw/zinc/69/32/33/1312693233.db2.gz BEZZYQATBUUXIW-BEFAXECRSA-N 1 0 329.492 2.923 20 10 EFCDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)[C@H]1c1ccccc1 ZINC001277660116 1312693202 /nfs/dbraw/zinc/69/32/02/1312693202.db2.gz PJWLMRYDYLMSJB-MJGOQNOKSA-N 1 0 340.423 2.749 20 10 EFCDRO Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903447706 1312693552 /nfs/dbraw/zinc/69/35/52/1312693552.db2.gz BMKFNWRACRCQRH-IFXJQAMLSA-N 1 0 329.492 2.748 20 10 EFCDRO C[C@@H]1C[C@@H](NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c2nccn21 ZINC000903447867 1312693687 /nfs/dbraw/zinc/69/36/87/1312693687.db2.gz DPFRXDUYPJYSRS-OLMNPRSZSA-N 1 0 327.476 2.847 20 10 EFCDRO CC(C)n1cc([C@H](C)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1 ZINC000903447921 1312693716 /nfs/dbraw/zinc/69/37/16/1312693716.db2.gz GBRPBTPPZJQVOX-HNAYVOBHSA-N 1 0 344.507 2.879 20 10 EFCDRO Cc1ncncc1[C@H](C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903447769 1312694086 /nfs/dbraw/zinc/69/40/86/1312694086.db2.gz CEWJQMADEKMNOR-LIRRHRJNSA-N 1 0 327.476 2.805 20 10 EFCDRO CC[N@H+](CCCC(=O)OC)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232402262 1312694187 /nfs/dbraw/zinc/69/41/87/1312694187.db2.gz JWTKHQMSUUHKFD-UHFFFAOYSA-N 1 0 346.427 2.740 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c2ccccc2n1C ZINC001232401912 1312694372 /nfs/dbraw/zinc/69/43/72/1312694372.db2.gz GTXOTUBWNKUAEK-DYVFJYSZSA-N 1 0 328.412 2.576 20 10 EFCDRO COC(=O)c1c(CN2CC[NH+](C3CCC3)CC2)c2ccccc2n1C ZINC001232402917 1312694648 /nfs/dbraw/zinc/69/46/48/1312694648.db2.gz SAGYKPHZYIHXSS-UHFFFAOYSA-N 1 0 341.455 2.635 20 10 EFCDRO CCCO[C@@H]1CC[N@H+](Cc2c3ccccc3n(C)c2C(=O)OC)C1 ZINC001232405126 1312694663 /nfs/dbraw/zinc/69/46/63/1312694663.db2.gz FYPKXGJOTRBTPL-CQSZACIVSA-N 1 0 330.428 2.966 20 10 EFCDRO CCCO[C@H]1CC[N@H+](Cc2c3ccccc3n(C)c2C(=O)OC)C1 ZINC001232405125 1312694738 /nfs/dbraw/zinc/69/47/38/1312694738.db2.gz FYPKXGJOTRBTPL-AWEZNQCLSA-N 1 0 330.428 2.966 20 10 EFCDRO COC(=O)c1c(CN(C)CCC[NH+]2CCCC2)c2ccccc2n1C ZINC001232405092 1312695041 /nfs/dbraw/zinc/69/50/41/1312695041.db2.gz FOLYCKSHPYOHCD-UHFFFAOYSA-N 1 0 343.471 2.883 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c2ccccc2n1C ZINC001232405597 1312695436 /nfs/dbraw/zinc/69/54/36/1312695436.db2.gz NOZKLQSLECORPI-MRXNPFEDSA-N 1 0 330.428 2.700 20 10 EFCDRO COC(=O)c1c(CN2CC[NH+](C(C)(C)C)CC2)c2ccccc2n1C ZINC001232407529 1312695795 /nfs/dbraw/zinc/69/57/95/1312695795.db2.gz QJSOWBLNVXOOCU-UHFFFAOYSA-N 1 0 343.471 2.881 20 10 EFCDRO COC(=O)c1c(C[N@H+]2CC[C@H](OC)C[C@@H]2C)c2ccccc2n1C ZINC001232409586 1312696342 /nfs/dbraw/zinc/69/63/42/1312696342.db2.gz FTVMZFSXSQYVCU-KBPBESRZSA-N 1 0 330.428 2.964 20 10 EFCDRO CC[N@H+](CC(=O)NC)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823399508 1289292415 /nfs/dbraw/zinc/29/24/15/1289292415.db2.gz HKSOHUSNVJFDPZ-UHFFFAOYSA-N 1 0 331.485 2.952 20 10 EFCDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](n3ccnn3)C2)c1O ZINC000823469207 1289312237 /nfs/dbraw/zinc/31/22/37/1289312237.db2.gz RGSJGGVDEMGNEE-CQSZACIVSA-N 1 0 334.807 2.677 20 10 EFCDRO Cc1cc(O)c(CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1Cl ZINC000825622833 1289351860 /nfs/dbraw/zinc/35/18/60/1289351860.db2.gz YPRWCPFIKVKJPP-ZDUSSCGKSA-N 1 0 326.868 2.631 20 10 EFCDRO CN(C)c1ccc(/C=C/C(=O)N2CCCc3ccc(C[NH3+])nc32)cc1 ZINC001180129903 1289412126 /nfs/dbraw/zinc/41/21/26/1289412126.db2.gz MEDAWRATEWMSNM-KPKJPENVSA-N 1 0 336.439 2.599 20 10 EFCDRO CCC[NH+]1C[C@H]2CN(C(=O)/C=C/c3ccc(N(C)C)cc3)C[C@@H]2C1 ZINC001180126198 1289427462 /nfs/dbraw/zinc/42/74/62/1289427462.db2.gz IVNRBBLVZXRVJZ-CEKAGXKUSA-N 1 0 327.472 2.566 20 10 EFCDRO CS(=O)(=O)c1cccc(C[NH2+]CCCSc2nccs2)c1 ZINC000823937830 1289495460 /nfs/dbraw/zinc/49/54/60/1289495460.db2.gz KYWZTHNOZNCMSS-UHFFFAOYSA-N 1 0 342.511 2.819 20 10 EFCDRO COc1ccc(CNCCC[NH+]2CCCC2)cc1Cn1cccn1 ZINC000873010088 1289516249 /nfs/dbraw/zinc/51/62/49/1289516249.db2.gz YYIKZXHEFACIHO-UHFFFAOYSA-N 1 0 328.460 2.516 20 10 EFCDRO COc1ccc(C[NH2+]CCCc2c[nH]nc2C)cc1Cn1cccn1 ZINC000873011354 1289517377 /nfs/dbraw/zinc/51/73/77/1289517377.db2.gz XGLKGGCTHAJFCF-UHFFFAOYSA-N 1 0 339.443 2.694 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)CN2CCCCC2)cc1Cn1cccn1 ZINC000873013274 1289519960 /nfs/dbraw/zinc/51/99/60/1289519960.db2.gz YZLGFJRMBFOVMB-KRWDZBQOSA-N 1 0 342.487 2.904 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccccc2CO)cc1Cn1cccn1 ZINC000873022055 1289526054 /nfs/dbraw/zinc/52/60/54/1289526054.db2.gz SEKPBDKEBYVUBC-UHFFFAOYSA-N 1 0 337.423 2.722 20 10 EFCDRO CCN(CC[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)C1CC1 ZINC000873036089 1289533261 /nfs/dbraw/zinc/53/32/61/1289533261.db2.gz SBSXYZJZZVHBJH-UHFFFAOYSA-N 1 0 328.460 2.514 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)c2cn(C)nc2C)cc1Cn1cccn1 ZINC000873043615 1289537273 /nfs/dbraw/zinc/53/72/73/1289537273.db2.gz PCUXOPASXNHQQR-AWEZNQCLSA-N 1 0 339.443 2.833 20 10 EFCDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873066410 1289549302 /nfs/dbraw/zinc/54/93/02/1289549302.db2.gz UZYBQXFJHCCCFZ-YJBOKZPZSA-N 1 0 331.460 2.827 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCO[C@H](C)C2)cc1Cn1cccn1 ZINC000873099314 1289567904 /nfs/dbraw/zinc/56/79/04/1289567904.db2.gz WJDHYCPDABUVSU-NVXWUHKLSA-N 1 0 329.444 2.845 20 10 EFCDRO COc1ccc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)cc1Cn1cccn1 ZINC000873103681 1289568535 /nfs/dbraw/zinc/56/85/35/1289568535.db2.gz GLSLATNWOOFXTH-PMACEKPBSA-N 1 0 341.455 2.987 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2OC)cc1Cn1cccn1 ZINC000873101087 1289569153 /nfs/dbraw/zinc/56/91/53/1289569153.db2.gz NXRVWXQGPPICBO-WMZOPIPTSA-N 1 0 329.444 2.845 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCCOC2)cc1Cn1cccn1 ZINC000873102690 1289569171 /nfs/dbraw/zinc/56/91/71/1289569171.db2.gz NNGOWHKOJIJSSV-NVXWUHKLSA-N 1 0 329.444 2.845 20 10 EFCDRO COc1ccc(C[NH2+]CCOCC2CCC2)cc1Cn1cccn1 ZINC000873106222 1289570921 /nfs/dbraw/zinc/57/09/21/1289570921.db2.gz GLEZVMNCXXVLSM-UHFFFAOYSA-N 1 0 329.444 2.846 20 10 EFCDRO COc1ccc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)cc1Cn1cccn1 ZINC000873103688 1289571059 /nfs/dbraw/zinc/57/10/59/1289571059.db2.gz GLSLATNWOOFXTH-WOJBJXKFSA-N 1 0 341.455 2.987 20 10 EFCDRO CCC(CC)(CCO)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873121224 1289578665 /nfs/dbraw/zinc/57/86/65/1289578665.db2.gz FSVFRVBIVZNTAW-UHFFFAOYSA-N 1 0 331.460 2.971 20 10 EFCDRO COCC1(C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CCC1 ZINC000873121799 1289579431 /nfs/dbraw/zinc/57/94/31/1289579431.db2.gz LVLSLCLJAUGQCC-UHFFFAOYSA-N 1 0 329.444 2.846 20 10 EFCDRO COc1ccc(C[NH2+]CC(C)(C)C(C)(C)O)cc1Cn1cccn1 ZINC000873129709 1289585870 /nfs/dbraw/zinc/58/58/70/1289585870.db2.gz RAZAYXOMCKEJLT-UHFFFAOYSA-N 1 0 331.460 2.827 20 10 EFCDRO CCCN(Cc1cccc(S(C)(=O)=O)c1)c1ccc(C[NH3+])cc1 ZINC000824291859 1289596335 /nfs/dbraw/zinc/59/63/35/1289596335.db2.gz IIMMRAOONKDVNA-UHFFFAOYSA-N 1 0 332.469 2.965 20 10 EFCDRO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(O)c(C(C)(C)C)c1 ZINC000825658718 1289602752 /nfs/dbraw/zinc/60/27/52/1289602752.db2.gz SGOUNMDZSCJTDN-MJEQTWJJSA-N 1 0 346.471 2.784 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CCn2ccc(C(F)(F)F)n2)cc1F ZINC000873158297 1289608845 /nfs/dbraw/zinc/60/88/45/1289608845.db2.gz VIIAVSVPVZYNOR-UHFFFAOYSA-N 1 0 330.329 2.897 20 10 EFCDRO Oc1ccc(C[N@@H+]2CC[C@@H](n3cc(Br)cn3)C2)c(O)c1 ZINC001204280743 1289622068 /nfs/dbraw/zinc/62/20/68/1289622068.db2.gz DHXSPSSIVOAOPT-GFCCVEGCSA-N 1 0 338.205 2.504 20 10 EFCDRO C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[N@@H+](C2CC2)C1 ZINC000824446464 1289653911 /nfs/dbraw/zinc/65/39/11/1289653911.db2.gz XIZFDNDXKCNFTH-MRXNPFEDSA-N 1 0 347.478 2.578 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]CC[C@@H](C)CCO)c1O ZINC000824514711 1289678930 /nfs/dbraw/zinc/67/89/30/1289678930.db2.gz BQBTWQYQAHPFAG-SNVBAGLBSA-N 1 0 332.238 2.662 20 10 EFCDRO CCC[N@H+](Cc1cc(Cl)c(C)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000824521403 1289682209 /nfs/dbraw/zinc/68/22/09/1289682209.db2.gz FGQBBXXWHWRODW-ZDUSSCGKSA-N 1 0 331.865 2.753 20 10 EFCDRO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000824571130 1289702895 /nfs/dbraw/zinc/70/28/95/1289702895.db2.gz KAZHCLBTYIDNAE-SFHVURJKSA-N 1 0 331.460 2.949 20 10 EFCDRO COc1ccc(N2CCC[N@H+](Cc3cnc4n3CCC4)CC2)cc1 ZINC000824606391 1289723298 /nfs/dbraw/zinc/72/32/98/1289723298.db2.gz RLMXUAPHFGMBAP-UHFFFAOYSA-N 1 0 326.444 2.550 20 10 EFCDRO Cc1cc(Br)cc(CN2CC[NH+](C(C)C)CC2)c1O ZINC000124527027 1289840221 /nfs/dbraw/zinc/84/02/21/1289840221.db2.gz XUEXDQXNLXMZMA-UHFFFAOYSA-N 1 0 327.266 2.989 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C)CSC)C2)cc1C ZINC001181674821 1289898025 /nfs/dbraw/zinc/89/80/25/1289898025.db2.gz SOBXWNBSZBTCPS-GDBMZVCRSA-N 1 0 336.501 2.693 20 10 EFCDRO COc1cc(CN2CC[S@@](=O)C[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000825698743 1290064280 /nfs/dbraw/zinc/06/42/80/1290064280.db2.gz RESPTVYAVVVYKX-ZAMGYDSWSA-N 1 0 339.501 2.899 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204349904 1290229065 /nfs/dbraw/zinc/22/90/65/1290229065.db2.gz YZGTYAQOTLXYEY-LBPRGKRZSA-N 1 0 337.416 2.660 20 10 EFCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)c3cnco3)CC2)cc1C ZINC001166443070 1312777020 /nfs/dbraw/zinc/77/70/20/1312777020.db2.gz MIGZWHOAPAXILY-UHFFFAOYSA-N 1 0 343.427 2.682 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)CCC[C@]1(O)C(F)(F)F ZINC001232833663 1312790640 /nfs/dbraw/zinc/79/06/40/1312790640.db2.gz CCYKCKHSWVESGA-MLGOLLRUSA-N 1 0 346.393 2.984 20 10 EFCDRO CCC[C@H]1CN(Cc2cccc(OCC)c2O)CC[N@@H+]1CCOC ZINC000091858346 1290554877 /nfs/dbraw/zinc/55/48/77/1290554877.db2.gz ZLMXICODXUYXAN-KRWDZBQOSA-N 1 0 336.476 2.724 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c(O)c1 ZINC001232834808 1312790866 /nfs/dbraw/zinc/79/08/66/1312790866.db2.gz NIFZNXDYFHUMJM-LJQANCHMSA-N 1 0 325.456 2.947 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(O)c1 ZINC001232835100 1312791152 /nfs/dbraw/zinc/79/11/52/1312791152.db2.gz VVLARRIAWUKDMU-UHFFFAOYSA-N 1 0 329.419 2.920 20 10 EFCDRO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232836366 1312791487 /nfs/dbraw/zinc/79/14/87/1312791487.db2.gz OHMJEVCOBNGNMM-UHFFFAOYSA-N 1 0 340.423 2.803 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)c(O)c1 ZINC001232836780 1312791898 /nfs/dbraw/zinc/79/18/98/1312791898.db2.gz TYTYLYLDPNJPPV-UHFFFAOYSA-N 1 0 325.456 2.776 20 10 EFCDRO CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(N(C)C)cc3O)CC[C@H]21 ZINC001232837273 1312791932 /nfs/dbraw/zinc/79/19/32/1312791932.db2.gz CSOGYWDTNSWVCK-MAUKXSAKSA-N 1 0 345.487 2.537 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232835788 1312791935 /nfs/dbraw/zinc/79/19/35/1312791935.db2.gz IGDBQFCANIJSKB-AWEZNQCLSA-N 1 0 335.448 2.557 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)CCN1C(=O)OC(C)(C)C ZINC001232835978 1312791955 /nfs/dbraw/zinc/79/19/55/1312791955.db2.gz JIHIVWCEJBSKTC-CQSZACIVSA-N 1 0 349.475 2.899 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c(O)c1 ZINC001232838649 1312792188 /nfs/dbraw/zinc/79/21/88/1312792188.db2.gz IELUULCVZVIAAH-QGZVFWFLSA-N 1 0 345.487 2.683 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001232838634 1312792471 /nfs/dbraw/zinc/79/24/71/1312792471.db2.gz HVRNVSZPLFAPCH-UYAOXDASSA-N 1 0 346.471 2.618 20 10 EFCDRO Cc1cc(O[C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3O)C2)ncn1 ZINC001232841305 1312792876 /nfs/dbraw/zinc/79/28/76/1312792876.db2.gz BOHWIDPABREDLU-QGZVFWFLSA-N 1 0 342.443 2.600 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232840336 1312793136 /nfs/dbraw/zinc/79/31/36/1312793136.db2.gz TVXYKZACQMPWNP-MRXNPFEDSA-N 1 0 349.475 2.899 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)C(C)(C)C)CC2)c(O)c1 ZINC001232841706 1312793314 /nfs/dbraw/zinc/79/33/14/1312793314.db2.gz OZOFLAPZYAZANB-UHFFFAOYSA-N 1 0 333.476 2.585 20 10 EFCDRO C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1C[NH2+]CCF ZINC001185771334 1290759381 /nfs/dbraw/zinc/75/93/81/1290759381.db2.gz KRSJATWURPGTJA-GXTWGEPZSA-N 1 0 349.410 2.506 20 10 EFCDRO COCC[N@H+](Cc1ccco1)Cc1ccc(N2CCOCC2)cc1 ZINC000092562000 1290788254 /nfs/dbraw/zinc/78/82/54/1290788254.db2.gz DLJLOMTXAIODBR-UHFFFAOYSA-N 1 0 330.428 2.765 20 10 EFCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](n4ccnc4)C3)cc2)CC1 ZINC000876679078 1290977273 /nfs/dbraw/zinc/97/72/73/1290977273.db2.gz BPLMKQNSPOSNMN-LJQANCHMSA-N 1 0 340.471 2.681 20 10 EFCDRO COC1CC[NH+](Cc2ccc(I)cc2O)CC1 ZINC001232974292 1312823498 /nfs/dbraw/zinc/82/34/98/1312823498.db2.gz KEPKIDDQPJERTB-UHFFFAOYSA-N 1 0 347.196 2.608 20 10 EFCDRO Cc1cc(O)c(C[NH2+]CC2(S(C)(=O)=O)CCCC2)cc1Cl ZINC000825893154 1290985049 /nfs/dbraw/zinc/98/50/49/1290985049.db2.gz QIPAKFOLCMZTCJ-UHFFFAOYSA-N 1 0 331.865 2.801 20 10 EFCDRO COc1cccc([C@H]([NH3+])C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000876728200 1290992553 /nfs/dbraw/zinc/99/25/53/1290992553.db2.gz IDJYICSAIDGBDX-IBGZPJMESA-N 1 0 339.439 2.612 20 10 EFCDRO CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000093102544 1290996366 /nfs/dbraw/zinc/99/63/66/1290996366.db2.gz DDUZHNJUYXWTEH-SFHVURJKSA-N 1 0 346.471 2.829 20 10 EFCDRO Cc1ccc(C[NH2+][C@H](CN2CCN(C)CC2)c2ccccc2)c(O)c1 ZINC000876875147 1291054646 /nfs/dbraw/zinc/05/46/46/1291054646.db2.gz QHXYQHUQFBGQAP-HXUWFJFHSA-N 1 0 339.483 2.779 20 10 EFCDRO Cn1cc(CCC[NH2+]Cc2ccc(N3CCSCC3)cc2)cn1 ZINC000876942735 1291080440 /nfs/dbraw/zinc/08/04/40/1291080440.db2.gz CXIDYKRNELRIOI-UHFFFAOYSA-N 1 0 330.501 2.696 20 10 EFCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)N1CCCCC1 ZINC000876957493 1291086463 /nfs/dbraw/zinc/08/64/63/1291086463.db2.gz XPRKEPAPHGNTGO-KRWDZBQOSA-N 1 0 331.504 2.612 20 10 EFCDRO COC(=O)c1csc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000876963700 1291087784 /nfs/dbraw/zinc/08/77/84/1291087784.db2.gz IIJWIJKPEMQEMT-UHFFFAOYSA-N 1 0 346.452 2.661 20 10 EFCDRO COc1ncc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000876987157 1291099353 /nfs/dbraw/zinc/09/93/53/1291099353.db2.gz QOLWFZAUGROGLX-CYBMUJFWSA-N 1 0 333.457 2.839 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H](C)C[C@@H]3CCCC(=O)N3)CC2)cc1 ZINC000876999878 1291103006 /nfs/dbraw/zinc/10/30/06/1291103006.db2.gz ZXNZUVZRGXGYTB-WBVHZDCISA-N 1 0 345.487 2.701 20 10 EFCDRO CCc1cc(N2CCC[C@H]([NH2+]Cc3c(C)cccc3O)C2)ncn1 ZINC000877009807 1291106819 /nfs/dbraw/zinc/10/68/19/1291106819.db2.gz AVJIVWWKKFHRCU-INIZCTEOSA-N 1 0 326.444 2.812 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNCc3ncc(C)o3)cc2F)CC1 ZINC000877011624 1291106878 /nfs/dbraw/zinc/10/68/78/1291106878.db2.gz FLINWDHYJAAPDI-UHFFFAOYSA-N 1 0 332.423 2.554 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)cc1[O-] ZINC000248523916 1291108458 /nfs/dbraw/zinc/10/84/58/1291108458.db2.gz STSZUSQLBFDANU-RDTXWAMCSA-N 1 0 344.430 2.949 20 10 EFCDRO Cc1cccc(O)c1C[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000877049888 1291116785 /nfs/dbraw/zinc/11/67/85/1291116785.db2.gz ICXOBJGCINYKLH-UHFFFAOYSA-N 1 0 330.403 2.966 20 10 EFCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000877050038 1291117219 /nfs/dbraw/zinc/11/72/19/1291117219.db2.gz XWDMZRJGROKOBY-MRXNPFEDSA-N 1 0 349.814 2.948 20 10 EFCDRO Cc1ccc(C[NH2+]CCNc2nccc(C(F)(F)F)n2)c(O)c1 ZINC000877054753 1291119622 /nfs/dbraw/zinc/11/96/22/1291119622.db2.gz KSXMXZQPUSOEPO-UHFFFAOYSA-N 1 0 326.322 2.711 20 10 EFCDRO CCOC(=O)COc1ccc(CC[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000877065756 1291123409 /nfs/dbraw/zinc/12/34/09/1291123409.db2.gz VHHLAHSGNIWUEC-UHFFFAOYSA-N 1 0 343.423 2.975 20 10 EFCDRO CCOC(=O)CC[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC001258480574 1291139747 /nfs/dbraw/zinc/13/97/47/1291139747.db2.gz CYEKBGQWWQVWQJ-JTQLQIEISA-N 1 0 330.222 2.976 20 10 EFCDRO CC(=O)OC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000093453704 1291144849 /nfs/dbraw/zinc/14/48/49/1291144849.db2.gz YBPYCPAYUQMODY-UHFFFAOYSA-N 1 0 328.206 2.682 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534199 1291166020 /nfs/dbraw/zinc/16/60/20/1291166020.db2.gz SBXQWSFEHFJRFL-HNNXBMFYSA-N 1 0 341.415 2.742 20 10 EFCDRO CC[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@@H](O)c1ccc(C)cc1 ZINC000093641169 1291183247 /nfs/dbraw/zinc/18/32/47/1291183247.db2.gz GFCOQIIQLGMDRU-QGZVFWFLSA-N 1 0 329.396 2.985 20 10 EFCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](Cc1ccccc1Cl)C(N)=O ZINC000877322139 1291191990 /nfs/dbraw/zinc/19/19/90/1291191990.db2.gz WZAOKUKCPVSFOC-CQSZACIVSA-N 1 0 332.831 2.788 20 10 EFCDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000877323109 1291192528 /nfs/dbraw/zinc/19/25/28/1291192528.db2.gz IMYBVHASFRGAIF-LSDHHAIUSA-N 1 0 345.443 2.617 20 10 EFCDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000795690625 1291204902 /nfs/dbraw/zinc/20/49/02/1291204902.db2.gz VXBGXVFEMJJWCO-HNNXBMFYSA-N 1 0 347.333 2.637 20 10 EFCDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000795693158 1291206307 /nfs/dbraw/zinc/20/63/07/1291206307.db2.gz RXICSMMBYHLCPL-YOEHRIQHSA-N 1 0 348.487 2.690 20 10 EFCDRO CCCN(Cc1cccc(NS(C)(=O)=O)c1)c1ccc(C[NH3+])cc1 ZINC000775140101 1291217865 /nfs/dbraw/zinc/21/78/65/1291217865.db2.gz IJBPCTIRTUFGTD-UHFFFAOYSA-N 1 0 347.484 2.933 20 10 EFCDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCO[C@H]1C1CC1 ZINC000877394831 1291221279 /nfs/dbraw/zinc/22/12/79/1291221279.db2.gz GYEAYATYZYABDP-SFTDATJTSA-N 1 0 344.499 2.943 20 10 EFCDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCO[C@@H]1C1CC1 ZINC000877394829 1291221360 /nfs/dbraw/zinc/22/13/60/1291221360.db2.gz GYEAYATYZYABDP-RTWAWAEBSA-N 1 0 344.499 2.943 20 10 EFCDRO COc1cc(Br)cc(C[N@H+](C)C[C@@H]2CCOC2)c1O ZINC000093839712 1291225825 /nfs/dbraw/zinc/22/58/25/1291225825.db2.gz PJZUJHRUHWESBQ-JTQLQIEISA-N 1 0 330.222 2.632 20 10 EFCDRO COc1cc(Br)cc(C[N@H+](C)C[C@H]2CCOC2)c1O ZINC000093839713 1291225967 /nfs/dbraw/zinc/22/59/67/1291225967.db2.gz PJZUJHRUHWESBQ-SNVBAGLBSA-N 1 0 330.222 2.632 20 10 EFCDRO CCOC1CC(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877468303 1291240736 /nfs/dbraw/zinc/24/07/36/1291240736.db2.gz FETYQSGGHVNRMB-UHFFFAOYSA-N 1 0 332.488 2.943 20 10 EFCDRO CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877486210 1291245204 /nfs/dbraw/zinc/24/52/04/1291245204.db2.gz KQJRMPYEAHWLNE-HXUWFJFHSA-N 1 0 345.531 2.858 20 10 EFCDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877486476 1291245416 /nfs/dbraw/zinc/24/54/16/1291245416.db2.gz NYFHRXZYXPBOBX-VQIMIIECSA-N 1 0 332.488 2.773 20 10 EFCDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877522848 1291258790 /nfs/dbraw/zinc/25/87/90/1291258790.db2.gz SGLNWMKOWANAOU-LAUBAEHRSA-N 1 0 343.515 2.706 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H](O)c1ccccc1 ZINC000877535169 1291265238 /nfs/dbraw/zinc/26/52/38/1291265238.db2.gz KBVMWZWUQBGFND-KKSFZXQISA-N 1 0 340.467 2.859 20 10 EFCDRO COc1ccc2c(c1)c1c(n2C)CCN(c2cc(N(C)C)ncn2)C1 ZINC001166818277 1312847428 /nfs/dbraw/zinc/84/74/28/1312847428.db2.gz BDSCVSOEQIIMBM-UHFFFAOYSA-N 1 0 337.427 2.606 20 10 EFCDRO O[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C12CCCC2 ZINC000877550463 1291272056 /nfs/dbraw/zinc/27/20/56/1291272056.db2.gz XLQMYCYQCHLEDE-IBGZPJMESA-N 1 0 330.472 2.527 20 10 EFCDRO O[C@H]1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877563760 1291276713 /nfs/dbraw/zinc/27/67/13/1291276713.db2.gz PGLXVIVAJAPGMB-NJYVYQBISA-N 1 0 344.499 2.773 20 10 EFCDRO Cc1ccc(C[N@H+](CCN2CCOCC2)Cc2ccco2)c(O)c1 ZINC000877576336 1291278201 /nfs/dbraw/zinc/27/82/01/1291278201.db2.gz KINHDBUBXLWRHO-UHFFFAOYSA-N 1 0 330.428 2.628 20 10 EFCDRO CO[C@](C)([C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000877588502 1291283963 /nfs/dbraw/zinc/28/39/63/1291283963.db2.gz RDQLHKDFHNUBJN-MGPUTAFESA-N 1 0 332.488 2.941 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCN4CCCC[C@@H]34)cc2)CC1 ZINC000877619454 1291293610 /nfs/dbraw/zinc/29/36/10/1291293610.db2.gz ZJULXFZKUWQJFB-RTWAWAEBSA-N 1 0 343.515 2.754 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(O)cc1C ZINC000795721269 1291309632 /nfs/dbraw/zinc/30/96/32/1291309632.db2.gz YPCBILQSYJURSM-HNNXBMFYSA-N 1 0 333.350 2.989 20 10 EFCDRO Cc1cccc(O)c1CNc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000877653096 1291310835 /nfs/dbraw/zinc/31/08/35/1291310835.db2.gz XWJLPKAYRFKEBC-UHFFFAOYSA-N 1 0 327.428 2.604 20 10 EFCDRO CC1([NH+]2CCCC2)CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000877674241 1291325452 /nfs/dbraw/zinc/32/54/52/1291325452.db2.gz OQBJZVDFEANYAA-UHFFFAOYSA-N 1 0 343.515 2.974 20 10 EFCDRO Cc1cc(Br)cc(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1O ZINC000877693868 1291333158 /nfs/dbraw/zinc/33/31/58/1291333158.db2.gz SVPMRYHUYSETSG-RDDDGLTNSA-N 1 0 342.155 2.864 20 10 EFCDRO COc1ccc(N2CC[NH+](Cc3ccccc3O)CC2)c(OC)c1 ZINC000877708339 1291337603 /nfs/dbraw/zinc/33/76/03/1291337603.db2.gz IXZJWULESWJOBT-UHFFFAOYSA-N 1 0 328.412 2.732 20 10 EFCDRO CCOc1ccc(O)c(C[NH+]2CCN(Cc3ccc(O)cc3)CC2)c1 ZINC000877707314 1291338633 /nfs/dbraw/zinc/33/86/33/1291338633.db2.gz PTDWWWHXQJZOTC-UHFFFAOYSA-N 1 0 342.439 2.814 20 10 EFCDRO OC[C@H](C[NH2+]Cc1cc(F)ccc1O)Cc1cc(F)c(F)c(F)c1 ZINC000775166823 1291388300 /nfs/dbraw/zinc/38/83/00/1291388300.db2.gz AXQHXWMHMSHVDP-NSHDSACASA-N 1 0 343.320 2.889 20 10 EFCDRO COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2cccc(C)c2O)c1 ZINC000877832914 1291400752 /nfs/dbraw/zinc/40/07/52/1291400752.db2.gz TVEAYKQOFIQQJU-DJJJIMSYSA-N 1 0 331.412 2.930 20 10 EFCDRO CN(C)c1cc(F)c([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1F ZINC000877842544 1291402983 /nfs/dbraw/zinc/40/29/83/1291402983.db2.gz ILAPRYALLQSOGF-HNNXBMFYSA-N 1 0 342.353 2.877 20 10 EFCDRO COC(=O)C[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC001233111712 1312856812 /nfs/dbraw/zinc/85/68/12/1312856812.db2.gz UTIYWNOMZSJKCR-LLVKDONJSA-N 1 0 342.233 2.848 20 10 EFCDRO CCCN(C(=O)NCc1ccc2c(c1)CCCN2C)[C@H]1CC[N@H+](C)C1 ZINC000826020990 1291481962 /nfs/dbraw/zinc/48/19/62/1291481962.db2.gz ZRRQVEHYTSJOOE-SFHVURJKSA-N 1 0 344.503 2.695 20 10 EFCDRO CN(CC(=O)OC(C)(C)C)Cc1cc(Br)ccc1O ZINC000126905130 1291495213 /nfs/dbraw/zinc/49/52/13/1291495213.db2.gz CQWXOGOEXCVIRG-UHFFFAOYSA-N 1 0 330.222 2.928 20 10 EFCDRO COC[C@@H]1CCC[N@@H+]1Cc1cc(Br)c(OC)cc1O ZINC001233134708 1312863019 /nfs/dbraw/zinc/86/30/19/1312863019.db2.gz CDZYFNYGXNYCTJ-NSHDSACASA-N 1 0 330.222 2.774 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2[C@@H](C)CC[C@H]2CO)cc1Br ZINC001233134690 1312863173 /nfs/dbraw/zinc/86/31/73/1312863173.db2.gz BNEXSBBIHNWMRV-ONGXEEELSA-N 1 0 330.222 2.509 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](O)CC2)cc1Br ZINC001233135305 1312863183 /nfs/dbraw/zinc/86/31/83/1312863183.db2.gz PRHVSHJVZIBWNX-LLVKDONJSA-N 1 0 330.222 2.510 20 10 EFCDRO CC[NH+](CC)CCN(C)Cc1cc(Br)c(OC)cc1O ZINC001233134647 1312863311 /nfs/dbraw/zinc/86/33/11/1312863311.db2.gz AGWUYTDZWIUAFH-UHFFFAOYSA-N 1 0 345.281 2.937 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCOC[C@H](C)C2)cc1Br ZINC001233135235 1312863478 /nfs/dbraw/zinc/86/34/78/1312863478.db2.gz PEEOHWKBMHYSPN-SNVBAGLBSA-N 1 0 330.222 2.632 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@](C)(O)[C@H](C)C2)cc1Br ZINC001233134863 1312863658 /nfs/dbraw/zinc/86/36/58/1312863658.db2.gz GJOCPHQJZSJIMQ-MEBBXXQBSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)cc1Br ZINC001233134851 1312863787 /nfs/dbraw/zinc/86/37/87/1312863787.db2.gz GFBOKRJZCSLGIP-ZWNOBZJWSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(O)c(CN2CCC[C@H](C(C)=O)C2)cc1Br ZINC001233140584 1312864782 /nfs/dbraw/zinc/86/47/82/1312864782.db2.gz NMXLVKSYWPNFRX-NSHDSACASA-N 1 0 342.233 2.964 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H]1CCCC[C@H]1C)cc2=O ZINC000249721256 1291671610 /nfs/dbraw/zinc/67/16/10/1291671610.db2.gz MJGLDTHDFROBQM-DOMZBBRYSA-N 1 0 346.431 2.622 20 10 EFCDRO CCC[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000127223916 1291726367 /nfs/dbraw/zinc/72/63/67/1291726367.db2.gz VRTOSCRBXFCDDU-IRXDYDNUSA-N 1 0 347.503 2.648 20 10 EFCDRO CCCc1noc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000775253396 1291726403 /nfs/dbraw/zinc/72/64/03/1291726403.db2.gz CBKISSBMBHQOLR-CQSZACIVSA-N 1 0 330.432 2.710 20 10 EFCDRO Oc1ccc2cc(Br)ccc2c1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001233194017 1312877365 /nfs/dbraw/zinc/87/73/65/1312877365.db2.gz JRQYJNKHFHAICH-DZGCQCFKSA-N 1 0 340.192 2.823 20 10 EFCDRO CN(CC1CCC2(CC1)OCCO2)c1ccc(OCC[NH+](C)C)cc1 ZINC000795958506 1291778256 /nfs/dbraw/zinc/77/82/56/1291778256.db2.gz PEKQETDZDAHFRQ-UHFFFAOYSA-N 1 0 348.487 2.997 20 10 EFCDRO CCN(C)c1ccc(C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1 ZINC000878870349 1291836217 /nfs/dbraw/zinc/83/62/17/1291836217.db2.gz ZFHJWHZVJCZTBO-OALUTQOASA-N 1 0 332.488 2.943 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCCC[C@@H]2CO)c2ccccc2n1C ZINC001233270268 1312889802 /nfs/dbraw/zinc/88/98/02/1312889802.db2.gz HIUFQJKFHFDWLQ-CQSZACIVSA-N 1 0 330.428 2.702 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@H]2COC)c2ccccc2n1C ZINC001233270265 1312889894 /nfs/dbraw/zinc/88/98/94/1312889894.db2.gz HGFQZXRYKILQTD-AWEZNQCLSA-N 1 0 330.428 2.966 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c2ccccc2n1C ZINC001233270994 1312890466 /nfs/dbraw/zinc/89/04/66/1312890466.db2.gz JBSQLJJQKDFYCI-KDOFPFPSSA-N 1 0 342.439 2.966 20 10 EFCDRO CCOC(=O)c1c(C[N@H+](C)CC2(C)COC2)c2ccccc2n1C ZINC001233272690 1312890845 /nfs/dbraw/zinc/89/08/45/1312890845.db2.gz WHFJOGJBYXRZPU-UHFFFAOYSA-N 1 0 330.428 2.823 20 10 EFCDRO CCOC(=O)c1c(CN2CCOC[C@H]2C2CC2)c2ccccc2n1C ZINC001233272810 1312891244 /nfs/dbraw/zinc/89/12/44/1312891244.db2.gz BUZLUMDWSPJPOD-SFHVURJKSA-N 1 0 342.439 2.966 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@@H](O)C[C@H]2C)c2ccccc2n1C ZINC001233272540 1312891382 /nfs/dbraw/zinc/89/13/82/1312891382.db2.gz PAMYJDRDEABXBM-ZIAGYGMSSA-N 1 0 330.428 2.700 20 10 EFCDRO CCOC(=O)[C@@H]1CN(Cc2cc(C(C)(C)C)ccc2O)CCC1=O ZINC001233284387 1312895276 /nfs/dbraw/zinc/89/52/76/1312895276.db2.gz SKVYRKFZHLALDB-OAHLLOKOSA-N 1 0 333.428 2.644 20 10 EFCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCN(c3ccncn3)CC2)c1 ZINC001233287041 1312895899 /nfs/dbraw/zinc/89/58/99/1312895899.db2.gz UFABHDBXTPUJQL-UHFFFAOYSA-N 1 0 326.444 2.802 20 10 EFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC001233290903 1312895971 /nfs/dbraw/zinc/89/59/71/1312895971.db2.gz CHZLGLCNDXMXHK-LLVKDONJSA-N 1 0 327.808 2.829 20 10 EFCDRO COCc1noc2c1CN(Cc1cc(Cl)cc(OC)c1O)CC2 ZINC001233288647 1312896050 /nfs/dbraw/zinc/89/60/50/1312896050.db2.gz RZUISESTCPQODG-UHFFFAOYSA-N 1 0 338.791 2.747 20 10 EFCDRO C[C@@H]1CN(C2C[NH+](Cc3cc(C(C)(C)C)ccc3O)C2)C[C@@H](C)O1 ZINC001233287571 1312896211 /nfs/dbraw/zinc/89/62/11/1312896211.db2.gz XNESHWVMUHBYJQ-HUUCEWRRSA-N 1 0 332.488 2.983 20 10 EFCDRO C[C@H]1CN(C2C[NH+](Cc3cc(C(C)(C)C)ccc3O)C2)C[C@H](C)O1 ZINC001233287570 1312896466 /nfs/dbraw/zinc/89/64/66/1312896466.db2.gz XNESHWVMUHBYJQ-GJZGRUSLSA-N 1 0 332.488 2.983 20 10 EFCDRO COc1cc(Cl)cc(C[N@H+](C)[C@H]2CCC3(C2)OCCO3)c1O ZINC001233290821 1312896634 /nfs/dbraw/zinc/89/66/34/1312896634.db2.gz YBZVZPUOFMEBHB-ZDUSSCGKSA-N 1 0 327.808 2.782 20 10 EFCDRO CCC(=O)N(C)C1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC001233291237 1312896946 /nfs/dbraw/zinc/89/69/46/1312896946.db2.gz ROVXXHFLCNTWHF-UHFFFAOYSA-N 1 0 340.851 2.887 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](Oc3ncc(C)cn3)C2)c1O ZINC001233291312 1312897156 /nfs/dbraw/zinc/89/71/56/1312897156.db2.gz VTRDPPDPINPDIP-AWEZNQCLSA-N 1 0 349.818 2.806 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](Oc3ncccn3)C2)c1O ZINC001233291378 1312897573 /nfs/dbraw/zinc/89/75/73/1312897573.db2.gz YDZRVNKBABOCEG-CQSZACIVSA-N 1 0 349.818 2.888 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](Oc3nccnc3C)C2)c1O ZINC001233291190 1312897653 /nfs/dbraw/zinc/89/76/53/1312897653.db2.gz PQNZWUWZSCCERI-AWEZNQCLSA-N 1 0 349.818 2.806 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc3c(c2)c(C)nn3C)c1 ZINC000775362794 1292035287 /nfs/dbraw/zinc/03/52/87/1292035287.db2.gz IWAWIXYBYCEQAA-NSHDSACASA-N 1 0 326.400 2.842 20 10 EFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C)[C@H]3CO)cc2)CC1 ZINC000879365631 1292089091 /nfs/dbraw/zinc/08/90/91/1292089091.db2.gz HMFFGRRJVUXUQH-OXQOHEQNSA-N 1 0 332.488 2.895 20 10 EFCDRO C[C@@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1ccccc1O ZINC000879406144 1292112052 /nfs/dbraw/zinc/11/20/52/1292112052.db2.gz GVNFIMLYRIEPTA-CYBMUJFWSA-N 1 0 343.431 2.738 20 10 EFCDRO CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879647816 1292217122 /nfs/dbraw/zinc/21/71/22/1292217122.db2.gz MJKWMDAFRYBJQG-LLVKDONJSA-N 1 0 348.424 2.920 20 10 EFCDRO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879648605 1292218135 /nfs/dbraw/zinc/21/81/35/1292218135.db2.gz VVXJFDQVISJPPF-CYBMUJFWSA-N 1 0 342.395 2.858 20 10 EFCDRO COc1cccc(COC[C@H](O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879648978 1292218640 /nfs/dbraw/zinc/21/86/40/1292218640.db2.gz IIQZGEKIVKCKRR-GDBMZVCRSA-N 1 0 331.412 2.629 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)NCCO[C@H]1CCCC[C@H]1C)c1ccccc1O ZINC000879648224 1292218680 /nfs/dbraw/zinc/21/86/80/1292218680.db2.gz FKRQIHGIXHAVRN-RKVPGOIHSA-N 1 0 334.460 2.754 20 10 EFCDRO COc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879650031 1292219464 /nfs/dbraw/zinc/21/94/64/1292219464.db2.gz YHPXNUQNLVIDCE-CQSZACIVSA-N 1 0 328.412 2.710 20 10 EFCDRO COc1cccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879649825 1292219478 /nfs/dbraw/zinc/21/94/78/1292219478.db2.gz VWHOSZZWXKRTLD-KGLIPLIRSA-N 1 0 328.412 2.756 20 10 EFCDRO COc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879650014 1292219532 /nfs/dbraw/zinc/21/95/32/1292219532.db2.gz XNMAJAWGZKKLLD-CQSZACIVSA-N 1 0 328.412 2.710 20 10 EFCDRO CC[C@H](C)C[NH+]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000957849858 1292298564 /nfs/dbraw/zinc/29/85/64/1292298564.db2.gz YJNJEKHUKNSOHR-ZDUSSCGKSA-N 1 0 331.420 2.653 20 10 EFCDRO CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1O ZINC000775415794 1292337727 /nfs/dbraw/zinc/33/77/27/1292337727.db2.gz QIKMCTFKUCLPJC-KRWDZBQOSA-N 1 0 348.468 2.883 20 10 EFCDRO COCCCC[NH+]1CCN(Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233419528 1312928638 /nfs/dbraw/zinc/92/86/38/1312928638.db2.gz BFBAOXKOIQQEMH-UHFFFAOYSA-N 1 0 346.393 2.955 20 10 EFCDRO CCC(=O)NC1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233454189 1312934951 /nfs/dbraw/zinc/93/49/51/1312934951.db2.gz KNXCJDDCZOPHEK-UHFFFAOYSA-N 1 0 330.350 2.902 20 10 EFCDRO Oc1cc(C(F)(F)F)ccc1C[NH+]1CCN(c2ccncn2)CC1 ZINC001233454851 1312935143 /nfs/dbraw/zinc/93/51/43/1312935143.db2.gz MMVHKOKHZUYUNM-UHFFFAOYSA-N 1 0 338.333 2.523 20 10 EFCDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3O)C[C@@H]21 ZINC001233454921 1312935335 /nfs/dbraw/zinc/93/53/35/1312935335.db2.gz OKAIWSCGVXACIB-IMRBUKKESA-N 1 0 329.318 2.652 20 10 EFCDRO CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455364 1312936409 /nfs/dbraw/zinc/93/64/09/1312936409.db2.gz HVEGAKQYYOXCOB-AWEZNQCLSA-N 1 0 330.350 2.854 20 10 EFCDRO CC(C)CCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000128556550 1292586530 /nfs/dbraw/zinc/58/65/30/1292586530.db2.gz ADHNXSPIHFXPCY-KRWDZBQOSA-N 1 0 347.503 2.506 20 10 EFCDRO CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000128557268 1292586667 /nfs/dbraw/zinc/58/66/67/1292586667.db2.gz YTUHNLZLRHNYNB-MRXNPFEDSA-N 1 0 347.503 2.648 20 10 EFCDRO CCCNC(=O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796255499 1292610332 /nfs/dbraw/zinc/61/03/32/1292610332.db2.gz DPVDBMFPNMSGTI-UHFFFAOYSA-N 1 0 337.467 2.865 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC3(CC(OCC4CC4)C3)CC2)cc1O ZINC001233484955 1312939508 /nfs/dbraw/zinc/93/95/08/1312939508.db2.gz DBXIAKVMDRKPHM-UHFFFAOYSA-N 1 0 333.428 2.975 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC(Sc3ccncc3)CC2)cc1O ZINC001233485582 1312940294 /nfs/dbraw/zinc/94/02/94/1312940294.db2.gz BUSXAFPLYYLPOB-UHFFFAOYSA-N 1 0 332.425 2.955 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1O ZINC001233485791 1312940306 /nfs/dbraw/zinc/94/03/06/1312940306.db2.gz KRNUCKIQNJHGTP-UHFFFAOYSA-N 1 0 346.402 2.650 20 10 EFCDRO CCCc1noc(C2CC[NH+](Cc3cc(O)c(O)cc3O)CC2)n1 ZINC001233486228 1312940749 /nfs/dbraw/zinc/94/07/49/1312940749.db2.gz DQBKOJBGEIMLOG-UHFFFAOYSA-N 1 0 333.388 2.519 20 10 EFCDRO CC[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccccc1O ZINC000775490816 1292702394 /nfs/dbraw/zinc/70/23/94/1292702394.db2.gz DOKMJYWSGCFSNI-KRWDZBQOSA-N 1 0 348.468 2.553 20 10 EFCDRO c1ccc(CN2CCc3cc(C[NH2+]C[C@H]4COCCO4)ccc32)cc1 ZINC000796270615 1292711878 /nfs/dbraw/zinc/71/18/78/1292711878.db2.gz JSIYIMWYJPPJKK-FQEVSTJZSA-N 1 0 338.451 2.754 20 10 EFCDRO CC(C)C(=O)N[C@@H]1COCCC12CC[NH+](Cc1ccccc1O)CC2 ZINC001203552350 1312954131 /nfs/dbraw/zinc/95/41/31/1312954131.db2.gz KVUWTKZJGFUBPB-GOSISDBHSA-N 1 0 346.471 2.536 20 10 EFCDRO O=C1[C@@H]2C[N@H+](Cc3ccccc3O)C[C@@H]2CN1Cc1cccc(F)c1 ZINC001203551818 1312954459 /nfs/dbraw/zinc/95/44/59/1312954459.db2.gz PBPWWKJDVRYMIS-SJLPKXTDSA-N 1 0 340.398 2.622 20 10 EFCDRO Oc1ccccc1C[N@H+]1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001203551352 1312954497 /nfs/dbraw/zinc/95/44/97/1312954497.db2.gz DQHLYICIBHGULL-MRXNPFEDSA-N 1 0 327.428 2.647 20 10 EFCDRO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3O)CC2)C1 ZINC001203551684 1312954531 /nfs/dbraw/zinc/95/45/31/1312954531.db2.gz KKDAHCKDTVJEIZ-QGZVFWFLSA-N 1 0 346.471 2.632 20 10 EFCDRO Oc1ccccc1C[NH+]1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001203556156 1312955755 /nfs/dbraw/zinc/95/57/55/1312955755.db2.gz LHISTXBYYVCTNE-UHFFFAOYSA-N 1 0 338.333 2.523 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001203556352 1312955814 /nfs/dbraw/zinc/95/58/14/1312955814.db2.gz NKMLNNLLDKPQNK-UHFFFAOYSA-N 1 0 332.407 2.845 20 10 EFCDRO COC(=O)[C@H]1C[N@H+](Cc2ccccc2O)C[C@@H]1c1ccc(F)cc1 ZINC001203560903 1312955994 /nfs/dbraw/zinc/95/59/94/1312955994.db2.gz KENPQRSINUBNJW-SJORKVTESA-N 1 0 329.371 2.920 20 10 EFCDRO NC(=O)c1ccc(O[C@H]2CCC[N@H+](Cc3ccccc3O)C2)cc1 ZINC001203563076 1312957278 /nfs/dbraw/zinc/95/72/78/1312957278.db2.gz UWUWSMBOHWASTQ-KRWDZBQOSA-N 1 0 326.396 2.535 20 10 EFCDRO NC(=O)c1ccc(O[C@@H]2CCC[N@H+](Cc3ccccc3O)C2)cc1 ZINC001203563079 1312957340 /nfs/dbraw/zinc/95/73/40/1312957340.db2.gz UWUWSMBOHWASTQ-QGZVFWFLSA-N 1 0 326.396 2.535 20 10 EFCDRO Cc1cc(Cn2cc(CSCC[NH3+])nn2)ccc1N1CCCCC1 ZINC000881378615 1292864508 /nfs/dbraw/zinc/86/45/08/1292864508.db2.gz FRVUUCSXTOCFNR-UHFFFAOYSA-N 1 0 345.516 2.817 20 10 EFCDRO COc1cccc(C[NH+]2CCC3(CCCN3C(=O)N(C)C)CC2)c1O ZINC001203591246 1312965472 /nfs/dbraw/zinc/96/54/72/1312965472.db2.gz FDCFHISRVMOYCP-UHFFFAOYSA-N 1 0 347.459 2.513 20 10 EFCDRO COc1cccc(C[N@@H+]2CCCn3cnc(COC(C)C)c3C2)c1O ZINC001203592006 1312965480 /nfs/dbraw/zinc/96/54/80/1312965480.db2.gz AGQQQDUTYMCFCI-UHFFFAOYSA-N 1 0 345.443 2.928 20 10 EFCDRO COc1cccc(C[NH+]2CCN(Cc3ccccc3F)CC2)c1O ZINC001203595472 1312966421 /nfs/dbraw/zinc/96/64/21/1312966421.db2.gz CIKHJCRNZGHAJB-UHFFFAOYSA-N 1 0 330.403 2.858 20 10 EFCDRO COc1ccc(CN2CC[NH+](Cc3cccc(OC)c3O)CC2)cc1 ZINC001203595834 1312966489 /nfs/dbraw/zinc/96/64/89/1312966489.db2.gz QLPZDAMHYZHELF-UHFFFAOYSA-N 1 0 342.439 2.727 20 10 EFCDRO COc1cccc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC001203601675 1312967286 /nfs/dbraw/zinc/96/72/86/1312967286.db2.gz GRDJBKNGIMEUQH-OCCSQVGLSA-N 1 0 336.432 2.888 20 10 EFCDRO COc1cccc(C[N@H+](C2CC2)C2CN(C(=O)OC(C)(C)C)C2)c1O ZINC001203600161 1312967405 /nfs/dbraw/zinc/96/74/05/1312967405.db2.gz ULNQIGWLZRCFQD-UHFFFAOYSA-N 1 0 348.443 2.985 20 10 EFCDRO COc1cc(OC2CC[NH+](Cc3cccc(OC)c3O)CC2)ccn1 ZINC001203601741 1312967460 /nfs/dbraw/zinc/96/74/60/1312967460.db2.gz JBBMLZSUZVGLKE-UHFFFAOYSA-N 1 0 344.411 2.848 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@@H](Oc3cc(C)ncn3)C2)c1O ZINC001203601709 1312967621 /nfs/dbraw/zinc/96/76/21/1312967621.db2.gz HRGKDLBLYNSOIX-OAHLLOKOSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1cccc(C[N@H+](C)[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1O ZINC001203601851 1312967629 /nfs/dbraw/zinc/96/76/29/1312967629.db2.gz NSVKRROABLUAQP-FOLVSLTJSA-N 1 0 348.443 2.698 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COC)C2)c1O ZINC001203608224 1312969627 /nfs/dbraw/zinc/96/96/27/1312969627.db2.gz LQWJVNBPYGAQJJ-PKOBYXMFSA-N 1 0 335.444 2.808 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@]3(C2)CCCCN3C(C)=O)c1O ZINC001203610131 1312970062 /nfs/dbraw/zinc/97/00/62/1312970062.db2.gz WNDLBVJEXYYMMD-IBGZPJMESA-N 1 0 332.444 2.768 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c1O ZINC001203608540 1312970486 /nfs/dbraw/zinc/97/04/86/1312970486.db2.gz STVFPEWCYVHPNG-ZWKOTPCHSA-N 1 0 327.424 2.969 20 10 EFCDRO CSCCCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851330 1293028339 /nfs/dbraw/zinc/02/83/39/1293028339.db2.gz RAZDIVSXDMFAIP-UHFFFAOYSA-N 1 0 335.517 2.588 20 10 EFCDRO CCCCSCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850940 1293028642 /nfs/dbraw/zinc/02/86/42/1293028642.db2.gz LBFDNVONKKUZBM-UHFFFAOYSA-N 1 0 349.544 2.978 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccoc3C3CC3)cc2)CC1 ZINC000881854272 1293030068 /nfs/dbraw/zinc/03/00/68/1293030068.db2.gz ZJAWJELZWRRCOP-UHFFFAOYSA-N 1 0 339.439 2.839 20 10 EFCDRO COc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)NC3CCC3)CC2)c1O ZINC001203594159 1312966030 /nfs/dbraw/zinc/96/60/30/1312966030.db2.gz TULMDMKQMNRAFY-INIZCTEOSA-N 1 0 344.455 2.672 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3CC4(CCC4)C3)cc2)CC1 ZINC000881853210 1293031525 /nfs/dbraw/zinc/03/15/25/1293031525.db2.gz NNKHPELBTGDLAL-UHFFFAOYSA-N 1 0 327.472 2.635 20 10 EFCDRO CCOc1cccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c1O ZINC001203615716 1312972047 /nfs/dbraw/zinc/97/20/47/1312972047.db2.gz YUEYXNVTUFSWKL-GJZGRUSLSA-N 1 0 348.443 2.842 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC(NC(=O)C(C)(C)C)CC2)c1O ZINC001203617700 1312972339 /nfs/dbraw/zinc/97/23/39/1312972339.db2.gz VETOMPDUKKGJKE-UHFFFAOYSA-N 1 0 334.460 2.918 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@H](Oc3cc(OC)ccn3)C2)c1O ZINC001203616915 1312972437 /nfs/dbraw/zinc/97/24/37/1312972437.db2.gz AGSDMHCHARKPGX-INIZCTEOSA-N 1 0 344.411 2.848 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](Oc3cc(C)ncn3)C2)c1O ZINC001203617915 1312972473 /nfs/dbraw/zinc/97/24/73/1312972473.db2.gz YCJUCMOAEADZGV-INIZCTEOSA-N 1 0 343.427 2.933 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3ncccc3OC)C2)c1O ZINC001203616940 1312972697 /nfs/dbraw/zinc/97/26/97/1312972697.db2.gz BGVMZDHOLREZEX-OAHLLOKOSA-N 1 0 344.411 2.848 20 10 EFCDRO COc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c(O)c1 ZINC001203621877 1312972943 /nfs/dbraw/zinc/97/29/43/1312972943.db2.gz JGLLKJZTFMYQCB-GDBMZVCRSA-N 1 0 348.443 2.842 20 10 EFCDRO COc1ccc(C[NH+]2CCN(c3noc4ccccc43)CC2)c(O)c1 ZINC001203621550 1312973184 /nfs/dbraw/zinc/97/31/84/1312973184.db2.gz XBMMVCVZVZXJSO-UHFFFAOYSA-N 1 0 339.395 2.864 20 10 EFCDRO COc1ccc(CC[N@@H+](Cc2ccc(OC)cc2O)C[C@@H](C)O)cc1 ZINC001203621285 1312973580 /nfs/dbraw/zinc/97/35/80/1312973580.db2.gz RHENOMAHDKJYOZ-OAHLLOKOSA-N 1 0 345.439 2.835 20 10 EFCDRO COc1ccc(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)c(O)c1 ZINC001203623241 1312973825 /nfs/dbraw/zinc/97/38/25/1312973825.db2.gz NQMDTHFPEXQGJO-GOSISDBHSA-N 1 0 347.455 2.951 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)c(O)c1 ZINC001203623431 1312974164 /nfs/dbraw/zinc/97/41/64/1312974164.db2.gz QJZKZZIJNWLANA-HXUWFJFHSA-N 1 0 344.455 2.625 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncc(C)cn3)C2)c(O)c1 ZINC001203635443 1312977351 /nfs/dbraw/zinc/97/73/51/1312977351.db2.gz VCHPUJIIFUHNAA-MRXNPFEDSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@H](Oc3cccc(OC)n3)C2)c(O)c1 ZINC001203635147 1312977535 /nfs/dbraw/zinc/97/75/35/1312977535.db2.gz LKWBJZKPRVMAPV-INIZCTEOSA-N 1 0 344.411 2.848 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@H](Oc3cc(C)ncn3)C2)c(O)c1 ZINC001203634997 1312977613 /nfs/dbraw/zinc/97/76/13/1312977613.db2.gz FOTGBSBSIJIJNH-INIZCTEOSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1ccc(C[NH+]2CCC3(CCN(CC4CC4)C3=O)CC2)c(O)c1 ZINC001203634894 1312977692 /nfs/dbraw/zinc/97/76/92/1312977692.db2.gz AEMJDUBPYVRNFU-UHFFFAOYSA-N 1 0 344.455 2.625 20 10 EFCDRO Oc1c(CN2CC[NH+](C3CCC3)CC2)cccc1OC(F)(F)F ZINC001233727132 1312978903 /nfs/dbraw/zinc/97/89/03/1312978903.db2.gz JBLQHXNCZKXMOK-UHFFFAOYSA-N 1 0 330.350 2.961 20 10 EFCDRO O=C1COC2(C1)CC[NH+](Cc1cccc(OC(F)(F)F)c1O)CC2 ZINC001233737135 1312981570 /nfs/dbraw/zinc/98/15/70/1312981570.db2.gz WUQZFOSKJZXGLO-UHFFFAOYSA-N 1 0 345.317 2.615 20 10 EFCDRO Oc1c(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)cccc1OC(F)(F)F ZINC001233737167 1312981645 /nfs/dbraw/zinc/98/16/45/1312981645.db2.gz YIIJQIFQGVABRB-KOLCDFICSA-N 1 0 339.260 2.757 20 10 EFCDRO Cc1noc(C[C@@H]2C[C@H]3C[N@H+](Cc4cc(Cl)ccc4O)C[C@H]3O2)n1 ZINC001203658729 1312982538 /nfs/dbraw/zinc/98/25/38/1312982538.db2.gz MZAPVHFXLWRSDI-DUVNUKRYSA-N 1 0 349.818 2.569 20 10 EFCDRO COc1cc(C)nc(O[C@@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC001203665597 1312984310 /nfs/dbraw/zinc/98/43/10/1312984310.db2.gz OQFGXGNAHLUFGV-CQSZACIVSA-N 1 0 349.818 2.806 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c1 ZINC001203670247 1312985165 /nfs/dbraw/zinc/98/51/65/1312985165.db2.gz LRBQPBVVCNTAOF-BBRMVZONSA-N 1 0 348.443 2.842 20 10 EFCDRO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(O)c(O)c2Cl)[C@H](C)C1 ZINC001193255310 1293215747 /nfs/dbraw/zinc/21/57/47/1293215747.db2.gz UIESCQMHGSSWEZ-ZYHUDNBSSA-N 1 0 326.824 2.600 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)c1 ZINC001203674757 1312987179 /nfs/dbraw/zinc/98/71/79/1312987179.db2.gz AKXWFZSBCXVVAX-QKDCVEJESA-N 1 0 344.455 2.528 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c1 ZINC001203671067 1312985990 /nfs/dbraw/zinc/98/59/90/1312985990.db2.gz IPTAEAPAQHYYFI-GDBMZVCRSA-N 1 0 348.443 2.842 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c1 ZINC001203670709 1312986010 /nfs/dbraw/zinc/98/60/10/1312986010.db2.gz XMDMXNWQUQAWNN-NHYWBVRUSA-N 1 0 333.350 2.926 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)c1 ZINC001203670707 1312986078 /nfs/dbraw/zinc/98/60/78/1312986078.db2.gz XMDMXNWQUQAWNN-ABAIWWIYSA-N 1 0 333.350 2.926 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)NC3CCC3)CC2)c1 ZINC001203672903 1312986753 /nfs/dbraw/zinc/98/67/53/1312986753.db2.gz IKAYDRPWJTXFPR-QGZVFWFLSA-N 1 0 344.455 2.672 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)c1 ZINC001203674825 1312987201 /nfs/dbraw/zinc/98/72/01/1312987201.db2.gz CUUXNNURPVVRSP-FQEVSTJZSA-N 1 0 338.407 2.521 20 10 EFCDRO Oc1c(C[N@@H+]2CCCC3(C2)OCCO3)cccc1OC(F)(F)F ZINC001233768488 1312987376 /nfs/dbraw/zinc/98/73/76/1312987376.db2.gz RZTDGWQBXNFATO-UHFFFAOYSA-N 1 0 333.306 2.630 20 10 EFCDRO Oc1c(C[N@H+]2CCc3nccn3CC2)cccc1OC(F)(F)F ZINC001233768194 1312987808 /nfs/dbraw/zinc/98/78/08/1312987808.db2.gz LZGAQFHDDOZRGQ-UHFFFAOYSA-N 1 0 327.306 2.546 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CC(CCNC(=O)OC(C)(C)C)C2)c1 ZINC001203677970 1312987846 /nfs/dbraw/zinc/98/78/46/1312987846.db2.gz CWTVSXNWMNBMNI-UHFFFAOYSA-N 1 0 336.432 2.747 20 10 EFCDRO CN1CCC[C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3O)C[C@@H]21 ZINC001233768392 1312987944 /nfs/dbraw/zinc/98/79/44/1312987944.db2.gz QDFDYKHQKUIVPV-YPMHNXCESA-N 1 0 330.350 2.817 20 10 EFCDRO COc1ccc(O)c(C[N@H+](Cc2cccnc2)C2CCOCC2)c1 ZINC001203678324 1312988129 /nfs/dbraw/zinc/98/81/29/1312988129.db2.gz KRAQFBIUALKWGX-UHFFFAOYSA-N 1 0 328.412 2.977 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(Oc3cccc(OC)n3)CC2)c1 ZINC001203681281 1312989166 /nfs/dbraw/zinc/98/91/66/1312989166.db2.gz SFLXHJJFBFGPHV-UHFFFAOYSA-N 1 0 344.411 2.848 20 10 EFCDRO Oc1c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)cccc1OC(F)(F)F ZINC001233776630 1312990575 /nfs/dbraw/zinc/99/05/75/1312990575.db2.gz WHXUVKCYJYBMHN-GFCCVEGCSA-N 1 0 342.321 2.719 20 10 EFCDRO CC(C)(O)C[NH+]1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000129950533 1293299046 /nfs/dbraw/zinc/29/90/46/1293299046.db2.gz IFSJXOMZSRSNMA-UHFFFAOYSA-N 1 0 331.504 2.565 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H]1CC(C)C)cc2=O ZINC000130237712 1293343043 /nfs/dbraw/zinc/34/30/43/1293343043.db2.gz PLRXTKQJVBFYLB-CQSZACIVSA-N 1 0 346.431 2.622 20 10 EFCDRO CCc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc(C)n1 ZINC000882880088 1293364844 /nfs/dbraw/zinc/36/48/44/1293364844.db2.gz BBOONURMUPTGRY-UHFFFAOYSA-N 1 0 325.460 2.711 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ccnc4ncccc34)cc2)CC1 ZINC000882879822 1293365279 /nfs/dbraw/zinc/36/52/79/1293365279.db2.gz OJAWMMPELCHXHL-UHFFFAOYSA-N 1 0 333.439 2.994 20 10 EFCDRO Cc1nc(Cl)cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000882880350 1293367149 /nfs/dbraw/zinc/36/71/49/1293367149.db2.gz NGXAEAQQZGCCMM-UHFFFAOYSA-N 1 0 331.851 2.802 20 10 EFCDRO C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc(F)cc(F)c2[O-])C[C@H](C)O1 ZINC000883015286 1293430760 /nfs/dbraw/zinc/43/07/60/1293430760.db2.gz OGQFEFAFIYJIEF-BETUJISGSA-N 1 0 328.403 2.649 20 10 EFCDRO CC(C)[C@H](O)C1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000883083506 1293453995 /nfs/dbraw/zinc/45/39/95/1293453995.db2.gz OLLVZQPPEZZYTC-IBGZPJMESA-N 1 0 332.488 2.534 20 10 EFCDRO [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@@H](CO)CCF ZINC000883158501 1293484961 /nfs/dbraw/zinc/48/49/61/1293484961.db2.gz IBEHSRCGMGKEMB-SECBINFHSA-N 1 0 326.593 2.618 20 10 EFCDRO CCn1nccc1C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000883182809 1293496843 /nfs/dbraw/zinc/49/68/43/1293496843.db2.gz LJUSQIMSWFPOLY-UHFFFAOYSA-N 1 0 328.185 2.800 20 10 EFCDRO C[C@@H](F)CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194367615 1293598993 /nfs/dbraw/zinc/59/89/93/1293598993.db2.gz JCEQHJJWUXBTNF-IUODEOHRSA-N 1 0 349.410 2.743 20 10 EFCDRO C[N@H+](C/C=C\Cl)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194374048 1293601901 /nfs/dbraw/zinc/60/19/01/1293601901.db2.gz BKPJNSXHTMVMOZ-RUBGMUFISA-N 1 0 349.822 2.748 20 10 EFCDRO N=c1ncc(C[NH3+])cn1C(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195278522 1293874155 /nfs/dbraw/zinc/87/41/55/1293874155.db2.gz KTWFNSOJBHNFEF-SMLNAYLFSA-N 1 0 348.366 2.631 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001203875321 1313038494 /nfs/dbraw/zinc/03/84/94/1313038494.db2.gz LKJXJSKVTCWAFI-KBPBESRZSA-N 1 0 334.416 2.682 20 10 EFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)[C@H]1c1ccccc1 ZINC001203877503 1313038938 /nfs/dbraw/zinc/03/89/38/1313038938.db2.gz HLVKLBREYCDEPN-QAPCUYQASA-N 1 0 327.380 2.834 20 10 EFCDRO O=C1Nc2ccccc2C2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)N1 ZINC001203879241 1313039659 /nfs/dbraw/zinc/03/96/59/1313039659.db2.gz HEEZEPPFEZXGDJ-UHFFFAOYSA-N 1 0 339.395 2.724 20 10 EFCDRO COc1cc(C[N@H+](C)Cc2ccc(O)c(O)c2)cc(OC)c1OC ZINC001203882943 1313040607 /nfs/dbraw/zinc/04/06/07/1313040607.db2.gz YCAODPNSBGQBLR-UHFFFAOYSA-N 1 0 333.384 2.756 20 10 EFCDRO CN(C(=O)c1ccccc1)C1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203883757 1313041252 /nfs/dbraw/zinc/04/12/52/1313041252.db2.gz NRNRWCULIKLTFZ-UHFFFAOYSA-N 1 0 340.423 2.834 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)cc1 ZINC001203931131 1313050146 /nfs/dbraw/zinc/05/01/46/1313050146.db2.gz NGYWEUUZGUFHIO-FVQHAEBGSA-N 1 0 331.460 2.708 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCN(CCOc3ccccc3)CC2)cc1 ZINC001203934704 1313050987 /nfs/dbraw/zinc/05/09/87/1313050987.db2.gz ZOHIDVPPRXEIGJ-UHFFFAOYSA-N 1 0 339.483 2.949 20 10 EFCDRO CN(C)c1ccc(CN2CCC([N@H+](C)C3CCOCC3)CC2)cc1 ZINC001203936490 1313051167 /nfs/dbraw/zinc/05/11/67/1313051167.db2.gz FXPFLGNKEUNLHE-UHFFFAOYSA-N 1 0 331.504 2.828 20 10 EFCDRO CCN(CC)c1ccc(CN2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)cc1 ZINC001203939678 1313051466 /nfs/dbraw/zinc/05/14/66/1313051466.db2.gz SQZCJYPKXROXGC-OYRHEFFESA-N 1 0 343.515 2.828 20 10 EFCDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(N(CC)CC)cc2)CC1 ZINC001203939021 1313051651 /nfs/dbraw/zinc/05/16/51/1313051651.db2.gz IVPWTPBRAMHVBF-SFHVURJKSA-N 1 0 346.471 2.877 20 10 EFCDRO Cc1cc(O[C@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)ncn1 ZINC001203937217 1313051741 /nfs/dbraw/zinc/05/17/41/1313051741.db2.gz OXUNMLYDOZJBCE-SFHVURJKSA-N 1 0 326.444 2.894 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH+](CCC(C)(C)O)CC2)cc1 ZINC001203943413 1313052315 /nfs/dbraw/zinc/05/23/15/1313052315.db2.gz AIUNXHFGFUDCCU-UHFFFAOYSA-N 1 0 333.520 2.811 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)cc1 ZINC001203946816 1313052498 /nfs/dbraw/zinc/05/24/98/1313052498.db2.gz XMXQRYRWMAMJOX-SFHVURJKSA-N 1 0 326.444 2.976 20 10 EFCDRO CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203932786 1313050845 /nfs/dbraw/zinc/05/08/45/1313050845.db2.gz CRLXUTVCMCPAIX-KRWDZBQOSA-N 1 0 328.460 2.618 20 10 EFCDRO CC[C@@H](F)C[NH2+]C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001203999263 1313062105 /nfs/dbraw/zinc/06/21/05/1313062105.db2.gz QYYFSAHOCRVRIP-CYBMUJFWSA-N 1 0 349.410 2.791 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000121467141 1294327815 /nfs/dbraw/zinc/32/78/15/1294327815.db2.gz IUJYIBRHCXNUPB-INMHGKMJSA-N 1 0 336.451 2.864 20 10 EFCDRO C[NH+](C)CCNS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197148653 1294467733 /nfs/dbraw/zinc/46/77/33/1294467733.db2.gz PBCPVEPPZPFFIT-VHEBQXMUSA-N 1 0 332.429 2.942 20 10 EFCDRO CN1CCCc2cc(C[NH2+][C@H]3CCOC4(CCOCC4)C3)ccc21 ZINC000885954186 1294585547 /nfs/dbraw/zinc/58/55/47/1294585547.db2.gz QBGQAPWXWSVYLH-SFHVURJKSA-N 1 0 330.472 2.887 20 10 EFCDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796375583 1294590525 /nfs/dbraw/zinc/59/05/25/1294590525.db2.gz LYDNKGXOAOAZRK-IERDGZPVSA-N 1 0 349.478 2.864 20 10 EFCDRO C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3c([O-])cccc3F)C2)C1 ZINC001276359950 1294653763 /nfs/dbraw/zinc/65/37/63/1294653763.db2.gz ODSKHLZLTPUWIZ-FQEVSTJZSA-N 1 0 349.494 2.771 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]C[C@](C)(O)C(C)C)c1O ZINC000304063067 1294657882 /nfs/dbraw/zinc/65/78/82/1294657882.db2.gz RHSARMWAVZYGEH-AWEZNQCLSA-N 1 0 332.238 2.660 20 10 EFCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000304105990 1294786669 /nfs/dbraw/zinc/78/66/69/1294786669.db2.gz JYSFXZYDDSJQGK-HXUWFJFHSA-N 1 0 326.440 2.521 20 10 EFCDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000104146724 1294816440 /nfs/dbraw/zinc/81/64/40/1294816440.db2.gz KDNFNKRNPKIQEO-SFHVURJKSA-N 1 0 347.528 2.730 20 10 EFCDRO CN(C)c1ccc(CN2CCOC[C@@H]2C[NH+](C)C)c2ccccc21 ZINC001204239663 1313106014 /nfs/dbraw/zinc/10/60/14/1313106014.db2.gz BSKNUAIWLVOMQJ-KRWDZBQOSA-N 1 0 327.472 2.668 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c2ccccc21 ZINC001204235045 1313106074 /nfs/dbraw/zinc/10/60/74/1313106074.db2.gz DVUSHRSDEBWEKH-FQEVSTJZSA-N 1 0 326.440 2.897 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(C)(C(N)=O)CC2)c2ccccc21 ZINC001204241828 1313106976 /nfs/dbraw/zinc/10/69/76/1313106976.db2.gz JIIHAIKFJZGSIV-UHFFFAOYSA-N 1 0 325.456 2.993 20 10 EFCDRO Cc1occc1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886324684 1294853280 /nfs/dbraw/zinc/85/32/80/1294853280.db2.gz CKPFHLPMBONLLY-UHFFFAOYSA-N 1 0 327.428 2.580 20 10 EFCDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(O)cc1O ZINC001204272533 1313112903 /nfs/dbraw/zinc/11/29/03/1313112903.db2.gz PQLLCKAJFNVKQZ-CYBMUJFWSA-N 1 0 336.432 2.929 20 10 EFCDRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(O)cc1O ZINC001204272534 1313113193 /nfs/dbraw/zinc/11/31/93/1313113193.db2.gz PQLLCKAJFNVKQZ-ZDUSSCGKSA-N 1 0 336.432 2.929 20 10 EFCDRO Oc1ccc(C[NH+]2CCC3(CCCN3c3ncccn3)CC2)c(O)c1 ZINC001204273522 1313113372 /nfs/dbraw/zinc/11/33/72/1313113372.db2.gz QXCOJPSMIKRSFM-UHFFFAOYSA-N 1 0 340.427 2.523 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[N@@H+]2Cc2ccc(O)cc2O)C1 ZINC001204276081 1313114333 /nfs/dbraw/zinc/11/43/33/1313114333.db2.gz GAOGKCSYYXTRFA-DZGCQCFKSA-N 1 0 334.416 2.539 20 10 EFCDRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204276972 1313114347 /nfs/dbraw/zinc/11/43/47/1313114347.db2.gz UTZYOHOSOMNDOI-UHFFFAOYSA-N 1 0 339.395 2.990 20 10 EFCDRO Oc1ccc(C[NH+]2CCC(Oc3cc(Cl)ncn3)CC2)c(O)c1 ZINC001204275846 1313114351 /nfs/dbraw/zinc/11/43/51/1313114351.db2.gz ZQSPEGPZGZAFPF-UHFFFAOYSA-N 1 0 335.791 2.585 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(O)cc3O)C[C@H]21 ZINC001204276114 1313114353 /nfs/dbraw/zinc/11/43/53/1313114353.db2.gz HBWAFIJMFWGBHW-CZUORRHYSA-N 1 0 348.443 2.929 20 10 EFCDRO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204276078 1313114460 /nfs/dbraw/zinc/11/44/60/1313114460.db2.gz FYCVFYATNDJSAJ-UHFFFAOYSA-N 1 0 348.443 2.931 20 10 EFCDRO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccc(O)cc2O)CC[C@H]1F ZINC001204278642 1313114781 /nfs/dbraw/zinc/11/47/81/1313114781.db2.gz GSIHWENIMQDHQK-KGLIPLIRSA-N 1 0 340.395 2.535 20 10 EFCDRO O=C1Nc2ccccc2CN1[C@H]1CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204277490 1313114893 /nfs/dbraw/zinc/11/48/93/1313114893.db2.gz FEEPVJONCUKBAS-HNNXBMFYSA-N 1 0 339.395 2.720 20 10 EFCDRO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204278245 1313114965 /nfs/dbraw/zinc/11/49/65/1313114965.db2.gz ZLEOYCAILGCYAO-IUODEOHRSA-N 1 0 336.432 2.975 20 10 EFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2O)C1)c1ccc(F)cc1 ZINC001204278049 1313115016 /nfs/dbraw/zinc/11/50/16/1313115016.db2.gz QUPXTTQVTUXDKS-MRXNPFEDSA-N 1 0 344.386 2.631 20 10 EFCDRO Oc1ccc(C[NH+]2CCC(c3noc(C(F)(F)F)n3)CC2)c(O)c1 ZINC001204278868 1313115185 /nfs/dbraw/zinc/11/51/85/1313115185.db2.gz KZBJKPJSYGJZHH-UHFFFAOYSA-N 1 0 343.305 2.879 20 10 EFCDRO COc1cccc(OC2CC[NH+](Cc3ccc(O)cc3O)CC2)n1 ZINC001204278114 1313115460 /nfs/dbraw/zinc/11/54/60/1313115460.db2.gz UFHITMDDTCKQKU-UHFFFAOYSA-N 1 0 330.384 2.545 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000775835413 1294966012 /nfs/dbraw/zinc/96/60/12/1294966012.db2.gz YJXUAHROFRKXJK-CQSZACIVSA-N 1 0 329.419 2.859 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccc(O)cc2O)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001204281075 1313116111 /nfs/dbraw/zinc/11/61/11/1313116111.db2.gz PMSPFRPFAQDCEX-STQMWFEESA-N 1 0 336.432 2.928 20 10 EFCDRO C[C@H]([NH2+]CC(=O)NCc1cc(F)cc(F)c1)c1ccc(N(C)C)cc1 ZINC000775836229 1294971182 /nfs/dbraw/zinc/97/11/82/1294971182.db2.gz LLCZTRUGFZTZFX-ZDUSSCGKSA-N 1 0 347.409 2.998 20 10 EFCDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204281130 1313116405 /nfs/dbraw/zinc/11/64/05/1313116405.db2.gz RESVLSSIPRTUIA-GXTWGEPZSA-N 1 0 336.432 2.833 20 10 EFCDRO CC[N@H+](Cc1ccc(O)cc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001204281870 1313116603 /nfs/dbraw/zinc/11/66/03/1313116603.db2.gz YJOWSHYWEHMKMU-CQSZACIVSA-N 1 0 336.432 2.929 20 10 EFCDRO CCC[C@@H](COC)[N@H+](CCC(=O)OCC)Cc1ccc(O)cc1O ZINC001204281862 1313116629 /nfs/dbraw/zinc/11/66/29/1313116629.db2.gz YAKPQMQRRHZXBS-HNNXBMFYSA-N 1 0 339.432 2.668 20 10 EFCDRO c1cc(N2CCCC2)ccc1CN1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001204322819 1313122590 /nfs/dbraw/zinc/12/25/90/1313122590.db2.gz NOWBLARLEHKXQA-OYRHEFFESA-N 1 0 341.499 2.582 20 10 EFCDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCS1 ZINC001204328567 1313123198 /nfs/dbraw/zinc/12/31/98/1313123198.db2.gz JPIKSKIZGSGVFC-QGZVFWFLSA-N 1 0 334.485 2.767 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c1O ZINC001204341579 1313125730 /nfs/dbraw/zinc/12/57/30/1313125730.db2.gz HDBQTXYGGFLUJI-ZWNOBZJWSA-N 1 0 342.233 2.774 20 10 EFCDRO CCO[C@@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC001204341997 1313125906 /nfs/dbraw/zinc/12/59/06/1313125906.db2.gz NHERISDKKLDZFT-GFCCVEGCSA-N 1 0 330.222 2.774 20 10 EFCDRO COc1cc(CN2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc(O)c1O ZINC001204342547 1313126324 /nfs/dbraw/zinc/12/63/24/1313126324.db2.gz NDWOFULQFCHAAY-MRXNPFEDSA-N 1 0 328.412 2.595 20 10 EFCDRO COc1cc(CN2CC[NH+]([C@H](C)c3ccccc3)CC2)cc(O)c1O ZINC001204344040 1313126366 /nfs/dbraw/zinc/12/63/66/1313126366.db2.gz CTSWUKVIGGNCIW-OAHLLOKOSA-N 1 0 342.439 2.985 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C(C)=O)C2)c1O ZINC001204343112 1313126420 /nfs/dbraw/zinc/12/64/20/1313126420.db2.gz YMDWSIGEOGEFEB-SNVBAGLBSA-N 1 0 328.206 2.574 20 10 EFCDRO COc1cc(C[N@H+](Cc2cccnc2)C2CCOCC2)cc(O)c1O ZINC001204345763 1313126735 /nfs/dbraw/zinc/12/67/35/1313126735.db2.gz WZMWSIGEDKNOCV-UHFFFAOYSA-N 1 0 344.411 2.683 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@@H]4C[C@H](CO)C[C@@H]43)c2c1 ZINC001234526370 1313145746 /nfs/dbraw/zinc/14/57/46/1313145746.db2.gz UWQDRVBKNGTNEC-ORPRQENYSA-N 1 0 343.423 2.526 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+](C)CCN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000775930764 1295414502 /nfs/dbraw/zinc/41/45/02/1295414502.db2.gz SMNZUEOFJPDYJR-BGYRXZFFSA-N 1 0 331.504 2.828 20 10 EFCDRO C[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)Cc1ccc(N2CCCCC2)cc1 ZINC000775930826 1295415404 /nfs/dbraw/zinc/41/54/04/1295415404.db2.gz URIWOGAPEONADS-OYRHEFFESA-N 1 0 343.515 2.972 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H]3C(=O)N(C)C)c2c1 ZINC001234562119 1313158683 /nfs/dbraw/zinc/15/86/83/1313158683.db2.gz HMZRDPGBIVFLJF-KRWDZBQOSA-N 1 0 328.412 2.607 20 10 EFCDRO CS[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H]1[NH+](C)C ZINC000776001398 1295648198 /nfs/dbraw/zinc/64/81/98/1295648198.db2.gz PBJAPUOREJLUTG-LSDHHAIUSA-N 1 0 342.892 2.726 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000105272881 1295735071 /nfs/dbraw/zinc/73/50/71/1295735071.db2.gz WTBKJKWRLMQMRY-LSDHHAIUSA-N 1 0 349.475 2.881 20 10 EFCDRO CC[NH+]1CCN(c2ccc(O[C@H]3CC[C@H](C(=O)OC)CC3)cc2)CC1 ZINC001234657191 1313178888 /nfs/dbraw/zinc/17/88/88/1313178888.db2.gz CKUSKSNKVWMGRZ-SAABIXHNSA-N 1 0 346.471 2.939 20 10 EFCDRO CCOC(=O)[C@@H]1CCC[C@@H]1Oc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001234658014 1313179157 /nfs/dbraw/zinc/17/91/57/1313179157.db2.gz QWCYYBBDVRZNJV-MOPGFXCFSA-N 1 0 346.471 2.939 20 10 EFCDRO CCOC(=O)[C@H]1CCC[C@H]1Oc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001234658016 1313179243 /nfs/dbraw/zinc/17/92/43/1313179243.db2.gz QWCYYBBDVRZNJV-RBUKOAKNSA-N 1 0 346.471 2.939 20 10 EFCDRO CCOC(=O)[C@@H](Oc1ccc(N2CC[NH+](CC)CC2)cc1)C1CC1 ZINC001234660535 1313179296 /nfs/dbraw/zinc/17/92/96/1313179296.db2.gz IZQBOYLVWJBAJL-SFHVURJKSA-N 1 0 332.444 2.549 20 10 EFCDRO CC[NH+]1CCN(c2ccc(O[C@H]3CCCC4(C3)OCCO4)cc2)CC1 ZINC001234661021 1313179893 /nfs/dbraw/zinc/17/98/93/1313179893.db2.gz OMXHZSBUSZPKOT-IBGZPJMESA-N 1 0 346.471 2.893 20 10 EFCDRO CC[NH+]1CCN(c2ccc(O[C@@H]3COc4cnccc43)cc2)CC1 ZINC001234661530 1313180034 /nfs/dbraw/zinc/18/00/34/1313180034.db2.gz ULVYZYINVDDQRD-LJQANCHMSA-N 1 0 325.412 2.736 20 10 EFCDRO COc1ccc(N2CCN(C(=O)C[NH2+]C(C(C)C)C(C)C)CC2)cc1 ZINC000776027864 1295797008 /nfs/dbraw/zinc/79/70/08/1295797008.db2.gz IQXJGTANJVPKAA-UHFFFAOYSA-N 1 0 347.503 2.614 20 10 EFCDRO COc1ccc(C[NH2+]CC2CCN(C(=O)C[C@@H](C)OC)CC2)cc1C ZINC001204742031 1313187843 /nfs/dbraw/zinc/18/78/43/1313187843.db2.gz MOLOJSCXNIQANB-MRXNPFEDSA-N 1 0 348.487 2.757 20 10 EFCDRO CCCCN1C(=O)C[C@@]2(CCC[N@H+](Cc3c(C)cccc3O)C2)C1=O ZINC001274301566 1296056283 /nfs/dbraw/zinc/05/62/83/1296056283.db2.gz QVHLBFATTVZPCQ-HXUWFJFHSA-N 1 0 344.455 2.842 20 10 EFCDRO CN(C1C[NH+](Cc2cccc(-c3ccccc3)c2O)C1)[C@@H]1CCOC1 ZINC001234997152 1313219112 /nfs/dbraw/zinc/21/91/12/1313219112.db2.gz UXCGQRPGXUEOFJ-GOSISDBHSA-N 1 0 338.451 2.964 20 10 EFCDRO C[NH+](C)C[C@H]1COCCN1Cc1cccc(-c2ccccc2)c1O ZINC001234999267 1313219888 /nfs/dbraw/zinc/21/98/88/1313219888.db2.gz QWWAJTMPPZMHOD-SFHVURJKSA-N 1 0 326.440 2.822 20 10 EFCDRO COCCN1CC[NH+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001235000429 1313220092 /nfs/dbraw/zinc/22/00/92/1313220092.db2.gz IIBYLQKNCIOHEB-UHFFFAOYSA-N 1 0 326.440 2.823 20 10 EFCDRO OC1CCN(c2ccc(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2F)CC1 ZINC000305358485 1296163551 /nfs/dbraw/zinc/16/35/51/1296163551.db2.gz SMIFMJDVPFFWEK-SJORKVTESA-N 1 0 347.478 2.503 20 10 EFCDRO CC(C)(C)c1cccc(CN2CCOC[C@@]3(CCC[NH2+]C3)C2)c1O ZINC001235009146 1313223225 /nfs/dbraw/zinc/22/32/25/1313223225.db2.gz SYFUULJYSMICNH-HXUWFJFHSA-N 1 0 332.488 2.892 20 10 EFCDRO Cc1cc(O)c(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1Br ZINC001235021861 1313225952 /nfs/dbraw/zinc/22/59/52/1313225952.db2.gz QMSSXGXTJIENSW-SMDDNHRTSA-N 1 0 325.250 2.647 20 10 EFCDRO Cc1ncsc1CN1CCC2(C[NH+](Cc3ccccc3O)C2)C1 ZINC001275267571 1296246240 /nfs/dbraw/zinc/24/62/40/1296246240.db2.gz RGTQYPRDLLJQPW-UHFFFAOYSA-N 1 0 329.469 2.865 20 10 EFCDRO CC1=CCC=C[C@H]1C(=O)N1CCC2(C[NH+](Cc3ccccc3O)C2)C1 ZINC001275267246 1296246546 /nfs/dbraw/zinc/24/65/46/1296246546.db2.gz ZZEMSSIGQAVMHG-GOSISDBHSA-N 1 0 338.451 2.949 20 10 EFCDRO CC(C)NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1O)C2 ZINC001275267445 1296246565 /nfs/dbraw/zinc/24/65/65/1296246565.db2.gz OREMNFPHPAZWSP-IBGZPJMESA-N 1 0 331.460 2.798 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCC[C@]2(CCCN(Cc3cn[nH]c3)C2)C1 ZINC001275267191 1296247127 /nfs/dbraw/zinc/24/71/27/1296247127.db2.gz KWCPPUIGURZURL-FQEVSTJZSA-N 1 0 340.471 2.994 20 10 EFCDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc(Br)cc(F)c3[O-])C[C@@H]21 ZINC001235066575 1313234365 /nfs/dbraw/zinc/23/43/65/1313234365.db2.gz KXKRWSIHWCIQDX-HZMBPMFUSA-N 1 0 343.240 2.820 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[C@]23CC[NH2+]C3)c2ccccc2n1C ZINC001235111615 1313244281 /nfs/dbraw/zinc/24/42/81/1313244281.db2.gz RXEYXUPLDZGUAQ-HXUWFJFHSA-N 1 0 341.455 2.683 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[C@@]23CC[NH2+]C3)c2ccccc2n1C ZINC001235111614 1313244420 /nfs/dbraw/zinc/24/44/20/1313244420.db2.gz RXEYXUPLDZGUAQ-FQEVSTJZSA-N 1 0 341.455 2.683 20 10 EFCDRO CC[N@H+](Cc1ccccc1O)Cc1ccccc1NS(C)(=O)=O ZINC001235141034 1313251804 /nfs/dbraw/zinc/25/18/04/1313251804.db2.gz QOPMGCPAUVQTLV-UHFFFAOYSA-N 1 0 334.441 2.786 20 10 EFCDRO Cc1ccc(C)c(C[NH+]2CC3(CCN3Cc3cccc(=O)[nH]3)C2)c1O ZINC001275968918 1296464555 /nfs/dbraw/zinc/46/45/55/1296464555.db2.gz SIVSDPLIPHYADV-UHFFFAOYSA-N 1 0 339.439 2.570 20 10 EFCDRO COc1cc(O)c(CN2CCC[C@@](C)([NH3+])CC2)c(Br)c1 ZINC001205288127 1313265261 /nfs/dbraw/zinc/26/52/61/1313265261.db2.gz GNDCSDPAXQBCNJ-OAHLLOKOSA-N 1 0 343.265 2.867 20 10 EFCDRO CC(C)(C)c1cc(O)c(CN2CCO[C@H]3CC[NH2+]C[C@@H]32)cc1Cl ZINC001235213566 1313266418 /nfs/dbraw/zinc/26/64/18/1313266418.db2.gz NUSFSUFRCUTGPB-RDJZCZTQSA-N 1 0 338.879 2.906 20 10 EFCDRO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cc(F)cc(Br)c1[O-] ZINC001235301071 1313285283 /nfs/dbraw/zinc/28/52/83/1313285283.db2.gz CJZFNNGJIHYQDG-HZMBPMFUSA-N 1 0 343.240 2.820 20 10 EFCDRO C[N@@H+]1C[C@@H]2CCCN(Cc3cc(F)cc(Br)c3[O-])[C@@H]2C1 ZINC001235301072 1313285488 /nfs/dbraw/zinc/28/54/88/1313285488.db2.gz CJZFNNGJIHYQDG-IINYFYTJSA-N 1 0 343.240 2.820 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(-n4ccnc4)nc3)cc2)CC1 ZINC000777512455 1296757903 /nfs/dbraw/zinc/75/79/03/1296757903.db2.gz DUHQAYIXHGZEMC-UHFFFAOYSA-N 1 0 348.454 2.631 20 10 EFCDRO COc1ccc(N2CC[NH+](CCCN[C@H](C)c3ncco3)CC2)cc1 ZINC000924578909 1296774307 /nfs/dbraw/zinc/77/43/07/1296774307.db2.gz FBMJBALZRGLDRZ-MRXNPFEDSA-N 1 0 344.459 2.546 20 10 EFCDRO COc1ccc(N2CC[NH+](CCCN[C@@H](C)c3ncco3)CC2)cc1 ZINC000924578908 1296775239 /nfs/dbraw/zinc/77/52/39/1296775239.db2.gz FBMJBALZRGLDRZ-INIZCTEOSA-N 1 0 344.459 2.546 20 10 EFCDRO COc1ccc(O)c(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)c1 ZINC000776174292 1296809060 /nfs/dbraw/zinc/80/90/60/1296809060.db2.gz LRVOIOIQIMZTBB-UHFFFAOYSA-N 1 0 344.411 2.643 20 10 EFCDRO [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001205578603 1313316696 /nfs/dbraw/zinc/31/66/96/1313316696.db2.gz GREDRCGWOHTUDD-CQSZACIVSA-N 1 0 349.219 2.947 20 10 EFCDRO C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1cc[nH]c(=O)c1 ZINC000926558325 1296935040 /nfs/dbraw/zinc/93/50/40/1296935040.db2.gz DKVLUHJVTBYNRL-LBPRGKRZSA-N 1 0 349.381 2.753 20 10 EFCDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001235456129 1313327173 /nfs/dbraw/zinc/32/71/73/1313327173.db2.gz JHPVPZVZLBPVSA-SFHVURJKSA-N 1 0 329.488 2.521 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@H](C)[C@H]2CCOC2)c1O ZINC000776219385 1297130828 /nfs/dbraw/zinc/13/08/28/1297130828.db2.gz OLJHMLICCNTEEU-ZJUUUORDSA-N 1 0 330.222 2.678 20 10 EFCDRO C[C@@H](NC(=O)N1CCC(C[NH+](C)C)CC1)c1ccc(N(C)C)cc1 ZINC000776243516 1297222121 /nfs/dbraw/zinc/22/21/21/1297222121.db2.gz CVAQLNRODXMGBU-OAHLLOKOSA-N 1 0 332.492 2.797 20 10 EFCDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776238379 1297225479 /nfs/dbraw/zinc/22/54/79/1297225479.db2.gz NMIFBFNXMKTROC-CRAIPNDOSA-N 1 0 332.492 2.795 20 10 EFCDRO C[C@@H](NC(=O)NCC1(C)CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000776238181 1297226076 /nfs/dbraw/zinc/22/60/76/1297226076.db2.gz LMDGXPFHXSPYDO-OAHLLOKOSA-N 1 0 332.492 2.845 20 10 EFCDRO CC1(C)C=Cc2c(O)c(CN3CCC(F)(F)[C@@H](C[NH3+])C3)ccc2O1 ZINC001205795534 1313357691 /nfs/dbraw/zinc/35/76/91/1313357691.db2.gz HWOBIRIVSRVYFH-ZDUSSCGKSA-N 1 0 338.398 2.992 20 10 EFCDRO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000776242755 1297241722 /nfs/dbraw/zinc/24/17/22/1297241722.db2.gz AGHUVXPHGARHJG-QAPCUYQASA-N 1 0 330.476 2.693 20 10 EFCDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001205840919 1313364411 /nfs/dbraw/zinc/36/44/11/1313364411.db2.gz ITYCEDWZVQQAOL-GDBMZVCRSA-N 1 0 337.895 2.736 20 10 EFCDRO COc1cc(O)c(CN2C[C@H](C)CC[C@H]2C[NH3+])c(Br)c1 ZINC001205855802 1313366803 /nfs/dbraw/zinc/36/68/03/1313366803.db2.gz PIPPGQXOQBIFCK-MNOVXSKESA-N 1 0 343.265 2.723 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCCCC3)cc2F)CC1 ZINC000106506597 1297294514 /nfs/dbraw/zinc/29/45/14/1297294514.db2.gz MNKKLFJCRBJKNZ-UHFFFAOYSA-N 1 0 348.466 2.663 20 10 EFCDRO Cc1ccc(O[C@H]2C[C@H]3CN(Cc4ccc(N)cc4)CC[N@@H+]3C2)cc1 ZINC001235661554 1313368580 /nfs/dbraw/zinc/36/85/80/1313368580.db2.gz ONOMPSRUZGJOEU-FPOVZHCZSA-N 1 0 337.467 2.915 20 10 EFCDRO Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4ccc(N)cc4)CC[N@@H+]3C2)cc1 ZINC001235661556 1313368713 /nfs/dbraw/zinc/36/87/13/1313368713.db2.gz ONOMPSRUZGJOEU-PZJWPPBQSA-N 1 0 337.467 2.915 20 10 EFCDRO CC(C)(C)c1ccc(C[NH+]2CCC(N3CCOCC3)CC2)c(O)c1 ZINC001235673866 1313372773 /nfs/dbraw/zinc/37/27/73/1313372773.db2.gz AQYRJLOXVSJUBW-UHFFFAOYSA-N 1 0 332.488 2.986 20 10 EFCDRO CC(C)(C)c1ccc(C[NH+]2CCN(c3ccncn3)CC2)c(O)c1 ZINC001235681189 1313372978 /nfs/dbraw/zinc/37/29/78/1313372978.db2.gz ZDIGUVFAFGMMKH-UHFFFAOYSA-N 1 0 326.444 2.802 20 10 EFCDRO COC[C@H]1c2nnn(C)c2CCN1Cc1ccc(C(C)(C)C)cc1O ZINC001235681842 1313373277 /nfs/dbraw/zinc/37/32/77/1313373277.db2.gz LNAVZHKJTCKOSB-INIZCTEOSA-N 1 0 344.459 2.564 20 10 EFCDRO COC(=O)CC[C@@H]1COCCN1Cc1ccc(C(C)(C)C)cc1O ZINC001235678223 1313373397 /nfs/dbraw/zinc/37/33/97/1313373397.db2.gz AKZLVHUYWDENTG-MRXNPFEDSA-N 1 0 335.444 2.844 20 10 EFCDRO CCN1CCO[C@@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3O)C[C@@H]2C1 ZINC001235678848 1313373709 /nfs/dbraw/zinc/37/37/09/1313373709.db2.gz MFYQNFZEZUERIY-QFBILLFUSA-N 1 0 332.488 2.842 20 10 EFCDRO CN1CCOc2cc(CN3CC[NH2+]C[C@@H]3c3ccccc3F)ccc21 ZINC001235735519 1313384905 /nfs/dbraw/zinc/38/49/05/1313384905.db2.gz HKXQUZRPRRDPLF-LJQANCHMSA-N 1 0 341.430 2.801 20 10 EFCDRO CCOC(=O)c1c(CN2CC[NH2+]C[C@@H]2CC)c2ccccc2n1C ZINC001235774689 1313391426 /nfs/dbraw/zinc/39/14/26/1313391426.db2.gz SRGWZVOOXLGVOD-AWEZNQCLSA-N 1 0 329.444 2.539 20 10 EFCDRO CCCCN(CCCC)c1ccc(CN2CC[C@@H](O)[C@H]([NH3+])C2)c(O)c1 ZINC001206101842 1313404867 /nfs/dbraw/zinc/40/48/67/1313404867.db2.gz ARQPMDLAMVZSKI-RTBURBONSA-N 1 0 349.519 2.693 20 10 EFCDRO COCCCN(Cc1cc(Cl)c(OC)cc1O)[C@H]1CCC[NH2+]C1 ZINC001235807783 1313401425 /nfs/dbraw/zinc/40/14/25/1313401425.db2.gz WOTUUZWXSSDLHJ-AWEZNQCLSA-N 1 0 342.867 2.645 20 10 EFCDRO COc1cc(C)c(C[N@H+](C)C2CN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001206117049 1313407354 /nfs/dbraw/zinc/40/73/54/1313407354.db2.gz XIBAPOZPGAEQAK-UHFFFAOYSA-N 1 0 336.432 2.760 20 10 EFCDRO CC(C)C[C@H]1CN(Cc2cc(Br)ccc2O)CC[NH2+]1 ZINC001235878752 1313413745 /nfs/dbraw/zinc/41/37/45/1313413745.db2.gz OQUYJWJCUYLSRE-AWEZNQCLSA-N 1 0 327.266 2.975 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@@H]([NH3+])CC[C@H]2C)c2ccccc2n1C ZINC001235909169 1313416207 /nfs/dbraw/zinc/41/62/07/1313416207.db2.gz ZVCVVTVKOPPWEZ-KGLIPLIRSA-N 1 0 329.444 2.667 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[NH2+]C[C@@H]2C)c2ccccc2n1C ZINC001206263241 1313428269 /nfs/dbraw/zinc/42/82/69/1313428269.db2.gz SNGONPHDRMSBOW-AWEZNQCLSA-N 1 0 329.444 2.539 20 10 EFCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000160046024 1297778072 /nfs/dbraw/zinc/77/80/72/1297778072.db2.gz DYGCLUZIARGCTN-OAHLLOKOSA-N 1 0 334.460 2.838 20 10 EFCDRO CCOC(=O)c1c(CN(C)C[C@@H]2CCC[NH2+]C2)c2ccccc2n1C ZINC001235956446 1313423189 /nfs/dbraw/zinc/42/31/89/1313423189.db2.gz DCJZOJFFRJZYIJ-OAHLLOKOSA-N 1 0 343.471 2.786 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@H](C)[NH2+]C[C@@H]2C)c2ccccc2n1C ZINC001236079699 1313439217 /nfs/dbraw/zinc/43/92/17/1313439217.db2.gz RXYAMFZDIWZZQW-KBPBESRZSA-N 1 0 329.444 2.537 20 10 EFCDRO COC(=O)c1c(CN2CCCC[C@](F)(C[NH3+])C2)c2ccccc2n1C ZINC001206360745 1313442093 /nfs/dbraw/zinc/44/20/93/1313442093.db2.gz AJRRIQKGQDBALN-IBGZPJMESA-N 1 0 347.434 2.618 20 10 EFCDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236132884 1313445130 /nfs/dbraw/zinc/44/51/30/1313445130.db2.gz PGOQFMIATYUXIN-QGZVFWFLSA-N 1 0 337.895 2.751 20 10 EFCDRO CCC[C@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)CC[NH2+]1 ZINC001236178319 1313451977 /nfs/dbraw/zinc/45/19/77/1313451977.db2.gz JGYHUVAGWWAJCJ-INIZCTEOSA-N 1 0 337.895 2.751 20 10 EFCDRO CCC[C@H]1CN(Cc2c3ccccc3n(C)c2C(=O)OC)CC[NH2+]1 ZINC001236179143 1313452043 /nfs/dbraw/zinc/45/20/43/1313452043.db2.gz SGSBUCKYPDCAEX-AWEZNQCLSA-N 1 0 329.444 2.539 20 10 EFCDRO COC(=O)C[C@]1([NH2+]Cc2cc(Cl)c(C)cc2O)CCCOC1 ZINC000825535677 1298019532 /nfs/dbraw/zinc/01/95/32/1298019532.db2.gz BFPYXZVNKJFUDR-MRXNPFEDSA-N 1 0 327.808 2.556 20 10 EFCDRO CCOC(=O)c1c(CN(C)[C@@]2(C)CCC[NH2+]C2)c2ccccc2n1C ZINC001236206250 1313455455 /nfs/dbraw/zinc/45/54/55/1313455455.db2.gz JPQUOUKPIDYMSU-FQEVSTJZSA-N 1 0 343.471 2.929 20 10 EFCDRO CN(Cc1ccc(N2CCOCC2)c(Cl)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219759 1313457137 /nfs/dbraw/zinc/45/71/37/1313457137.db2.gz XQKBIOQETJRGFT-AEFFLSMTSA-N 1 0 337.895 2.878 20 10 EFCDRO COc1cc(O)c(CN(C)[C@H]2CCCC[C@@H]2[NH3+])c(Br)c1 ZINC001236218058 1313457438 /nfs/dbraw/zinc/45/74/38/1313457438.db2.gz RHJYNBXHBADNNY-KBPBESRZSA-N 1 0 343.265 2.865 20 10 EFCDRO Oc1c(CN(C2CC2)[C@@H]2CCC[NH2+]C2)cc2c3c1CCCN3CCC2 ZINC001236239334 1313459628 /nfs/dbraw/zinc/45/96/28/1313459628.db2.gz JXIIWDICPYWFHB-GOSISDBHSA-N 1 0 341.499 2.807 20 10 EFCDRO COC(=O)c1c(CN(C2CC2)[C@H]2CCC[NH2+]C2)c2ccccc2n1C ZINC001236242748 1313460016 /nfs/dbraw/zinc/46/00/16/1313460016.db2.gz YRVVJFMIVHLZIA-HNNXBMFYSA-N 1 0 341.455 2.681 20 10 EFCDRO CCCN(Cc1cc(Br)c(OC)cc1O)[C@H]1CC[NH2+]C1 ZINC001236322765 1313469303 /nfs/dbraw/zinc/46/93/03/1313469303.db2.gz AHJHKENFMJEOCK-LBPRGKRZSA-N 1 0 343.265 2.737 20 10 EFCDRO CCCN(Cc1cc(OC)c(Br)cc1O)[C@H]1CC[NH2+]C1 ZINC001236324566 1313469634 /nfs/dbraw/zinc/46/96/34/1313469634.db2.gz RRDCQLZMDCBQNG-LBPRGKRZSA-N 1 0 343.265 2.737 20 10 EFCDRO COCCN(Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@H]1CCC[NH2+]C1 ZINC001236326125 1313469666 /nfs/dbraw/zinc/46/96/66/1313469666.db2.gz AHQUWGDIBABQIW-INIZCTEOSA-N 1 0 346.471 2.777 20 10 EFCDRO C[C@@]1(C[NH3+])CCCCN(Cc2cc(O)c(Br)cc2O)C1 ZINC001206574206 1313478128 /nfs/dbraw/zinc/47/81/28/1313478128.db2.gz QLXPMSUQTBPGJX-HNNXBMFYSA-N 1 0 343.265 2.811 20 10 EFCDRO CC(C)N(Cc1ccc(N2CCOCC2)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC001236528964 1313489090 /nfs/dbraw/zinc/48/90/90/1313489090.db2.gz LSISLKSYBVLWMY-QGZVFWFLSA-N 1 0 337.895 2.749 20 10 EFCDRO C[NH+](C)Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1F ZINC000779528925 1298325673 /nfs/dbraw/zinc/32/56/73/1298325673.db2.gz AZEKYTZNFRHEMQ-XBXARRHUSA-N 1 0 330.359 2.950 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@@H](C)[NH2+][C@H](C)C2)c2ccccc2n1C ZINC001236581343 1313494119 /nfs/dbraw/zinc/49/41/19/1313494119.db2.gz VZALCYPJDMGEMU-ZIAGYGMSSA-N 1 0 329.444 2.537 20 10 EFCDRO COC(=O)c1c(CN2C[C@H](C[NH3+])CC[C@H]2C)c2ccccc2n1C ZINC001206770126 1313503869 /nfs/dbraw/zinc/50/38/69/1313503869.db2.gz RGNMWKIHZAOTPL-KGLIPLIRSA-N 1 0 329.444 2.524 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2CCC[C@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC001236666925 1313505913 /nfs/dbraw/zinc/50/59/13/1313505913.db2.gz XKFNJVBEITYWGF-WFASDCNBSA-N 1 0 339.277 2.989 20 10 EFCDRO CC[N@@H+]1CCCN(Cc2cc(C)cc(Br)c2O)CC1 ZINC001236674107 1313507540 /nfs/dbraw/zinc/50/75/40/1313507540.db2.gz UAIGLCAJLQECQH-UHFFFAOYSA-N 1 0 327.266 2.991 20 10 EFCDRO CCN(CC[NH+](C)C)Cc1cc(OC)c(Br)cc1O ZINC001236746212 1313520257 /nfs/dbraw/zinc/52/02/57/1313520257.db2.gz VCJFKXSXBJMICZ-UHFFFAOYSA-N 1 0 331.254 2.547 20 10 EFCDRO COc1cc(C[N@H+](C)C2CCN(C)CC2)c(O)cc1Br ZINC001236744902 1313520980 /nfs/dbraw/zinc/52/09/80/1313520980.db2.gz ILRSQGMIRLVVIN-UHFFFAOYSA-N 1 0 343.265 2.689 20 10 EFCDRO CC[N@@H+]1CCCN(Cc2cc(OC)c(Br)cc2O)CC1 ZINC001236745511 1313521007 /nfs/dbraw/zinc/52/10/07/1313521007.db2.gz PPDBSGXRQWUVPO-UHFFFAOYSA-N 1 0 343.265 2.691 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@](C)(O)[C@H](C)C2)c(O)cc1Br ZINC001236744699 1313521053 /nfs/dbraw/zinc/52/10/53/1313521053.db2.gz BQOCLZFTFNGSQN-MEBBXXQBSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c(O)cc1Br ZINC001236749228 1313521836 /nfs/dbraw/zinc/52/18/36/1313521836.db2.gz AHKHNKCIRZBHIJ-RTCCRHLQSA-N 1 0 330.197 2.811 20 10 EFCDRO COc1cc(CN2C[C@H](C)[N@H+](C)C[C@H]2C)c(O)cc1Br ZINC001236749040 1313521944 /nfs/dbraw/zinc/52/19/44/1313521944.db2.gz XWVZIJZOJWDSNQ-WDEREUQCSA-N 1 0 343.265 2.688 20 10 EFCDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c(C)n1-c1ccccn1 ZINC000108329022 1298544808 /nfs/dbraw/zinc/54/48/08/1298544808.db2.gz PJNPHPJGKQEJJF-MRXNPFEDSA-N 1 0 326.444 2.561 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@](C)(O)C2)c(O)cc1Br ZINC001236753549 1313522232 /nfs/dbraw/zinc/52/22/32/1313522232.db2.gz PUMIWZQYADPISC-CQSZACIVSA-N 1 0 330.222 2.510 20 10 EFCDRO CCOC(=O)CN(Cc1cc(OC)c(OC)cc1O)C1CCCC1 ZINC001236753275 1313522302 /nfs/dbraw/zinc/52/23/02/1313522302.db2.gz IYZUWSAOKFVLAK-UHFFFAOYSA-N 1 0 337.416 2.717 20 10 EFCDRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000305754159 1298549133 /nfs/dbraw/zinc/54/91/33/1298549133.db2.gz VVFSMBXWVHPXQD-KSSFIOAISA-N 1 0 348.418 2.857 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c(O)cc1Br ZINC001236757434 1313522790 /nfs/dbraw/zinc/52/27/90/1313522790.db2.gz UPYHJJHMXABCDN-AWEZNQCLSA-N 1 0 344.249 2.899 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)cc1OC ZINC001236756229 1313522818 /nfs/dbraw/zinc/52/28/18/1313522818.db2.gz JHQVAUVIJJCWQN-HNNXBMFYSA-N 1 0 329.396 2.845 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](Oc3cccc(C)n3)C2)cc1OC ZINC001236754850 1313523301 /nfs/dbraw/zinc/52/33/01/1313523301.db2.gz VJBJASLWZNWCSL-HNNXBMFYSA-N 1 0 344.411 2.766 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@]23CCOC3)c(O)cc1Br ZINC001236755417 1313523349 /nfs/dbraw/zinc/52/33/49/1313523349.db2.gz CFXYRBIYOWSERE-HNNXBMFYSA-N 1 0 342.233 2.918 20 10 EFCDRO CC1(C)C[N@H+](Cc2cc(O)c(Br)cc2O)[C@@](C)(CO)C1 ZINC001236766980 1313524630 /nfs/dbraw/zinc/52/46/30/1313524630.db2.gz KDMNTROVTQXERV-OAHLLOKOSA-N 1 0 344.249 2.843 20 10 EFCDRO C[C@@H]1CC[N@H+](Cc2cc(O)c(Br)cc2O)CC[C@@]1(C)O ZINC001236764417 1313524640 /nfs/dbraw/zinc/52/46/40/1313524640.db2.gz FJUQWEDDMNGIDB-MEBBXXQBSA-N 1 0 344.249 2.843 20 10 EFCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H](O)c2ccco2)c1O ZINC000305759812 1298571569 /nfs/dbraw/zinc/57/15/69/1298571569.db2.gz BVIWEBOGBOYECY-GFCCVEGCSA-N 1 0 326.190 2.879 20 10 EFCDRO CO[C@@H]1CCC[N@H+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001236770066 1313525548 /nfs/dbraw/zinc/52/55/48/1313525548.db2.gz CGRFUOBGWYCCSF-LLVKDONJSA-N 1 0 330.222 2.861 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001236807659 1313533471 /nfs/dbraw/zinc/53/34/71/1313533471.db2.gz IAEGJJSTGJAUAR-HNNXBMFYSA-N 1 0 333.350 2.989 20 10 EFCDRO Oc1cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c(O)cc1Br ZINC001236771296 1313526038 /nfs/dbraw/zinc/52/60/38/1313526038.db2.gz OTCPDMLKGBQOLA-OAHLLOKOSA-N 1 0 342.233 2.863 20 10 EFCDRO Oc1cc(CN2CCC[C@@]3(CCO3)C2)c(O)cc1Br ZINC001236770929 1313526056 /nfs/dbraw/zinc/52/60/56/1313526056.db2.gz LRCWWAWNQDBDQT-CQSZACIVSA-N 1 0 328.206 2.615 20 10 EFCDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(O)cc(OC)cc1Cl)C2 ZINC001236807477 1313533523 /nfs/dbraw/zinc/53/35/23/1313533523.db2.gz GYVJYIMPTSDWLD-TUAOUCFPSA-N 1 0 339.819 2.828 20 10 EFCDRO Oc1ccc(OCc2ccccc2)cc1C[N@@H+]1CC[C@H](F)[C@H](O)C1 ZINC001236778703 1313527775 /nfs/dbraw/zinc/52/77/75/1313527775.db2.gz LXASQCHHOLEHFM-PKOBYXMFSA-N 1 0 331.387 2.876 20 10 EFCDRO CCNC(=O)OC1CC[NH+](Cc2c(O)cc(OC)cc2Cl)CC1 ZINC001236807313 1313533566 /nfs/dbraw/zinc/53/35/66/1313533566.db2.gz FGJIOOHXLOFGFF-UHFFFAOYSA-N 1 0 342.823 2.765 20 10 EFCDRO CCc1ccc(C[NH+]2CCC(NC(=O)c3ccncc3)CC2)c(O)c1 ZINC001236788770 1313529464 /nfs/dbraw/zinc/52/94/64/1313529464.db2.gz QEXWGYGDGSLHSF-UHFFFAOYSA-N 1 0 339.439 2.744 20 10 EFCDRO CCc1ccc(C[NH+]2CCC(NC(=O)N3CCCC3)CC2)c(O)c1 ZINC001236787674 1313529503 /nfs/dbraw/zinc/52/95/03/1313529503.db2.gz JOBKESXEYLZSOM-UHFFFAOYSA-N 1 0 331.460 2.724 20 10 EFCDRO [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC001236795517 1313530015 /nfs/dbraw/zinc/53/00/15/1313530015.db2.gz FVZBRNOETJYNLG-LBPRGKRZSA-N 1 0 331.243 2.606 20 10 EFCDRO Oc1cc(Cl)c(Cl)cc1CN1CC[NH+](C2CCOCC2)CC1 ZINC001236795540 1313530456 /nfs/dbraw/zinc/53/04/56/1313530456.db2.gz GCVDDIOGMCOYRT-UHFFFAOYSA-N 1 0 345.270 2.996 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)c(Cl)c1 ZINC001236796924 1313530497 /nfs/dbraw/zinc/53/04/97/1313530497.db2.gz IGICFWSMBRTKSP-QGZVFWFLSA-N 1 0 338.835 2.689 20 10 EFCDRO CCc1ccc(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)c(O)c1 ZINC001236795226 1313530753 /nfs/dbraw/zinc/53/07/53/1313530753.db2.gz SCPNUSJSDHHDAC-UHFFFAOYSA-N 1 0 328.412 2.896 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ncc(C)cn3)C2)c([O-])c1Cl ZINC001236809910 1313533699 /nfs/dbraw/zinc/53/36/99/1313533699.db2.gz OYFLDYFGWGFQAB-CYBMUJFWSA-N 1 0 349.818 2.806 20 10 EFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2Cl)[C@H]1C ZINC001236801128 1313531132 /nfs/dbraw/zinc/53/11/32/1313531132.db2.gz DFYPKSFMYZWSIL-CMPLNLGQSA-N 1 0 327.808 2.828 20 10 EFCDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236803588 1313532434 /nfs/dbraw/zinc/53/24/34/1313532434.db2.gz PEDFUSHWHALKIE-MNOVXSKESA-N 1 0 327.808 2.685 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](Oc3ncc(C)cn3)C2)c(Cl)c1 ZINC001236806471 1313532729 /nfs/dbraw/zinc/53/27/29/1313532729.db2.gz WUZUZNPJSRDBPC-LBPRGKRZSA-N 1 0 349.818 2.806 20 10 EFCDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(OC)c(Cl)c2[O-])CCS1 ZINC001236806552 1313533104 /nfs/dbraw/zinc/53/31/04/1313533104.db2.gz BRXAQYZACAVZPJ-GFCCVEGCSA-N 1 0 345.848 2.535 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)Cc2c1cnn2C ZINC001236810485 1313534307 /nfs/dbraw/zinc/53/43/07/1313534307.db2.gz YLDGMUAZJAQAJX-AWEZNQCLSA-N 1 0 345.443 2.579 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCN(c3ccc(C)cn3)CC2)c(O)c1 ZINC001236812008 1313534938 /nfs/dbraw/zinc/53/49/38/1313534938.db2.gz XRYNUDMFRNGVGR-UHFFFAOYSA-N 1 0 327.428 2.735 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCN(c3ncc(C)s3)CC2)c(O)c1 ZINC001236811248 1313535305 /nfs/dbraw/zinc/53/53/05/1313535305.db2.gz NKAYWAZJWZSVEH-UHFFFAOYSA-N 1 0 333.457 2.796 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCCN(Cc3ccncc3)CC2)c(O)c1 ZINC001236817660 1313535874 /nfs/dbraw/zinc/53/58/74/1313535874.db2.gz FUPSITBSYFBJHV-UHFFFAOYSA-N 1 0 341.455 2.812 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](Oc3nccc(C)n3)C2)c(O)c1 ZINC001236815928 1313536156 /nfs/dbraw/zinc/53/61/56/1313536156.db2.gz PIUCDDHNUVWYQS-HNNXBMFYSA-N 1 0 343.427 2.851 20 10 EFCDRO CCNC(=O)CO[C@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236833920 1313538496 /nfs/dbraw/zinc/53/84/96/1313538496.db2.gz RDNZWCUDNJXFAR-SFHVURJKSA-N 1 0 342.439 2.663 20 10 EFCDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236917772 1313553054 /nfs/dbraw/zinc/55/30/54/1313553054.db2.gz AUPZDXKUVQVFON-KRWDZBQOSA-N 1 0 338.879 2.912 20 10 EFCDRO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236920907 1313553119 /nfs/dbraw/zinc/55/31/19/1313553119.db2.gz APOHRSLVMJJLGX-HUUCEWRRSA-N 1 0 338.879 2.769 20 10 EFCDRO C[N@@H+]1CC[C@]2(CCN(Cc3ccc(N4CCOCC4)cc3Cl)C2)C1 ZINC001236920349 1313553461 /nfs/dbraw/zinc/55/34/61/1313553461.db2.gz UHDYGKRUQRSEPM-IBGZPJMESA-N 1 0 349.906 2.704 20 10 EFCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC[C@@H]1O ZINC001236926287 1313555022 /nfs/dbraw/zinc/55/50/22/1313555022.db2.gz FBHCWWARZUAKPI-KDOFPFPSSA-N 1 0 338.879 2.769 20 10 EFCDRO CC[NH+](CC)CCN(C)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236930159 1313555594 /nfs/dbraw/zinc/55/55/94/1313555594.db2.gz XTWDZYPHJRLZPA-UHFFFAOYSA-N 1 0 339.911 2.950 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN3CC[C@@H](C(F)(F)F)C3)c(F)c2)CC1 ZINC001236938868 1313557199 /nfs/dbraw/zinc/55/71/99/1313557199.db2.gz OMUBNCMENUIOCI-CQSZACIVSA-N 1 0 345.384 2.962 20 10 EFCDRO COCCCN(Cc1ccc(N(C)C)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC001236944635 1313557897 /nfs/dbraw/zinc/55/78/97/1313557897.db2.gz CSCMSBCPXSMGBD-MRXNPFEDSA-N 1 0 325.884 2.606 20 10 EFCDRO COc1ccc(N2CC[NH+](C[C@H](O)c3ccc(C)cc3)CC2)cc1F ZINC000084866491 1298861474 /nfs/dbraw/zinc/86/14/74/1298861474.db2.gz WSVUYMQEXNBUPO-IBGZPJMESA-N 1 0 344.430 2.998 20 10 EFCDRO COCCCN(Cc1c(O)ccc(Cl)c1Cl)[C@H]1CC[NH2+]C1 ZINC001236945338 1313558844 /nfs/dbraw/zinc/55/88/44/1313558844.db2.gz HERFQPCXXZWMDA-NSHDSACASA-N 1 0 333.259 2.899 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CCN[C@H](C(F)(F)F)C2)c(O)c1 ZINC001236978674 1313565066 /nfs/dbraw/zinc/56/50/66/1313565066.db2.gz CXLRZAWXUYTXQN-HNNXBMFYSA-N 1 0 331.382 2.575 20 10 EFCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)c(O)c1 ZINC001276365519 1298925310 /nfs/dbraw/zinc/92/53/10/1298925310.db2.gz OXKQXPCPVKNDLI-ROUUACIJSA-N 1 0 326.444 2.581 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)C3CC=CC3)C2)cc1C ZINC000961656132 1298982639 /nfs/dbraw/zinc/98/26/39/1298982639.db2.gz QNTNCOSKZIGCSJ-UHFFFAOYSA-N 1 0 328.456 2.954 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)c(O)c1 ZINC001237040322 1313573402 /nfs/dbraw/zinc/57/34/02/1313573402.db2.gz GQNXALMDDDFEGF-YJBOKZPZSA-N 1 0 346.471 2.870 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c(O)c1 ZINC001237041409 1313574323 /nfs/dbraw/zinc/57/43/23/1313574323.db2.gz IIJACLVOBDXRNR-QGZVFWFLSA-N 1 0 332.444 2.768 20 10 EFCDRO CCOc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1 ZINC001237047028 1313574825 /nfs/dbraw/zinc/57/48/25/1313574825.db2.gz QOZVLVVFOZGRLY-GOEBONIOSA-N 1 0 348.443 2.842 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC(NC(=O)N3CCCC3)CC2)c(O)c1 ZINC001237048627 1313576296 /nfs/dbraw/zinc/57/62/96/1313576296.db2.gz UYIFXBTYKHTZRW-UHFFFAOYSA-N 1 0 347.459 2.561 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](Oc3cc(C)ncn3)C2)c(O)c1 ZINC001237047056 1313575388 /nfs/dbraw/zinc/57/53/88/1313575388.db2.gz JVXIUJRFDJCMFJ-KRWDZBQOSA-N 1 0 343.427 2.933 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@H](Oc3cccc(OC)n3)C2)c(O)c1 ZINC001237046832 1313575552 /nfs/dbraw/zinc/57/55/52/1313575552.db2.gz GRSZQLLIAVLTHB-INIZCTEOSA-N 1 0 344.411 2.848 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)c(O)c1 ZINC001237048941 1313575641 /nfs/dbraw/zinc/57/56/41/1313575641.db2.gz BPYLANKZZXFYBF-ABAIWWIYSA-N 1 0 333.350 2.926 20 10 EFCDRO CC(C)c1ccc(CN2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c(O)c1 ZINC001237050695 1313575872 /nfs/dbraw/zinc/57/58/72/1313575872.db2.gz GZPXHAVQHPJGMD-INIZCTEOSA-N 1 0 342.487 2.906 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCN[C@H](C(F)(F)F)C3)c2c1 ZINC001236996534 1313568229 /nfs/dbraw/zinc/56/82/29/1313568229.db2.gz OEDCAWQWDHGVAA-INIZCTEOSA-N 1 0 340.345 2.890 20 10 EFCDRO COC(=O)CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1O)C1CC1 ZINC001237064105 1313579954 /nfs/dbraw/zinc/57/99/54/1313579954.db2.gz YKKNCZJQBWKZOE-UHFFFAOYSA-N 1 0 347.333 2.861 20 10 EFCDRO CCN(CC[NH+](C)C)Cc1c(O)cc(OC)cc1Br ZINC001237064306 1313579965 /nfs/dbraw/zinc/57/99/65/1313579965.db2.gz ZYSNYTWLPQYHAS-UHFFFAOYSA-N 1 0 331.254 2.547 20 10 EFCDRO CC[C@@]12C[C@@H](CO1)N(Cc1c(O)cc(OC)cc1Br)C2 ZINC001237066791 1313581026 /nfs/dbraw/zinc/58/10/26/1313581026.db2.gz BKTCIHYHHNQSIF-BONVTDFDSA-N 1 0 342.233 2.917 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C(C)=O)C2)c(Br)c1 ZINC001237072011 1313582238 /nfs/dbraw/zinc/58/22/38/1313582238.db2.gz ZDKCADGTDBXDNJ-LLVKDONJSA-N 1 0 342.233 2.964 20 10 EFCDRO COc1cc(O)c(CN2CCC[C@H]2C[NH+](C)C)c(Br)c1 ZINC001237073796 1313583047 /nfs/dbraw/zinc/58/30/47/1313583047.db2.gz VHNNSOSQQXRKGW-NSHDSACASA-N 1 0 343.265 2.689 20 10 EFCDRO Oc1ccc(Cl)c(Cl)c1CN1CC[NH+](C2CCOCC2)CC1 ZINC001237082439 1313584200 /nfs/dbraw/zinc/58/42/00/1313584200.db2.gz RPMUYIIRWQOSSO-UHFFFAOYSA-N 1 0 345.270 2.996 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[NH+]1CCN(C2CC2)CC1 ZINC001237050935 1313576598 /nfs/dbraw/zinc/57/65/98/1313576598.db2.gz FYILGPRVRIXJAT-UHFFFAOYSA-N 1 0 330.350 2.613 20 10 EFCDRO COC(=O)[C@@H]1CCCCN1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237053768 1313576624 /nfs/dbraw/zinc/57/66/24/1313576624.db2.gz QDDBTUMVTVOALS-ZDUSSCGKSA-N 1 0 347.333 2.861 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001237052693 1313577283 /nfs/dbraw/zinc/57/72/83/1313577283.db2.gz BVQNLZYNOAOETK-CHWSQXEVSA-N 1 0 337.313 2.628 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC001237055521 1313577854 /nfs/dbraw/zinc/57/78/54/1313577854.db2.gz FDZNAJFLCKSGAB-CYBMUJFWSA-N 1 0 330.350 2.613 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCCC2(COC2)C1 ZINC001237054199 1313578074 /nfs/dbraw/zinc/57/80/74/1313578074.db2.gz WOYXVDJVDRVVSX-UHFFFAOYSA-N 1 0 331.334 2.946 20 10 EFCDRO C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)C[C@H](C)N1C ZINC001237057825 1313578601 /nfs/dbraw/zinc/57/86/01/1313578601.db2.gz FXLYSIHWKXILAQ-TXEJJXNPSA-N 1 0 332.366 2.858 20 10 EFCDRO COC[C@H]1CCC[N@@H+]1Cc1c(O)cc(OC)cc1Br ZINC001237061722 1313579399 /nfs/dbraw/zinc/57/93/99/1313579399.db2.gz HEKCNZGMEYJUHL-SNVBAGLBSA-N 1 0 330.222 2.774 20 10 EFCDRO CN1CCC[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@@H]21 ZINC001237062433 1313579575 /nfs/dbraw/zinc/57/95/75/1313579575.db2.gz NTZCJCNVEMGUFU-DOMZBBRYSA-N 1 0 344.377 2.859 20 10 EFCDRO CN(C)C(=O)[C@H]1CCC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237111825 1313587312 /nfs/dbraw/zinc/58/73/12/1313587312.db2.gz UODBDFZKMVEWCR-NSHDSACASA-N 1 0 346.349 2.591 20 10 EFCDRO CC(=O)N1CCC[C@H]([N@H+](C)Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237114865 1313588070 /nfs/dbraw/zinc/58/80/70/1313588070.db2.gz NSUMGJRPGLJCIO-LBPRGKRZSA-N 1 0 346.349 2.734 20 10 EFCDRO O=C1CC[C@]2(CCC[N@@H+](Cc3c(O)cccc3OC(F)(F)F)C2)O1 ZINC001237113663 1313588222 /nfs/dbraw/zinc/58/82/22/1313588222.db2.gz AHRQGYSIMDJXHB-HNNXBMFYSA-N 1 0 345.317 2.962 20 10 EFCDRO C[N@@H+]1CC[C@]2(CCN(Cc3c(O)cccc3OC(F)(F)F)C2)C1 ZINC001237115413 1313588920 /nfs/dbraw/zinc/58/89/20/1313588920.db2.gz SFRYXXKBQLGCHC-HNNXBMFYSA-N 1 0 330.350 2.818 20 10 EFCDRO COC(=O)CC[N@H+](Cc1c(O)cccc1OC(F)(F)F)C1CC1 ZINC001237115460 1313589046 /nfs/dbraw/zinc/58/90/46/1313589046.db2.gz TZQWPFMUVQMLOS-UHFFFAOYSA-N 1 0 333.306 2.818 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1CN1CC[NH+](C2CCC2)CC1 ZINC001237119400 1313589363 /nfs/dbraw/zinc/58/93/63/1313589363.db2.gz HVPWBZSUSSOHOF-UHFFFAOYSA-N 1 0 330.350 2.961 20 10 EFCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1OC(F)(F)F ZINC001237122314 1313590123 /nfs/dbraw/zinc/59/01/23/1313590123.db2.gz IDHOAPUWFCAUNL-JTQLQIEISA-N 1 0 333.306 2.818 20 10 EFCDRO CN(C)C(=O)[C@H]1CC12CC[NH+](Cc1c(O)ccc(F)c1Cl)CC2 ZINC001237123366 1313590565 /nfs/dbraw/zinc/59/05/65/1313590565.db2.gz DMGHESCXBTVOTB-GFCCVEGCSA-N 1 0 340.826 2.875 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCC[C@@](O)(CF)CC1 ZINC001237121799 1313590659 /nfs/dbraw/zinc/59/06/59/1313590659.db2.gz ZPYZIMQVLLKBQR-AWEZNQCLSA-N 1 0 337.313 2.977 20 10 EFCDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237122172 1313590749 /nfs/dbraw/zinc/59/07/49/1313590749.db2.gz FEQAZELAVNAARQ-GHMZBOCLSA-N 1 0 347.333 2.922 20 10 EFCDRO C[N@@H+]1C[C@H]2CCCN(Cc3c(O)cccc3OC(F)(F)F)[C@H]2C1 ZINC001237124061 1313591131 /nfs/dbraw/zinc/59/11/31/1313591131.db2.gz XHOBTEMYXNJINE-YPMHNXCESA-N 1 0 330.350 2.817 20 10 EFCDRO CN1CC2(CC1=O)CC[NH+](Cc1c(O)ccc(F)c1Cl)CC2 ZINC001237129210 1313591956 /nfs/dbraw/zinc/59/19/56/1313591956.db2.gz XGSGFPGWFRUVHR-UHFFFAOYSA-N 1 0 326.799 2.629 20 10 EFCDRO Fc1cc(N2CCOCC2)ccc1CN(C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237156488 1313594692 /nfs/dbraw/zinc/59/46/92/1313594692.db2.gz WQQZXRHKUCUGCY-LJQANCHMSA-N 1 0 347.478 2.769 20 10 EFCDRO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000305851488 1299206868 /nfs/dbraw/zinc/20/68/68/1299206868.db2.gz VADWJIPIJSQQHL-LBPRGKRZSA-N 1 0 332.423 2.669 20 10 EFCDRO COCCOCN1CC2(C1)CC[NH+](Cc1c(C)cc(C)cc1O)CC2 ZINC001276365907 1299215919 /nfs/dbraw/zinc/21/59/19/1299215919.db2.gz WPOCHCZDAFJZSW-UHFFFAOYSA-N 1 0 348.487 2.527 20 10 EFCDRO CCCC[N@H+](CCC)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237205219 1313604991 /nfs/dbraw/zinc/60/49/91/1313604991.db2.gz HCZJUAMCOUSPEF-UHFFFAOYSA-N 1 0 338.517 2.934 20 10 EFCDRO O=S1(=O)CCN(c2ccc(C[N@@H+]3CC[C@H]4CCC[C@@H]4C3)cc2)CC1 ZINC001237204602 1313605195 /nfs/dbraw/zinc/60/51/95/1313605195.db2.gz COWJXLYMKNOADQ-QZTJIDSGSA-N 1 0 348.512 2.543 20 10 EFCDRO FC(F)(F)Oc1ccc(N2CCN(C[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001237206111 1313605940 /nfs/dbraw/zinc/60/59/40/1313605940.db2.gz QXJQXNRQGURRQF-AWEZNQCLSA-N 1 0 343.393 2.849 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C)cc1F ZINC000109032660 1299267988 /nfs/dbraw/zinc/26/79/88/1299267988.db2.gz NDENGPCMJUVXDI-OAHLLOKOSA-N 1 0 336.455 2.565 20 10 EFCDRO CCCCN(CCCC)c1ccc(C[N@H+](C)CC(=O)NC)c(O)c1 ZINC001237215183 1313608217 /nfs/dbraw/zinc/60/82/17/1313608217.db2.gz KLFKALPJFQKSAL-UHFFFAOYSA-N 1 0 335.492 2.977 20 10 EFCDRO COC(=O)c1c(CN2CC[NH2+]C3=CCCC[C@@H]32)c2ccccc2n1C ZINC001237224344 1313609533 /nfs/dbraw/zinc/60/95/33/1313609533.db2.gz FMIMQLOODKNZOS-SFHVURJKSA-N 1 0 339.439 2.807 20 10 EFCDRO C[C@@H]([NH3+])CN1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001237258852 1313614150 /nfs/dbraw/zinc/61/41/50/1313614150.db2.gz PIXRMSPMDCPYAV-OAHLLOKOSA-N 1 0 336.439 2.964 20 10 EFCDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1O ZINC000109772602 1299336794 /nfs/dbraw/zinc/33/67/94/1299336794.db2.gz RIRUDLKOBSQUPT-GFCCVEGCSA-N 1 0 329.356 2.759 20 10 EFCDRO Oc1ccccc1C[N@H+](CCOCC(F)(F)F)C[C@@H]1CCCO1 ZINC000109761417 1299336867 /nfs/dbraw/zinc/33/68/67/1299336867.db2.gz QMEYQKOUEGZIBZ-AWEZNQCLSA-N 1 0 333.350 2.952 20 10 EFCDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1O ZINC000109771190 1299337738 /nfs/dbraw/zinc/33/77/38/1299337738.db2.gz UHIBQCXHEMPEJD-UHFFFAOYSA-N 1 0 329.356 2.761 20 10 EFCDRO C[N@H+](CC(=O)NCCc1ccc(Cl)cc1)Cc1ccccc1O ZINC000109772373 1299338061 /nfs/dbraw/zinc/33/80/61/1299338061.db2.gz AGYMBJGHBYSNEY-UHFFFAOYSA-N 1 0 332.831 2.836 20 10 EFCDRO Cc1ccc(NC(=O)NC(=O)C[N@@H+](C)Cc2ccccc2O)cc1C ZINC000109770763 1299338515 /nfs/dbraw/zinc/33/85/15/1299338515.db2.gz OHTDLKQZBKGZND-UHFFFAOYSA-N 1 0 341.411 2.789 20 10 EFCDRO c1ccc(COc2ccc(N3CCN(C[C@H]4CC[NH2+]4)CC3)cc2)cc1 ZINC001237248292 1313612286 /nfs/dbraw/zinc/61/22/86/1313612286.db2.gz KSQYJIXDINAMGX-LJQANCHMSA-N 1 0 337.467 2.750 20 10 EFCDRO CCn1ccnc1CN1CC2(C1)C[NH+](Cc1c(C)cc(C)cc1O)C2 ZINC001276366098 1299369801 /nfs/dbraw/zinc/36/98/01/1299369801.db2.gz ZMTZIMSIHBJQAT-UHFFFAOYSA-N 1 0 340.471 2.543 20 10 EFCDRO CC(C)CNC(=O)CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000851840408 1299427521 /nfs/dbraw/zinc/42/75/21/1299427521.db2.gz FYACGRFFAXZJKX-SFHVURJKSA-N 1 0 348.487 2.926 20 10 EFCDRO C[C@@H]([NH2+]CC[C@@H]1COC(C)(C)O1)c1ccc(N2CCOCC2)cc1 ZINC000851897856 1299455377 /nfs/dbraw/zinc/45/53/77/1299455377.db2.gz RSQOSOGRKLPZNZ-CRAIPNDOSA-N 1 0 334.460 2.715 20 10 EFCDRO Oc1ccc(Br)cc1CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237383894 1313633104 /nfs/dbraw/zinc/63/31/04/1313633104.db2.gz SFICNZOMYUGDNK-RISCZKNCSA-N 1 0 325.250 2.729 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237414971 1313640885 /nfs/dbraw/zinc/64/08/85/1313640885.db2.gz NSARNFDYRPXPDH-WFASDCNBSA-N 1 0 344.377 2.907 20 10 EFCDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000852468621 1299714614 /nfs/dbraw/zinc/71/46/14/1299714614.db2.gz PDIWBDPVRTZHFP-ZDUSSCGKSA-N 1 0 325.840 2.718 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1CN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237416064 1313641481 /nfs/dbraw/zinc/64/14/81/1313641481.db2.gz RKIUFWRLHKNMFV-AAEUAGOBSA-N 1 0 330.350 2.865 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776606631 1299779702 /nfs/dbraw/zinc/77/97/02/1299779702.db2.gz YOIQJTRGCZFWBU-DIFFPNOSSA-N 1 0 332.356 2.693 20 10 EFCDRO Cc1cc(C)cc(CC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000852791055 1299888686 /nfs/dbraw/zinc/88/86/86/1299888686.db2.gz CIORFBKUHZDXEF-LJQANCHMSA-N 1 0 325.456 2.728 20 10 EFCDRO O=C(NCCCSc1nccs1)c1cc2c(s1)CC[NH2+]C2 ZINC000852806678 1299896104 /nfs/dbraw/zinc/89/61/04/1299896104.db2.gz WLNWEIXAISUZRF-UHFFFAOYSA-N 1 0 339.511 2.763 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000852807647 1299896178 /nfs/dbraw/zinc/89/61/78/1299896178.db2.gz XKKVZYAVKJBZTO-UHFFFAOYSA-N 1 0 329.469 2.698 20 10 EFCDRO Cc1cccc(O)c1C[NH+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@@H]2C1 ZINC001237488990 1313654794 /nfs/dbraw/zinc/65/47/94/1313654794.db2.gz TXAWPDDQRWIBPN-HOTGVXAUSA-N 1 0 342.464 2.966 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1 ZINC001237488094 1313654866 /nfs/dbraw/zinc/65/48/66/1313654866.db2.gz IYICRYDUDLGCGU-GOEBONIOSA-N 1 0 326.396 2.640 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC001237486963 1313655343 /nfs/dbraw/zinc/65/53/43/1313655343.db2.gz WBSHEEVGDIGCHY-YSIASYRMSA-N 1 0 340.423 2.906 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3c2CC[NH2+]C3)c1 ZINC000852885437 1299925638 /nfs/dbraw/zinc/92/56/38/1299925638.db2.gz PXRNBAXKJUSYTE-GFCCVEGCSA-N 1 0 326.396 2.538 20 10 EFCDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cccc3c1CC[NH2+]C3)CC2 ZINC000852889577 1299927782 /nfs/dbraw/zinc/92/77/82/1299927782.db2.gz SLNAOPGKCFNTJS-UHFFFAOYSA-N 1 0 337.379 2.752 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000853244170 1300064495 /nfs/dbraw/zinc/06/44/95/1300064495.db2.gz FVTYGICRKIOJNZ-GOSISDBHSA-N 1 0 344.503 2.674 20 10 EFCDRO C[C@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235411 1300080127 /nfs/dbraw/zinc/08/01/27/1300080127.db2.gz SJHJXXRKQXXLNV-YJBOKZPZSA-N 1 0 334.460 2.536 20 10 EFCDRO C[N@@H+]1CCC[C@@]2(CCCN(C(=O)c3ccc(O)c(O)c3Cl)C2)C1 ZINC001276527647 1313669285 /nfs/dbraw/zinc/66/92/85/1313669285.db2.gz UPCFPUTXWQKSSS-QGZVFWFLSA-N 1 0 338.835 2.699 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)c2c1 ZINC000853555983 1300163566 /nfs/dbraw/zinc/16/35/66/1300163566.db2.gz UKZHWCXEWCPXJZ-KDOFPFPSSA-N 1 0 340.423 2.655 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H]4NC(=O)CC[C@@H]4C3)c2c1 ZINC000853555985 1300163747 /nfs/dbraw/zinc/16/37/47/1300163747.db2.gz UKZHWCXEWCPXJZ-RDTXWAMCSA-N 1 0 340.423 2.655 20 10 EFCDRO O=C(c1ccc(O)c(O)c1Cl)N1CC2(CC[N@@H+]2C2CCCC2)C1 ZINC001276530954 1313677790 /nfs/dbraw/zinc/67/77/90/1313677790.db2.gz HFRRZAHUPKFSTG-UHFFFAOYSA-N 1 0 336.819 2.594 20 10 EFCDRO C[C@@]1(CO)C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC[C@H]1O ZINC001237640692 1313683046 /nfs/dbraw/zinc/68/30/46/1313683046.db2.gz DYUIQRWWSSPFEJ-UXHICEINSA-N 1 0 345.414 2.764 20 10 EFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000111511681 1300232518 /nfs/dbraw/zinc/23/25/18/1300232518.db2.gz NYCCWIDEWYTQQN-OAHLLOKOSA-N 1 0 336.455 2.565 20 10 EFCDRO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000962969219 1300241630 /nfs/dbraw/zinc/24/16/30/1300241630.db2.gz DLOHJILKNBUEOH-ZSHCYNCHSA-N 1 0 343.431 2.555 20 10 EFCDRO Oc1ccc(-c2ccc(F)cc2)cc1C[NH+]1CCN(C2COC2)CC1 ZINC001237641723 1313682541 /nfs/dbraw/zinc/68/25/41/1313682541.db2.gz WHBSEQZGKNAXSC-UHFFFAOYSA-N 1 0 342.414 2.715 20 10 EFCDRO Cc1cc(O)c(CN2CC([NH+]3CCCC3)C2)cc1Br ZINC001237677799 1313689670 /nfs/dbraw/zinc/68/96/70/1313689670.db2.gz DSPLTEFYYOBYPE-UHFFFAOYSA-N 1 0 325.250 2.743 20 10 EFCDRO Cc1cc(O)c(CN2CCC[C@@H]([NH+](C)C)C2)cc1Br ZINC001237678070 1313689914 /nfs/dbraw/zinc/68/99/14/1313689914.db2.gz IQMQTCBTZGIGQX-CYBMUJFWSA-N 1 0 327.266 2.989 20 10 EFCDRO Cc1cc(O)c(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1Br ZINC001237680773 1313689935 /nfs/dbraw/zinc/68/99/35/1313689935.db2.gz FIPIMFYOIKREHL-INIZCTEOSA-N 1 0 339.277 2.991 20 10 EFCDRO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237681911 1313690563 /nfs/dbraw/zinc/69/05/63/1313690563.db2.gz UPUDDVOLNITUSQ-GOSISDBHSA-N 1 0 337.416 2.575 20 10 EFCDRO Cc1cc(O)c(CN(C)CC[NH+]2CCCC2)cc1Br ZINC001237680935 1313690862 /nfs/dbraw/zinc/69/08/62/1313690862.db2.gz FVLJULBGTBOKJT-UHFFFAOYSA-N 1 0 327.266 2.991 20 10 EFCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Br)c(C)cc1O ZINC001237682940 1313691049 /nfs/dbraw/zinc/69/10/49/1313691049.db2.gz VFBBMSCATMLVLN-LBPRGKRZSA-N 1 0 342.233 2.991 20 10 EFCDRO CC[N@H+]1C[C@H]2CN(Cc3cc(Br)c(C)cc3O)C[C@H]2C1 ZINC001237684429 1313691793 /nfs/dbraw/zinc/69/17/93/1313691793.db2.gz KMEXQMYIFFSVTP-OKILXGFUSA-N 1 0 339.277 2.847 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](Oc3ncccc3C)C2)c(O)c(OC)c1 ZINC001237684261 1313692043 /nfs/dbraw/zinc/69/20/43/1313692043.db2.gz PLSUXEAUMOONFL-OAHLLOKOSA-N 1 0 344.411 2.766 20 10 EFCDRO COC[C@@H]1Cn2nccc2C[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC001237687934 1313692303 /nfs/dbraw/zinc/69/23/03/1313692303.db2.gz YWKDSKQIQFWKED-ZDUSSCGKSA-N 1 0 335.835 2.829 20 10 EFCDRO CCC1=NC2(CC[NH+](Cc3cc(Cl)cc(C)c3O)CC2)C(=O)N1C ZINC001237689277 1313692529 /nfs/dbraw/zinc/69/25/29/1313692529.db2.gz OLLMLNJNGHYAHF-UHFFFAOYSA-N 1 0 349.862 2.969 20 10 EFCDRO COc1cc(CN2CC[NH+](C3CCCCC3)CC2)c(O)c(OC)c1 ZINC001237675057 1313689320 /nfs/dbraw/zinc/68/93/20/1313689320.db2.gz RLBZSANRRJTHBH-UHFFFAOYSA-N 1 0 334.460 2.860 20 10 EFCDRO CSCC[N@H+](C)Cc1cccc(I)c1[O-] ZINC001237789298 1313706015 /nfs/dbraw/zinc/70/60/15/1313706015.db2.gz RTYZTKOXSRJXCE-UHFFFAOYSA-N 1 0 337.226 2.792 20 10 EFCDRO COCCCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207532450 1313708709 /nfs/dbraw/zinc/70/87/09/1313708709.db2.gz ZSXGWFVFPQIQHW-KRWDZBQOSA-N 1 0 334.460 2.511 20 10 EFCDRO Cc1cc(C)c(S(=O)(=O)Nc2cccc(N3CC([NH3+])C3)c2)c(C)c1 ZINC001237813891 1313711804 /nfs/dbraw/zinc/71/18/04/1313711804.db2.gz QYAPXUPOARLWAI-UHFFFAOYSA-N 1 0 345.468 2.560 20 10 EFCDRO Cc1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000113327748 1300958412 /nfs/dbraw/zinc/95/84/12/1300958412.db2.gz UHNCHPKQOZBQON-INIZCTEOSA-N 1 0 332.419 2.730 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c1O ZINC001238060575 1313753223 /nfs/dbraw/zinc/75/32/23/1313753223.db2.gz JIIUSSWALPHNBT-PKOBYXMFSA-N 1 0 335.419 3.000 20 10 EFCDRO Cc1cc(F)cc(C[NH+]2CC3(CN(c4ccccc4)C3=O)C2)c1O ZINC001238062861 1313754274 /nfs/dbraw/zinc/75/42/74/1313754274.db2.gz SYZPSMSJPDJGOA-UHFFFAOYSA-N 1 0 326.371 2.689 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c1O ZINC001238066675 1313754687 /nfs/dbraw/zinc/75/46/87/1313754687.db2.gz IQIGIDSNFVAGBW-ZFWWWQNUSA-N 1 0 336.407 2.891 20 10 EFCDRO Cc1cc(F)cc(C[NH+]2CCC(Oc3ncc(F)cn3)CC2)c1O ZINC001238067263 1313755112 /nfs/dbraw/zinc/75/51/12/1313755112.db2.gz MQRXPCJCVBMMQJ-UHFFFAOYSA-N 1 0 335.354 2.812 20 10 EFCDRO COc1ccc(N2CCN(Cc3cccc4c[nH+]cn43)CC2)c(C)c1 ZINC001238115919 1313764423 /nfs/dbraw/zinc/76/44/23/1313764423.db2.gz NVCKUFPJZMDREM-UHFFFAOYSA-N 1 0 336.439 2.974 20 10 EFCDRO O=S(=O)(N[C@@H]1CC[NH2+]C1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238186932 1313780536 /nfs/dbraw/zinc/78/05/36/1313780536.db2.gz BJUVBSPJMNAKSY-AMGRQBIBSA-N 1 0 330.413 2.742 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H](C)OC)C2)cc1C ZINC001207883214 1313795622 /nfs/dbraw/zinc/79/56/22/1313795622.db2.gz DCHRNWNOFZXVET-AEFFLSMTSA-N 1 0 348.487 2.899 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)c2cnco2)cc1C ZINC001037052284 1302006147 /nfs/dbraw/zinc/00/61/47/1302006147.db2.gz WDJWMSNZQZZNST-HOTGVXAUSA-N 1 0 343.427 2.680 20 10 EFCDRO CC(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001018324549 1313813867 /nfs/dbraw/zinc/81/38/67/1313813867.db2.gz ITOBUHXNWCFGEY-IYBDPMFKSA-N 1 0 343.431 2.794 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)cc1F ZINC000796468812 1302060154 /nfs/dbraw/zinc/06/01/54/1302060154.db2.gz JRMGJLSEDPELKL-INIZCTEOSA-N 1 0 348.466 2.662 20 10 EFCDRO Oc1cccc(Br)c1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000862252466 1302321551 /nfs/dbraw/zinc/32/15/51/1302321551.db2.gz UPJYNECZVIULLY-GXTWGEPZSA-N 1 0 344.274 2.861 20 10 EFCDRO CCOCCO[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862252586 1302321975 /nfs/dbraw/zinc/32/19/75/1302321975.db2.gz FTZNXUHGGSEFCF-LBPRGKRZSA-N 1 0 344.249 2.782 20 10 EFCDRO COCCCOCC[N@H+](C)Cc1c(O)cccc1Br ZINC000862303613 1302331793 /nfs/dbraw/zinc/33/17/93/1302331793.db2.gz VOZBHRIXNYNHMY-UHFFFAOYSA-N 1 0 332.238 2.640 20 10 EFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)[C@H]1C ZINC000862338290 1302335872 /nfs/dbraw/zinc/33/58/72/1302335872.db2.gz OLFKCJGCFRFDDP-VHSXEESVSA-N 1 0 328.206 2.538 20 10 EFCDRO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862369910 1302350483 /nfs/dbraw/zinc/35/04/83/1302350483.db2.gz YWHWSOQYWIYTJE-CQSZACIVSA-N 1 0 339.430 2.769 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCN2CC(F)F)c1O ZINC000862468803 1302391896 /nfs/dbraw/zinc/39/18/96/1302391896.db2.gz OXGCPHXOHMMXCF-GFCCVEGCSA-N 1 0 334.794 2.873 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@](O)(c3ccccc3)C1)OCO2 ZINC000862482162 1302393880 /nfs/dbraw/zinc/39/38/80/1302393880.db2.gz DVSIXFKDZVZZQV-IBGZPJMESA-N 1 0 327.380 2.605 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)cc1OC ZINC000862482593 1302396435 /nfs/dbraw/zinc/39/64/35/1302396435.db2.gz JYSXZZSLIJXYDE-HXUWFJFHSA-N 1 0 343.423 2.893 20 10 EFCDRO CC[C@@H]1CN(C(=O)C(F)F)CC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001037759015 1302469032 /nfs/dbraw/zinc/46/90/32/1302469032.db2.gz LZLCNFOFXLZNDV-HUUCEWRRSA-N 1 0 340.414 2.985 20 10 EFCDRO O[C@@H](CNc1ccccc1OC[C@H]1CCCCO1)C[NH+]1CCCC1 ZINC000863556844 1302648458 /nfs/dbraw/zinc/64/84/58/1302648458.db2.gz YAYJZWAFFUOHNP-DLBZAZTESA-N 1 0 334.460 2.503 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000863985783 1302753534 /nfs/dbraw/zinc/75/35/34/1302753534.db2.gz MNEHLEHUERGBNR-UHFFFAOYSA-N 1 0 326.400 2.959 20 10 EFCDRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)C[C@H]1F ZINC001238922442 1313883694 /nfs/dbraw/zinc/88/36/94/1313883694.db2.gz YURRYJINLBVFQS-ZUIHOSHSSA-N 1 0 348.403 2.772 20 10 EFCDRO C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@]2(CCOC2)O1 ZINC000794708794 1303023773 /nfs/dbraw/zinc/02/37/73/1303023773.db2.gz YSYNYKFNWMEKTL-DJJJIMSYSA-N 1 0 335.444 2.775 20 10 EFCDRO CC[C@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1ccc(C)cc1O ZINC000794811241 1303142612 /nfs/dbraw/zinc/14/26/12/1303142612.db2.gz WJHPFPLHHWYDRR-SFHVURJKSA-N 1 0 347.503 2.684 20 10 EFCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc(=O)[nH]c3)cc2F)C[C@@H](C)O1 ZINC000865418365 1303247373 /nfs/dbraw/zinc/24/73/73/1303247373.db2.gz ILIKIENEYUBYIF-ZIAGYGMSSA-N 1 0 345.418 2.830 20 10 EFCDRO CN(C1C[NH2+]C1)S(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001239099056 1313901945 /nfs/dbraw/zinc/90/19/45/1313901945.db2.gz JEAPFUZXZSOISA-VHEBQXMUSA-N 1 0 330.413 2.694 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCc3ccco3)C2)cc1C ZINC001018498302 1313909012 /nfs/dbraw/zinc/90/90/12/1313909012.db2.gz LEUJEGLNEVHHPX-KRWDZBQOSA-N 1 0 342.439 2.920 20 10 EFCDRO C[C@@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)CC1(C)OCCO1 ZINC000865673116 1303360619 /nfs/dbraw/zinc/36/06/19/1303360619.db2.gz STMVREBRRYOPKX-GFCCVEGCSA-N 1 0 328.403 2.910 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3cccc4nccnc43)cc2)CC1 ZINC000865841592 1303424681 /nfs/dbraw/zinc/42/46/81/1303424681.db2.gz YTMCFKRNZVVONB-UHFFFAOYSA-N 1 0 333.439 2.994 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccc(C)n3C)C2)cc1C ZINC001018509932 1313916592 /nfs/dbraw/zinc/91/65/92/1313916592.db2.gz WPDLIJJWJYNHPT-KRWDZBQOSA-N 1 0 341.455 2.655 20 10 EFCDRO [NH3+]CCNC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC001239342195 1313927662 /nfs/dbraw/zinc/92/76/62/1313927662.db2.gz IGPZNESWLPBSIE-UHFFFAOYSA-N 1 0 333.844 2.816 20 10 EFCDRO C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@H+](C)Cc1ccccc1O ZINC000121139659 1303707590 /nfs/dbraw/zinc/70/75/90/1303707590.db2.gz NQMCYIOPGSIQPN-CYBMUJFWSA-N 1 0 327.384 2.561 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC[C@@H]3CCCO3)C2)cc1C ZINC001018552741 1313939034 /nfs/dbraw/zinc/93/90/34/1313939034.db2.gz MMICCJMCJXZDMH-ROUUACIJSA-N 1 0 346.471 2.653 20 10 EFCDRO O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000868278021 1304222304 /nfs/dbraw/zinc/22/23/04/1304222304.db2.gz GPIAEJNXFZAEFH-IRXDYDNUSA-N 1 0 349.394 2.613 20 10 EFCDRO CN(C)c1ccc(C[N@H+](CCC(N)=O)Cc2ccccc2)cc1F ZINC000122095966 1304232743 /nfs/dbraw/zinc/23/27/43/1304232743.db2.gz ASPFJVMVNHQPHV-UHFFFAOYSA-N 1 0 329.419 2.769 20 10 EFCDRO Oc1cc2c(cc1O)C[N@H+](C[C@H]1COC3(CCCCC3)O1)CCC2 ZINC001208642524 1313987478 /nfs/dbraw/zinc/98/74/78/1313987478.db2.gz VEKSPAZWCNKCBG-INIZCTEOSA-N 1 0 333.428 2.922 20 10 EFCDRO CN1CCCc2cc(C[NH+]3CC4(CN(Cc5ccc[nH]5)C4)C3)ccc21 ZINC001276579346 1313996722 /nfs/dbraw/zinc/99/67/22/1313996722.db2.gz WIUJJFUOIFOKSN-UHFFFAOYSA-N 1 0 336.483 2.715 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[C@H]3CCCCO3)C2)cc1C ZINC001018703348 1314009880 /nfs/dbraw/zinc/00/98/80/1314009880.db2.gz TZODIPQYHPPDIG-ZWKOTPCHSA-N 1 0 346.471 2.653 20 10 EFCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001276593267 1314028038 /nfs/dbraw/zinc/02/80/38/1314028038.db2.gz GABPYKGCLOKTCQ-ALOPSCKCSA-N 1 0 349.906 2.891 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccc(F)cn3)C2)cc1C ZINC001018755229 1314033634 /nfs/dbraw/zinc/03/36/34/1314033634.db2.gz QSMILSVWIXDZBI-INIZCTEOSA-N 1 0 343.402 2.542 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3ccoc3)C2)cc1C ZINC001018757990 1314034941 /nfs/dbraw/zinc/03/49/41/1314034941.db2.gz YDHFTLADKAOEOS-KRWDZBQOSA-N 1 0 328.412 2.530 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3c(C)ccn3C)C2)cc1C ZINC001018772057 1314040635 /nfs/dbraw/zinc/04/06/35/1314040635.db2.gz CSVXDKCFMNPDHF-KRWDZBQOSA-N 1 0 341.455 2.655 20 10 EFCDRO CCC(=O)C(C)(C)C[NH+]1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001208921467 1314047307 /nfs/dbraw/zinc/04/73/07/1314047307.db2.gz KGLYDZLOCOCOPW-UHFFFAOYSA-N 1 0 348.487 2.839 20 10 EFCDRO CCC[C@@H](OC)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001208943029 1314053939 /nfs/dbraw/zinc/05/39/39/1314053939.db2.gz NECKWGUAQLUINC-IEBWSBKVSA-N 1 0 348.487 2.899 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@@H]1CCC(C)(C)C1)cc2=O ZINC000796531966 1305969822 /nfs/dbraw/zinc/96/98/22/1305969822.db2.gz NLJITZZYQDBHMI-CYBMUJFWSA-N 1 0 346.431 2.622 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3ccc(C)o3)C2)cc1C ZINC000968445565 1306326599 /nfs/dbraw/zinc/32/65/99/1306326599.db2.gz CRQLWSFUQLGIGB-QGZVFWFLSA-N 1 0 342.439 2.838 20 10 EFCDRO CC[C@H](C)C[NH+]1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001044352892 1306449635 /nfs/dbraw/zinc/44/96/35/1306449635.db2.gz WSWNLDSNXZDGCY-LBPRGKRZSA-N 1 0 331.420 2.651 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc[nH]n3)[C@@H](C)C2)cc1C ZINC001044478921 1306546512 /nfs/dbraw/zinc/54/65/12/1306546512.db2.gz PMNLKAUIFQEWEC-HOCLYGCPSA-N 1 0 342.443 2.510 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc[nH]n3)[C@@H](C)C2)cc1C ZINC001044478919 1306546631 /nfs/dbraw/zinc/54/66/31/1306546631.db2.gz PMNLKAUIFQEWEC-GOEBONIOSA-N 1 0 342.443 2.510 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccon3)[C@H](C)C2)cc1C ZINC001044485498 1306552158 /nfs/dbraw/zinc/55/21/58/1306552158.db2.gz ZYIYYXMHTKBNNN-GDBMZVCRSA-N 1 0 343.427 2.775 20 10 EFCDRO CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968684996 1306565721 /nfs/dbraw/zinc/56/57/21/1306565721.db2.gz LNFJNLKZIJEEMS-DOMZBBRYSA-N 1 0 331.420 2.699 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ncc[nH]3)[C@H](C)C2)cc1C ZINC001044589984 1306641086 /nfs/dbraw/zinc/64/10/86/1306641086.db2.gz UUFOZXLOBJMYLO-GDBMZVCRSA-N 1 0 342.443 2.510 20 10 EFCDRO c1cc(N2CCOCC2)ccc1CN1CC2(CC[N@@H+]2C2CCCC2)C1 ZINC001276635092 1314143326 /nfs/dbraw/zinc/14/33/26/1314143326.db2.gz AXHWQGOEKVOSQO-UHFFFAOYSA-N 1 0 341.499 2.726 20 10 EFCDRO Cc1cc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c(O)cc1Br ZINC001250133980 1315177013 /nfs/dbraw/zinc/17/70/13/1315177013.db2.gz SVDDPDKWVHSAKP-INIZCTEOSA-N 1 0 339.277 2.991 20 10 EFCDRO CC(C)[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC001044879484 1306891092 /nfs/dbraw/zinc/89/10/92/1306891092.db2.gz PKJRFQLUDCBZPB-IUODEOHRSA-N 1 0 331.420 2.840 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3[nH]c(C)cc3C)C2)cc1C ZINC000969107249 1306983294 /nfs/dbraw/zinc/98/32/94/1306983294.db2.gz MFCORQMLXWGUIT-QGZVFWFLSA-N 1 0 341.455 2.953 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)Cc2ccoc2)cc1C ZINC001045007715 1306990471 /nfs/dbraw/zinc/99/04/71/1306990471.db2.gz AMOXMLSHLZEQBC-SFHVURJKSA-N 1 0 342.439 2.920 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CC23CC3)cc1C ZINC001045217155 1307147132 /nfs/dbraw/zinc/14/71/32/1307147132.db2.gz SHGWWFSWZYYYAE-IRXDYDNUSA-N 1 0 328.456 2.884 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)Cc2ccc[nH]2)cc1C ZINC001045318590 1307236467 /nfs/dbraw/zinc/23/64/67/1307236467.db2.gz JQYZMFDPRMEKOL-SFHVURJKSA-N 1 0 341.455 2.655 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(CN2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC001209516452 1314178568 /nfs/dbraw/zinc/17/85/68/1314178568.db2.gz GYSNBHYACFYRSO-FQEVSTJZSA-N 1 0 327.472 2.857 20 10 EFCDRO COc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1F ZINC000800225811 1307587383 /nfs/dbraw/zinc/58/73/83/1307587383.db2.gz XBDRPDWTVQVPRD-UHFFFAOYSA-N 1 0 330.403 2.961 20 10 EFCDRO COc1cccc(C[NH2+]CCCNC(=O)/C=C\c2ccccc2)c1O ZINC000800313002 1307691102 /nfs/dbraw/zinc/69/11/02/1307691102.db2.gz ZKDNUHFHJJBVCA-QXMHVHEDSA-N 1 0 340.423 2.710 20 10 EFCDRO CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001019174206 1314206766 /nfs/dbraw/zinc/20/67/66/1314206766.db2.gz OWQOWZYNZMEJIT-KSZLIROESA-N 1 0 346.471 2.509 20 10 EFCDRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)nn1C ZINC000800475278 1307921527 /nfs/dbraw/zinc/92/15/27/1307921527.db2.gz USENRKDJKBTCJO-HOTGVXAUSA-N 1 0 328.460 2.977 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc(C)co3)C2)cc1C ZINC001019267861 1314246707 /nfs/dbraw/zinc/24/67/07/1314246707.db2.gz LMDXCGLPPAAVKQ-INIZCTEOSA-N 1 0 328.412 2.909 20 10 EFCDRO Cc1ccc(C)c(C[NH+]2CC3(C[C@@H]3C(=O)N3CCCC34CC4)C2)c1O ZINC001278357149 1314254646 /nfs/dbraw/zinc/25/46/46/1314254646.db2.gz FWNUBEIIXZOWFI-QGZVFWFLSA-N 1 0 340.467 2.986 20 10 EFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CCCCO2)c1O ZINC001278357446 1314255828 /nfs/dbraw/zinc/25/58/28/1314255828.db2.gz JERABVYJGNCWBF-BEFAXECRSA-N 1 0 330.428 2.527 20 10 EFCDRO CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009673243 1308604367 /nfs/dbraw/zinc/60/43/67/1308604367.db2.gz OFOYLVGKCTZFPN-HNNXBMFYSA-N 1 0 331.420 2.843 20 10 EFCDRO C[C@H](F)CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009672617 1308604472 /nfs/dbraw/zinc/60/44/72/1308604472.db2.gz MIPLOQZOQNIZBU-WFASDCNBSA-N 1 0 349.410 2.791 20 10 EFCDRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000800896410 1308636063 /nfs/dbraw/zinc/63/60/63/1308636063.db2.gz IZEDFERMEWNIEX-OAQYLSRUSA-N 1 0 340.467 2.963 20 10 EFCDRO COc1cccc(O)c1C[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000800902060 1308648569 /nfs/dbraw/zinc/64/85/69/1308648569.db2.gz TUKNQIBHLCPORL-HNNXBMFYSA-N 1 0 341.411 2.797 20 10 EFCDRO CCc1nocc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001019344790 1314284466 /nfs/dbraw/zinc/28/44/66/1314284466.db2.gz FVCDXYXVMHMQBE-HNNXBMFYSA-N 1 0 343.427 2.558 20 10 EFCDRO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2ccc(CO)nc2)n1C ZINC001243467035 1314289210 /nfs/dbraw/zinc/28/92/10/1314289210.db2.gz LPYLBNXSQRZXFS-UHFFFAOYSA-N 1 0 325.368 2.613 20 10 EFCDRO C[C@@H](F)CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046869995 1309578292 /nfs/dbraw/zinc/57/82/92/1309578292.db2.gz RWOOEANHSRFNKE-PXAZEXFGSA-N 1 0 349.410 2.791 20 10 EFCDRO COC[C@@H](C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001210417239 1314330605 /nfs/dbraw/zinc/33/06/05/1314330605.db2.gz OJONFZZLTSYFPH-YJBOKZPZSA-N 1 0 348.487 2.757 20 10 EFCDRO COC[C@H](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001210417236 1314330648 /nfs/dbraw/zinc/33/06/48/1314330648.db2.gz OJONFZZLTSYFPH-CRAIPNDOSA-N 1 0 348.487 2.757 20 10 EFCDRO CCCCN(CCCC)c1ccc(CN2CC[NH2+]C[C@@H](O)C2)c(O)c1 ZINC001210476129 1314338929 /nfs/dbraw/zinc/33/89/29/1314338929.db2.gz SDXDFMOCMWDEOZ-LJQANCHMSA-N 1 0 349.519 2.565 20 10 EFCDRO Oc1ccc(OCc2ccccc2)cc1CN1CC[NH2+]C[C@@H](F)C1 ZINC001210610252 1314359637 /nfs/dbraw/zinc/35/96/37/1314359637.db2.gz LJOVZIJIQNPYNB-QGZVFWFLSA-N 1 0 330.403 2.715 20 10 EFCDRO CCCC[N@H+](Cc1cc(=O)n2nccc2[nH]1)Cc1ccccc1O ZINC000801595496 1310571573 /nfs/dbraw/zinc/57/15/73/1310571573.db2.gz DPKWTGSBWJAJGF-UHFFFAOYSA-N 1 0 326.400 2.531 20 10 EFCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000801595344 1310571731 /nfs/dbraw/zinc/57/17/31/1310571731.db2.gz MCRLZSDXXYGRGM-HNNXBMFYSA-N 1 0 349.475 2.865 20 10 EFCDRO Cc1cc(Br)cc(CN2CCC[C@@]3(CC[NH2+]3)C2)c1O ZINC001222287206 1311110332 /nfs/dbraw/zinc/11/03/32/1311110332.db2.gz CSRGXYVVMNCSLE-OAHLLOKOSA-N 1 0 325.250 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)c3ccc[nH]3)C2)cc1C ZINC001047719409 1311112929 /nfs/dbraw/zinc/11/29/29/1311112929.db2.gz FPXYYNGIKQYXJB-WBVHZDCISA-N 1 0 341.455 2.972 20 10 EFCDRO Cc1cc(CN2CC[C@]3(CCC[NH2+]3)C2)c(O)cc1Br ZINC001222477617 1311138466 /nfs/dbraw/zinc/13/84/66/1311138466.db2.gz OCXFFHTZEBLJDY-OAHLLOKOSA-N 1 0 325.250 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)c3ccon3)C2)cc1C ZINC001047745368 1311139424 /nfs/dbraw/zinc/13/94/24/1311139424.db2.gz VXZPFSSKKHDYMM-GDBMZVCRSA-N 1 0 343.427 2.632 20 10 EFCDRO O=c1cc(-c2cnn(CC[NH+]3CCCC3)c2)ccn1Cc1ccccc1 ZINC001222493044 1311140555 /nfs/dbraw/zinc/14/05/55/1311140555.db2.gz GWCYPEKEJSWRHX-UHFFFAOYSA-N 1 0 348.450 2.856 20 10 EFCDRO CC[N@H+](CC(=O)N(C)C)Cc1ccc(OCc2ccccc2)cc1O ZINC000753535111 1311172164 /nfs/dbraw/zinc/17/21/64/1311172164.db2.gz IAEBVDQTWQVKHT-UHFFFAOYSA-N 1 0 342.439 2.881 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)c3cnco3)C2)cc1C ZINC001047922249 1311292138 /nfs/dbraw/zinc/29/21/38/1311292138.db2.gz VDKIDVAIQJOMRQ-HOCLYGCPSA-N 1 0 343.427 2.632 20 10 EFCDRO COc1ccc(N2CCC[C@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2)cc1 ZINC001276925279 1311310554 /nfs/dbraw/zinc/31/05/54/1311310554.db2.gz ZVXIDLDYBYBOCR-LJQANCHMSA-N 1 0 326.444 2.911 20 10 EFCDRO CCOc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cc(C)nn2C)cc1 ZINC001276925989 1311311415 /nfs/dbraw/zinc/31/14/15/1311311415.db2.gz LEXOEBMGUJDAIC-PMACEKPBSA-N 1 0 340.471 2.980 20 10 EFCDRO CCOc1ccc(N2CCC[C@@]3(CC[N@H+](CCN(C)C)C3)C2)cc1 ZINC001276926231 1311311628 /nfs/dbraw/zinc/31/16/28/1311311628.db2.gz OVTJXBZOWMGAAU-FQEVSTJZSA-N 1 0 331.504 2.939 20 10 EFCDRO CCOc1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C)nn2C)cc1 ZINC001276926739 1311312784 /nfs/dbraw/zinc/31/27/84/1311312784.db2.gz WISJDNWFPNRSOV-HDICACEKSA-N 1 0 340.471 2.980 20 10 EFCDRO CCn1ccnc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(OC)cc1 ZINC001276927982 1311314392 /nfs/dbraw/zinc/31/43/92/1311314392.db2.gz WXYZVWWMLCGRTA-ROUUACIJSA-N 1 0 326.444 2.765 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CC=CC3)CC2)cc1 ZINC001276958065 1311362947 /nfs/dbraw/zinc/36/29/47/1311362947.db2.gz DJUKZQFASILROA-IBGZPJMESA-N 1 0 339.483 2.753 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CC=CC2)cc1 ZINC001276966761 1311380966 /nfs/dbraw/zinc/38/09/66/1311380966.db2.gz CTYUUDIYQWZZBD-GHTZIAJQSA-N 1 0 339.483 2.896 20 10 EFCDRO CNc1ccccc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000902077190 1311392913 /nfs/dbraw/zinc/39/29/13/1311392913.db2.gz DRBSCKMLUXEAKB-UHFFFAOYSA-N 1 0 329.419 2.994 20 10 EFCDRO C[C@H]([NH2+]CC1CC1)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001048067736 1311426333 /nfs/dbraw/zinc/42/63/33/1311426333.db2.gz BKZCTJLAPHPOOW-SWLSCSKDSA-N 1 0 343.431 2.699 20 10 EFCDRO COc1ccc(N2CC3(C2)CC[N@H+](Cc2ccc[nH]2)C3)c(OC)c1 ZINC001276995068 1311431574 /nfs/dbraw/zinc/43/15/74/1311431574.db2.gz WMCKNQFUSXRKLD-UHFFFAOYSA-N 1 0 327.428 2.744 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CC3CC3)C[C@H]2C)cc1C ZINC001048097333 1311453734 /nfs/dbraw/zinc/45/37/34/1311453734.db2.gz FUZLZAHXCXDRFB-CRAIPNDOSA-N 1 0 330.472 2.988 20 10 EFCDRO COc1ccc(N2C[C@@H]3CC[N@@H+](CCN(C)C)CC[C@@H]3C2)cc1F ZINC001277010348 1311457021 /nfs/dbraw/zinc/45/70/21/1311457021.db2.gz SRMJINFYVZXDAH-IYBDPMFKSA-N 1 0 335.467 2.544 20 10 EFCDRO COCCOCN1CC[C@]2(C1)CCCN(c1ccc(OC)cc1C)C2 ZINC001277019263 1311474918 /nfs/dbraw/zinc/47/49/18/1311474918.db2.gz XZLGMGZEEMGNAD-FQEVSTJZSA-N 1 0 348.487 2.916 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C)OC)cc1C ZINC001225129427 1311479849 /nfs/dbraw/zinc/47/98/49/1311479849.db2.gz VBYCMRZRDOCZLF-DJIMGWMZSA-N 1 0 334.460 2.556 20 10 EFCDRO COc1ccc(N2CC3(C2)CC[N@H+](Cc2cc(C)nn2C)C3)c(C)c1 ZINC001277021785 1311484781 /nfs/dbraw/zinc/48/47/81/1311484781.db2.gz GYNOUKPAHPQCNQ-UHFFFAOYSA-N 1 0 340.471 2.758 20 10 EFCDRO CCOCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001225324131 1311507907 /nfs/dbraw/zinc/50/79/07/1311507907.db2.gz QXYLYUZSPFSQQT-QZTJIDSGSA-N 1 0 348.487 2.947 20 10 EFCDRO O=C(c1ccccc1Nc1ccc2c(c1)CCCN2)N1CC[NH2+]CC1 ZINC001159554451 1311540635 /nfs/dbraw/zinc/54/06/35/1311540635.db2.gz CNVLEKXUVBIGSG-UHFFFAOYSA-N 1 0 336.439 2.834 20 10 EFCDRO Nc1cccc2c1C(=O)c1cccc(NC3=C[C@H]4CC[C@@H](C3)[NH2+]4)c1C2=O ZINC001159782904 1311583595 /nfs/dbraw/zinc/58/35/95/1311583595.db2.gz MYAQCTBTSQSURQ-NEPJUHHUSA-N 1 0 345.402 2.864 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC(C)(C)O)cc1C ZINC001225985548 1311598025 /nfs/dbraw/zinc/59/80/25/1311598025.db2.gz CGLUUJBBLRHWIL-IAGOWNOFSA-N 1 0 348.487 2.682 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cnc(C3CC3)o2)cc1C ZINC001160171919 1311660000 /nfs/dbraw/zinc/66/00/00/1311660000.db2.gz HEMQSSXHEGVEOH-UHFFFAOYSA-N 1 0 343.427 2.779 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3(CF)CC3)C[C@H]2C)cc1C ZINC001048378022 1311724371 /nfs/dbraw/zinc/72/43/71/1311724371.db2.gz GLSPDTUIUSRHOO-NVXWUHKLSA-N 1 0 348.462 2.937 20 10 EFCDRO C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C[NH2+]CC1CC1 ZINC001048477469 1311808306 /nfs/dbraw/zinc/80/83/06/1311808306.db2.gz CSGDRHXLBFBDRR-WFASDCNBSA-N 1 0 343.431 2.557 20 10 EFCDRO CN1CCCc2cc(C[NH+]3CCC4(C=C(C(N)=O)CC4)CC3)ccc21 ZINC001277253562 1311875213 /nfs/dbraw/zinc/87/52/13/1311875213.db2.gz GHHGJHBBFXEBES-UHFFFAOYSA-N 1 0 339.483 2.857 20 10 EFCDRO CN1CCCc2cc(C[N@@H+]3CC[C@]4(CCC[C@H]4C(N)=O)C3)ccc21 ZINC001277253785 1311875557 /nfs/dbraw/zinc/87/55/57/1311875557.db2.gz JOPVTQAHYHOTFN-FXAWDEMLSA-N 1 0 327.472 2.547 20 10 EFCDRO COCCO[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000802652410 1311886448 /nfs/dbraw/zinc/88/64/48/1311886448.db2.gz FVUAFKMLLYNNKK-CQSZACIVSA-N 1 0 329.824 2.682 20 10 EFCDRO CC[N@@H+]1CC[C@@H](Oc2c(O)c(O)ccc2C(=O)c2ccc(O)cc2)C1 ZINC001228112798 1311901367 /nfs/dbraw/zinc/90/13/67/1311901367.db2.gz AOFHOTKTHVGTFB-CQSZACIVSA-N 1 0 343.379 2.507 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccc(C)c(C)n2)cc1C ZINC001162622665 1312137866 /nfs/dbraw/zinc/13/78/66/1312137866.db2.gz RHSVYZYUJBYSHM-UHFFFAOYSA-N 1 0 341.455 2.925 20 10 EFCDRO Cc1c(O)cc2c(c1O[C@@H](C)C[NH+](C)C)C(=O)c1ccccc1C2=O ZINC001229828777 1312146471 /nfs/dbraw/zinc/14/64/71/1312146471.db2.gz GNOKFKGJTBEKDI-NSHDSACASA-N 1 0 339.391 2.805 20 10 EFCDRO O=C(NC1CCC(F)CC1)[C@]12C[C@H]1CC[N@H+]2Cc1ccccc1O ZINC001277440800 1312174662 /nfs/dbraw/zinc/17/46/62/1312174662.db2.gz FLZNNRAQFWPRBW-XTUQQUOLSA-N 1 0 332.419 2.754 20 10 EFCDRO CCN(C(=O)[C@@H]1CCSC12C[NH+](Cc1ccccc1O)C2)C(C)C ZINC001277442236 1312177726 /nfs/dbraw/zinc/17/77/26/1312177726.db2.gz UMZBGGHFCFVKLI-INIZCTEOSA-N 1 0 348.512 2.957 20 10 EFCDRO O=C(NCC(F)F)[C@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001277442244 1312178215 /nfs/dbraw/zinc/17/82/15/1312178215.db2.gz UVZAFNQURLHCSW-RDTXWAMCSA-N 1 0 338.398 2.766 20 10 EFCDRO O=C(Nc1cn[nH]c1)[C@@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001277442779 1312179507 /nfs/dbraw/zinc/17/95/07/1312179507.db2.gz ZSIDHFGXXGEWJQ-QFBILLFUSA-N 1 0 340.427 2.746 20 10 EFCDRO [NH3+][C@@H]1Cc2ccccc2N(c2ccc3c(c2)C2(CCOCC2)C(=O)N3)C1 ZINC001162853320 1312190129 /nfs/dbraw/zinc/19/01/29/1312190129.db2.gz HHPJPIJHCICYDT-OAHLLOKOSA-N 1 0 349.434 2.708 20 10 EFCDRO O=C([C@@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1O)C2)N1CC=CC1 ZINC001277446334 1312191884 /nfs/dbraw/zinc/19/18/84/1312191884.db2.gz OECWULUONYTHNN-FXAWDEMLSA-N 1 0 326.440 2.783 20 10 EFCDRO CCN(C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1cccc(OC)c1O)C(C)C ZINC001277452301 1312215923 /nfs/dbraw/zinc/21/59/23/1312215923.db2.gz RPZPLHVNCDRXAN-BEFAXECRSA-N 1 0 332.444 2.622 20 10 EFCDRO CCOc1cccc(C[NH+]2CC3(C[C@H]3C(=O)N(CC)C(C)C)C2)c1O ZINC001277453733 1312225194 /nfs/dbraw/zinc/22/51/94/1312225194.db2.gz HMAACPLFZQPHLE-INIZCTEOSA-N 1 0 346.471 2.870 20 10 EFCDRO COc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NC(C)(C)C)CC2)c(O)c1 ZINC001277454603 1312230842 /nfs/dbraw/zinc/23/08/42/1312230842.db2.gz WOKSUUMYRAIVBG-MRXNPFEDSA-N 1 0 346.471 2.918 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC3(C=C(C(N)=O)CC3)CC2)c1O ZINC001277454558 1312230957 /nfs/dbraw/zinc/23/09/57/1312230957.db2.gz WEDGONYSWRYVDP-UHFFFAOYSA-N 1 0 330.428 2.579 20 10 EFCDRO CCOc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NC(C)(C)C)C2)c1O ZINC001277454707 1312231744 /nfs/dbraw/zinc/23/17/44/1312231744.db2.gz YAHBPJZLZKRGJY-AUUYWEPGSA-N 1 0 332.444 2.528 20 10 EFCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)C(F)F)CC2)cc1C ZINC001163098550 1312240572 /nfs/dbraw/zinc/24/05/72/1312240572.db2.gz VQBYIDJVUBQEFS-UHFFFAOYSA-N 1 0 326.387 2.645 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CCCC23CC3)c(O)c1 ZINC001277456963 1312247064 /nfs/dbraw/zinc/24/70/64/1312247064.db2.gz KUIFQDHDFQOOBD-QRWLVFNGSA-N 1 0 342.439 2.520 20 10 EFCDRO COC(=O)CC1C[NH+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001231468091 1312505388 /nfs/dbraw/zinc/50/53/88/1312505388.db2.gz BFNLNFNXKZCQPZ-UHFFFAOYSA-N 1 0 341.407 2.966 20 10 EFCDRO CCOC1CC(CC(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001164469528 1312520119 /nfs/dbraw/zinc/52/01/19/1312520119.db2.gz FOKFVXXMLZPWDW-UHFFFAOYSA-N 1 0 348.487 2.805 20 10 EFCDRO Cc1cnc(N2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)nc1 ZINC001231589607 1312528595 /nfs/dbraw/zinc/52/85/95/1312528595.db2.gz MNGSLUVQSQYMOS-UHFFFAOYSA-N 1 0 334.423 2.966 20 10 EFCDRO Cc1cccc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c1O ZINC001231591051 1312528983 /nfs/dbraw/zinc/52/89/83/1312528983.db2.gz REMBDEQMLQESAJ-UHFFFAOYSA-N 1 0 340.423 2.747 20 10 EFCDRO COc1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(O)cc1O ZINC001231634508 1312535863 /nfs/dbraw/zinc/53/58/63/1312535863.db2.gz OFDDVHOOPXXTCD-UHFFFAOYSA-N 1 0 332.375 2.568 20 10 EFCDRO COc1cc(CN(CC[NH+](C)C)Cc2ccccc2)c(O)cc1O ZINC001231632630 1312536052 /nfs/dbraw/zinc/53/60/52/1312536052.db2.gz BVRPEHJPHSGVNK-UHFFFAOYSA-N 1 0 330.428 2.670 20 10 EFCDRO COc1cc(CN2CC[NH+](CC3CCCCC3)CC2)c(O)cc1O ZINC001231634606 1312536350 /nfs/dbraw/zinc/53/63/50/1312536350.db2.gz PQXMPVUHWWLPSU-UHFFFAOYSA-N 1 0 334.460 2.804 20 10 EFCDRO COc1cc(C[NH+]2CCC(Oc3cccnc3)CC2)c(O)cc1O ZINC001231636002 1312536953 /nfs/dbraw/zinc/53/69/53/1312536953.db2.gz NSYHQPZPPXGQGB-UHFFFAOYSA-N 1 0 330.384 2.545 20 10 EFCDRO COc1cc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c(O)cc1O ZINC001231636564 1312536959 /nfs/dbraw/zinc/53/69/59/1312536959.db2.gz YFSCFFYPVOMPDL-UHFFFAOYSA-N 1 0 337.416 2.660 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231636023 1312537016 /nfs/dbraw/zinc/53/70/16/1312537016.db2.gz OMHXGAVERXAPPV-GFCCVEGCSA-N 1 0 337.416 2.660 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H](OCc3ccccc3)C2)c(O)cc1O ZINC001231636362 1312537101 /nfs/dbraw/zinc/53/71/01/1312537101.db2.gz TWPGFBSKLWRAQI-INIZCTEOSA-N 1 0 329.396 2.898 20 10 EFCDRO CCCc1noc(C2CC[NH+](Cc3cc(OC)c(O)cc3O)CC2)n1 ZINC001231637440 1312537367 /nfs/dbraw/zinc/53/73/67/1312537367.db2.gz MQLOUCXETGEYDI-UHFFFAOYSA-N 1 0 347.415 2.822 20 10 EFCDRO CCCc1noc([C@@H]2CCC[N@H+](Cc3cc(OC)c(O)cc3O)C2)n1 ZINC001231636983 1312537423 /nfs/dbraw/zinc/53/74/23/1312537423.db2.gz CGQDGPACYKQIEY-GFCCVEGCSA-N 1 0 347.415 2.822 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)c(O)cc1O ZINC001231640169 1312537951 /nfs/dbraw/zinc/53/79/51/1312537951.db2.gz PRLOWASCXGDOIM-HNNXBMFYSA-N 1 0 330.384 2.545 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231639279 1312538114 /nfs/dbraw/zinc/53/81/14/1312538114.db2.gz NTUDCUZDOFDCTF-GFCCVEGCSA-N 1 0 337.416 2.660 20 10 EFCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC001231655001 1312541700 /nfs/dbraw/zinc/54/17/00/1312541700.db2.gz YRNCFBZGYFUSFG-UHFFFAOYSA-N 1 0 341.455 2.949 20 10 EFCDRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1ccc2ccccc2c1O ZINC000903291168 1312541800 /nfs/dbraw/zinc/54/18/00/1312541800.db2.gz QHSQHFSKDYPWOH-CQSZACIVSA-N 1 0 348.468 2.622 20 10 EFCDRO Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCO3)CC2)c(O)c1 ZINC001277566438 1312565702 /nfs/dbraw/zinc/56/57/02/1312565702.db2.gz HUWWLGZMVNYWNO-QGZVFWFLSA-N 1 0 344.455 2.857 20 10 EFCDRO Cc1ccc(C[NH+]2CC3(C[C@H]3C(=O)N3CCCC34CC4)C2)c(O)c1 ZINC001277569197 1312568572 /nfs/dbraw/zinc/56/85/72/1312568572.db2.gz YCIMVOJOKJSCBL-INIZCTEOSA-N 1 0 326.440 2.678 20 10 EFCDRO Cc1cc(C)c(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)c(O)c1 ZINC001231844632 1312573104 /nfs/dbraw/zinc/57/31/04/1312573104.db2.gz KOPSLTRLAVDDNK-PHZGNYQRSA-N 1 0 328.456 2.746 20 10 EFCDRO Cc1cc(C)c(C[NH+]2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)c(O)c1 ZINC001231845106 1312573252 /nfs/dbraw/zinc/57/32/52/1312573252.db2.gz VLINMDMIFJEROD-QZTJIDSGSA-N 1 0 337.467 2.968 20 10 EFCDRO Cc1cc(C)c(C[NH+]2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001231845055 1312573754 /nfs/dbraw/zinc/57/37/54/1312573754.db2.gz WPWWGAUUEFXGDY-OALUTQOASA-N 1 0 337.467 2.968 20 10 EFCDRO Cc1cc(C)c(C[NH+]2CCN(c3cc(C)nc(C)n3)CC2)c(O)c1 ZINC001231845720 1312573765 /nfs/dbraw/zinc/57/37/65/1312573765.db2.gz RDXFAUFSIZKZKN-UHFFFAOYSA-N 1 0 326.444 2.738 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001231849488 1312574091 /nfs/dbraw/zinc/57/40/91/1312574091.db2.gz UQLLIYWMZBXZKH-OAHLLOKOSA-N 1 0 332.366 2.508 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@]2(C1)CCCCN2C(C)=O ZINC001231851624 1312574163 /nfs/dbraw/zinc/57/41/63/1312574163.db2.gz FKGRZAKYPRDLHN-FQEVSTJZSA-N 1 0 345.487 2.738 20 10 EFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(c2ccn(C)n2)CC1 ZINC001231858105 1312575452 /nfs/dbraw/zinc/57/54/52/1312575452.db2.gz SPHKIDJFYOXZLZ-UHFFFAOYSA-N 1 0 328.460 2.874 20 10 EFCDRO CCC1=NC2(CC[NH+](Cc3cc(Cl)c(C)cc3O)CC2)C(=O)N1C ZINC001231871502 1312578017 /nfs/dbraw/zinc/57/80/17/1312578017.db2.gz MELWBMZTWZJRLG-UHFFFAOYSA-N 1 0 349.862 2.969 20 10 EFCDRO COc1cnc(O[C@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)nc1 ZINC001231871956 1312578469 /nfs/dbraw/zinc/57/84/69/1312578469.db2.gz SELCNOFFTFUOEU-ZDUSSCGKSA-N 1 0 349.818 2.806 20 10 EFCDRO CC[NH+](CC)CCN1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC001231910145 1312586373 /nfs/dbraw/zinc/58/63/73/1312586373.db2.gz WCGFKAPITVDBRK-UHFFFAOYSA-N 1 0 325.884 2.505 20 10 EFCDRO CC[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ccc(C)cc1O ZINC000903372598 1312608193 /nfs/dbraw/zinc/60/81/93/1312608193.db2.gz LHNPMVBRHNHTKS-MRXNPFEDSA-N 1 0 335.444 2.790 20 10 EFCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(O)CCC3(CC2)OCCO3)c(O)c1 ZINC000903373221 1312608678 /nfs/dbraw/zinc/60/86/78/1312608678.db2.gz TTZCEMSYUUQCIN-HNNXBMFYSA-N 1 0 335.444 2.708 20 10 EFCDRO C[C@@H]([NH2+]CC[C@H](O)C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000903404893 1312636640 /nfs/dbraw/zinc/63/66/40/1312636640.db2.gz AKFZVVLMNFWKSY-ACJLOTCBSA-N 1 0 338.879 2.988 20 10 EFCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@@H]1O ZINC001232195190 1312646015 /nfs/dbraw/zinc/64/60/15/1312646015.db2.gz RIRPGZZGIAADPC-KSSFIOAISA-N 1 0 338.879 2.769 20 10 EFCDRO Clc1cc(C[NH+]2CCC3(CCO3)CC2)ccc1N1CCOCC1 ZINC001232200214 1312646791 /nfs/dbraw/zinc/64/67/91/1312646791.db2.gz QEYXXSSOPOSLTO-UHFFFAOYSA-N 1 0 336.863 2.932 20 10 EFCDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232199095 1312646796 /nfs/dbraw/zinc/64/67/96/1312646796.db2.gz CGCXXVSRBCEEQQ-QGZVFWFLSA-N 1 0 338.879 2.912 20 10 EFCDRO CN1CCC([N@H+](C)Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232196628 1312646857 /nfs/dbraw/zinc/64/68/57/1312646857.db2.gz DIGUJOOSHVTGIO-UHFFFAOYSA-N 1 0 337.895 2.703 20 10 EFCDRO CCC1(O)CC[NH+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232200738 1312646986 /nfs/dbraw/zinc/64/69/86/1312646986.db2.gz YHOWKVXVRHDCEF-UHFFFAOYSA-N 1 0 338.879 2.914 20 10 EFCDRO Clc1cc(C[NH+]2CC3(C2)CCOCC3)ccc1N1CCOCC1 ZINC001232198893 1312647076 /nfs/dbraw/zinc/64/70/76/1312647076.db2.gz LZPQDCKNPGSGJD-UHFFFAOYSA-N 1 0 336.863 2.789 20 10 EFCDRO C[C@]1(O)CCCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232195664 1312647158 /nfs/dbraw/zinc/64/71/58/1312647158.db2.gz XHTNTPSRXGVONF-SFHVURJKSA-N 1 0 338.879 2.914 20 10 EFCDRO CC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232200058 1312647211 /nfs/dbraw/zinc/64/72/11/1312647211.db2.gz OGQCLNYRTRTQMM-INIZCTEOSA-N 1 0 336.863 2.978 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CCC[C@@H]1O ZINC001232195851 1312647288 /nfs/dbraw/zinc/64/72/88/1312647288.db2.gz ZMZGPVUHOLBCQD-KSSFIOAISA-N 1 0 338.879 2.769 20 10 EFCDRO O=C1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@@H]12 ZINC001232204345 1312648938 /nfs/dbraw/zinc/64/89/38/1312648938.db2.gz LIUUDTCMNDVBCW-HZPDHXFCSA-N 1 0 348.874 2.978 20 10 EFCDRO CC(=O)N1CCCC[C@@]12CC[N@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232261137 1312661220 /nfs/dbraw/zinc/66/12/20/1312661220.db2.gz DCEHRVNDMBTPLY-KRWDZBQOSA-N 1 0 338.835 2.728 20 10 EFCDRO Cc1cncnc1O[C@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232265714 1312661822 /nfs/dbraw/zinc/66/18/22/1312661822.db2.gz OUYAGXJAMMSWFF-LBPRGKRZSA-N 1 0 335.791 2.503 20 10 EFCDRO Cc1ccnc(O[C@H]2CC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)n1 ZINC001232264607 1312661851 /nfs/dbraw/zinc/66/18/51/1312661851.db2.gz JTOJZDTWRQRWBB-LBPRGKRZSA-N 1 0 335.791 2.503 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(NC(=O)C(C)C)CC2)cc1Cl ZINC001232264834 1312662101 /nfs/dbraw/zinc/66/21/01/1312662101.db2.gz MVPMXQAPTBMVFK-UHFFFAOYSA-N 1 0 340.851 2.791 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC(Oc3ccncn3)CC2)cc1Cl ZINC001232266731 1312662224 /nfs/dbraw/zinc/66/22/24/1312662224.db2.gz XRJJDMCCVHKLJY-UHFFFAOYSA-N 1 0 335.791 2.585 20 10 EFCDRO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232264638 1312662367 /nfs/dbraw/zinc/66/23/67/1312662367.db2.gz KQVOQAASGVLEMZ-LLVKDONJSA-N 1 0 327.808 2.916 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC3(CCOC3=O)CC2)cc1Cl ZINC001232267912 1312663162 /nfs/dbraw/zinc/66/31/62/1312663162.db2.gz JTNQNWIFSJAJEL-UHFFFAOYSA-N 1 0 325.792 2.583 20 10 EFCDRO CC(C)CC(=O)NC1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232267748 1312663166 /nfs/dbraw/zinc/66/31/66/1312663166.db2.gz KWSDDFQQJZGCAC-UHFFFAOYSA-N 1 0 340.851 2.878 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCC3(C2)OCCO3)cc1Cl ZINC001232271127 1312663617 /nfs/dbraw/zinc/66/36/17/1312663617.db2.gz NXEWPFRGYOAOKG-GFCCVEGCSA-N 1 0 327.808 2.782 20 10 EFCDRO Fc1cc(N2CCOCC2)ccc1C1=CC[C@H]([NH+]2CCOCC2)CC1 ZINC001245423326 1314487973 /nfs/dbraw/zinc/48/79/73/1314487973.db2.gz BJMDVDZTTBJABK-KRWDZBQOSA-N 1 0 346.446 2.930 20 10 EFCDRO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2ccc3nncn3c2)n1C ZINC001245658971 1314521541 /nfs/dbraw/zinc/52/15/41/1314521541.db2.gz CBHYBLPPHCYYSU-UHFFFAOYSA-N 1 0 335.367 2.768 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC3CC3)CC2)cc1 ZINC001052965125 1314523771 /nfs/dbraw/zinc/52/37/71/1314523771.db2.gz LMPSPPRDHDHPNX-OAHLLOKOSA-N 1 0 343.431 2.843 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cnc(C)s3)C2)cc1C ZINC001020018705 1314572192 /nfs/dbraw/zinc/57/21/92/1314572192.db2.gz FGSNJMUKFLXGGE-SHTZXODSSA-N 1 0 345.468 2.819 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3coc(C)c3)C2)cc1C ZINC001020106819 1314613286 /nfs/dbraw/zinc/61/32/86/1314613286.db2.gz ZLFUJDFNJYNYBB-QAQDUYKDSA-N 1 0 328.412 2.956 20 10 EFCDRO CC(C)NC(=O)N1CCC12C[NH+](Cc1ccc3ccccc3c1O)C2 ZINC001276374596 1314622913 /nfs/dbraw/zinc/62/29/13/1314622913.db2.gz ZRGDYGODEUROQV-UHFFFAOYSA-N 1 0 339.439 2.924 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCCC(C)=O)C[C@H]2C)cc1C ZINC001214142313 1314649880 /nfs/dbraw/zinc/64/98/80/1314649880.db2.gz XHTLLIOGYBIWPK-CRAIPNDOSA-N 1 0 346.471 2.699 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CC[C@@H](C)OC)C[C@H]2C)cc1C ZINC001214489042 1314698742 /nfs/dbraw/zinc/69/87/42/1314698742.db2.gz XUKYOASQBHFZQO-JFIYKMOQSA-N 1 0 348.487 2.755 20 10 EFCDRO COc1ccc(N2CCN([C@H]3CC[NH2+][C@@H](C(C)C)C3)CC2)c(C)c1 ZINC001246935072 1314710223 /nfs/dbraw/zinc/71/02/23/1314710223.db2.gz QGAFGACWKQJRGJ-PKOBYXMFSA-N 1 0 331.504 2.902 20 10 EFCDRO C[C@@H]1CC[C@@H](N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C[NH2+]1 ZINC001246997194 1314727048 /nfs/dbraw/zinc/72/70/48/1314727048.db2.gz ROMGJOLNJMTKKB-UKRRQHHQSA-N 1 0 343.393 2.848 20 10 EFCDRO C[C@@H]1C[C@@H](N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246997985 1314727308 /nfs/dbraw/zinc/72/73/08/1314727308.db2.gz WUMJYLAAWVXAKT-HIFRSBDPSA-N 1 0 343.393 2.848 20 10 EFCDRO c1ccc(COc2ccc(N3CCN([C@@H]4CC[NH2+]C4)CC3)cc2)cc1 ZINC001246999726 1314728338 /nfs/dbraw/zinc/72/83/38/1314728338.db2.gz GHRDPJVFMJAJMT-HXUWFJFHSA-N 1 0 337.467 2.750 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[C@H](OC)C3)C2)cc1C ZINC001020323901 1314733198 /nfs/dbraw/zinc/73/31/98/1314733198.db2.gz RXBVPIMLWLVHEH-TVFCKZIOSA-N 1 0 346.471 2.556 20 10 EFCDRO CCC[C@H](OC)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001215305507 1314812450 /nfs/dbraw/zinc/81/24/50/1314812450.db2.gz MQOGDISVAPJREY-SUMDDJOVSA-N 1 0 348.487 2.755 20 10 EFCDRO CCC[C@@H](OC)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001215305508 1314812662 /nfs/dbraw/zinc/81/26/62/1314812662.db2.gz MQOGDISVAPJREY-SZVBFZGTSA-N 1 0 348.487 2.755 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3C[NH2+]C[C@@H](O)C3)n2)cc1 ZINC001247752906 1314834521 /nfs/dbraw/zinc/83/45/21/1314834521.db2.gz VICLZHLHEOOKOA-RDJZCZTQSA-N 1 0 338.411 2.582 20 10 EFCDRO COc1cc(I)cc(C[NH+]2CCCCC2)c1O ZINC001248387348 1314930205 /nfs/dbraw/zinc/93/02/05/1314930205.db2.gz WQWZDWYGUSISMI-UHFFFAOYSA-N 1 0 347.196 2.991 20 10 EFCDRO COc1cc(I)cc(C[N@@H+]2CCC[C@@H]2C)c1O ZINC001248386534 1314930753 /nfs/dbraw/zinc/93/07/53/1314930753.db2.gz NGOLLUVPSHTRQK-VIFPVBQESA-N 1 0 347.196 2.990 20 10 EFCDRO CC[NH+](CC)Cc1cc(I)c(OC)cc1O ZINC001248458445 1314936085 /nfs/dbraw/zinc/93/60/85/1314936085.db2.gz HVHQALUEAMVQLX-UHFFFAOYSA-N 1 0 335.185 2.847 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2C)cc1I ZINC001248458392 1314936272 /nfs/dbraw/zinc/93/62/72/1314936272.db2.gz FYDIPGFGLDEOBH-SECBINFHSA-N 1 0 347.196 2.990 20 10 EFCDRO C[N@H+](Cc1ccc2n1CCC2)Cc1ccc(N2CCOCC2)cc1 ZINC001248823293 1314975691 /nfs/dbraw/zinc/97/56/91/1314975691.db2.gz QUMUHERIVYCMRY-UHFFFAOYSA-N 1 0 325.456 2.903 20 10 EFCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)cc1Cl ZINC001248879696 1314990413 /nfs/dbraw/zinc/99/04/13/1314990413.db2.gz CINVORAKKUPZPE-FUHWJXTLSA-N 1 0 341.879 2.908 20 10 EFCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1Cl ZINC001248880288 1314990645 /nfs/dbraw/zinc/99/06/45/1314990645.db2.gz IDNDCLXVSYLKNG-AWEZNQCLSA-N 1 0 338.879 2.860 20 10 EFCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1Cl ZINC001248881079 1314991486 /nfs/dbraw/zinc/99/14/86/1314991486.db2.gz PRXWOCVBRJQUPE-ZBEGNZNMSA-N 1 0 327.852 2.518 20 10 EFCDRO C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001216899307 1315021073 /nfs/dbraw/zinc/02/10/73/1315021073.db2.gz YHPDAUJEVNRQAM-TYNCELHUSA-N 1 0 349.410 2.647 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)c(O)c1 ZINC001249171934 1315028307 /nfs/dbraw/zinc/02/83/07/1315028307.db2.gz HMCNUNQLKGVZEQ-OAHLLOKOSA-N 1 0 349.324 2.832 20 10 EFCDRO COC(=O)Cc1ccc(CN2CCCC[C@H]2C[NH+]2CCCC2)c(O)c1 ZINC001249201244 1315032617 /nfs/dbraw/zinc/03/26/17/1315032617.db2.gz LVWCTXIQBCZZTP-SFHVURJKSA-N 1 0 346.471 2.558 20 10 EFCDRO CC[N@H+](Cc1ccccc1O)Cc1ccc(CC(=O)OC)cc1O ZINC001249215275 1315033820 /nfs/dbraw/zinc/03/38/20/1315033820.db2.gz ZAPCOJCSCBFPPN-UHFFFAOYSA-N 1 0 329.396 2.835 20 10 EFCDRO CC1(C)C=Cc2c(O)c(C[NH+]3CCC4(CC(=O)CO4)CC3)ccc2O1 ZINC001249230787 1315036059 /nfs/dbraw/zinc/03/60/59/1315036059.db2.gz URIVIRBNSKTGFK-UHFFFAOYSA-N 1 0 343.423 2.900 20 10 EFCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCO[C@@H]4C[C@H](CO)C[C@@H]43)ccc2O1 ZINC001249231024 1315036425 /nfs/dbraw/zinc/03/64/25/1315036425.db2.gz ZQXQJHPKNAFYQS-RPVQJOFSSA-N 1 0 345.439 2.548 20 10 EFCDRO COc1cc(OC)cc(-c2noc(C[C@@H]([NH3+])c3ccccc3O)n2)c1 ZINC001249340027 1315056334 /nfs/dbraw/zinc/05/63/34/1315056334.db2.gz RKNWFIFAKRIXFT-OAHLLOKOSA-N 1 0 341.367 2.702 20 10 EFCDRO COc1cc(F)ccc1-c1noc(C[C@@H]([NH3+])c2ccccc2O)n1 ZINC001249338766 1315056362 /nfs/dbraw/zinc/05/63/62/1315056362.db2.gz BAEWONVXOVAVFT-CYBMUJFWSA-N 1 0 329.331 2.832 20 10 EFCDRO COc1cc(F)c(-c2noc(C[C@@H]([NH3+])c3ccccc3O)n2)cc1F ZINC001249338797 1315056380 /nfs/dbraw/zinc/05/63/80/1315056380.db2.gz COWDIGMXMKKPQJ-CYBMUJFWSA-N 1 0 347.321 2.972 20 10 EFCDRO N[C@H](CC1CC[NH2+]CC1)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217724963 1315106920 /nfs/dbraw/zinc/10/69/20/1315106920.db2.gz MQFDTJCTRQLJBD-QGZVFWFLSA-N 1 0 337.427 2.917 20 10 EFCDRO CCOC(=O)CCCOc1ccc(C[N@H+](C)Cc2ccno2)c(O)c1 ZINC001249743332 1315128996 /nfs/dbraw/zinc/12/89/96/1315128996.db2.gz KNJOLEWFOWPFFY-UHFFFAOYSA-N 1 0 348.399 2.734 20 10 EFCDRO O=C1c2cccc(O[C@@H]3CCC[NH2+]CC3)c2C(=O)c2cccc(O)c21 ZINC001217995270 1315130263 /nfs/dbraw/zinc/13/02/63/1315130263.db2.gz GCLXOGIRDQQAHO-GFCCVEGCSA-N 1 0 337.375 2.689 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3CC[NH2+]CC[C@@H]3F)cccc21 ZINC001218013295 1315134130 /nfs/dbraw/zinc/13/41/30/1315134130.db2.gz AMEDZXBMNRSGEL-HOTGVXAUSA-N 1 0 339.366 2.931 20 10 EFCDRO C[C@H]1C[C@H](Oc2cccc3c2C(=O)c2cccc(O)c2C3=O)CC[NH2+]1 ZINC001218062386 1315140775 /nfs/dbraw/zinc/14/07/75/1315140775.db2.gz SWFMDSJCPFPJFQ-NWDGAFQWSA-N 1 0 337.375 2.687 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(OC3CC4(C3)CC[NH2+]C4)cccc21 ZINC001218060582 1315140862 /nfs/dbraw/zinc/14/08/62/1315140862.db2.gz LDVSKOWMHSSARJ-UHFFFAOYSA-N 1 0 333.387 2.983 20 10 EFCDRO CC(C)(C)OC(=O)NCc1c[nH+]ccc1Nc1c(N)cccc1O ZINC001249823507 1315143077 /nfs/dbraw/zinc/14/30/77/1315143077.db2.gz YLRVZRONOSYZTB-UHFFFAOYSA-N 1 0 330.388 2.560 20 10 EFCDRO COc1ccc(Nc2cc[nH+]cc2CNC(=O)OC(C)(C)C)c(O)c1 ZINC001249824248 1315143348 /nfs/dbraw/zinc/14/33/48/1315143348.db2.gz QUVFPYNCICIOLI-UHFFFAOYSA-N 1 0 345.399 2.986 20 10 EFCDRO Cc1c(O)cc2c(c1O[C@H]1CCC[NH2+]C1)C(=O)c1ccccc1C2=O ZINC001218283949 1315174666 /nfs/dbraw/zinc/17/46/66/1315174666.db2.gz OEXXZPVUPNGJHJ-LBPRGKRZSA-N 1 0 337.375 2.607 20 10 EFCDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c(O)cc1Br ZINC001250120519 1315174753 /nfs/dbraw/zinc/17/47/53/1315174753.db2.gz GYXFYQZFIHXWRW-STQMWFEESA-N 1 0 332.213 2.758 20 10 EFCDRO Cc1cc(C[N@H+]2CCc3nccn3CC2)c(O)cc1Br ZINC001250134264 1315177178 /nfs/dbraw/zinc/17/71/78/1315177178.db2.gz YHYBPXYQMDDBIB-UHFFFAOYSA-N 1 0 336.233 2.718 20 10 EFCDRO COC(=O)CC[N@H+](Cc1cc(C)c(Br)cc1O)C1CC1 ZINC001250134254 1315177314 /nfs/dbraw/zinc/17/73/14/1315177314.db2.gz XTDDMLBGVRCGOS-UHFFFAOYSA-N 1 0 342.233 2.991 20 10 EFCDRO CCOC(=O)CN(Cc1cc(C)c(Br)cc1O)C1CC1 ZINC001250134321 1315177432 /nfs/dbraw/zinc/17/74/32/1315177432.db2.gz ZNIPBMNXBDFYCY-UHFFFAOYSA-N 1 0 342.233 2.991 20 10 EFCDRO COc1c(C)c(O[C@H]2C[NH2+][C@@H]2C)cc2c1C(=O)c1ccccc1C2=O ZINC001218384286 1315187175 /nfs/dbraw/zinc/18/71/75/1315187175.db2.gz IZVRELUVYUGIEL-BZNIZROVSA-N 1 0 337.375 2.518 20 10 EFCDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1cccc2c1C(=O)c1cccc(O)c1C2=O ZINC001218414423 1315192479 /nfs/dbraw/zinc/19/24/79/1315192479.db2.gz KWJPWIVBKFQROQ-NHYWBVRUSA-N 1 0 337.375 2.544 20 10 EFCDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001218418454 1315192611 /nfs/dbraw/zinc/19/26/11/1315192611.db2.gz ZJZWHSFMIGDWEA-ABAIWWIYSA-N 1 0 337.375 2.544 20 10 EFCDRO CC(C)Oc1ncccc1COc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218436080 1315195904 /nfs/dbraw/zinc/19/59/04/1315195904.db2.gz HZTNHNGVSVCETK-UHFFFAOYSA-N 1 0 327.428 2.857 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3CC[C@@H]4C[NH2+]C[C@H]34)ccc21 ZINC001218465408 1315200674 /nfs/dbraw/zinc/20/06/74/1315200674.db2.gz JFLMAPNHYGJTBB-ZUSMLRIVSA-N 1 0 333.387 2.839 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@@H]1CC[C@H]2C[NH2+]C[C@@H]21 ZINC001218471594 1315201767 /nfs/dbraw/zinc/20/17/67/1315201767.db2.gz HRAWOJVGSWSNQQ-XNJJOIOASA-N 1 0 349.386 2.544 20 10 EFCDRO N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001218581861 1315217528 /nfs/dbraw/zinc/21/75/28/1315217528.db2.gz PCJHTRPKYMKECF-HTCZVNBUSA-N 1 0 342.378 2.695 20 10 EFCDRO N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001218581093 1315218098 /nfs/dbraw/zinc/21/80/98/1315218098.db2.gz DWYAALWSCXTBGN-MURPPMPKSA-N 1 0 342.378 2.553 20 10 EFCDRO CN(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001318396738 1328574376 /nfs/dbraw/zinc/57/43/76/1328574376.db2.gz JOBPXGGEGVQNBU-ICSRJNTNSA-N 1 0 348.510 2.540 20 10 EFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C[NH2+]C(C)(C)C)cc1 ZINC001318401205 1328575728 /nfs/dbraw/zinc/57/57/28/1328575728.db2.gz IVDGUKBTPBMQMS-SFHVURJKSA-N 1 0 347.503 2.648 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)COc2ccc(F)cc2F)cc1 ZINC001250884757 1315287889 /nfs/dbraw/zinc/28/78/89/1315287889.db2.gz FNEBJYIQTHNPEK-MRXNPFEDSA-N 1 0 336.382 2.560 20 10 EFCDRO CN(C)c1ccc(/C=C/C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)cc1 ZINC001219537741 1315321198 /nfs/dbraw/zinc/32/11/98/1315321198.db2.gz PLLDDTGZXFNWNE-WGYRVSROSA-N 1 0 349.434 2.852 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)NC[C@]2(F)CCC[NH2+]C2)c1 ZINC001219770673 1315344969 /nfs/dbraw/zinc/34/49/69/1315344969.db2.gz CKTOKMPCZWSBQK-IBGZPJMESA-N 1 0 345.418 2.621 20 10 EFCDRO CN(C)c1ccc(/C=C/C(=O)N[C@@H]2CC[NH2+][C@H]2c2ccccc2)cc1 ZINC001219816225 1315347393 /nfs/dbraw/zinc/34/73/93/1315347393.db2.gz FFXNLIJFCCGEOA-WLGCDVGPSA-N 1 0 335.451 2.985 20 10 EFCDRO [NH3+][C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccccc1O ZINC001219923598 1315356571 /nfs/dbraw/zinc/35/65/71/1315356571.db2.gz STHGJZBSOUIBTR-CQSZACIVSA-N 1 0 338.329 2.597 20 10 EFCDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212871 1315385691 /nfs/dbraw/zinc/38/56/91/1315385691.db2.gz ZNJJWCZVQHWXHQ-ZYHUDNBSSA-N 1 0 333.819 2.598 20 10 EFCDRO CN(C)c1ccc(-c2nc(C(=O)NCC3([NH3+])CCCC3)cs2)cc1 ZINC001220497261 1315420612 /nfs/dbraw/zinc/42/06/12/1315420612.db2.gz NUELJUYEWUTKLB-UHFFFAOYSA-N 1 0 344.484 2.877 20 10 EFCDRO CC(C)c1ccc(C[NH+]2CC3(CCN3CCn3ccnc3)C2)c(O)c1 ZINC001276815025 1315436712 /nfs/dbraw/zinc/43/67/12/1315436712.db2.gz NXZXPHRESONCPA-UHFFFAOYSA-N 1 0 340.471 2.672 20 10 EFCDRO CC(C)(O)C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001252356845 1315438332 /nfs/dbraw/zinc/43/83/32/1315438332.db2.gz LPGJBDXIEIQGSA-UHFFFAOYSA-N 1 0 341.455 2.554 20 10 EFCDRO Oc1cccc(C[NH2+]C[C@H](O)COc2cccc3ccccc32)c1O ZINC001252398723 1315446566 /nfs/dbraw/zinc/44/65/66/1315446566.db2.gz NYJWTNTUWJXYRV-INIZCTEOSA-N 1 0 339.391 2.781 20 10 EFCDRO Nc1ccc(CC(=O)N[C@H](c2ccc(F)cc2)C2CC[NH2+]CC2)cc1 ZINC001221037510 1315475495 /nfs/dbraw/zinc/47/54/95/1315475495.db2.gz SDFHVNCXDGWNMC-HXUWFJFHSA-N 1 0 341.430 2.808 20 10 EFCDRO CC(C)OC[C@@H](O)CNc1ccccc1OCC1CC[NH+](C)CC1 ZINC001252687786 1315487495 /nfs/dbraw/zinc/48/74/95/1315487495.db2.gz FPXBAZOWZVNUSI-KRWDZBQOSA-N 1 0 336.476 2.605 20 10 EFCDRO CC[N@@H+](Cc1ccccc1O)C[C@@H](O)COc1ccc(OC)cc1 ZINC001252719567 1315493303 /nfs/dbraw/zinc/49/33/03/1315493303.db2.gz ZEIQCCSJKXKYEI-MRXNPFEDSA-N 1 0 331.412 2.663 20 10 EFCDRO COc1ccc(OC[C@@H](O)C[NH2+]Cc2c(C)cc(C)cc2O)cc1 ZINC001252740895 1315498226 /nfs/dbraw/zinc/49/82/26/1315498226.db2.gz LVDUOYUXWXFVFP-HNNXBMFYSA-N 1 0 331.412 2.547 20 10 EFCDRO Cc1cc(C)c(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)c(O)c1 ZINC001252949892 1315541983 /nfs/dbraw/zinc/54/19/83/1315541983.db2.gz XIVSBBXBBUHLQU-OAQYLSRUSA-N 1 0 340.467 2.736 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]2C)cc1C ZINC001054379320 1315546769 /nfs/dbraw/zinc/54/67/69/1315546769.db2.gz HSJIHQXMDOYXER-YOEHRIQHSA-N 1 0 327.428 2.582 20 10 EFCDRO CCCC[C@@H](CC)COC[C@@H](O)C[NH2+]CCc1ccc(O)c(O)c1 ZINC001253021965 1315554858 /nfs/dbraw/zinc/55/48/58/1315554858.db2.gz HDFMLOIXULSBGK-WBVHZDCISA-N 1 0 339.476 2.824 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3cscn3)C[C@H]2C)cc1C ZINC001054481472 1315561227 /nfs/dbraw/zinc/56/12/27/1315561227.db2.gz JULOSCKJNAUWBI-HIFRSBDPSA-N 1 0 345.468 2.710 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCCN(Cc3cc(C)on3)CC2)c(O)c1 ZINC001254004883 1315665001 /nfs/dbraw/zinc/66/50/01/1315665001.db2.gz PSBRXRQIRKGAKT-UHFFFAOYSA-N 1 0 345.443 2.795 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1)c1ccccc1O ZINC001254234847 1315685987 /nfs/dbraw/zinc/68/59/87/1315685987.db2.gz MKVYBABETQLMNI-STQMWFEESA-N 1 0 334.416 2.969 20 10 EFCDRO CN(C)c1ncc(CN(C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC001254814893 1315746065 /nfs/dbraw/zinc/74/60/65/1315746065.db2.gz GFPNZPCDXOUELW-UHFFFAOYSA-N 1 0 334.489 2.786 20 10 EFCDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+]Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001254891344 1315756231 /nfs/dbraw/zinc/75/62/31/1315756231.db2.gz PYYLAHQATDDXQY-FICVDOATSA-N 1 0 348.443 2.833 20 10 EFCDRO N[C@H](c1ccccc1O)[C@H]([NH2+][C@@H]1CCSC1)c1ccccc1O ZINC001255277449 1315799337 /nfs/dbraw/zinc/79/93/37/1315799337.db2.gz RZPCESYMWKYODO-NXOUGTEYSA-N 1 0 330.453 2.934 20 10 EFCDRO CCOC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001255337943 1315804916 /nfs/dbraw/zinc/80/49/16/1315804916.db2.gz WHNQFCFYRJAYJE-ROUUACIJSA-N 1 0 346.471 2.735 20 10 EFCDRO CC(C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039475913 1315819412 /nfs/dbraw/zinc/81/94/12/1315819412.db2.gz PFHCQZWHMMRNAX-CVEARBPZSA-N 1 0 343.431 2.936 20 10 EFCDRO COc1ccc(N2CC[NH+](C3CCC4(CC3)OCCO4)CC2)c(C)c1 ZINC001255629565 1315850502 /nfs/dbraw/zinc/85/05/02/1315850502.db2.gz HIGPKWPIAFCBLV-UHFFFAOYSA-N 1 0 346.471 2.811 20 10 EFCDRO CCOc1cccc(C[NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)c1O ZINC000724952931 1315886620 /nfs/dbraw/zinc/88/66/20/1315886620.db2.gz LQKYAYQADNBVJU-CQSZACIVSA-N 1 0 336.432 2.890 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H](C)C(C)C)CCO2)cc1C ZINC001051854554 1315888798 /nfs/dbraw/zinc/88/87/98/1315888798.db2.gz CGNUFWPGBLNMGN-WMZOPIPTSA-N 1 0 348.487 2.613 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C(C)C)CCO2)cc1C ZINC001051854552 1315888903 /nfs/dbraw/zinc/88/89/03/1315888903.db2.gz CGNUFWPGBLNMGN-SJLPKXTDSA-N 1 0 348.487 2.613 20 10 EFCDRO C[C@H](Cc1ccccn1)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001256404033 1315935629 /nfs/dbraw/zinc/93/56/29/1315935629.db2.gz DDEVXWCWXVTORD-MRXNPFEDSA-N 1 0 325.456 2.972 20 10 EFCDRO C[C@@H](Cc1ccncc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001256743155 1315988814 /nfs/dbraw/zinc/98/88/14/1315988814.db2.gz QQACIAWVGXRPDI-KRWDZBQOSA-N 1 0 325.456 2.981 20 10 EFCDRO O=C(C[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(O)c(O)c1 ZINC001256792330 1315991908 /nfs/dbraw/zinc/99/19/08/1315991908.db2.gz IXVYAPYSRAMGQI-HNAYVOBHSA-N 1 0 327.380 2.790 20 10 EFCDRO Cc1cccc(CC[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000827719833 1316012862 /nfs/dbraw/zinc/01/28/62/1316012862.db2.gz QMRJVFOSIOSOHR-UHFFFAOYSA-N 1 0 325.456 2.901 20 10 EFCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001257047475 1316025460 /nfs/dbraw/zinc/02/54/60/1316025460.db2.gz NJCSQINOYYLOII-NVXWUHKLSA-N 1 0 332.444 2.549 20 10 EFCDRO CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCN(c3ccc(OC)cc3C)CC2)C1 ZINC001257067207 1316028987 /nfs/dbraw/zinc/02/89/87/1316028987.db2.gz DESHIQCWPVYCHF-SJORKVTESA-N 1 0 346.471 2.857 20 10 EFCDRO O=C(C[NH2+][C@@H]1COc2ccc(Cl)cc2C1)c1ccc(O)c(O)c1 ZINC001257949704 1316105120 /nfs/dbraw/zinc/10/51/20/1316105120.db2.gz AWTCCDMSGXPLIW-ZDUSSCGKSA-N 1 0 333.771 2.527 20 10 EFCDRO Oc1ccc([C@H](O)C[NH2+]C2CCN(c3cccc(F)c3)CC2)cc1O ZINC001258409897 1316149695 /nfs/dbraw/zinc/14/96/95/1316149695.db2.gz JKABIYRTQOMORP-LJQANCHMSA-N 1 0 346.402 2.529 20 10 EFCDRO CC1(C)COC2(CCC([NH2+]CCc3ccc(O)c(O)c3)CC2)OC1 ZINC001258518775 1316159122 /nfs/dbraw/zinc/15/91/22/1316159122.db2.gz AYFHIINUPSHDNT-UHFFFAOYSA-N 1 0 335.444 2.942 20 10 EFCDRO CCC[NH+]1CCC(N2CCN(c3ccc(OC)cc3OC)CC2)CC1 ZINC001258776392 1316178105 /nfs/dbraw/zinc/17/81/05/1316178105.db2.gz ASHVGFRRRJALDM-UHFFFAOYSA-N 1 0 347.503 2.700 20 10 EFCDRO CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1C ZINC001072102647 1316358112 /nfs/dbraw/zinc/35/81/12/1316358112.db2.gz QCHVQIPGZVAAGJ-DOMZBBRYSA-N 1 0 331.420 2.842 20 10 EFCDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC001261506923 1316415846 /nfs/dbraw/zinc/41/58/46/1316415846.db2.gz JMNNSFRUBGASLU-KGLIPLIRSA-N 1 0 325.840 2.718 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC(C)(C)[NH+](C)C)c1 ZINC001261787963 1316430363 /nfs/dbraw/zinc/43/03/63/1316430363.db2.gz HOEUKDFGLGMVMT-UHFFFAOYSA-N 1 0 341.455 2.977 20 10 EFCDRO Cn1cc(C(=O)N2C[C@@H](CC[NH3+])c3ccccc32)c(-c2cccnc2)n1 ZINC001263173791 1316520140 /nfs/dbraw/zinc/52/01/40/1316520140.db2.gz KCYLDJNEGYSGQW-OAHLLOKOSA-N 1 0 347.422 2.575 20 10 EFCDRO Cc1cc(C(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])c(C)n1-c1ccccn1 ZINC001263239036 1316523457 /nfs/dbraw/zinc/52/34/57/1316523457.db2.gz ZRNKOCFXIWMXSR-OXJNMPFZSA-N 1 0 338.455 2.833 20 10 EFCDRO Cc1cc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)[nH]n1 ZINC001318620354 1328653700 /nfs/dbraw/zinc/65/37/00/1328653700.db2.gz AEGJBCNCOFZOPA-OKILXGFUSA-N 1 0 332.423 2.761 20 10 EFCDRO O=C(Nc1cccc2nccn21)[C@]12C[C@H]1CC[N@H+]2Cc1ccccc1O ZINC001279969329 1317426191 /nfs/dbraw/zinc/42/61/91/1317426191.db2.gz XKMLWWPANLNKRL-QRWLVFNGSA-N 1 0 348.406 2.643 20 10 EFCDRO CCn1ccc(C(=O)NCC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001281751594 1318568492 /nfs/dbraw/zinc/56/84/92/1318568492.db2.gz YTHXAFKVRCZRAV-HNNXBMFYSA-N 1 0 344.459 2.518 20 10 EFCDRO CCOc1ccc(N2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2)cc1 ZINC001319605053 1328927009 /nfs/dbraw/zinc/92/70/09/1328927009.db2.gz ZINRLLHSKSJSEK-LJQANCHMSA-N 1 0 347.503 2.854 20 10 EFCDRO [NH3+][C@@H](CC(=O)NCc1ccc(N2CCCC2)cc1)Cc1ccccc1 ZINC000827005118 1321879287 /nfs/dbraw/zinc/87/92/87/1321879287.db2.gz PKEPQACRPGBEOT-LJQANCHMSA-N 1 0 337.467 2.863 20 10 EFCDRO CN1CCN(c2ccc(C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)cc2F)CC1 ZINC001319947781 1329041921 /nfs/dbraw/zinc/04/19/21/1329041921.db2.gz DMXSKKFSNYPLJZ-PXNSSMCTSA-N 1 0 347.478 2.578 20 10 EFCDRO CN(C)C(=O)CC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319966585 1329044427 /nfs/dbraw/zinc/04/44/27/1329044427.db2.gz CVORCWDPLJHXAZ-UHFFFAOYSA-N 1 0 329.488 2.977 20 10 EFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC001320133064 1329094318 /nfs/dbraw/zinc/09/43/18/1329094318.db2.gz NBOOAYSCOXJRKI-QLFBSQMISA-N 1 0 333.428 2.761 20 10 EFCDRO C[C@H](NC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C)c1ccc(N(C)C)cc1 ZINC001320381067 1329120437 /nfs/dbraw/zinc/12/04/37/1329120437.db2.gz UPJNIZDBEJMCAI-JCGIZDLHSA-N 1 0 332.492 2.986 20 10 EFCDRO O=C(NC1CC1)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC001320481015 1329141193 /nfs/dbraw/zinc/14/11/93/1329141193.db2.gz YMWRRIWAXVDJSU-INIZCTEOSA-N 1 0 328.456 2.762 20 10 EFCDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001320487827 1329143823 /nfs/dbraw/zinc/14/38/23/1329143823.db2.gz WEKKUORPQMUILZ-FQEVSTJZSA-N 1 0 349.494 2.562 20 10 EFCDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc(N3CCCC3)cc2)C1(C)C ZINC001320517535 1329151129 /nfs/dbraw/zinc/15/11/29/1329151129.db2.gz CUUGRAQGDNNQBB-UYAOXDASSA-N 1 0 332.488 2.943 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3CCC(=O)[O-])cc2)CC1 ZINC000901996102 1324765867 /nfs/dbraw/zinc/76/58/67/1324765867.db2.gz FSIQKAGWELRRDR-GOSISDBHSA-N 1 0 345.487 2.658 20 10 EFCDRO CS(=O)(=O)[C@H]1CCCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001320868604 1329312249 /nfs/dbraw/zinc/31/22/49/1329312249.db2.gz BOZVQDHKGXBKIC-SFHVURJKSA-N 1 0 336.501 2.686 20 10 EFCDRO Cc1nnc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)n1C ZINC001321494703 1329391265 /nfs/dbraw/zinc/39/12/65/1329391265.db2.gz GAEPZQICEZQTQJ-SECBINFHSA-N 1 0 339.237 2.751 20 10 EFCDRO CO[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@@H](C)C1 ZINC001321674076 1329402456 /nfs/dbraw/zinc/40/24/56/1329402456.db2.gz KXGSZTXTLXOFSH-RDJZCZTQSA-N 1 0 335.467 2.577 20 10 EFCDRO O=C1NCCCN1C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001324750319 1329655881 /nfs/dbraw/zinc/65/58/81/1329655881.db2.gz HNOAGAXQEZGACL-UHFFFAOYSA-N 1 0 342.487 2.667 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001326036937 1329730934 /nfs/dbraw/zinc/73/09/34/1329730934.db2.gz YTFYLVCTVSKBKI-MRXNPFEDSA-N 1 0 329.488 2.737 20 10 EFCDRO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326450674 1329758012 /nfs/dbraw/zinc/75/80/12/1329758012.db2.gz AXHXKSICNMDWEQ-KRWDZBQOSA-N 1 0 335.467 2.578 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC[NH+]2CC=CC2)c1 ZINC001328956942 1330650469 /nfs/dbraw/zinc/65/04/69/1330650469.db2.gz JTABHAOLKQBVDN-UHFFFAOYSA-N 1 0 337.423 2.508 20 10 EFCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)cc1F ZINC001329053470 1330661797 /nfs/dbraw/zinc/66/17/97/1330661797.db2.gz PIEQFIZWWPTEFN-GFCCVEGCSA-N 1 0 337.414 2.521 20 10 EFCDRO COCCC1CC[NH+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001329160144 1330674820 /nfs/dbraw/zinc/67/48/20/1330674820.db2.gz BCMCKQGLDOLXNQ-UHFFFAOYSA-N 1 0 349.494 2.826 20 10 EFCDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001331503235 1330844615 /nfs/dbraw/zinc/84/46/15/1330844615.db2.gz LIOWNZICFAYAOW-JOCHJYFZSA-N 1 0 349.478 2.916 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3c(c2)C[NH2+]CC3)c1 ZINC001332125200 1330924944 /nfs/dbraw/zinc/92/49/44/1330924944.db2.gz PCSXDVURSINKNS-GFCCVEGCSA-N 1 0 326.396 2.538 20 10 EFCDRO COc1cc(N2CC[NH+](CC3CC(C)C3)CC2)cc(OC)c1OC ZINC001332903778 1331044936 /nfs/dbraw/zinc/04/49/36/1331044936.db2.gz VJPKPTNKRCJASM-UHFFFAOYSA-N 1 0 334.460 2.881 20 10 EFCDRO COCn1ncc(C)c1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC001333632453 1331184565 /nfs/dbraw/zinc/18/45/65/1331184565.db2.gz GGVPGKYPURKMMI-QGZVFWFLSA-N 1 0 345.443 2.682 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c(O)c1OC ZINC001333679345 1331193718 /nfs/dbraw/zinc/19/37/18/1331193718.db2.gz GJWVUQPNBPISJV-SNVBAGLBSA-N 1 0 343.383 2.842 20 10 EFCDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC001333716014 1331200175 /nfs/dbraw/zinc/20/01/75/1331200175.db2.gz XQYUHZNAMHNABY-CYBMUJFWSA-N 1 0 336.432 2.666 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](c2ccnn2C)C(C)C)c(O)c1OC ZINC001333716663 1331200745 /nfs/dbraw/zinc/20/07/45/1331200745.db2.gz FSBWSCRGXAIJRL-AWEZNQCLSA-N 1 0 333.432 2.672 20 10 EFCDRO COc1ccc(O[C@@H](C)C[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC001333740720 1331205955 /nfs/dbraw/zinc/20/59/55/1331205955.db2.gz OGCVCMDDDIAPES-ZDUSSCGKSA-N 1 0 347.411 2.975 20 10 EFCDRO C[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H]1CC[NH3+] ZINC001335497916 1331360735 /nfs/dbraw/zinc/36/07/35/1331360735.db2.gz MHBBRIMTVCTLNT-VQIMIIECSA-N 1 0 342.487 2.722 20 10 EFCDRO C[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H]1CC[NH3+] ZINC001335497915 1331360988 /nfs/dbraw/zinc/36/09/88/1331360988.db2.gz MHBBRIMTVCTLNT-QFBILLFUSA-N 1 0 342.487 2.722 20 10 EFCDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NCc2ccc(N)cc2)cc1 ZINC001335538314 1331369915 /nfs/dbraw/zinc/36/99/15/1331369915.db2.gz QYSHTFVTJPEBLZ-SFHVURJKSA-N 1 0 326.444 2.891 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC3(C2)CCCC3)[NH+](C)C)cc1 ZINC001335582626 1331376944 /nfs/dbraw/zinc/37/69/44/1331376944.db2.gz NKRROUAUAWSKCJ-GOSISDBHSA-N 1 0 344.503 2.941 20 10 EFCDRO CC[C@H](F)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001335855973 1331410747 /nfs/dbraw/zinc/41/07/47/1331410747.db2.gz QBEBJVKTMPMVTE-KGLIPLIRSA-N 1 0 328.815 2.874 20 10 EFCDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCc2ccc(N)cc2)C1 ZINC001335929184 1331417454 /nfs/dbraw/zinc/41/74/54/1331417454.db2.gz JRTHPAWCBHBKNJ-HZPDHXFCSA-N 1 0 332.492 2.826 20 10 EFCDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCc2ccc(N)cc2)C1 ZINC001335929183 1331417765 /nfs/dbraw/zinc/41/77/65/1331417765.db2.gz JRTHPAWCBHBKNJ-HOTGVXAUSA-N 1 0 332.492 2.826 20 10 EFCDRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(N)cc1)c1ccc(F)cc1 ZINC001335952073 1331420101 /nfs/dbraw/zinc/42/01/01/1331420101.db2.gz RNQSHDDODWTIBL-QGZVFWFLSA-N 1 0 330.407 2.510 20 10 EFCDRO Nc1ccc(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001336090321 1331434092 /nfs/dbraw/zinc/43/40/92/1331434092.db2.gz KKUXUKWJDQEDRX-SFHVURJKSA-N 1 0 338.455 2.590 20 10 EFCDRO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccc(N)cc1 ZINC001336118365 1331437366 /nfs/dbraw/zinc/43/73/66/1331437366.db2.gz XQMACANSVOIAIN-UHFFFAOYSA-N 1 0 348.468 2.573 20 10 EFCDRO CCn1cc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c(C)n1 ZINC001336708180 1331494557 /nfs/dbraw/zinc/49/45/57/1331494557.db2.gz YTKZDRRKEIEKLU-UHFFFAOYSA-N 1 0 342.487 2.710 20 10 EFCDRO COc1ccc(C[NH2+][C@H](CO)[C@H](C)c2ccccc2)c(O)c1OC ZINC001336720711 1331495764 /nfs/dbraw/zinc/49/57/64/1331495764.db2.gz ANOCQNJTYGTJIU-CZUORRHYSA-N 1 0 331.412 2.664 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2OCCc3ccccc32)c(O)c1OC ZINC001336722288 1331496429 /nfs/dbraw/zinc/49/64/29/1331496429.db2.gz OMRZEWSLEJNRGI-QGZVFWFLSA-N 1 0 329.396 2.813 20 10 EFCDRO Nc1ccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC001336734704 1331498044 /nfs/dbraw/zinc/49/80/44/1331498044.db2.gz CJAYVDQMPTTYAM-IBGZPJMESA-N 1 0 338.455 2.905 20 10 EFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC001337796057 1331599654 /nfs/dbraw/zinc/59/96/54/1331599654.db2.gz OGZUGMVQRZUHLY-OUAUKWLOSA-N 1 0 330.350 2.906 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(N)cc1 ZINC001338580606 1331717884 /nfs/dbraw/zinc/71/78/84/1331717884.db2.gz AUPSQVBNZKDCRA-KXBFYZLASA-N 1 0 338.455 2.589 20 10 EFCDRO CCOc1ccc(N2CC[NH+](CCO[C@H]3CCCCO3)CC2)cc1 ZINC001339172327 1331809035 /nfs/dbraw/zinc/80/90/35/1331809035.db2.gz BUOMPJLMMUQOEO-IBGZPJMESA-N 1 0 334.460 2.751 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)C34CCC(CC3)[NH2+]4)cc2)CC1 ZINC001341697703 1332277658 /nfs/dbraw/zinc/27/76/58/1332277658.db2.gz VCACZMIYHPQJNW-UHFFFAOYSA-N 1 0 327.472 2.824 20 10 EFCDRO C[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@@H]1CC[NH3+] ZINC001346252566 1332617746 /nfs/dbraw/zinc/61/77/46/1332617746.db2.gz UQLBKRHURLODMA-CZUORRHYSA-N 1 0 336.455 2.551 20 10 EFCDRO C[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@H]1CC[NH3+] ZINC001346252408 1332617867 /nfs/dbraw/zinc/61/78/67/1332617867.db2.gz UQLBKRHURLODMA-BBRMVZONSA-N 1 0 336.455 2.551 20 10 EFCDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)cn1 ZINC001347792671 1332774072 /nfs/dbraw/zinc/77/40/72/1332774072.db2.gz BZCKRZCLMLREPX-OAHLLOKOSA-N 1 0 345.466 2.645 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@H+]2C1 ZINC001348861157 1332877578 /nfs/dbraw/zinc/87/75/78/1332877578.db2.gz QLNCPBBQSMTSOW-YJLNNSPDSA-N 1 0 329.488 2.798 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@H+]2C1 ZINC001348861154 1332877887 /nfs/dbraw/zinc/87/78/87/1332877887.db2.gz QLNCPBBQSMTSOW-BJZITVGISA-N 1 0 329.488 2.798 20 10 EFCDRO O=C(NCc1cccc(O)c1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001349077998 1332902770 /nfs/dbraw/zinc/90/27/70/1332902770.db2.gz HDAYBKTXCBXGDB-UHFFFAOYSA-N 1 0 340.423 2.626 20 10 EFCDRO NC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1c1ccccc1 ZINC001350283847 1333058424 /nfs/dbraw/zinc/05/84/24/1333058424.db2.gz PPSKRRWRHRCCMK-LEWJYISDSA-N 1 0 349.478 2.988 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)CC(=O)OC(C)(C)C)c(O)c1OC ZINC001351987150 1333343887 /nfs/dbraw/zinc/34/38/87/1333343887.db2.gz LPEKGUGECNUSAK-LLVKDONJSA-N 1 0 325.405 2.619 20 10 EFCDRO COc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(O)c1OC ZINC001352023335 1333356442 /nfs/dbraw/zinc/35/64/42/1333356442.db2.gz UUEAXIHTYYPVNT-UHFFFAOYSA-N 1 0 332.356 2.916 20 10 EFCDRO C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)n1cccc1 ZINC001352167232 1333412024 /nfs/dbraw/zinc/41/20/24/1333412024.db2.gz IZWZUQAXJKTUBA-QAPCUYQASA-N 1 0 328.460 2.534 20 10 EFCDRO CN(C)c1ccc(CNC(=O)c2ccc(CC[NH+](C)C)cc2)cc1F ZINC000847406048 1333668445 /nfs/dbraw/zinc/66/84/45/1333668445.db2.gz XHVILQVFYXZERI-UHFFFAOYSA-N 1 0 343.446 2.926 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)C(=O)C(C)(C)C)C2)cc1C ZINC001100201189 1333863011 /nfs/dbraw/zinc/86/30/11/1333863011.db2.gz XMSDVDRNRLVLCN-UHFFFAOYSA-N 1 0 346.471 2.603 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NC2CC3(CC([NH3+])C3)C2)cc1 ZINC001353287529 1334066327 /nfs/dbraw/zinc/06/63/27/1334066327.db2.gz JNRPHEHOLPJGNK-UHFFFAOYSA-N 1 0 330.476 2.602 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC3CCC2CC3)[NH+](C)C)cc1 ZINC001355381491 1334762338 /nfs/dbraw/zinc/76/23/38/1334762338.db2.gz RZJLZSJITMICEF-PPSBMQLTSA-N 1 0 344.503 2.939 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1 ZINC000848520449 1334770499 /nfs/dbraw/zinc/77/04/99/1334770499.db2.gz JENGZBFJMKKSDL-FQEVSTJZSA-N 1 0 331.504 2.876 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cc2c(cc1O)CCCC2 ZINC000848564836 1334797181 /nfs/dbraw/zinc/79/71/81/1334797181.db2.gz PZWCYULYVXXYJL-DOMZBBRYSA-N 1 0 326.444 2.608 20 10 EFCDRO CCc1cccc(C[N@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000848883206 1334960355 /nfs/dbraw/zinc/96/03/55/1334960355.db2.gz KUICBBQEOZEQDQ-CYBMUJFWSA-N 1 0 348.468 2.795 20 10 EFCDRO CCc1cccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000848888256 1334962705 /nfs/dbraw/zinc/96/27/05/1334962705.db2.gz PZOXEKAJZVWKOZ-CVEARBPZSA-N 1 0 325.474 2.742 20 10 EFCDRO CCc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1O ZINC000848889530 1334963797 /nfs/dbraw/zinc/96/37/97/1334963797.db2.gz KPVWDXJYHQDZAB-ZWKOTPCHSA-N 1 0 329.444 2.776 20 10 EFCDRO CCOC(=O)c1csc(CC[NH2+]Cc2cccc(CC)c2O)n1 ZINC000848905752 1334975281 /nfs/dbraw/zinc/97/52/81/1334975281.db2.gz NKPQUSDGPPENHU-UHFFFAOYSA-N 1 0 334.441 2.920 20 10 EFCDRO CCc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)c1O ZINC000848913942 1334983212 /nfs/dbraw/zinc/98/32/12/1334983212.db2.gz CCZJDHZJZLSOCY-AWEZNQCLSA-N 1 0 326.387 2.690 20 10 EFCDRO [NH2+]=C(NCc1ccccc1O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000849058596 1335062867 /nfs/dbraw/zinc/06/28/67/1335062867.db2.gz LPNRWSXTYGXLST-UHFFFAOYSA-N 1 0 344.846 2.892 20 10 EFCDRO C[C@H]1CN(c2ccc(CNC(=[NH2+])NCC3CCC3)cc2F)C[C@H](C)O1 ZINC000849069603 1335068485 /nfs/dbraw/zinc/06/84/85/1335068485.db2.gz OAKUUGKNFNMPJE-KBPBESRZSA-N 1 0 348.466 2.853 20 10 EFCDRO Cc1ccc(CNC(=[NH2+])NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000849069242 1335068626 /nfs/dbraw/zinc/06/86/26/1335068626.db2.gz AGZOSWWDFRGWFM-UHFFFAOYSA-N 1 0 338.455 2.646 20 10 EFCDRO COc1ccc(OC)c(NC(=[NH2+])NCc2cccc(OC)c2O)c1 ZINC000849073390 1335069333 /nfs/dbraw/zinc/06/93/33/1335069333.db2.gz QYZCHMFXWGSWJU-UHFFFAOYSA-N 1 0 331.372 2.554 20 10 EFCDRO COc1ccc(CCNC(=[NH2+])NCc2ccc(N(C)C)cc2C)cc1 ZINC000849078882 1335070920 /nfs/dbraw/zinc/07/09/20/1335070920.db2.gz JDGIVTKKWSQXFD-UHFFFAOYSA-N 1 0 340.471 2.926 20 10 EFCDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)NCc1ccc(N)cc1 ZINC001357791489 1335333671 /nfs/dbraw/zinc/33/36/71/1335333671.db2.gz NCCSUEIDWXAXFW-UHFFFAOYSA-N 1 0 332.492 2.922 20 10 EFCDRO COc1ccc(O)c(CNC(=[NH2+])Nc2cc(OC)ccc2OC)c1 ZINC000849099083 1335551864 /nfs/dbraw/zinc/55/18/64/1335551864.db2.gz IJJDFXALKMXOJR-UHFFFAOYSA-N 1 0 331.372 2.554 20 10 EFCDRO CCC/C=C\C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000849192543 1335566671 /nfs/dbraw/zinc/56/66/71/1335566671.db2.gz YLRSWKXMAWYYLS-ALCCZGGFSA-N 1 0 345.487 2.680 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ccc4c(cc[nH]c4=O)c3)cc2)CC1 ZINC000849347357 1335596148 /nfs/dbraw/zinc/59/61/48/1335596148.db2.gz FOURFUNVDLHXEG-UHFFFAOYSA-N 1 0 348.450 2.892 20 10 EFCDRO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2ccc3c(c2)CCO3)cc1 ZINC000849350224 1335596626 /nfs/dbraw/zinc/59/66/26/1335596626.db2.gz VDKBHZGLYINQQN-OALUTQOASA-N 1 0 326.415 2.996 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@]3(C)CCO[C@@H]3C)C2)cc1C ZINC001020427189 712978764 /nfs/dbraw/zinc/97/87/64/712978764.db2.gz CVHDPXXLNQJFTN-WVSUBDOOSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@H]3CC[C@@H](C)O3)C2)cc1C ZINC001020546402 713134089 /nfs/dbraw/zinc/13/40/89/713134089.db2.gz MXPSTMOVIRNJSB-VDHUWJSZSA-N 1 0 346.471 2.698 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3occc3C)C2)cc1C ZINC001020567873 713210560 /nfs/dbraw/zinc/21/05/60/713210560.db2.gz XMMHNOAVRSUKHS-QAQDUYKDSA-N 1 0 342.439 2.885 20 10 EFCDRO O=C1NC(=S)S/C1=C\c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000120544679 713265284 /nfs/dbraw/zinc/26/52/84/713265284.db2.gz CWOMMMHLGMFEST-KAMYIIQDSA-N 1 0 334.466 2.650 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3(CF)CCC3)C2)cc1C ZINC000970014848 713343247 /nfs/dbraw/zinc/34/32/47/713343247.db2.gz NZBPYNPFTBLPQI-MRXNPFEDSA-N 1 0 334.435 2.834 20 10 EFCDRO CC[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cc(Cl)ccc1O ZINC000806174339 713440610 /nfs/dbraw/zinc/44/06/10/713440610.db2.gz VQNROCZNVOBYTR-RISCZKNCSA-N 1 0 331.865 2.911 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(F)c(F)c3)cc2)CC1 ZINC000049740662 713446727 /nfs/dbraw/zinc/44/67/27/713446727.db2.gz AGRLRFGOAZRUCZ-UHFFFAOYSA-N 1 0 345.393 2.647 20 10 EFCDRO CCc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)no1 ZINC001020946289 713448341 /nfs/dbraw/zinc/44/83/41/713448341.db2.gz DMVOPDCZEJPBGM-SHTZXODSSA-N 1 0 343.427 2.605 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCOCC3)C2)cc1C ZINC000968537292 713474269 /nfs/dbraw/zinc/47/42/69/713474269.db2.gz PXHZIGFVPYASGE-ZWKOTPCHSA-N 1 0 346.471 2.511 20 10 EFCDRO [NH3+]CCCCCCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000165418850 713767442 /nfs/dbraw/zinc/76/74/42/713767442.db2.gz NFPBQFUPTGBNLF-UHFFFAOYSA-N 1 0 335.517 2.765 20 10 EFCDRO CCC(CC)[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)N(C)C ZINC000074337429 713831730 /nfs/dbraw/zinc/83/17/30/713831730.db2.gz KCGGLBNFBZHGRI-HXUWFJFHSA-N 1 0 333.520 2.979 20 10 EFCDRO Cc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c(O)c1O ZINC000177660248 713893523 /nfs/dbraw/zinc/89/35/23/713893523.db2.gz SOJLVNZIKNIQKB-QGZVFWFLSA-N 1 0 340.423 2.973 20 10 EFCDRO COc1cc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c(O)cc1C ZINC000160375139 714045748 /nfs/dbraw/zinc/04/57/48/714045748.db2.gz JKFQGQBRMDGLCB-KRWDZBQOSA-N 1 0 335.444 2.869 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2c[nH]cc2C2CC2)[NH+](C)C)cc1 ZINC000891243913 714127744 /nfs/dbraw/zinc/12/77/44/714127744.db2.gz VTEUZBPBXYZSQJ-IBGZPJMESA-N 1 0 340.471 2.991 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc(O)c(F)c2)[NH+](C)C)cc1 ZINC000891246402 714133536 /nfs/dbraw/zinc/13/35/36/714133536.db2.gz CDJXHPWLRCPXFZ-KRWDZBQOSA-N 1 0 345.418 2.630 20 10 EFCDRO CSCC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246625 714133944 /nfs/dbraw/zinc/13/39/44/714133944.db2.gz CNSZVWCWNGISKO-INIZCTEOSA-N 1 0 337.533 2.861 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)CC(F)(F)F)[NH+](C)C)cc1 ZINC000891249305 714137831 /nfs/dbraw/zinc/13/78/31/714137831.db2.gz QMYBMCWWQIXKLZ-CQSZACIVSA-N 1 0 346.397 2.559 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCC(F)(F)C2)[NH+](C)C)cc1 ZINC000891249774 714139318 /nfs/dbraw/zinc/13/93/18/714139318.db2.gz WPVJFVJACLZZPO-GDBMZVCRSA-N 1 0 339.430 2.907 20 10 EFCDRO CC[C@@H]1C[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCO1 ZINC000891249889 714139494 /nfs/dbraw/zinc/13/94/94/714139494.db2.gz XNZUOKSYVAVFBG-QRQLOZEOSA-N 1 0 347.503 2.677 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)C=C2CCSCC2)[NH+](C)C)cc1 ZINC000891248969 714140097 /nfs/dbraw/zinc/14/00/97/714140097.db2.gz ONIVOSHWARJIBA-GOSISDBHSA-N 1 0 347.528 2.925 20 10 EFCDRO CC(C)OCCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249111 714140378 /nfs/dbraw/zinc/14/03/78/714140378.db2.gz QAXWSVANJBRGCN-GOSISDBHSA-N 1 0 335.492 2.677 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@]2(C)CC2(F)F)[NH+](C)C)cc1 ZINC000891250610 714140478 /nfs/dbraw/zinc/14/04/78/714140478.db2.gz YFVGXIOVPKKFCF-HOCLYGCPSA-N 1 0 325.403 2.517 20 10 EFCDRO CC1=C(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCCO1 ZINC000891252866 714146381 /nfs/dbraw/zinc/14/63/81/714146381.db2.gz OGQUSGMTMGJWQV-GOSISDBHSA-N 1 0 331.460 2.556 20 10 EFCDRO C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccco1 ZINC000891254012 714147934 /nfs/dbraw/zinc/14/79/34/714147934.db2.gz VKIRFSMNBJIZBW-YOEHRIQHSA-N 1 0 329.444 2.868 20 10 EFCDRO Cc1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000891255954 714150655 /nfs/dbraw/zinc/15/06/55/714150655.db2.gz UAHSNZTWTNSABV-HNNXBMFYSA-N 1 0 332.473 2.550 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C\c2ccco2)[NH+](C)C)cc1 ZINC000891258115 714152182 /nfs/dbraw/zinc/15/21/82/714152182.db2.gz NREUJMIXAISXTF-JYBLJSLWSA-N 1 0 327.428 2.778 20 10 EFCDRO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1C[NH+](CC2CCC2)C1 ZINC000970955471 714179215 /nfs/dbraw/zinc/17/92/15/714179215.db2.gz WCFZKJFUPKMRDR-GFCCVEGCSA-N 1 0 343.431 2.699 20 10 EFCDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)/C=C\c2cncc(F)c2)C1 ZINC000255232614 714396722 /nfs/dbraw/zinc/39/67/22/714396722.db2.gz WPFOFHYLJBFYHT-QWPQOLDESA-N 1 0 325.387 2.753 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccoc3C)C2)cc1C ZINC001021813202 714509562 /nfs/dbraw/zinc/50/95/62/714509562.db2.gz DIRXBQIHHVVFLW-IYBDPMFKSA-N 1 0 328.412 2.956 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3c(C)noc3C)C2)cc1C ZINC001021824091 714537921 /nfs/dbraw/zinc/53/79/21/714537921.db2.gz UJOVUHZBNDWTLH-IYBDPMFKSA-N 1 0 343.427 2.659 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3scnc3C)C2)cc1C ZINC001021860376 714565805 /nfs/dbraw/zinc/56/58/05/714565805.db2.gz NLOBZYRTAKMHRI-GASCZTMLSA-N 1 0 345.468 2.819 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000891392279 714600081 /nfs/dbraw/zinc/60/00/81/714600081.db2.gz SVTYWRIJVFMZPW-JCNLHEQBSA-N 1 0 332.492 2.850 20 10 EFCDRO COc1ccc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)c(O)c1OC ZINC000891400969 714618830 /nfs/dbraw/zinc/61/88/30/714618830.db2.gz XONVAONQEZXJOX-KRWDZBQOSA-N 1 0 342.439 2.898 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc(C)sn3)C2)cc1C ZINC001022020906 714657094 /nfs/dbraw/zinc/65/70/94/714657094.db2.gz KEXCMDPXZLNEJR-GASCZTMLSA-N 1 0 345.468 2.819 20 10 EFCDRO CCOc1cccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c1O ZINC000157901093 714744060 /nfs/dbraw/zinc/74/40/60/714744060.db2.gz VOKLGEGVRCIXEY-UHFFFAOYSA-N 1 0 328.412 2.819 20 10 EFCDRO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(O)c1OC ZINC000891451640 714755643 /nfs/dbraw/zinc/75/56/43/714755643.db2.gz YXVZKKDDSMZPKC-UHFFFAOYSA-N 1 0 346.402 2.871 20 10 EFCDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000891532709 714805652 /nfs/dbraw/zinc/80/56/52/714805652.db2.gz LOCYEWXABYKTSD-NVXWUHKLSA-N 1 0 330.476 2.554 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N(CC)[C@H]2CC[NH2+]C2)cc1F ZINC000891533927 714806400 /nfs/dbraw/zinc/80/64/00/714806400.db2.gz IIXPKTULZZRWIH-HNNXBMFYSA-N 1 0 336.455 2.565 20 10 EFCDRO COc1ccc(CN2CCC([NH+]3CCCCC3)CC2)c(O)c1OC ZINC000891567655 714828322 /nfs/dbraw/zinc/82/83/22/714828322.db2.gz KTKAJGJFJXTIAN-UHFFFAOYSA-N 1 0 334.460 2.860 20 10 EFCDRO CC[C@H]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)O1 ZINC001022155175 714839020 /nfs/dbraw/zinc/83/90/20/714839020.db2.gz HOUKARLOIQBTDA-MJQMVNBJSA-N 1 0 346.471 2.698 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC3(F)F)C2)cc1C ZINC001022261341 714932605 /nfs/dbraw/zinc/93/26/05/714932605.db2.gz QNKAKSZASAWWGY-ZNMIVQPWSA-N 1 0 338.398 2.786 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)c3cocn3)C2)cc1C ZINC000980971047 718025034 /nfs/dbraw/zinc/02/50/34/718025034.db2.gz AHDWSQQBYCLDRC-JKSUJKDBSA-N 1 0 343.427 2.822 20 10 EFCDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000093419183 715167083 /nfs/dbraw/zinc/16/70/83/715167083.db2.gz SLEVYFNNEITOAS-QGZVFWFLSA-N 1 0 336.451 2.911 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@]3(C)CCO[C@H]3C)C2)cc1C ZINC001022481757 715177255 /nfs/dbraw/zinc/17/72/55/715177255.db2.gz CVHDPXXLNQJFTN-REGYPHIPSA-N 1 0 346.471 2.556 20 10 EFCDRO CC(C)[NH+]1CCC(CCNC(=O)NCCc2ccc(N)cc2)CC1 ZINC000892038282 715228465 /nfs/dbraw/zinc/22/84/65/715228465.db2.gz COLMNHGEKKCUGH-UHFFFAOYSA-N 1 0 332.492 2.621 20 10 EFCDRO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(OC)c(OC)c2O)cc1 ZINC000892044384 715232273 /nfs/dbraw/zinc/23/22/73/715232273.db2.gz IYIFTNDRADZGSW-INIZCTEOSA-N 1 0 347.411 2.583 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccn(C)c3C)C2)cc1C ZINC001022672064 715284427 /nfs/dbraw/zinc/28/44/27/715284427.db2.gz BEPCJBBKCUWBMT-CALCHBBNSA-N 1 0 341.455 2.701 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c(O)c1OC ZINC000892223232 715373040 /nfs/dbraw/zinc/37/30/40/715373040.db2.gz HBNJZTHBTGOVAQ-DZGCQCFKSA-N 1 0 331.416 2.689 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c(O)c1OC ZINC000893435709 715393992 /nfs/dbraw/zinc/39/39/92/715393992.db2.gz UUPWMZOZFOGCOE-OWJWWREXSA-N 1 0 349.452 2.619 20 10 EFCDRO CC[C@@H]1C[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001027077797 715510266 /nfs/dbraw/zinc/51/02/66/715510266.db2.gz RQSQIXOUEGMLRV-KZNAEPCWSA-N 1 0 330.472 2.988 20 10 EFCDRO COc1cccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1O ZINC000121315733 724432468 /nfs/dbraw/zinc/43/24/68/724432468.db2.gz LCXQELRNBKIYNL-UHFFFAOYSA-N 1 0 342.439 2.869 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@]3(C)CCCOC3)C2)cc1C ZINC001022900796 715914676 /nfs/dbraw/zinc/91/46/76/715914676.db2.gz IVDSFVXPIQDBGI-QKLQHJQFSA-N 1 0 346.471 2.557 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H]3CCCOC3)C2)cc1C ZINC001023100271 716148175 /nfs/dbraw/zinc/14/81/75/716148175.db2.gz FBOFBIAIZQMVTF-OKZBNKHCSA-N 1 0 346.471 2.557 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2COc3ccccc3C2)c(O)c1OC ZINC000892403168 717054929 /nfs/dbraw/zinc/05/49/29/717054929.db2.gz WNJANGPDJLEUOI-ZDUSSCGKSA-N 1 0 329.396 2.750 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C=C3CCSCC3)cc2)CC1 ZINC000893607344 717357168 /nfs/dbraw/zinc/35/71/68/717357168.db2.gz GKXBHURSIOXDAD-UHFFFAOYSA-N 1 0 345.512 2.508 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)c3cc[nH]c3)C2)cc1C ZINC000980589090 717460170 /nfs/dbraw/zinc/46/01/70/717460170.db2.gz UOJLVEXSQBCXPG-NVXWUHKLSA-N 1 0 341.455 2.972 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)c3cnco3)C2)cc1C ZINC000980665053 717565849 /nfs/dbraw/zinc/56/58/49/717565849.db2.gz IUAGRPOACKXLTA-GOEBONIOSA-N 1 0 343.427 2.632 20 10 EFCDRO CC(C)[NH2+]C[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001024281920 717567578 /nfs/dbraw/zinc/56/75/78/717567578.db2.gz HDOPCJNNJBZKRG-CYBMUJFWSA-N 1 0 331.420 2.699 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)C(F)F)C2)cc1C ZINC000980841522 717822770 /nfs/dbraw/zinc/82/27/70/717822770.db2.gz LVAWVBSPOBFRMS-ZIAGYGMSSA-N 1 0 326.387 2.786 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)CSC)C2)cc1C ZINC000980344674 718087299 /nfs/dbraw/zinc/08/72/99/718087299.db2.gz MVABKXBVCQYELR-GDBMZVCRSA-N 1 0 336.501 2.693 20 10 EFCDRO Cc1ccc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(O)c1O ZINC000177672572 718154909 /nfs/dbraw/zinc/15/49/09/718154909.db2.gz JINKLGHIAGGYGU-KBPBESRZSA-N 1 0 334.460 2.894 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC2CC2)cc1 ZINC001024820479 718177144 /nfs/dbraw/zinc/17/71/44/718177144.db2.gz ZQLRVLNBBKIKNF-MRXNPFEDSA-N 1 0 343.431 2.843 20 10 EFCDRO COc1ccc(C[NH2+]CCN2Cc3ccccc3C2)c(O)c1OC ZINC000892521830 718204658 /nfs/dbraw/zinc/20/46/58/718204658.db2.gz HNBORQBCIBQAHO-UHFFFAOYSA-N 1 0 328.412 2.515 20 10 EFCDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC3CCC3)C2)cc(OC)n1 ZINC000981198901 718493217 /nfs/dbraw/zinc/49/32/17/718493217.db2.gz LMJWFCLCWARDJK-JKSUJKDBSA-N 1 0 347.459 2.530 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)c3cnco3)C2)cc1C ZINC000981255660 718571559 /nfs/dbraw/zinc/57/15/59/718571559.db2.gz ZLFIBHRESYYGLE-HZPDHXFCSA-N 1 0 343.427 2.822 20 10 EFCDRO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCC[N@H+](CCF)C1 ZINC001025631701 719259694 /nfs/dbraw/zinc/25/96/94/719259694.db2.gz DEWAMEIJKZATSX-TZMCWYRMSA-N 1 0 349.410 2.649 20 10 EFCDRO COc1ccc(C[NH2+]CCOc2ccc(F)c(F)c2)c(O)c1OC ZINC000892920090 719277512 /nfs/dbraw/zinc/27/75/12/719277512.db2.gz SEEMPTYZZFKBTB-UHFFFAOYSA-N 1 0 339.338 2.856 20 10 EFCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC000067010377 719437496 /nfs/dbraw/zinc/43/74/96/719437496.db2.gz GNRJWWYGAJATNC-AWEZNQCLSA-N 1 0 348.468 2.763 20 10 EFCDRO CCC(CC)[NH2+]CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000893133428 719720645 /nfs/dbraw/zinc/72/06/45/719720645.db2.gz BBIWYYJSBAFITR-UHFFFAOYSA-N 1 0 330.476 2.640 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)C4CC4)C[C@@H]32)cc1C ZINC001026166035 719831173 /nfs/dbraw/zinc/83/11/73/719831173.db2.gz SLSWKBOMJUORHA-OKZBNKHCSA-N 1 0 328.456 2.740 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)c3ccc(C[NH3+])o3)cc2)CC1 ZINC000236676392 719958975 /nfs/dbraw/zinc/95/89/75/719958975.db2.gz XIEYNSHFYTUUKO-UHFFFAOYSA-N 1 0 327.428 2.905 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCc2cccc(C)c2)c1 ZINC000182412885 720127032 /nfs/dbraw/zinc/12/70/32/720127032.db2.gz DDZQWDHVZWPFLD-AWEZNQCLSA-N 1 0 328.412 2.676 20 10 EFCDRO C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccc[nH]1 ZINC000893898118 720144364 /nfs/dbraw/zinc/14/43/64/720144364.db2.gz PSZMMLOMNFYXRB-KBXCAEBGSA-N 1 0 343.475 2.744 20 10 EFCDRO C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccc[nH]1 ZINC000893898121 720144643 /nfs/dbraw/zinc/14/46/43/720144643.db2.gz PSZMMLOMNFYXRB-RDTXWAMCSA-N 1 0 343.475 2.744 20 10 EFCDRO C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccc[nH]1 ZINC000893898120 720144659 /nfs/dbraw/zinc/14/46/59/720144659.db2.gz PSZMMLOMNFYXRB-KSSFIOAISA-N 1 0 343.475 2.744 20 10 EFCDRO COc1ccc([C@H](CO)[N@H+](C)Cc2cc(C)cc(OC)c2O)cc1 ZINC000894027636 720240000 /nfs/dbraw/zinc/24/00/00/720240000.db2.gz SBSJNYVLWFMNKY-KRWDZBQOSA-N 1 0 331.412 2.883 20 10 EFCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894075407 720269015 /nfs/dbraw/zinc/26/90/15/720269015.db2.gz CIEQQSFEACDBKY-AWEZNQCLSA-N 1 0 346.196 2.679 20 10 EFCDRO COc1ccc2c(c1)OC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)C2 ZINC000893264667 720348928 /nfs/dbraw/zinc/34/89/28/720348928.db2.gz GLZRKMKSVNPELC-AWEZNQCLSA-N 1 0 345.395 2.511 20 10 EFCDRO CCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028341124 720400840 /nfs/dbraw/zinc/40/08/40/720400840.db2.gz ZGGFDMJFUAAKBO-OAHLLOKOSA-N 1 0 331.420 2.843 20 10 EFCDRO CCOC(=O)C[C@@](C)([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000185232616 720405000 /nfs/dbraw/zinc/40/50/00/720405000.db2.gz ISJUMJSCSSHTGY-HXUWFJFHSA-N 1 0 348.487 2.981 20 10 EFCDRO O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cccc(O)c1O ZINC000186754948 720479947 /nfs/dbraw/zinc/47/99/47/720479947.db2.gz YRWMVZCDZGNHAK-AWEZNQCLSA-N 1 0 330.384 2.648 20 10 EFCDRO CC[C@H](F)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028344860 720530318 /nfs/dbraw/zinc/53/03/18/720530318.db2.gz QCQJAPAQBOKXRU-DZGCQCFKSA-N 1 0 349.410 2.791 20 10 EFCDRO CCC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]12 ZINC001026429906 720565030 /nfs/dbraw/zinc/56/50/30/720565030.db2.gz GROBQNDLFLBMGY-FVQBIDKESA-N 1 0 343.431 2.699 20 10 EFCDRO CC(C)[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]12 ZINC001026430647 720568409 /nfs/dbraw/zinc/56/84/09/720568409.db2.gz RDCKQKJKHKIJIR-VNQPRFMTSA-N 1 0 343.431 2.698 20 10 EFCDRO CC(C)[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]21 ZINC001026430639 720568492 /nfs/dbraw/zinc/56/84/92/720568492.db2.gz RDCKQKJKHKIJIR-CWRNSKLLSA-N 1 0 343.431 2.698 20 10 EFCDRO CCN1CCC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)CC1=O ZINC000189214490 720593803 /nfs/dbraw/zinc/59/38/03/720593803.db2.gz YHLSMRUSFZDJKG-UHFFFAOYSA-N 1 0 328.412 2.608 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)NCCC(F)(F)F)[NH+](C)C)cc1 ZINC000893338838 720785425 /nfs/dbraw/zinc/78/54/25/720785425.db2.gz SGOPBEZBNZGOBD-AWEZNQCLSA-N 1 0 346.397 2.607 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CC(F)(F)F)C2)cc1C ZINC001026720272 720970914 /nfs/dbraw/zinc/97/09/14/720970914.db2.gz WLTHBOYBBHKZTB-AWEZNQCLSA-N 1 0 344.377 2.894 20 10 EFCDRO COCC(=O)Nc1cccc(C[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894165307 721019736 /nfs/dbraw/zinc/01/97/36/721019736.db2.gz PFVVMFPFQVARSQ-UHFFFAOYSA-N 1 0 344.411 2.584 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)c1O ZINC000894165737 721023645 /nfs/dbraw/zinc/02/36/45/721023645.db2.gz FVNPLBGOBIYWIQ-UHFFFAOYSA-N 1 0 344.411 2.697 20 10 EFCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)c1O ZINC000894165933 721024304 /nfs/dbraw/zinc/02/43/04/721024304.db2.gz PHLMBUDHQRGVBZ-UHFFFAOYSA-N 1 0 338.411 2.639 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C3CC=CC3)C2)cc1C ZINC001026745682 721025408 /nfs/dbraw/zinc/02/54/08/721025408.db2.gz HECGQRRELFDGPW-QGZVFWFLSA-N 1 0 328.456 2.908 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)/C=C\C3CC3)C2)cc1C ZINC001026754110 721045259 /nfs/dbraw/zinc/04/52/59/721045259.db2.gz WTZOGAXZZIIBRY-XOWYPZSQSA-N 1 0 328.456 2.908 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CC3(C)C)C2)cc1C ZINC001026788176 721116130 /nfs/dbraw/zinc/11/61/30/721116130.db2.gz CQMIIUPTXULHQK-DLBZAZTESA-N 1 0 330.472 2.988 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC3(F)F)C2)cc1C ZINC001026831394 721188517 /nfs/dbraw/zinc/18/85/17/721188517.db2.gz WPVMPDDWZPXUEX-CABCVRRESA-N 1 0 338.398 2.597 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CC3(F)F)C2)cc1C ZINC001026831397 721188678 /nfs/dbraw/zinc/18/86/78/721188678.db2.gz WPVMPDDWZPXUEX-LSDHHAIUSA-N 1 0 338.398 2.597 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C2CCN(Cc3ccccn3)CC2)c1O ZINC000894190306 721188694 /nfs/dbraw/zinc/18/86/94/721188694.db2.gz MLERILRJSVXSPB-UHFFFAOYSA-N 1 0 341.455 2.858 20 10 EFCDRO COc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)cc1[N+](=O)[O-] ZINC000894207178 721208111 /nfs/dbraw/zinc/20/81/11/721208111.db2.gz RWHFROYRAUTAPA-UHFFFAOYSA-N 1 0 332.356 2.916 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)c1O ZINC000894211582 721258936 /nfs/dbraw/zinc/25/89/36/721258936.db2.gz RRNOEZDWHLWFRA-HNNXBMFYSA-N 1 0 326.396 2.604 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1O ZINC000894229237 721333241 /nfs/dbraw/zinc/33/32/41/721333241.db2.gz MUHVNKYASPWALQ-UHFFFAOYSA-N 1 0 332.356 2.786 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CC3(CO2)CCN(C(C)=O)CC3)cc1C ZINC000982868824 721382103 /nfs/dbraw/zinc/38/21/03/721382103.db2.gz RZBREDNPVFSNAI-GOSISDBHSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](F)C(C)C)C2)cc1C ZINC001027006929 721503238 /nfs/dbraw/zinc/50/32/38/721503238.db2.gz SIGUAZDMWCSAND-AEFFLSMTSA-N 1 0 336.451 2.936 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](F)C(C)C)C2)cc1C ZINC001027006930 721503242 /nfs/dbraw/zinc/50/32/42/721503242.db2.gz SIGUAZDMWCSAND-FUHWJXTLSA-N 1 0 336.451 2.936 20 10 EFCDRO COc1ccc(C[NH2+][C@]2(CO)CCCc3ccccc32)c(O)c1OC ZINC000894250996 721742843 /nfs/dbraw/zinc/74/28/43/721742843.db2.gz DJSZYRWJAPDKNM-FQEVSTJZSA-N 1 0 343.423 2.723 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3ccccn3)C2)cc1C ZINC000983009064 721758990 /nfs/dbraw/zinc/75/89/90/721758990.db2.gz NKTJLXAWBYOAPF-QAQDUYKDSA-N 1 0 339.439 2.697 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCCNC(=O)c2cccs2)c1O ZINC000894256462 721764106 /nfs/dbraw/zinc/76/41/06/721764106.db2.gz BIFLMJXNSXEBGB-UHFFFAOYSA-N 1 0 334.441 2.680 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3ccc[nH]3)C2)cc1C ZINC000983144011 721851432 /nfs/dbraw/zinc/85/14/32/721851432.db2.gz JGLLPEAISVLBRM-WKILWMFISA-N 1 0 327.428 2.630 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)C3CC=CC3)C2)cc1C ZINC000983371804 722085661 /nfs/dbraw/zinc/08/56/61/722085661.db2.gz QNTNCOSKZIGCSJ-SAABIXHNSA-N 1 0 328.456 2.954 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCn2c(=O)[nH]c3ccccc32)c1O ZINC000894323841 722092311 /nfs/dbraw/zinc/09/23/11/722092311.db2.gz PNJQFCALZWLUSC-UHFFFAOYSA-N 1 0 327.384 2.554 20 10 EFCDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000894325774 722095993 /nfs/dbraw/zinc/09/59/93/722095993.db2.gz YCEOXKCBNQJLCU-DFFLPILJSA-N 1 0 325.474 2.879 20 10 EFCDRO C[C@@H](F)CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013826 722637449 /nfs/dbraw/zinc/63/74/49/722637449.db2.gz IPXPJIUXOGCLIF-CHWSQXEVSA-N 1 0 349.410 2.649 20 10 EFCDRO CCCN(C(=O)NCCCSc1nccs1)C1CC[NH2+]CC1 ZINC000841857463 722640704 /nfs/dbraw/zinc/64/07/04/722640704.db2.gz OQMKLFFUYDIEOH-UHFFFAOYSA-N 1 0 342.534 2.799 20 10 EFCDRO CCc1ccc([C@H](O)C[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000894392059 722689146 /nfs/dbraw/zinc/68/91/46/722689146.db2.gz XANOSYABCXYJIR-MRXNPFEDSA-N 1 0 331.412 2.795 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](O)c2ccc(C)cc2)c(O)c1OC ZINC000894411014 722717360 /nfs/dbraw/zinc/71/73/60/722717360.db2.gz BMMSYIHQIYKWAN-CXAGYDPISA-N 1 0 331.412 2.930 20 10 EFCDRO COC(=O)C[C@](C)([NH2+]Cc1cc(C)cc(OC)c1O)c1ccncc1 ZINC000894491735 722756888 /nfs/dbraw/zinc/75/68/88/722756888.db2.gz REMCFVBIMFCOJO-IBGZPJMESA-N 1 0 344.411 2.672 20 10 EFCDRO C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CCN(Cc2ccccc2)C1=O ZINC000894540750 722776346 /nfs/dbraw/zinc/77/63/46/722776346.db2.gz MWOSVTBNAPKKLF-KRWDZBQOSA-N 1 0 346.377 2.903 20 10 EFCDRO COc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(O)c1OC ZINC000894553964 722781097 /nfs/dbraw/zinc/78/10/97/722781097.db2.gz VYQJALXZBFZXJZ-CRAIPNDOSA-N 1 0 333.428 2.943 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c1O ZINC000894789669 722845219 /nfs/dbraw/zinc/84/52/19/722845219.db2.gz IONYDMMKQYHTAM-FXAWDEMLSA-N 1 0 327.424 2.965 20 10 EFCDRO COC(=O)[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)CC(C)C ZINC000894790175 722845455 /nfs/dbraw/zinc/84/54/55/722845455.db2.gz HMARWNHLBBKSAR-KRWDZBQOSA-N 1 0 348.487 2.573 20 10 EFCDRO COc1ccc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c(O)c1OC ZINC000894912219 723026693 /nfs/dbraw/zinc/02/66/93/723026693.db2.gz AYMYVYFJTPDXQW-UHFFFAOYSA-N 1 0 347.455 2.686 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)NCC2CC=CC2)[NH+](C)C)cc1 ZINC000895962334 723068417 /nfs/dbraw/zinc/06/84/17/723068417.db2.gz YUACONXZJJBNIN-SFHVURJKSA-N 1 0 330.476 2.621 20 10 EFCDRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCc2ccccc2O)cc1 ZINC000896015760 723097057 /nfs/dbraw/zinc/09/70/57/723097057.db2.gz SJNXSSYFLCYOQG-SFHVURJKSA-N 1 0 328.412 2.756 20 10 EFCDRO COc1ccc(N2CCC(NC(=O)[C@H]3CC[N@@H+]3C(C)(C)C)CC2)cc1 ZINC000896086744 723124852 /nfs/dbraw/zinc/12/48/52/723124852.db2.gz IFZNSOUMVZCLIE-GOSISDBHSA-N 1 0 345.487 2.653 20 10 EFCDRO Cc1ccc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000896124727 723143023 /nfs/dbraw/zinc/14/30/23/723143023.db2.gz HYDHSZZTOBOKNS-SFHVURJKSA-N 1 0 344.459 2.756 20 10 EFCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000896127141 723144568 /nfs/dbraw/zinc/14/45/68/723144568.db2.gz XRANFNCCWGHMLO-SKDRFNHKSA-N 1 0 328.206 2.586 20 10 EFCDRO CCC[N@H+](Cc1ccc(OCC(N)=O)cc1)Cc1ccccc1O ZINC000727830900 723186637 /nfs/dbraw/zinc/18/66/37/723186637.db2.gz UKXLXXDSZVKDRL-UHFFFAOYSA-N 1 0 328.412 2.669 20 10 EFCDRO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895084684 723238924 /nfs/dbraw/zinc/23/89/24/723238924.db2.gz GMSGMYPONIWTRT-AWEZNQCLSA-N 1 0 346.377 2.809 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CC23CCC3)[NH+](C)C)cc1 ZINC000896318302 723251011 /nfs/dbraw/zinc/25/10/11/723251011.db2.gz FWPLXBACKPHZST-IRXDYDNUSA-N 1 0 330.476 2.597 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CC23CCC3)[NH+](C)C)cc1 ZINC000896318300 723251055 /nfs/dbraw/zinc/25/10/55/723251055.db2.gz FWPLXBACKPHZST-DLBZAZTESA-N 1 0 330.476 2.597 20 10 EFCDRO COc1ccc(C[N@H+](C)C[C@]2(O)CCc3ccccc32)c(O)c1OC ZINC000895090351 723257470 /nfs/dbraw/zinc/25/74/70/723257470.db2.gz MFEMNTAUFHIDLN-HXUWFJFHSA-N 1 0 343.423 2.675 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c(C(F)(F)F)c1 ZINC000896380844 723286184 /nfs/dbraw/zinc/28/61/84/723286184.db2.gz LYVUEAVTIRZIEB-ZDUSSCGKSA-N 1 0 344.377 2.966 20 10 EFCDRO CCN1CCC[C@@H]([NH2+]Cc2cc(Br)cc(C)c2O)C1=O ZINC000896732645 723454690 /nfs/dbraw/zinc/45/46/90/723454690.db2.gz AVYAJTDHTGAWIW-CYBMUJFWSA-N 1 0 341.249 2.564 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000181291246 728836883 /nfs/dbraw/zinc/83/68/83/728836883.db2.gz WFFSMFMZWHUDHY-CQSZACIVSA-N 1 0 333.451 2.993 20 10 EFCDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCCSc1nccs1 ZINC000154650836 728842905 /nfs/dbraw/zinc/84/29/05/728842905.db2.gz NTTIBVOXHUBTGT-CYBMUJFWSA-N 1 0 342.534 2.607 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H](C[NH2+]CC3CCC3)C2)cc1 ZINC000985160534 723899907 /nfs/dbraw/zinc/89/99/07/723899907.db2.gz XTNHLVGJVXHXPJ-SAZUREKKSA-N 1 0 343.431 2.747 20 10 EFCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000896957875 723913830 /nfs/dbraw/zinc/91/38/30/723913830.db2.gz DYCWNSVRIXKIFI-JTQLQIEISA-N 1 0 328.206 2.540 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CC2(S(C)(=O)=O)CCCCC2)c1O ZINC000895271224 723963412 /nfs/dbraw/zinc/96/34/12/723963412.db2.gz NQKMGCNZPBDVBW-UHFFFAOYSA-N 1 0 341.473 2.546 20 10 EFCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(N(C)C(C)=O)cc2)c1O ZINC000895394066 724109372 /nfs/dbraw/zinc/10/93/72/724109372.db2.gz UFAPYSWTVGFMJU-UHFFFAOYSA-N 1 0 328.412 2.982 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)c(O)c1OC ZINC000895461362 724144105 /nfs/dbraw/zinc/14/41/05/724144105.db2.gz XYIFMSXUYHEILF-BBRMVZONSA-N 1 0 331.412 2.664 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)c1 ZINC000895494046 724159729 /nfs/dbraw/zinc/15/97/29/724159729.db2.gz VAQBXECDCADPMS-HNNXBMFYSA-N 1 0 348.349 2.574 20 10 EFCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000895493965 724159837 /nfs/dbraw/zinc/15/98/37/724159837.db2.gz RFUZGKDSMLWIOZ-OAHLLOKOSA-N 1 0 332.350 2.874 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2=O)c1 ZINC000895494047 724159864 /nfs/dbraw/zinc/15/98/64/724159864.db2.gz VAQBXECDCADPMS-OAHLLOKOSA-N 1 0 348.349 2.574 20 10 EFCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CC(c2ccc3c(c2)CCO3)=NO1 ZINC000895507200 724166263 /nfs/dbraw/zinc/16/62/63/724166263.db2.gz CZPODRJLRLMDOX-MRXNPFEDSA-N 1 0 342.370 2.749 20 10 EFCDRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3cccc(C)c3O)C2)cc1 ZINC000895495849 724167156 /nfs/dbraw/zinc/16/71/56/724167156.db2.gz ITAZQAMEBUEPQB-KRWDZBQOSA-N 1 0 326.396 2.992 20 10 EFCDRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3cc(OC)ccc3O)C2)cc1 ZINC000895496906 724167856 /nfs/dbraw/zinc/16/78/56/724167856.db2.gz WFBNEIOKWQTZLM-QGZVFWFLSA-N 1 0 342.395 2.692 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C(C)=O)cc2)c(O)c1OC ZINC000895587821 724208592 /nfs/dbraw/zinc/20/85/92/724208592.db2.gz CJTOZVUWWBZPMX-UHFFFAOYSA-N 1 0 344.411 2.682 20 10 EFCDRO CCO/C=C/[C@](O)(C[NH2+]Cc1ccc(OC)c(C)c1)C(F)(F)F ZINC000895706808 724266190 /nfs/dbraw/zinc/26/61/90/724266190.db2.gz IMKHJFZJFHYVGK-KIUWMYQTSA-N 1 0 333.350 2.937 20 10 EFCDRO CCO/C=C\[C@](O)(C[NH2+]Cc1ccc(N(C)C)cc1)C(F)(F)F ZINC000895710423 724270465 /nfs/dbraw/zinc/27/04/65/724270465.db2.gz VFGNZCANAVQCCW-KVPUOBJLSA-N 1 0 332.366 2.686 20 10 EFCDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000895718268 724278332 /nfs/dbraw/zinc/27/83/32/724278332.db2.gz LYJVYCXAAFNQJV-MNDMWVCDSA-N 1 0 345.361 2.945 20 10 EFCDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1cc(Cl)ccc1O)C(F)(F)F ZINC000895709250 724279765 /nfs/dbraw/zinc/27/97/65/724279765.db2.gz YIVFKOVTDJKVPC-CFHLNLSMSA-N 1 0 339.741 2.979 20 10 EFCDRO CCO/C=C\[C@](O)(C[NH2+]Cc1ccc(OCC)cc1O)C(F)(F)F ZINC000895709218 724279844 /nfs/dbraw/zinc/27/98/44/724279844.db2.gz XXMORCRBZDYYDY-LZNQSLFOSA-N 1 0 349.349 2.724 20 10 EFCDRO CCOc1ccc(C[N@H+](CCO)Cc2ccc(OC)cc2)c(O)c1 ZINC000895710066 724280407 /nfs/dbraw/zinc/28/04/07/724280407.db2.gz FLSPLQXHKYBMIV-UHFFFAOYSA-N 1 0 331.412 2.794 20 10 EFCDRO CN1CCCc2cc(C[NH2+]CCS(=O)(=O)c3ccccc3)ccc21 ZINC000727644275 724283178 /nfs/dbraw/zinc/28/31/78/724283178.db2.gz ZCURRJUHGDTXAE-UHFFFAOYSA-N 1 0 344.480 2.633 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=S)NCC(C)(C)C[NH+](C)C)c1 ZINC000728793220 724304929 /nfs/dbraw/zinc/30/49/29/724304929.db2.gz QYVCTNGKEQJYFC-GFCCVEGCSA-N 1 0 339.505 2.514 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CCOCC3)[C@@H]2C)cc1C ZINC000985879212 724941676 /nfs/dbraw/zinc/94/16/76/724941676.db2.gz QVXAIACRNSOWNN-QAPCUYQASA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cccnc3)[C@@H]2C)cc1C ZINC000985894548 724955709 /nfs/dbraw/zinc/95/57/09/724955709.db2.gz DMGSMCCPDBCHSG-QAPCUYQASA-N 1 0 339.439 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccoc3)[C@H]2C)cc1C ZINC000985969067 724991809 /nfs/dbraw/zinc/99/18/09/724991809.db2.gz HLCSNIJYHOXFJQ-YOEHRIQHSA-N 1 0 328.412 2.989 20 10 EFCDRO C/C=C(/C=C\C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)CC ZINC000918857598 728933058 /nfs/dbraw/zinc/93/30/58/728933058.db2.gz QBKBVADUOGMHBO-XBEZRJQQSA-N 1 0 327.472 2.967 20 10 EFCDRO CCC[N@H+](CC)CCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000174653617 725535039 /nfs/dbraw/zinc/53/50/39/725535039.db2.gz GMOQLTNAMHQKIN-UHFFFAOYSA-N 1 0 328.460 2.951 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCOC1 ZINC000151543047 725612923 /nfs/dbraw/zinc/61/29/23/725612923.db2.gz AUIZRZHEYCHTJI-MAUKXSAKSA-N 1 0 336.451 2.692 20 10 EFCDRO C[C@@H]1CC[N@H+](CCNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000897428764 725730995 /nfs/dbraw/zinc/73/09/95/725730995.db2.gz RGGOZJQYXQICIZ-MRXNPFEDSA-N 1 0 344.503 2.768 20 10 EFCDRO C[C@@H]1[C@@H]([NH2+]CCC2CC2)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000987584173 725766561 /nfs/dbraw/zinc/76/65/61/725766561.db2.gz INTMNKQGGVBRPZ-WBMJQRKESA-N 1 0 343.431 2.842 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3ccco3)C2)cc1C ZINC000987793817 725850879 /nfs/dbraw/zinc/85/08/79/725850879.db2.gz KIJOOWAHOYMYKG-GDBMZVCRSA-N 1 0 328.412 2.989 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3ccccn3)C2)cc1C ZINC000987799608 725853564 /nfs/dbraw/zinc/85/35/64/725853564.db2.gz SBHARKAGQBOZBH-NVXWUHKLSA-N 1 0 339.439 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3cccnc3)C2)cc1C ZINC000987813563 725863688 /nfs/dbraw/zinc/86/36/88/725863688.db2.gz NEGMJXYPBVIRCF-MAUKXSAKSA-N 1 0 339.439 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3cccnc3)C2)cc1C ZINC000987813562 725863701 /nfs/dbraw/zinc/86/37/01/725863701.db2.gz NEGMJXYPBVIRCF-CRAIPNDOSA-N 1 0 339.439 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3cc(C)on3)C2)cc1C ZINC000987960180 725925262 /nfs/dbraw/zinc/92/52/62/725925262.db2.gz JYOFIWSGWBBYJP-CZUORRHYSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3cc(C)no3)C2)cc1C ZINC000988031470 726034064 /nfs/dbraw/zinc/03/40/64/726034064.db2.gz SBYVSBMYDGNSDP-GDBMZVCRSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3cccn3C)C2)cc1C ZINC000988155097 726088135 /nfs/dbraw/zinc/08/81/35/726088135.db2.gz IUAFBQRPTCIMRA-DOTOQJQBSA-N 1 0 341.455 2.735 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3cccn3C)C2)cc1C ZINC000988155115 726088248 /nfs/dbraw/zinc/08/82/48/726088248.db2.gz IUAFBQRPTCIMRA-RDJZCZTQSA-N 1 0 341.455 2.735 20 10 EFCDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000152546592 726157664 /nfs/dbraw/zinc/15/76/64/726157664.db2.gz NBSSSVUDZCACTC-KSSFIOAISA-N 1 0 332.419 2.982 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000324186402 726167886 /nfs/dbraw/zinc/16/78/86/726167886.db2.gz IXVPVJWXPUDFPC-QWRGUYRKSA-N 1 0 327.384 2.982 20 10 EFCDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000152735596 726236796 /nfs/dbraw/zinc/23/67/96/726236796.db2.gz VSSUMQMJKBRFBN-OAHLLOKOSA-N 1 0 333.453 2.961 20 10 EFCDRO CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]21 ZINC000992928088 726343380 /nfs/dbraw/zinc/34/33/80/726343380.db2.gz WCTFMAVOVJILHM-FVQBIDKESA-N 1 0 343.431 2.699 20 10 EFCDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000897505304 726349131 /nfs/dbraw/zinc/34/91/31/726349131.db2.gz KOHUYWWIJHGPAL-SNVBAGLBSA-N 1 0 346.258 2.983 20 10 EFCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000152984686 726354156 /nfs/dbraw/zinc/35/41/56/726354156.db2.gz RTKOLEZFYLODSB-CYBMUJFWSA-N 1 0 343.427 2.912 20 10 EFCDRO CN(C)c1ccc([C@@H](CNc2nccc3nccnc32)[NH+](C)C)cc1 ZINC000897522311 726401526 /nfs/dbraw/zinc/40/15/26/726401526.db2.gz LOEWHSQJAKKGAE-QGZVFWFLSA-N 1 0 336.443 2.806 20 10 EFCDRO CN(C)c1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC000897523254 726403135 /nfs/dbraw/zinc/40/31/35/726403135.db2.gz SHNUFFYJUVVHLP-MRXNPFEDSA-N 1 0 347.394 2.910 20 10 EFCDRO CN1C(=O)/C(=C/c2ccc(OCC[NH+]3CCCC3)cc2)SC1=S ZINC000914868196 726800906 /nfs/dbraw/zinc/80/09/06/726800906.db2.gz MDQFRUOTAKFTMY-QINSGFPZSA-N 1 0 348.493 2.992 20 10 EFCDRO CC1CC[NH+](CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000915215089 726900178 /nfs/dbraw/zinc/90/01/78/726900178.db2.gz HEPYVOHWKYDRLO-UHFFFAOYSA-N 1 0 329.488 2.976 20 10 EFCDRO O=c1cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)[nH]c2ccnn21 ZINC000731848093 726941959 /nfs/dbraw/zinc/94/19/59/726941959.db2.gz REHSQVZOYQZAGM-UHFFFAOYSA-N 1 0 338.411 2.673 20 10 EFCDRO COC(=O)c1cc(CN(C)c2ccc(OCC[NH+](C)C)cc2)oc1C ZINC000732410681 727072482 /nfs/dbraw/zinc/07/24/82/727072482.db2.gz GOULIVPEZPNORN-UHFFFAOYSA-N 1 0 346.427 2.951 20 10 EFCDRO COC(=O)c1occc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000732411258 727072523 /nfs/dbraw/zinc/07/25/23/727072523.db2.gz ZFHDUROCTNWEPI-UHFFFAOYSA-N 1 0 332.400 2.643 20 10 EFCDRO C[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000915698768 727119992 /nfs/dbraw/zinc/11/99/92/727119992.db2.gz YKLXMFRMAWWUND-JKSUJKDBSA-N 1 0 332.492 2.672 20 10 EFCDRO c1cc(N2CCCCC2)ccc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000732589493 727167551 /nfs/dbraw/zinc/16/75/51/727167551.db2.gz ARUKEGASISKLLQ-OAQYLSRUSA-N 1 0 343.515 2.974 20 10 EFCDRO c1cc(N2CCCCC2)ccc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000732589492 727167721 /nfs/dbraw/zinc/16/77/21/727167721.db2.gz ARUKEGASISKLLQ-NRFANRHFSA-N 1 0 343.515 2.974 20 10 EFCDRO CCC[N@@H+]1CCC[C@H](C(=O)NCc2ccc3cccnc3c2O)C1 ZINC000911263294 727521252 /nfs/dbraw/zinc/52/12/52/727521252.db2.gz XPGQQSONSHDYNP-INIZCTEOSA-N 1 0 327.428 2.679 20 10 EFCDRO CCc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc(Cl)n1 ZINC000911668494 727576814 /nfs/dbraw/zinc/57/68/14/727576814.db2.gz YCYACUKVENPKJY-INIZCTEOSA-N 1 0 346.862 2.793 20 10 EFCDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000912067736 727646918 /nfs/dbraw/zinc/64/69/18/727646918.db2.gz HMUSLTYQZITQID-GOSISDBHSA-N 1 0 330.476 2.570 20 10 EFCDRO CC(C)[N@H+](C)CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000912106913 727654550 /nfs/dbraw/zinc/65/45/50/727654550.db2.gz OWYTYCXVIQVVHW-UHFFFAOYSA-N 1 0 345.409 2.984 20 10 EFCDRO CC[NH+](CC)CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000912107286 727654637 /nfs/dbraw/zinc/65/46/37/727654637.db2.gz SHTSMYQBLMJLRU-UHFFFAOYSA-N 1 0 345.409 2.985 20 10 EFCDRO CC(C)[NH+]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000916586919 727698668 /nfs/dbraw/zinc/69/86/68/727698668.db2.gz JVZNNVJVEAHWEO-UHFFFAOYSA-N 1 0 330.476 2.522 20 10 EFCDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000912810623 727746975 /nfs/dbraw/zinc/74/69/75/727746975.db2.gz WWEFUQCAKSXNFH-JAWCLOOUSA-N 1 0 332.444 2.690 20 10 EFCDRO C[C@H](NC(=O)NCCCSc1nccs1)C(C)(C)C[NH+](C)C ZINC000154418575 727814607 /nfs/dbraw/zinc/81/46/07/727814607.db2.gz ZEVPXUZHERSRBQ-LBPRGKRZSA-N 1 0 344.550 2.901 20 10 EFCDRO COc1cccc([C@H](CNC(=O)Nc2ccc(N)cc2)[NH+](C)C)c1 ZINC000324904890 727941274 /nfs/dbraw/zinc/94/12/74/727941274.db2.gz WFALNPRESHEUGC-KRWDZBQOSA-N 1 0 328.416 2.702 20 10 EFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)cc1 ZINC000182185449 727983436 /nfs/dbraw/zinc/98/34/36/727983436.db2.gz JKWAKFVKFPXKRY-HXUWFJFHSA-N 1 0 340.467 2.811 20 10 EFCDRO CC(C)CN(CC[NH+](C)C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000057661643 728098977 /nfs/dbraw/zinc/09/89/77/728098977.db2.gz VATGCQACXILPAI-UHFFFAOYSA-N 1 0 346.519 2.798 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2cc(F)ccc2F)c1 ZINC000182366550 728119972 /nfs/dbraw/zinc/11/99/72/728119972.db2.gz LCIQWEGDBYQGAZ-SNVBAGLBSA-N 1 0 336.338 2.968 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2cc(C(C)(C)C)no2)c1 ZINC000182431210 728149451 /nfs/dbraw/zinc/14/94/51/728149451.db2.gz UDJSZUZMIKWAHI-NSHDSACASA-N 1 0 347.415 2.976 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2sccc2C#N)c1 ZINC000182415701 728152867 /nfs/dbraw/zinc/15/28/67/728152867.db2.gz ISHKKONSSVWVDO-SNVBAGLBSA-N 1 0 331.397 2.623 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCCc2ccccc2C)c1 ZINC000182444108 728162988 /nfs/dbraw/zinc/16/29/88/728162988.db2.gz GYCMXPBYRZMKGX-HNNXBMFYSA-N 1 0 342.439 2.719 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(=O)n3c(C)csc3n2)c1 ZINC000182468773 728179376 /nfs/dbraw/zinc/17/93/76/728179376.db2.gz NKEYLZZYGLRUAJ-NSHDSACASA-N 1 0 345.424 2.629 20 10 EFCDRO C[C@H](CCn1cccn1)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000157664073 728183944 /nfs/dbraw/zinc/18/39/44/728183944.db2.gz INEWCNBHLGBILK-IAGOWNOFSA-N 1 0 328.460 2.849 20 10 EFCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CN(Cc3ccccc3)CCO1)CC2 ZINC000382418175 728227057 /nfs/dbraw/zinc/22/70/57/728227057.db2.gz AWDTVZCAYPPGBX-MOPGFXCFSA-N 1 0 338.451 2.870 20 10 EFCDRO [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3c([O-])ccc(Cl)c3F)CC2)C1 ZINC000841102891 728326590 /nfs/dbraw/zinc/32/65/90/728326590.db2.gz BDTDWJDAPWVYSC-WBMJQRKESA-N 1 0 342.842 2.903 20 10 EFCDRO NC(=O)c1cccc(C[NH2+]Cc2cc(Br)ccc2O)c1 ZINC000227436017 728333375 /nfs/dbraw/zinc/33/33/75/728333375.db2.gz NZGHZWKZNFVGJF-UHFFFAOYSA-N 1 0 335.201 2.543 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000171737310 728551060 /nfs/dbraw/zinc/55/10/60/728551060.db2.gz HIPHGSFGXWSWNK-ZDUSSCGKSA-N 1 0 347.459 2.635 20 10 EFCDRO CC1(C)CN(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000171767301 728552398 /nfs/dbraw/zinc/55/23/98/728552398.db2.gz XSVYVVYSZZUWFT-UHFFFAOYSA-N 1 0 331.504 2.877 20 10 EFCDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000172549201 728595580 /nfs/dbraw/zinc/59/55/80/728595580.db2.gz XRRWCACISKKYCQ-IBGZPJMESA-N 1 0 344.503 2.768 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173914083 728642070 /nfs/dbraw/zinc/64/20/70/728642070.db2.gz RFJOAJFHRHJSLG-UHFFFAOYSA-N 1 0 345.447 2.594 20 10 EFCDRO CCOC(=O)CC[N@H+](CC)Cc1cc(Br)ccc1O ZINC000174423015 728664517 /nfs/dbraw/zinc/66/45/17/728664517.db2.gz PASNKXHJRJBSHU-UHFFFAOYSA-N 1 0 330.222 2.930 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000919072125 728968019 /nfs/dbraw/zinc/96/80/19/728968019.db2.gz NBRAHUQCUWRSPO-UHFFFAOYSA-N 1 0 341.459 2.521 20 10 EFCDRO CCCS(=O)(=O)CCN(C)Cc1ccc(N(CC)CC)cc1 ZINC000919730912 729077377 /nfs/dbraw/zinc/07/73/77/729077377.db2.gz FMIKUPMUNRZIOO-UHFFFAOYSA-N 1 0 326.506 2.789 20 10 EFCDRO CCN(CC)c1ccc(CN(C)C(=S)NC2CC[NH+](C)CC2)cc1 ZINC000920308298 729169910 /nfs/dbraw/zinc/16/99/10/729169910.db2.gz ZJMQKLHKCDFNEB-UHFFFAOYSA-N 1 0 348.560 2.933 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)c3ccon3)C2)cc1C ZINC000994789791 729527651 /nfs/dbraw/zinc/52/76/51/729527651.db2.gz HQYNVPMQMVORSQ-JKSUJKDBSA-N 1 0 343.427 2.680 20 10 EFCDRO COc1cc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c(O)cc1C ZINC000179438868 729537043 /nfs/dbraw/zinc/53/70/43/729537043.db2.gz NDSUYNBECFLIES-UHFFFAOYSA-N 1 0 346.471 2.934 20 10 EFCDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000237651424 729596120 /nfs/dbraw/zinc/59/61/20/729596120.db2.gz VQMMWHIGZOQOOY-HXUWFJFHSA-N 1 0 326.440 2.655 20 10 EFCDRO C[C@@](CO)([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000237653875 729596671 /nfs/dbraw/zinc/59/66/71/729596671.db2.gz GDJSLKBFIJPKTO-FQEVSTJZSA-N 1 0 344.430 2.660 20 10 EFCDRO Cc1cccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1O ZINC000179780883 729623954 /nfs/dbraw/zinc/62/39/54/729623954.db2.gz YEDHSUPAWVMQGK-UHFFFAOYSA-N 1 0 327.384 2.931 20 10 EFCDRO [NH3+]C1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCCCC1 ZINC000237931678 729668900 /nfs/dbraw/zinc/66/89/00/729668900.db2.gz GPPNXJYMIDWJPC-UHFFFAOYSA-N 1 0 333.501 2.518 20 10 EFCDRO COc1cc(O)c(C[N@H+](CCO)[C@@H]2CCc3ccccc32)cc1OC ZINC000180242408 729714384 /nfs/dbraw/zinc/71/43/84/729714384.db2.gz NERFWCPVHFCDOH-QGZVFWFLSA-N 1 0 343.423 2.891 20 10 EFCDRO CSC1(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)CC[NH+](C)CC1 ZINC001599784320 987896350 /nfs/dbraw/zinc/89/63/50/987896350.db2.gz LWBLCGIGEGJYJH-GFCCVEGCSA-N 1 0 338.473 2.568 20 10 EFCDRO CSC1(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)CC[NH+](C)CC1 ZINC001599784322 987897638 /nfs/dbraw/zinc/89/76/38/987897638.db2.gz LWBLCGIGEGJYJH-LBPRGKRZSA-N 1 0 338.473 2.568 20 10 EFCDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000865716539 1126115806 /nfs/dbraw/zinc/11/58/06/1126115806.db2.gz VHWQNPGVRIGDQE-HXUWFJFHSA-N 1 0 328.456 2.845 20 10 EFCDRO COc1cccc(O)c1C[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000883003861 1126124521 /nfs/dbraw/zinc/12/45/21/1126124521.db2.gz LWKBPNIUJSECDM-CQSZACIVSA-N 1 0 326.396 2.575 20 10 EFCDRO C[C@@H](NC(=O)[C@H]1CCCCC[C@H]1[NH3+])c1ccc(N2CCOCC2)cc1 ZINC001576221803 1089021498 /nfs/dbraw/zinc/02/14/98/1089021498.db2.gz UDTNDWNYTJHYIJ-AYOQOUSVSA-N 1 0 345.487 2.608 20 10 EFCDRO CC[C@@H]([NH2+]C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC001577167548 1089717691 /nfs/dbraw/zinc/71/76/91/1089717691.db2.gz DMBMBABTZYCBON-CQSZACIVSA-N 1 0 331.382 2.642 20 10 EFCDRO CCN(Cc1ccccc1)c1ccc(CNC[C@]2(O)CC[NH2+]C2)cc1 ZINC001577738318 1090160066 /nfs/dbraw/zinc/16/00/66/1090160066.db2.gz RLHNLKDHRDHSIB-NRFANRHFSA-N 1 0 339.483 2.527 20 10 EFCDRO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CC[NH2+]C2CC2)cc1 ZINC001578425598 1090369153 /nfs/dbraw/zinc/36/91/53/1090369153.db2.gz HMSCFYSLAPQUMG-UHFFFAOYSA-N 1 0 343.393 2.786 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2nc3cc(F)ccc3o2)cc1 ZINC001578424665 1090369722 /nfs/dbraw/zinc/36/97/22/1090369722.db2.gz QRXVRDOLAIZXAB-HNNXBMFYSA-N 1 0 328.391 2.823 20 10 EFCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(C(C)(C)O)cc2)cc1 ZINC001578424581 1090369770 /nfs/dbraw/zinc/36/97/70/1090369770.db2.gz NHZYQGFDOQNNIO-LJQANCHMSA-N 1 0 327.472 2.770 20 10 EFCDRO C[NH2+][C@@H](C)CCNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001578567679 1090398495 /nfs/dbraw/zinc/39/84/95/1090398495.db2.gz BIOFFPPFKBEZFN-ZDUSSCGKSA-N 1 0 338.415 2.516 20 10 EFCDRO C[NH2+]CCOCCN(C)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC001578706318 1090423419 /nfs/dbraw/zinc/42/34/19/1090423419.db2.gz LMPQCWDMXRRDDO-UHFFFAOYSA-N 1 0 343.471 2.711 20 10 EFCDRO CO/C(=C/c1ccccc1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001578764458 1090438713 /nfs/dbraw/zinc/43/87/13/1090438713.db2.gz WYSMSMROHSJATN-DYGKOUCMSA-N 1 0 339.439 2.556 20 10 EFCDRO Cc1cc(C(=O)N(C)CCOCC[NH3+])c(C)n1-c1ccc(Cl)cc1 ZINC001579556365 1090633196 /nfs/dbraw/zinc/63/31/96/1090633196.db2.gz GVRPCWHENBKUTP-UHFFFAOYSA-N 1 0 349.862 2.795 20 10 EFCDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2F)c(C)n1-c1ccc(F)cc1 ZINC001579563761 1090634661 /nfs/dbraw/zinc/63/46/61/1090634661.db2.gz RUCWXMSFWUXDJS-IAGOWNOFSA-N 1 0 333.382 2.663 20 10 EFCDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2F)c(C)n1-c1ccc(F)cc1 ZINC001579563758 1090634784 /nfs/dbraw/zinc/63/47/84/1090634784.db2.gz RUCWXMSFWUXDJS-DLBZAZTESA-N 1 0 333.382 2.663 20 10 EFCDRO Cc1cc(CCNC(=O)[C@H]2[C@@H]3C[NH2+]CC[C@@H]32)c(C)n1-c1ccccc1 ZINC001579593263 1090638661 /nfs/dbraw/zinc/63/86/61/1090638661.db2.gz XXHUXZOUXYRCLB-XUVXKRRUSA-N 1 0 337.467 2.608 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cccc(C[NH3+])c1 ZINC001579616848 1090643850 /nfs/dbraw/zinc/64/38/50/1090643850.db2.gz GZFSAWZYQJCNRB-HNNXBMFYSA-N 1 0 325.456 2.881 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CC[C@@H]1COC(C)(C)[NH2+]1 ZINC001579617390 1090644139 /nfs/dbraw/zinc/64/41/39/1090644139.db2.gz PJIHUMOYJLMZDV-DOTOQJQBSA-N 1 0 347.503 2.613 20 10 EFCDRO [NH3+][C@H](C(=O)N1Cc2cccc(O)c2C1)c1cccc(Br)c1 ZINC001580110561 1090772968 /nfs/dbraw/zinc/77/29/68/1090772968.db2.gz VMJFYXWRBQWDHX-HNNXBMFYSA-N 1 0 347.212 2.697 20 10 EFCDRO [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC001580185317 1090804895 /nfs/dbraw/zinc/80/48/95/1090804895.db2.gz WRPLCWPMVXOXPM-RDJZCZTQSA-N 1 0 342.842 2.903 20 10 EFCDRO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001580309662 1090858193 /nfs/dbraw/zinc/85/81/93/1090858193.db2.gz JHWCLYOUIUWTMP-ALCCZGGFSA-N 1 0 346.814 2.752 20 10 EFCDRO Nc1ccc(CC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC001580443158 1090901073 /nfs/dbraw/zinc/90/10/73/1090901073.db2.gz TZSMPOQSZSRCDH-UHFFFAOYSA-N 1 0 329.488 2.974 20 10 EFCDRO O=C(/C=C\c1ccc(O)c(O)c1)NCCCCCC1CC[NH2+]CC1 ZINC001580493211 1090918967 /nfs/dbraw/zinc/91/89/67/1090918967.db2.gz BDBFSYBXINNBDB-VURMDHGXSA-N 1 0 332.444 2.787 20 10 EFCDRO C[C@@H]([NH2+][C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1ccc(N(C)C)cc1 ZINC001589956428 1093192975 /nfs/dbraw/zinc/19/29/75/1093192975.db2.gz OYIFTHORVTVLOL-ACJLOTCBSA-N 1 0 348.454 2.751 20 10 EFCDRO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590688170 1093549911 /nfs/dbraw/zinc/54/99/11/1093549911.db2.gz XCULRDPHZYNWCC-KGLIPLIRSA-N 1 0 346.479 2.733 20 10 EFCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c(Cl)c1 ZINC001592055735 1093968922 /nfs/dbraw/zinc/96/89/22/1093968922.db2.gz CBFZUBVIXOWJQI-UHFFFAOYSA-N 1 0 329.791 2.824 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c1 ZINC001592186742 1094023769 /nfs/dbraw/zinc/02/37/69/1094023769.db2.gz ZQGRDOKPJSLCAC-NSHDSACASA-N 1 0 327.363 2.871 20 10 EFCDRO c1cc(-c2nn[nH]n2)cc2c1[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)CC2 ZINC001593565747 1094371173 /nfs/dbraw/zinc/37/11/73/1094371173.db2.gz VZSGCAOVPXIFBP-GOSISDBHSA-N 1 0 347.422 2.969 20 10 EFCDRO c1cc(C[NH2+][C@@H]2CCc3cc(-c4nn[nH]n4)ccc32)cc2c1OCC2 ZINC001593565014 1094371970 /nfs/dbraw/zinc/37/19/70/1094371970.db2.gz PFKRIYZHOMMUMJ-QGZVFWFLSA-N 1 0 333.395 2.579 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000782971635 1094640243 /nfs/dbraw/zinc/64/02/43/1094640243.db2.gz KURYSIYEPCXNPS-UHFFFAOYSA-N 1 0 332.492 2.687 20 10 EFCDRO CCOC(=O)C[C@](C)([NH2+]Cc1ccc(OC)c(OC)c1O)C(C)C ZINC000893686555 1095930343 /nfs/dbraw/zinc/93/03/43/1095930343.db2.gz HNRCCRMTBUVWNC-SFHVURJKSA-N 1 0 339.432 2.867 20 10 EFCDRO CCCC[N@H+](Cc1cncc(-c2nn[nH]n2)c1)Cc1ccccc1O ZINC001604182562 1096764909 /nfs/dbraw/zinc/76/49/09/1096764909.db2.gz HMFUPYHZXZBKGD-UHFFFAOYSA-N 1 0 338.415 2.770 20 10 EFCDRO CCCN(Cc1ccc(-c2nn[nH]n2)c(F)c1)c1ccc(C[NH3+])cc1 ZINC001604212652 1096774796 /nfs/dbraw/zinc/77/47/96/1096774796.db2.gz FKDLDLXVPXPLNF-UHFFFAOYSA-N 1 0 340.406 2.881 20 10 EFCDRO c1cc(-c2nn[nH]n2)ccc1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001607115089 1097520757 /nfs/dbraw/zinc/52/07/57/1097520757.db2.gz DENMFHYLSSRWIU-UHFFFAOYSA-N 1 0 334.427 2.757 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cn1)c1cc(Cl)ccc1O ZINC001609194365 1098193407 /nfs/dbraw/zinc/19/34/07/1098193407.db2.gz APAFKIMKGAVCAR-AWEZNQCLSA-N 1 0 344.806 2.862 20 10 EFCDRO O=C(c1cccc(O)c1O)N1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001269608050 1098286696 /nfs/dbraw/zinc/28/66/96/1098286696.db2.gz ROHUHWWNJRIVAY-UHFFFAOYSA-N 1 0 344.455 2.969 20 10 EFCDRO Oc1cccc(Br)c1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222242215 1098633735 /nfs/dbraw/zinc/63/37/35/1098633735.db2.gz CGNLCRBWBSWOJE-HNNXBMFYSA-N 1 0 325.250 2.873 20 10 EFCDRO CCOc1ccc(N2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)cc1 ZINC000008697257 1099027505 /nfs/dbraw/zinc/02/75/05/1099027505.db2.gz YELBWNDHXPAHCV-FQEVSTJZSA-N 1 0 340.467 2.811 20 10 EFCDRO CC[N@H+](CCNC(=O)c1csc(Cc2ccc(N)cc2)n1)C1CC1 ZINC000828263658 1099347397 /nfs/dbraw/zinc/34/73/97/1099347397.db2.gz ZPRYQQSYYMSDED-UHFFFAOYSA-N 1 0 344.484 2.530 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001270703866 1099466460 /nfs/dbraw/zinc/46/64/60/1099466460.db2.gz TYYNCXFFRKGKJO-SOFGYWHQSA-N 1 0 342.439 2.588 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]1C(C)(C)C)cc2=O ZINC000729474029 1099512921 /nfs/dbraw/zinc/51/29/21/1099512921.db2.gz CAWNEBNKBCGMQZ-AWEZNQCLSA-N 1 0 346.431 2.622 20 10 EFCDRO COc1ccc(N2CC[NH+](CCc3ccncc3C)CC2)cc1F ZINC000827984031 1099658168 /nfs/dbraw/zinc/65/81/68/1099658168.db2.gz BKCCALGYKLWIRP-UHFFFAOYSA-N 1 0 329.419 2.902 20 10 EFCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)c3ccon3)CC2)cc1C ZINC001026460433 1099938320 /nfs/dbraw/zinc/93/83/20/1099938320.db2.gz SNUWLOCQYPKXNH-UHFFFAOYSA-N 1 0 343.427 2.822 20 10 EFCDRO CN(C)c1ccc(/C=C/C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC001270931343 1100278999 /nfs/dbraw/zinc/27/89/99/1100278999.db2.gz HLLHBRDLPVDTHZ-JRMCHAMMSA-N 1 0 327.472 2.710 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000840310238 1100993907 /nfs/dbraw/zinc/99/39/07/1100993907.db2.gz QPHPQCDHORTENM-BQFCYCMXSA-N 1 0 346.519 2.774 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cc(C)[nH]c2C)cc1C ZINC001167377883 1101312252 /nfs/dbraw/zinc/31/22/52/1101312252.db2.gz YKFFTOOSSLRRBX-UHFFFAOYSA-N 1 0 329.444 2.858 20 10 EFCDRO COCc1cc(OC)ccc1N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001167378127 1101317509 /nfs/dbraw/zinc/31/75/09/1101317509.db2.gz CVLLSYSYQHWLSS-UHFFFAOYSA-N 1 0 342.439 2.576 20 10 EFCDRO COc1ccc2c(c1)c1c(n2C)CCN(C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208608351 1101400675 /nfs/dbraw/zinc/40/06/75/1101400675.db2.gz HKTMCGDHJLIRBY-HNNXBMFYSA-N 1 0 327.472 2.887 20 10 EFCDRO Cc1c(Cl)ncnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167422974 1101575349 /nfs/dbraw/zinc/57/53/49/1101575349.db2.gz JAOMWRKOSMXHFC-UHFFFAOYSA-N 1 0 331.851 2.802 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3nc(Cl)ccc3N)cc2)CC1 ZINC001167431075 1101612439 /nfs/dbraw/zinc/61/24/39/1101612439.db2.gz FVVYAEKDMORMIE-UHFFFAOYSA-N 1 0 331.851 2.681 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3cc4ccccc4[n+]([O-])c3)cc2)CC1 ZINC001167434308 1101662429 /nfs/dbraw/zinc/66/24/29/1101662429.db2.gz IGWZIGFZXFRJMT-UHFFFAOYSA-N 1 0 348.450 2.837 20 10 EFCDRO COc1ncnc(Cl)c1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167434876 1101664789 /nfs/dbraw/zinc/66/47/89/1101664789.db2.gz XKVXAEMDRUIHTO-UHFFFAOYSA-N 1 0 347.850 2.503 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCNC2=O)c1O ZINC000840826209 1101754901 /nfs/dbraw/zinc/75/49/01/1101754901.db2.gz STMVVXQKKFNMIT-QWRGUYRKSA-N 1 0 341.249 2.640 20 10 EFCDRO CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]2C1 ZINC001088216546 1101904219 /nfs/dbraw/zinc/90/42/19/1101904219.db2.gz NNDYCGOQJMRIBF-CABCVRRESA-N 1 0 343.431 2.653 20 10 EFCDRO CC(C)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]2C1 ZINC001088216449 1101905222 /nfs/dbraw/zinc/90/52/22/1101905222.db2.gz IUVKEQNXTYRSNC-CABCVRRESA-N 1 0 343.431 2.651 20 10 EFCDRO C[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)[N@H+](C)Cc1ccccc1 ZINC000588406554 1101927024 /nfs/dbraw/zinc/92/70/24/1101927024.db2.gz YTLYINAKDBJUSZ-ZHUYAKLQSA-N 1 0 340.423 2.748 20 10 EFCDRO C[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)[N@H+](C)Cc1ccccc1 ZINC000588406551 1101928034 /nfs/dbraw/zinc/92/80/34/1101928034.db2.gz YTLYINAKDBJUSZ-KLQCNHIUSA-N 1 0 340.423 2.748 20 10 EFCDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000588408155 1101989235 /nfs/dbraw/zinc/98/92/35/1101989235.db2.gz XUARGFJYZVYYTL-JKUMZLIPSA-N 1 0 346.471 2.984 20 10 EFCDRO C[C@@]1(CF)CC(F)(F)CN1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001209846198 1102056433 /nfs/dbraw/zinc/05/64/33/1102056433.db2.gz RCXMONHGFDUPBH-INIZCTEOSA-N 1 0 327.394 2.665 20 10 EFCDRO CCOC(=O)c1c(CN2[C@H](C)C[NH2+]C[C@@H]2C)c2ccccc2n1C ZINC001209887821 1102078726 /nfs/dbraw/zinc/07/87/26/1102078726.db2.gz WXADHFRWPXGYNX-OKILXGFUSA-N 1 0 329.444 2.537 20 10 EFCDRO CCc1ncc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000840907067 1102412613 /nfs/dbraw/zinc/41/26/13/1102412613.db2.gz AAVQBHXZVWLHPN-QGZVFWFLSA-N 1 0 327.428 2.926 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]CCC(C)(C)S(C)(=O)=O)cc1 ZINC000840960066 1102581741 /nfs/dbraw/zinc/58/17/41/1102581741.db2.gz DHNUEUWGRULCQR-UHFFFAOYSA-N 1 0 326.506 2.836 20 10 EFCDRO C[C@H]1C[C@H]([NH2+][C@H](c2ccccc2O)[C@H](N)c2ccccc2O)CCO1 ZINC001168094827 1103177863 /nfs/dbraw/zinc/17/78/63/1103177863.db2.gz ZQAWINFNWBXRBR-TUGJPZLJSA-N 1 0 342.439 2.996 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3cccc(F)c3)C1)[C@@H](O)CO2 ZINC000784028549 1103388034 /nfs/dbraw/zinc/38/80/34/1103388034.db2.gz OMIGQQVWQXLGDZ-QAPCUYQASA-N 1 0 345.370 2.610 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@@H](O)c2ccccc2)N(C)C)cc1 ZINC000905706996 1103517098 /nfs/dbraw/zinc/51/70/98/1103517098.db2.gz XDXCKOGWSAPPAM-WOJBJXKFSA-N 1 0 327.472 2.679 20 10 EFCDRO CCCCN(Cc1cn(CCC(C)=O)nn1)Cc1ccccc1O ZINC000906298526 1104096247 /nfs/dbraw/zinc/09/62/47/1104096247.db2.gz IKXPHOJDYARIGO-UHFFFAOYSA-N 1 0 330.432 2.765 20 10 EFCDRO CCCOCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001105905898 1104308840 /nfs/dbraw/zinc/30/88/40/1104308840.db2.gz CZVJMFHLWZVFCZ-SJLPKXTDSA-N 1 0 348.487 2.614 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2coc(C(C)(C)C)n2)cc1C ZINC001127177263 1104457405 /nfs/dbraw/zinc/45/74/05/1104457405.db2.gz IMRXRCJCVZEKTH-UHFFFAOYSA-N 1 0 345.443 2.809 20 10 EFCDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CCCC4)cc3)C[C@@H]21 ZINC000841710325 1104665179 /nfs/dbraw/zinc/66/51/79/1104665179.db2.gz VYVWUBYTLCCTAW-NZSAHSFTSA-N 1 0 342.487 2.556 20 10 EFCDRO CSCC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)C(=O)N(C)C ZINC000841755551 1104822105 /nfs/dbraw/zinc/82/21/05/1104822105.db2.gz JAYJZDQSUDMLST-GWCFXTLKSA-N 1 0 330.881 2.906 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](Cc3nc(C)no3)C2)c1O ZINC000897575481 1105767328 /nfs/dbraw/zinc/76/73/28/1105767328.db2.gz VKCOSHFEGKCEJX-AWEZNQCLSA-N 1 0 331.416 2.855 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](Cc3nc(C)no3)C2)c1O ZINC000897579196 1105776809 /nfs/dbraw/zinc/77/68/09/1105776809.db2.gz QWOSVRGDUSEMII-CQSZACIVSA-N 1 0 331.416 2.937 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC(N3CCCOC3=O)CC2)c1O ZINC000897592238 1105820459 /nfs/dbraw/zinc/82/04/59/1105820459.db2.gz SFKHNQZCKCEIML-UHFFFAOYSA-N 1 0 334.416 2.598 20 10 EFCDRO CCC[NH2+]CCNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841960855 1106048139 /nfs/dbraw/zinc/04/81/39/1106048139.db2.gz HOYRGFVACKYLHF-UHFFFAOYSA-N 1 0 331.416 2.697 20 10 EFCDRO C[C@@H](CC[NH3+])NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000841968060 1106067129 /nfs/dbraw/zinc/06/71/29/1106067129.db2.gz SMOOZGSPVMSSEH-HNNXBMFYSA-N 1 0 344.459 2.795 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3cnn(C4CCC4)c3)cc2)CC1 ZINC000897877896 1106127688 /nfs/dbraw/zinc/12/76/88/1106127688.db2.gz PTXVRVALKUOVRD-UHFFFAOYSA-N 1 0 325.460 2.972 20 10 EFCDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000897891409 1106133717 /nfs/dbraw/zinc/13/37/17/1106133717.db2.gz GBNQWNDCSCMSOQ-UYAOXDASSA-N 1 0 343.423 2.865 20 10 EFCDRO Oc1cc(F)c(F)cc1CN1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001142525097 1106166374 /nfs/dbraw/zinc/16/63/74/1106166374.db2.gz XFYFQGNWALILAG-UHFFFAOYSA-N 1 0 330.378 2.988 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000842014988 1106177778 /nfs/dbraw/zinc/17/77/78/1106177778.db2.gz KISFGJNBBQYZDR-HYVNUMGLSA-N 1 0 331.460 2.702 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000842014989 1106177923 /nfs/dbraw/zinc/17/79/23/1106177923.db2.gz KISFGJNBBQYZDR-USXIJHARSA-N 1 0 331.460 2.702 20 10 EFCDRO Fc1cc(CN2CCC([NH2+]C3CCC3)CC2)ccc1N1CCOCC1 ZINC000897982183 1106184830 /nfs/dbraw/zinc/18/48/30/1106184830.db2.gz XBZGAFRBSXPDHT-UHFFFAOYSA-N 1 0 347.478 2.769 20 10 EFCDRO COc1cc(C)cc(C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)c1O ZINC000898139869 1106248337 /nfs/dbraw/zinc/24/83/37/1106248337.db2.gz OPKRKGJOERQQJW-SJLPKXTDSA-N 1 0 327.424 2.745 20 10 EFCDRO OCCc1ccc(C[NH2+]Cc2c(O)cccc2Br)cc1 ZINC000898169671 1106257673 /nfs/dbraw/zinc/25/76/73/1106257673.db2.gz KMCDRPYNPRYEAN-UHFFFAOYSA-N 1 0 336.229 2.979 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)Cc3ccco3)C2)cc1C ZINC000989582309 1106455354 /nfs/dbraw/zinc/45/53/54/1106455354.db2.gz HUKNHFXWFIANDD-WBVHZDCISA-N 1 0 342.439 2.918 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3nccs3)C2)cc1C ZINC000989602451 1106471700 /nfs/dbraw/zinc/47/17/00/1106471700.db2.gz UELDILYESCPKGK-UKRRQHHQSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3nocc3C)C2)cc1C ZINC000989654863 1106514331 /nfs/dbraw/zinc/51/43/31/1106514331.db2.gz YATGULQNJZVFIX-GDBMZVCRSA-N 1 0 343.427 2.693 20 10 EFCDRO CC(C)=CC[N@@H+]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000989760776 1106627967 /nfs/dbraw/zinc/62/79/67/1106627967.db2.gz BRGSMIVOBAGCLT-UHFFFAOYSA-N 1 0 343.431 2.963 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)Cc3ccc[nH]3)C2)cc1C ZINC000989819651 1106681412 /nfs/dbraw/zinc/68/14/12/1106681412.db2.gz LNGVHVMMNJBQEB-QAPCUYQASA-N 1 0 341.455 2.653 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)Cc3ccc[nH]3)C2)cc1C ZINC000989819649 1106681469 /nfs/dbraw/zinc/68/14/69/1106681469.db2.gz LNGVHVMMNJBQEB-CRAIPNDOSA-N 1 0 341.455 2.653 20 10 EFCDRO CC(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000989838752 1106696037 /nfs/dbraw/zinc/69/60/37/1106696037.db2.gz OJTLQNCXGXFGSE-WFASDCNBSA-N 1 0 331.420 2.698 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)C3CCOCC3)CC2)cc1C ZINC000989851680 1106714507 /nfs/dbraw/zinc/71/45/07/1106714507.db2.gz SAJXBEKRZUVBKO-UHFFFAOYSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3cc(C)on3)CC2)cc1C ZINC000989909346 1106869525 /nfs/dbraw/zinc/86/95/25/1106869525.db2.gz UNHCPDMNELTJGE-UHFFFAOYSA-N 1 0 343.427 2.694 20 10 EFCDRO Cc1cc(Br)cc(CN(C)C[C@@H]2CCC[N@@H+]2C)c1O ZINC000160970261 1106950135 /nfs/dbraw/zinc/95/01/35/1106950135.db2.gz UCFQDWCPFYHQFW-AWEZNQCLSA-N 1 0 327.266 2.989 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@H](C)SC)CC2)cc1C ZINC000989986203 1107146200 /nfs/dbraw/zinc/14/62/00/1107146200.db2.gz LHDBHTCCKCGPMK-AWEZNQCLSA-N 1 0 336.501 2.836 20 10 EFCDRO C[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1CCC1CC1 ZINC001089067935 1107404173 /nfs/dbraw/zinc/40/41/73/1107404173.db2.gz CSBGMGZZFWENSA-WBMJQRKESA-N 1 0 343.431 2.842 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ncoc3C)CC2)cc1C ZINC000990159056 1107405995 /nfs/dbraw/zinc/40/59/95/1107405995.db2.gz LXSPLPWFPJFOHZ-UHFFFAOYSA-N 1 0 343.427 2.694 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)C3=COCCC3)CC2)cc1C ZINC000990235037 1107527520 /nfs/dbraw/zinc/52/75/20/1107527520.db2.gz RTJVBQSCBQTGJM-UHFFFAOYSA-N 1 0 344.455 2.779 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCO[C@H](C)C2)cc1Br ZINC001233135738 1107656792 /nfs/dbraw/zinc/65/67/92/1107656792.db2.gz YZLKTZNJQRHTSM-SNVBAGLBSA-N 1 0 330.222 2.774 20 10 EFCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000904353032 1107837800 /nfs/dbraw/zinc/83/78/00/1107837800.db2.gz GNYPZTJTHBXRKV-LJQANCHMSA-N 1 0 325.456 2.867 20 10 EFCDRO CC[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001272385615 1108147046 /nfs/dbraw/zinc/14/70/46/1108147046.db2.gz DAEKAQGLYIKYHU-CZUORRHYSA-N 1 0 332.444 2.615 20 10 EFCDRO CC(C)=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(O)ccc1O ZINC001272386255 1108148566 /nfs/dbraw/zinc/14/85/66/1108148566.db2.gz KUHWVDYBDHENEE-IAGOWNOFSA-N 1 0 330.428 2.629 20 10 EFCDRO O[C@@H](CCOCc1ccccc1)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000905090417 1108378090 /nfs/dbraw/zinc/37/80/90/1108378090.db2.gz SVLRUYKJTFKBLG-IBGZPJMESA-N 1 0 327.424 2.679 20 10 EFCDRO CC[C@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000128164555 1108754776 /nfs/dbraw/zinc/75/47/76/1108754776.db2.gz VKWHNSFKXDQPBH-ZFWWWQNUSA-N 1 0 326.868 2.988 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cnn(C)c2C2CC2)N(C)C)cc1 ZINC000898448270 1108942178 /nfs/dbraw/zinc/94/21/78/1108942178.db2.gz RHKWVNDQFOJBFU-IBGZPJMESA-N 1 0 341.503 2.756 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H](c2nccn2C)C2CC2)N(C)C)cc1 ZINC000898448728 1108942858 /nfs/dbraw/zinc/94/28/58/1108942858.db2.gz VQBKLNIRIDHKLB-RTBURBONSA-N 1 0 341.503 2.830 20 10 EFCDRO COc1cncc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000898448816 1108943046 /nfs/dbraw/zinc/94/30/46/1108943046.db2.gz XUPGWVXGFIYXHV-LJQANCHMSA-N 1 0 328.460 2.549 20 10 EFCDRO COc1ccc(O)c(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000898449354 1108943345 /nfs/dbraw/zinc/94/33/45/1108943345.db2.gz CEIORQWBRDPICG-IBGZPJMESA-N 1 0 343.471 2.859 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cn(C)nc2C2CC2)N(C)C)cc1 ZINC000898447747 1108949733 /nfs/dbraw/zinc/94/97/33/1108949733.db2.gz LBMFFNLWPZOCSZ-LJQANCHMSA-N 1 0 341.503 2.756 20 10 EFCDRO Cc1ccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c(O)c1 ZINC000898720882 1109062103 /nfs/dbraw/zinc/06/21/03/1109062103.db2.gz NNSHODNBCMFJFI-LBPRGKRZSA-N 1 0 336.233 2.764 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)cc1 ZINC000898726362 1109067459 /nfs/dbraw/zinc/06/74/59/1109067459.db2.gz HPIRYSMNRVILCE-ZDUSSCGKSA-N 1 0 349.276 2.816 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)NC2(C3CC3)CC2)[NH+](C)C)cc1 ZINC000899101773 1109202231 /nfs/dbraw/zinc/20/22/31/1109202231.db2.gz MCNQZBJPHXNUEW-KRWDZBQOSA-N 1 0 330.476 2.597 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2ccco2)[NH+](C)C)cc1 ZINC000899102255 1109203286 /nfs/dbraw/zinc/20/32/86/1109203286.db2.gz PCIHRKQKEZFRDL-SFHVURJKSA-N 1 0 344.459 2.790 20 10 EFCDRO CC(C)[C@@H]1CCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100936 1109208056 /nfs/dbraw/zinc/20/80/56/1109208056.db2.gz DDCZUXIBGFUDCN-ZWKOTPCHSA-N 1 0 332.492 2.795 20 10 EFCDRO C[C@@H]1CC[C@@H](C)N1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100582 1109208351 /nfs/dbraw/zinc/20/83/51/1109208351.db2.gz ASNNUWVVCHEURZ-RKVPGOIHSA-N 1 0 332.492 2.938 20 10 EFCDRO CN(C)c1ccc([C@@H](CNc2ncnc3ccncc32)[NH+](C)C)cc1 ZINC000899262962 1109268093 /nfs/dbraw/zinc/26/80/93/1109268093.db2.gz WXUWHXHYLIVKFL-GOSISDBHSA-N 1 0 336.443 2.806 20 10 EFCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@@H](C)C(C)(C)C)CC2)cc1 ZINC000914574596 1111265555 /nfs/dbraw/zinc/26/55/55/1111265555.db2.gz RIHLXJXTTZUXTH-INIZCTEOSA-N 1 0 347.503 2.710 20 10 EFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@]23CCN(CC(F)(F)F)C3=O)c1 ZINC001272622553 1111759794 /nfs/dbraw/zinc/75/97/94/1111759794.db2.gz NJCWTPNVQDDOEC-MRXNPFEDSA-N 1 0 342.361 2.830 20 10 EFCDRO CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(C)ccc1O)C2 ZINC001272623216 1111760379 /nfs/dbraw/zinc/76/03/79/1111760379.db2.gz XWWQWEIXEDAWAG-JXFKEZNVSA-N 1 0 346.471 2.550 20 10 EFCDRO CC[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2cccc(OC)c2O)C1=O ZINC001272622739 1111760714 /nfs/dbraw/zinc/76/07/14/1111760714.db2.gz QILOGPLXMVGMNN-LIRRHRJNSA-N 1 0 332.444 2.766 20 10 EFCDRO COCCCN1CCC2(CC[NH+](Cc3cc(C)ccc3O)CC2)C1=O ZINC001272622854 1111761296 /nfs/dbraw/zinc/76/12/96/1111761296.db2.gz TUUZANWEYPGHEV-UHFFFAOYSA-N 1 0 346.471 2.552 20 10 EFCDRO COc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)NCC(C)C)CC2)c1O ZINC001272624810 1111764243 /nfs/dbraw/zinc/76/42/43/1111764243.db2.gz DFPHZPGWTAIPIX-INIZCTEOSA-N 1 0 346.471 2.775 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@@]3(CCN(CC=C(C)C)C3=O)C2)c1O ZINC001272625463 1111764948 /nfs/dbraw/zinc/76/49/48/1111764948.db2.gz KNMRMKZXKIIQQK-HXUWFJFHSA-N 1 0 344.455 2.791 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@@]3(CCN(CC=C(C)C)C3=O)C2)c(O)c1 ZINC001272625459 1111764985 /nfs/dbraw/zinc/76/49/85/1111764985.db2.gz KNHOKSUAQRTYKO-HXUWFJFHSA-N 1 0 344.455 2.791 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@]3(CCN(C)C3=O)CC2)c1O ZINC001272625204 1111766036 /nfs/dbraw/zinc/76/60/36/1111766036.db2.gz IOUHFDJBENNIAD-IBGZPJMESA-N 1 0 332.444 2.625 20 10 EFCDRO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(OC)cc1O ZINC001272626393 1111767327 /nfs/dbraw/zinc/76/73/27/1111767327.db2.gz WTKRCQRMACPTCA-KBRIMQKVSA-N 1 0 332.444 2.765 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCN(C4CCCC4)C3=O)C2)c1 ZINC001272636085 1111785356 /nfs/dbraw/zinc/78/53/56/1111785356.db2.gz BBHXRNCDJQKIPY-HXUWFJFHSA-N 1 0 344.455 2.768 20 10 EFCDRO CCCCN1CC[C@]2(CC[N@H+](Cc3cc(OC)ccc3O)C2)C1=O ZINC001272638813 1111797766 /nfs/dbraw/zinc/79/77/66/1111797766.db2.gz VOVWTAOLYNNWCV-IBGZPJMESA-N 1 0 332.444 2.625 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCN(CC=C(C)C)C3=O)C2)c1 ZINC001272638831 1111797977 /nfs/dbraw/zinc/79/79/77/1111797977.db2.gz VURQESGPEWKWDU-HXUWFJFHSA-N 1 0 344.455 2.791 20 10 EFCDRO Cc1c(O)ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(C)C)c1O ZINC001272660840 1111955715 /nfs/dbraw/zinc/95/57/15/1111955715.db2.gz XRNBMPRIFYQOGX-HZPDHXFCSA-N 1 0 332.444 2.628 20 10 EFCDRO COc1cc(O)c(CN(C(C)C)[C@H]2CC[NH2+]C2)c(Br)c1 ZINC001236531433 1112944309 /nfs/dbraw/zinc/94/43/09/1112944309.db2.gz YXBGCFUWGRBMEL-NSHDSACASA-N 1 0 343.265 2.736 20 10 EFCDRO CCn1cc(C(=O)NCC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)cn1 ZINC001484990314 1117927020 /nfs/dbraw/zinc/92/70/20/1117927020.db2.gz VQFQTUOGSJAZQX-HNNXBMFYSA-N 1 0 344.459 2.518 20 10 EFCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1[NH2+]CCC1CC1 ZINC000939830333 1118105861 /nfs/dbraw/zinc/10/58/61/1118105861.db2.gz GZLFYTQDBYQAKR-MLGOLLRUSA-N 1 0 343.431 2.699 20 10 EFCDRO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@]12CCN(Cc1ccc(N(C)C)cc1)C2=O ZINC001272699262 1118248016 /nfs/dbraw/zinc/24/80/16/1118248016.db2.gz FAXKEVXVUGBBRY-MMOPVJDHSA-N 1 0 341.499 2.976 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC3(COC3)CC2)c(Br)c1 ZINC001237064124 1118568654 /nfs/dbraw/zinc/56/86/54/1118568654.db2.gz WWJMNNPFMGTRFO-UHFFFAOYSA-N 1 0 342.233 2.776 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(C2CC2)C2CCCC2)c1 ZINC000182466662 1118613200 /nfs/dbraw/zinc/61/32/00/1118613200.db2.gz VPOVFCCTYMMLSO-CYBMUJFWSA-N 1 0 332.444 2.985 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CC3)C2)cc1 ZINC000995238811 1118828387 /nfs/dbraw/zinc/82/83/87/1118828387.db2.gz YAJSNPNZBLDJER-BBRMVZONSA-N 1 0 343.431 2.747 20 10 EFCDRO CCOC(=O)C[C@](C)([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000185232598 1119920964 /nfs/dbraw/zinc/92/09/64/1119920964.db2.gz ISJUMJSCSSHTGY-FQEVSTJZSA-N 1 0 348.487 2.981 20 10 EFCDRO C[C@H](C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2)CN1CCOCC1 ZINC000185505249 1120216313 /nfs/dbraw/zinc/21/63/13/1120216313.db2.gz FDZQPJXBUAFATG-HZPDHXFCSA-N 1 0 332.488 2.890 20 10 EFCDRO C[C@@H](C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)CN1CCOCC1 ZINC000185505196 1120216433 /nfs/dbraw/zinc/21/64/33/1120216433.db2.gz FDZQPJXBUAFATG-HOTGVXAUSA-N 1 0 332.488 2.890 20 10 EFCDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cccc(O)c3O)cc21 ZINC000185704324 1120481647 /nfs/dbraw/zinc/48/16/47/1120481647.db2.gz SSBSNWPWOYLXJH-UHFFFAOYSA-N 1 0 339.395 2.866 20 10 EFCDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185791172 1120623184 /nfs/dbraw/zinc/62/31/84/1120623184.db2.gz BAGYTFPZWXXPAV-OLZOCXBDSA-N 1 0 325.474 2.745 20 10 EFCDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC000945219995 1120678665 /nfs/dbraw/zinc/67/86/65/1120678665.db2.gz FGZAINWRXXQWST-WFASDCNBSA-N 1 0 331.420 2.699 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC000945227316 1120685156 /nfs/dbraw/zinc/68/51/56/1120685156.db2.gz XYHGHZFZFXMQQO-CZUORRHYSA-N 1 0 345.447 2.945 20 10 EFCDRO CC[C@H]([NH2+]CC1(C)OCCO1)c1cc(Br)ccc1O ZINC000186306881 529590641 /nfs/dbraw/zinc/59/06/41/529590641.db2.gz ORDPVSSTTDOHSS-LBPRGKRZSA-N 1 0 330.222 2.958 20 10 EFCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)CCc2cccs2)cc1 ZINC000173756791 529780695 /nfs/dbraw/zinc/78/06/95/529780695.db2.gz BAFTYDVBEXIKCS-UHFFFAOYSA-N 1 0 331.485 2.605 20 10 EFCDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NCc1ccc(N3CCCC3)cc1)C2 ZINC000173993295 529831802 /nfs/dbraw/zinc/83/18/02/529831802.db2.gz FKMIXOUJEYWPRM-PKOBYXMFSA-N 1 0 342.487 2.665 20 10 EFCDRO CCC[NH2+][C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000296371234 283397093 /nfs/dbraw/zinc/39/70/93/283397093.db2.gz JYIARCAAUZMIOO-VQIMIIECSA-N 1 0 347.503 2.648 20 10 EFCDRO Cc1cc(C(=O)NCC[C@H]2CC[NH2+]C2)c(C)n1-c1ccc(F)cc1 ZINC000262578024 240361177 /nfs/dbraw/zinc/36/11/77/240361177.db2.gz KRUOYYLIPXKSCO-OAHLLOKOSA-N 1 0 329.419 2.963 20 10 EFCDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000262717450 240365170 /nfs/dbraw/zinc/36/51/70/240365170.db2.gz DVIARLBOHNRVPT-KPZWWZAWSA-N 1 0 329.419 2.961 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000158824342 239013585 /nfs/dbraw/zinc/01/35/85/239013585.db2.gz XXOJVFMCYBXVAY-UHFFFAOYSA-N 1 0 346.402 2.871 20 10 EFCDRO COc1cc(O)c(CN2CCC[C@@H]2C[NH+]2CCCCC2)cc1OC ZINC000160233863 239043883 /nfs/dbraw/zinc/04/38/83/239043883.db2.gz SKEKCJQROODZOC-MRXNPFEDSA-N 1 0 334.460 2.860 20 10 EFCDRO NC(=O)c1csc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000160202249 239044319 /nfs/dbraw/zinc/04/43/19/239044319.db2.gz WIFAFYOKDPYHCG-OAHLLOKOSA-N 1 0 346.452 2.734 20 10 EFCDRO NC(=O)c1csc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000160202100 239045761 /nfs/dbraw/zinc/04/57/61/239045761.db2.gz WIFAFYOKDPYHCG-HNNXBMFYSA-N 1 0 346.452 2.734 20 10 EFCDRO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000162392229 239088800 /nfs/dbraw/zinc/08/88/00/239088800.db2.gz HZJBDZOBHWNFFQ-HNNXBMFYSA-N 1 0 341.455 2.842 20 10 EFCDRO CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000163472342 239105413 /nfs/dbraw/zinc/10/54/13/239105413.db2.gz OFGMWIYWMISHOM-AWEZNQCLSA-N 1 0 342.480 2.901 20 10 EFCDRO Cc1cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c(C)n1-c1ccccn1 ZINC000172168144 239164584 /nfs/dbraw/zinc/16/45/84/239164584.db2.gz HGWHLJHHPCDJKJ-INIZCTEOSA-N 1 0 326.444 2.513 20 10 EFCDRO COc1cccc(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1O ZINC000173278544 239185027 /nfs/dbraw/zinc/18/50/27/239185027.db2.gz JIQDECJZKJFZJD-UHFFFAOYSA-N 1 0 335.448 2.509 20 10 EFCDRO Cc1cc(O)c(C[NH2+]CCCN2C(=O)COc3ccccc32)cc1C ZINC000174523688 239234943 /nfs/dbraw/zinc/23/49/43/239234943.db2.gz PYAFIGNRGBMJOP-UHFFFAOYSA-N 1 0 340.423 2.914 20 10 EFCDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180661666 239496723 /nfs/dbraw/zinc/49/67/23/239496723.db2.gz PQVOEDOGUYRMBV-IPKOWEFYSA-N 1 0 332.444 2.595 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)c(O)c1 ZINC000184964867 239589745 /nfs/dbraw/zinc/58/97/45/239589745.db2.gz YCSPFVJPMOVVBJ-CQSZACIVSA-N 1 0 348.468 2.802 20 10 EFCDRO Cc1cc(C(=O)NCC2=CC[NH2+]CC2)c(C)n1-c1ccc(F)cc1 ZINC000186326467 239639914 /nfs/dbraw/zinc/63/99/14/239639914.db2.gz QJMVBHXSBFLXJL-UHFFFAOYSA-N 1 0 327.403 2.883 20 10 EFCDRO CCOC(=O)N1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC000023381743 212372640 /nfs/dbraw/zinc/37/26/40/212372640.db2.gz MYSQAPGENMPUFM-UHFFFAOYSA-N 1 0 344.411 2.828 20 10 EFCDRO COc1cccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1O ZINC000191678809 240001457 /nfs/dbraw/zinc/00/14/57/240001457.db2.gz LZSMNFAEGARULZ-UHFFFAOYSA-N 1 0 332.375 2.978 20 10 EFCDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000193069260 240084055 /nfs/dbraw/zinc/08/40/55/240084055.db2.gz DVWOWIDSHSSNOI-GJZGRUSLSA-N 1 0 332.444 2.824 20 10 EFCDRO Oc1ccccc1C[N@H+](CCO[C@@H]1CCCCO1)C[C@@H]1CCCO1 ZINC000193071252 240084500 /nfs/dbraw/zinc/08/45/00/240084500.db2.gz JKELRZASUOMTFX-PKOBYXMFSA-N 1 0 335.444 2.916 20 10 EFCDRO CCOC1CC(C[NH2+][C@H](C)c2ccc(C)cc2O)(N2CCOCC2)C1 ZINC000193398518 240104079 /nfs/dbraw/zinc/10/40/79/240104079.db2.gz MMRJOSUZECSZBM-ZRZPHAQCSA-N 1 0 348.487 2.621 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000193504491 240110105 /nfs/dbraw/zinc/11/01/05/240110105.db2.gz JLBBSRZFVFHAPW-NWDGAFQWSA-N 1 0 332.366 2.936 20 10 EFCDRO COc1cc(N2CC[NH+](C[C@@H]3CCC=CO3)CC2)cc(OC)c1OC ZINC000194676846 240171236 /nfs/dbraw/zinc/17/12/36/240171236.db2.gz UPAAQDLVTYBVQH-INIZCTEOSA-N 1 0 348.443 2.527 20 10 EFCDRO Cc1cc(C(=O)NCC2([NH3+])CCCCC2)c(C)n1-c1ccccn1 ZINC000237720921 240246415 /nfs/dbraw/zinc/24/64/15/240246415.db2.gz NNESOUIDLLVOEB-UHFFFAOYSA-N 1 0 326.444 2.881 20 10 EFCDRO Nc1ccc(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000237904034 240248480 /nfs/dbraw/zinc/24/84/80/240248480.db2.gz IQCAIJYGIMIOTI-INIZCTEOSA-N 1 0 329.469 2.826 20 10 EFCDRO CN1CCCc2cc(CNC(=O)C3CC[NH+](C4CC4)CC3)ccc21 ZINC000195393681 240223145 /nfs/dbraw/zinc/22/31/45/240223145.db2.gz IAGWXBRGMIPGPP-UHFFFAOYSA-N 1 0 327.472 2.560 20 10 EFCDRO CC[C@@H]([NH2+]C[C@H](COC)OC)c1cc(Br)ccc1O ZINC000229574289 240234002 /nfs/dbraw/zinc/23/40/02/240234002.db2.gz ORNBFWIVRJJXLS-DGCLKSJQSA-N 1 0 332.238 2.857 20 10 EFCDRO CC[C@H]([NH2+][C@H](CCO)COC)c1cc(Br)ccc1O ZINC000229556241 240234126 /nfs/dbraw/zinc/23/41/26/240234126.db2.gz UKBVNQOCVRSGAX-YPMHNXCESA-N 1 0 332.238 2.593 20 10 EFCDRO Cc1cc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)c(C)n1-c1ccccn1 ZINC000236781189 240236168 /nfs/dbraw/zinc/23/61/68/240236168.db2.gz GMFUQBBJXZZHIU-KRWDZBQOSA-N 1 0 328.460 2.935 20 10 EFCDRO C[NH2+]CC(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000237186049 240240448 /nfs/dbraw/zinc/24/04/48/240240448.db2.gz AERMYRXZECOBQB-UHFFFAOYSA-N 1 0 327.428 2.514 20 10 EFCDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](C)[NH3+])cc1 ZINC000237247624 240241409 /nfs/dbraw/zinc/24/14/09/240241409.db2.gz OSCGXJZCOBBYAZ-CQSZACIVSA-N 1 0 327.428 2.642 20 10 EFCDRO COC(=O)COc1c(C)cc(C[NH2+]Cc2ccccc2O)cc1C ZINC000263702429 240387481 /nfs/dbraw/zinc/38/74/81/240387481.db2.gz RQJAMFNEHSCNPU-UHFFFAOYSA-N 1 0 329.396 2.851 20 10 EFCDRO O=S1(=O)CC[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000263720415 240388210 /nfs/dbraw/zinc/38/82/10/240388210.db2.gz WGQCZVYQHWRIEB-CQSZACIVSA-N 1 0 331.437 2.584 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000266672846 240482423 /nfs/dbraw/zinc/48/24/23/240482423.db2.gz AYXSILCGDJTQFB-GOSISDBHSA-N 1 0 332.492 2.767 20 10 EFCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1COC3(CCCCCC3)O1)OCO2 ZINC000271964249 240647391 /nfs/dbraw/zinc/64/73/91/240647391.db2.gz GSCBJPFTRIDQOL-AWEZNQCLSA-N 1 0 335.400 2.676 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccc(N(C)C)cc1 ZINC000278398755 240807483 /nfs/dbraw/zinc/80/74/83/240807483.db2.gz GLBWBUURFIABCI-WBVHZDCISA-N 1 0 327.476 2.806 20 10 EFCDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000279161988 240831790 /nfs/dbraw/zinc/83/17/90/240831790.db2.gz AWGIWYQONJGJMD-QRWLVFNGSA-N 1 0 343.423 2.601 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000280429978 240868812 /nfs/dbraw/zinc/86/88/12/240868812.db2.gz BWGRKJZIKQXZBT-UHOSZYNNSA-N 1 0 332.488 2.973 20 10 EFCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c(O)c1 ZINC000294262515 241038081 /nfs/dbraw/zinc/03/80/81/241038081.db2.gz LMFLFSWPIPCJTE-HIFRSBDPSA-N 1 0 346.393 2.923 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000294027730 241030337 /nfs/dbraw/zinc/03/03/37/241030337.db2.gz HIYWASHZLXUBPC-IEBWSBKVSA-N 1 0 329.488 2.914 20 10 EFCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000295939557 241070424 /nfs/dbraw/zinc/07/04/24/241070424.db2.gz KWGXHSGJWIIGOF-BLLLJJGKSA-N 1 0 346.452 2.638 20 10 EFCDRO COc1cc(C[NH2+][C@H]2CCc3cccc(O)c32)ccc1OCCO ZINC000296113823 241074946 /nfs/dbraw/zinc/07/49/46/241074946.db2.gz UWZHWXBNTIADLW-HNNXBMFYSA-N 1 0 329.396 2.549 20 10 EFCDRO CCNC(=O)COc1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000296161345 241077348 /nfs/dbraw/zinc/07/73/48/241077348.db2.gz XHWDFUFTYLKXDF-QGZVFWFLSA-N 1 0 340.423 2.684 20 10 EFCDRO COC(=O)C1CC[NH+](Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000296244057 241079714 /nfs/dbraw/zinc/07/97/14/241079714.db2.gz FIPYHGNAEXRRES-UHFFFAOYSA-N 1 0 346.471 2.687 20 10 EFCDRO COC(=O)COc1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000296225299 241079844 /nfs/dbraw/zinc/07/98/44/241079844.db2.gz AIGJSJDQTOKSCU-MRXNPFEDSA-N 1 0 327.380 2.721 20 10 EFCDRO O=S(=O)(CC[NH2+][C@@H]1CCc2cccc(O)c21)CCc1ccccc1 ZINC000296259043 241081695 /nfs/dbraw/zinc/08/16/95/241081695.db2.gz BQCYLNNMBBSUNV-QGZVFWFLSA-N 1 0 345.464 2.627 20 10 EFCDRO COCCOC1(C[NH2+][C@H](C)c2cc(Cl)ccc2O)CCOCC1 ZINC000296514182 241088854 /nfs/dbraw/zinc/08/88/54/241088854.db2.gz PPETZIGXGJDVNO-CYBMUJFWSA-N 1 0 343.851 2.908 20 10 EFCDRO C[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1cc(F)ccc1O ZINC000296635012 241092527 /nfs/dbraw/zinc/09/25/27/241092527.db2.gz BQKRKWNNIXNPTO-DCBWTQNWSA-N 1 0 329.437 2.785 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)C(=O)N(C)C ZINC000296805542 241098776 /nfs/dbraw/zinc/09/87/76/241098776.db2.gz MUZMOEMMSJDANW-AWEZNQCLSA-N 1 0 331.485 2.951 20 10 EFCDRO O=C1c2ccccc2C(=O)N1CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297269336 241118152 /nfs/dbraw/zinc/11/81/52/241118152.db2.gz KOHDJOJYUYCONC-MRXNPFEDSA-N 1 0 336.391 2.655 20 10 EFCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c(O)c1 ZINC000294262502 241038963 /nfs/dbraw/zinc/03/89/63/241038963.db2.gz LMFLFSWPIPCJTE-DZGCQCFKSA-N 1 0 346.393 2.923 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@]2(CO)CCOC2)cc1 ZINC000295459078 241052509 /nfs/dbraw/zinc/05/25/09/241052509.db2.gz QTMLUAABXNXZNH-SFHVURJKSA-N 1 0 332.469 2.626 20 10 EFCDRO Cc1cc(NC(=O)C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)no1 ZINC000298689175 241156683 /nfs/dbraw/zinc/15/66/83/241156683.db2.gz CSHKYVCDUOBRNF-UHFFFAOYSA-N 1 0 330.432 2.898 20 10 EFCDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000298733900 241160104 /nfs/dbraw/zinc/16/01/04/241160104.db2.gz OWCPCOCCFMJFJY-INIZCTEOSA-N 1 0 326.444 2.703 20 10 EFCDRO Cc1cc(C(=O)NC[C@H](C)C[NH+]2CCCC2)c(C)n1-c1ccccn1 ZINC000299285100 241169396 /nfs/dbraw/zinc/16/93/96/241169396.db2.gz NUNMFPCBJMEWCI-HNNXBMFYSA-N 1 0 340.471 2.951 20 10 EFCDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000299403929 241174518 /nfs/dbraw/zinc/17/45/18/241174518.db2.gz MUYPNZHXRXCSPW-KRWDZBQOSA-N 1 0 332.492 2.672 20 10 EFCDRO COc1cccc([C@@H](CNC(=O)NCc2ccccc2O)[NH+](C)C)c1 ZINC000299561600 241180921 /nfs/dbraw/zinc/18/09/21/241180921.db2.gz ZTCCMYROLHLTIV-QGZVFWFLSA-N 1 0 343.427 2.503 20 10 EFCDRO CC(C)c1nc(NCc2ccc(N(C)C)c(F)c2)nc(N(C)C)n1 ZINC000302007179 241193516 /nfs/dbraw/zinc/19/35/16/241193516.db2.gz UNMNGHCEHMJWFY-UHFFFAOYSA-N 1 0 332.427 2.878 20 10 EFCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)CC2 ZINC000297473573 241123127 /nfs/dbraw/zinc/12/31/27/241123127.db2.gz YSOHPKMGAQHQRM-PBHICJAKSA-N 1 0 340.423 2.980 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc(Cl)ccc1O ZINC000363853280 242283260 /nfs/dbraw/zinc/28/32/60/242283260.db2.gz KHDKHBVTCATUQX-XHDPSFHLSA-N 1 0 335.835 2.963 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc(Cl)ccc1O ZINC000363853278 242284306 /nfs/dbraw/zinc/28/43/06/242284306.db2.gz KHDKHBVTCATUQX-NHYWBVRUSA-N 1 0 335.835 2.963 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363913167 242285506 /nfs/dbraw/zinc/28/55/06/242285506.db2.gz GRGORBWZKHWUJZ-PKOBYXMFSA-N 1 0 344.503 2.911 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363913164 242286218 /nfs/dbraw/zinc/28/62/18/242286218.db2.gz GRGORBWZKHWUJZ-HKUYNNGSSA-N 1 0 344.503 2.911 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1F ZINC000367473153 242383395 /nfs/dbraw/zinc/38/33/95/242383395.db2.gz BOJAQCZFIIGAFW-XYPWUTKMSA-N 1 0 348.466 2.658 20 10 EFCDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000367681710 242388079 /nfs/dbraw/zinc/38/80/79/242388079.db2.gz DWNWUNXHVGJMDM-FXAWDEMLSA-N 1 0 329.488 2.582 20 10 EFCDRO C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000187726617 296115026 /nfs/dbraw/zinc/11/50/26/296115026.db2.gz JFCASLRJTNCXJC-CHWSQXEVSA-N 1 0 340.414 2.822 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192832424 296131349 /nfs/dbraw/zinc/13/13/49/296131349.db2.gz GSBKAHDGTPWICJ-NWDGAFQWSA-N 1 0 346.302 2.986 20 10 EFCDRO O=C1[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCCN1CC(F)(F)F ZINC000296664379 285004586 /nfs/dbraw/zinc/00/45/86/285004586.db2.gz FLEQSQOGVOKWPX-VXGBXAGGSA-N 1 0 328.334 2.522 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H]([NH3+])C3)c2C)cc1 ZINC000158310088 533210288 /nfs/dbraw/zinc/21/02/88/533210288.db2.gz KTQPIWSCTQRYFU-HNNXBMFYSA-N 1 0 327.428 2.666 20 10 EFCDRO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccccc1O ZINC000183429412 533456307 /nfs/dbraw/zinc/45/63/07/533456307.db2.gz JFMBDIJDGRSTHU-CQSZACIVSA-N 1 0 328.412 2.710 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000273419023 292013922 /nfs/dbraw/zinc/01/39/22/292013922.db2.gz RORYGYXFJXBZKU-AWEZNQCLSA-N 1 0 334.460 2.950 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000273419024 292014070 /nfs/dbraw/zinc/01/40/70/292014070.db2.gz RORYGYXFJXBZKU-CQSZACIVSA-N 1 0 334.460 2.950 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CCOCC3(CCOCC3)C2)c1O ZINC000184744908 286223175 /nfs/dbraw/zinc/22/31/75/286223175.db2.gz DVWJHRSFVOARBI-UHFFFAOYSA-N 1 0 341.835 2.683 20 10 EFCDRO COc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000085795064 544513319 /nfs/dbraw/zinc/51/33/19/544513319.db2.gz ALTRSJTWHQRYOP-QGZVFWFLSA-N 1 0 328.412 2.977 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000373257056 274755105 /nfs/dbraw/zinc/75/51/05/274755105.db2.gz RZYAMDIEUXBICS-GJZGRUSLSA-N 1 0 339.439 2.729 20 10 EFCDRO CCCOc1ccc(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)c(O)c1 ZINC000280595622 276019585 /nfs/dbraw/zinc/01/95/85/276019585.db2.gz XTDFIXYKSQQAOU-OAHLLOKOSA-N 1 0 335.444 2.951 20 10 EFCDRO COc1ccc2ccc(O)c(C[NH+]3CCC4(CC3)OCCO4)c2c1 ZINC000026610444 278000568 /nfs/dbraw/zinc/00/05/68/278000568.db2.gz FIVVUHMEGBYXIV-UHFFFAOYSA-N 1 0 329.396 2.893 20 10 EFCDRO C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(N2CCCCCC2)cc1 ZINC000268908163 278265434 /nfs/dbraw/zinc/26/54/34/278265434.db2.gz MGMUQTUYROGGTM-RXVVDRJESA-N 1 0 344.547 2.963 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298770899 279236600 /nfs/dbraw/zinc/23/66/00/279236600.db2.gz XHXHHONGRMLXLH-OALUTQOASA-N 1 0 344.503 2.911 20 10 EFCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1sccc1C[NH+](C)C ZINC000274903467 279379169 /nfs/dbraw/zinc/37/91/69/279379169.db2.gz GXAIJMNWPGBZLQ-LLVKDONJSA-N 1 0 334.441 2.582 20 10 EFCDRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000184979151 473290522 /nfs/dbraw/zinc/29/05/22/473290522.db2.gz AXJLQMYSQKTJNI-NSHDSACASA-N 1 0 346.880 2.510 20 10 EFCDRO C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185028550 473305441 /nfs/dbraw/zinc/30/54/41/473305441.db2.gz FDNFLOTZUKQSPM-RYUDHWBXSA-N 1 0 343.265 2.526 20 10 EFCDRO C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185109631 473330528 /nfs/dbraw/zinc/33/05/28/473330528.db2.gz JBVLNMODFJSOFG-MNOVXSKESA-N 1 0 341.249 2.816 20 10 EFCDRO CC[C@@H]([NH2+]CC(C)(C)C(N)=O)c1cc(Br)ccc1O ZINC000185214096 473363631 /nfs/dbraw/zinc/36/36/31/473363631.db2.gz KAMXGJSSFRKESA-LLVKDONJSA-N 1 0 329.238 2.707 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c1 ZINC000185263255 473380474 /nfs/dbraw/zinc/38/04/74/473380474.db2.gz SDPXGZTXBAUXBG-CYBMUJFWSA-N 1 0 349.452 2.796 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)c(O)c1 ZINC000185303851 473389901 /nfs/dbraw/zinc/38/99/01/473389901.db2.gz LQOASKOOYDNTIT-AWEZNQCLSA-N 1 0 328.412 2.877 20 10 EFCDRO COC[C@@H](CCO)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000275377993 474163914 /nfs/dbraw/zinc/16/39/14/474163914.db2.gz WYYVSDKSJJPIOC-CMPLNLGQSA-N 1 0 332.238 2.511 20 10 EFCDRO CC[C@@H]([NH2+]CCNC(=O)C(C)C)c1cc(Br)ccc1O ZINC000020125287 471986852 /nfs/dbraw/zinc/98/68/52/471986852.db2.gz BGTFVUVRLJWQQC-CYBMUJFWSA-N 1 0 343.265 2.968 20 10 EFCDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000068964573 472272012 /nfs/dbraw/zinc/27/20/12/472272012.db2.gz LOWNBKCKAUPAMK-ZIAGYGMSSA-N 1 0 348.443 2.638 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)c1O ZINC000128186773 472414503 /nfs/dbraw/zinc/41/45/03/472414503.db2.gz SGJBJMYFTHRRKC-INIZCTEOSA-N 1 0 344.411 2.665 20 10 EFCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H](O)C1CCOCC1 ZINC000076906399 472422343 /nfs/dbraw/zinc/42/23/43/472422343.db2.gz HWGLDFDUGPBWFZ-FQEVSTJZSA-N 1 0 327.424 2.936 20 10 EFCDRO COc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000089514407 472453809 /nfs/dbraw/zinc/45/38/09/472453809.db2.gz GCNRDYPEOIHICI-OAHLLOKOSA-N 1 0 341.455 2.842 20 10 EFCDRO C[NH+]1CCC(CCNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000154678316 472460556 /nfs/dbraw/zinc/46/05/56/472460556.db2.gz CXGKBYCSZZTYQF-UHFFFAOYSA-N 1 0 342.487 2.594 20 10 EFCDRO CC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000089619068 472470520 /nfs/dbraw/zinc/47/05/20/472470520.db2.gz CAEADYMUJYJSGV-CABCVRRESA-N 1 0 343.393 2.957 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000089619093 472471075 /nfs/dbraw/zinc/47/10/75/472471075.db2.gz NDBPRYAHRJROPM-SMDDNHRTSA-N 1 0 329.366 2.566 20 10 EFCDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000077220983 472478878 /nfs/dbraw/zinc/47/88/78/472478878.db2.gz BKFJOEDNNTWNBE-UHFFFAOYSA-N 1 0 327.384 2.721 20 10 EFCDRO C[C@@H]1SCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000118533865 472498421 /nfs/dbraw/zinc/49/84/21/472498421.db2.gz RUVCCAXCIAVGAT-GJZGRUSLSA-N 1 0 335.517 2.537 20 10 EFCDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(C)Cc1ccccc1O ZINC000098034505 472514864 /nfs/dbraw/zinc/51/48/64/472514864.db2.gz OXEYZJYKNWNOGZ-BZUAXINKSA-N 1 0 333.476 2.900 20 10 EFCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H]1CCCCNC1=O ZINC000119216558 472537341 /nfs/dbraw/zinc/53/73/41/472537341.db2.gz RIDDXXUPUMLQAZ-ZDUSSCGKSA-N 1 0 341.249 2.645 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@](C)(O)c1ccccc1 ZINC000119407375 472553974 /nfs/dbraw/zinc/55/39/74/472553974.db2.gz QNSFKCZCSCLGSR-NRFANRHFSA-N 1 0 340.467 2.863 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F ZINC000071819558 472572720 /nfs/dbraw/zinc/57/27/20/472572720.db2.gz UHYNEEFPYDLJMC-IBGZPJMESA-N 1 0 348.393 2.625 20 10 EFCDRO CC(C)[NH2+]C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000155705514 472599697 /nfs/dbraw/zinc/59/96/97/472599697.db2.gz DETXDXGJEHUMFM-UHFFFAOYSA-N 1 0 342.487 2.735 20 10 EFCDRO Cc1nc(CN2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)oc1C ZINC000103134117 472612801 /nfs/dbraw/zinc/61/28/01/472612801.db2.gz OREUEORINGLPPN-UHFFFAOYSA-N 1 0 329.444 2.932 20 10 EFCDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000120027710 472618747 /nfs/dbraw/zinc/61/87/47/472618747.db2.gz AQOQZZWVUNHDDE-LBPRGKRZSA-N 1 0 332.375 2.507 20 10 EFCDRO COc1cccc(CNC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1O ZINC000130693072 472623436 /nfs/dbraw/zinc/62/34/36/472623436.db2.gz BHKNAGLQZKXLJT-OAHLLOKOSA-N 1 0 349.475 2.568 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000120187440 472646351 /nfs/dbraw/zinc/64/63/51/472646351.db2.gz KEUNAQMBDSOWIS-CQSZACIVSA-N 1 0 349.452 2.661 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000120187602 472646558 /nfs/dbraw/zinc/64/65/58/472646558.db2.gz KEUNAQMBDSOWIS-AWEZNQCLSA-N 1 0 349.452 2.661 20 10 EFCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)N(C)C1CC1 ZINC000131145419 472652623 /nfs/dbraw/zinc/65/26/23/472652623.db2.gz MLYVKAKRHMZYES-GJZGRUSLSA-N 1 0 335.467 2.796 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000120252151 472657599 /nfs/dbraw/zinc/65/75/99/472657599.db2.gz IUJYIBRHCXNUPB-BFYDXBDKSA-N 1 0 336.451 2.864 20 10 EFCDRO C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090885051 472663072 /nfs/dbraw/zinc/66/30/72/472663072.db2.gz AWMBCHWRWIHTLU-KSSFIOAISA-N 1 0 346.450 2.934 20 10 EFCDRO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090885054 472663198 /nfs/dbraw/zinc/66/31/98/472663198.db2.gz AWMBCHWRWIHTLU-RDTXWAMCSA-N 1 0 346.450 2.934 20 10 EFCDRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000104289233 472664648 /nfs/dbraw/zinc/66/46/48/472664648.db2.gz QEILSOCOYDKPPN-IBGZPJMESA-N 1 0 345.487 2.608 20 10 EFCDRO Cc1nsc(N2CCC[N@@H+](Cc3ccc(N(C)C)c(F)c3)CC2)n1 ZINC000131805547 472693869 /nfs/dbraw/zinc/69/38/69/472693869.db2.gz CRKGYHOWALWZSG-UHFFFAOYSA-N 1 0 349.479 2.764 20 10 EFCDRO C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000132121505 472716000 /nfs/dbraw/zinc/71/60/00/472716000.db2.gz QBCIKPRSXNXQLP-HNNXBMFYSA-N 1 0 337.483 2.901 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCN3CCC[C@@H](C)C3)CC2)cc1 ZINC000156682214 472739498 /nfs/dbraw/zinc/73/94/98/472739498.db2.gz OKIJYSBJSOFTEG-QGZVFWFLSA-N 1 0 331.504 2.986 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000072953553 472746842 /nfs/dbraw/zinc/74/68/42/472746842.db2.gz KXCRKSFNXCAEAD-OAQYLSRUSA-N 1 0 339.483 2.916 20 10 EFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120844713 472756170 /nfs/dbraw/zinc/75/61/70/472756170.db2.gz SGLXRGCLDJDWKG-MSOLQXFVSA-N 1 0 332.536 2.677 20 10 EFCDRO c1cc([C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)n[nH]1 ZINC000121216063 472817456 /nfs/dbraw/zinc/81/74/56/472817456.db2.gz NJLCLVWWXYOILD-KRWDZBQOSA-N 1 0 326.444 2.626 20 10 EFCDRO COc1cccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1O ZINC000092048017 472847224 /nfs/dbraw/zinc/84/72/24/472847224.db2.gz XIAOUWIJKIMIFX-UHFFFAOYSA-N 1 0 343.383 2.631 20 10 EFCDRO COc1cccc(CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1O ZINC000073677282 472851881 /nfs/dbraw/zinc/85/18/81/472851881.db2.gz OXQYBUPOYYJVSJ-OAHLLOKOSA-N 1 0 349.475 2.712 20 10 EFCDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 ZINC000133929550 472855693 /nfs/dbraw/zinc/85/56/93/472855693.db2.gz HMYWDHULPCGNRM-MRXNPFEDSA-N 1 0 341.455 2.927 20 10 EFCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000092585738 472940374 /nfs/dbraw/zinc/94/03/74/472940374.db2.gz VCQASROAIDEVGO-ZDUSSCGKSA-N 1 0 334.441 2.541 20 10 EFCDRO c1cn(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)cn1 ZINC000092648591 472951136 /nfs/dbraw/zinc/95/11/36/472951136.db2.gz VDTSCKCTXABACP-UHFFFAOYSA-N 1 0 326.444 2.557 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1O ZINC000092661779 472955587 /nfs/dbraw/zinc/95/55/87/472955587.db2.gz JSRGEYPCZYEHFA-KRWDZBQOSA-N 1 0 335.444 2.951 20 10 EFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC000074191366 472960145 /nfs/dbraw/zinc/96/01/45/472960145.db2.gz YFWQQWHPXVCFJM-UHFFFAOYSA-N 1 0 339.439 2.853 20 10 EFCDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000092731237 472973552 /nfs/dbraw/zinc/97/35/52/472973552.db2.gz HPMPKMFPJGXRAQ-HOCLYGCPSA-N 1 0 334.460 2.918 20 10 EFCDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCCC)cc2O)C1 ZINC000092734261 472975094 /nfs/dbraw/zinc/97/50/94/472975094.db2.gz NRDRCOCPLPCBSX-INIZCTEOSA-N 1 0 334.460 2.919 20 10 EFCDRO NC(=O)N1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000092754087 472979521 /nfs/dbraw/zinc/97/95/21/472979521.db2.gz LQIZDXDJQSBIFI-UHFFFAOYSA-N 1 0 325.412 2.646 20 10 EFCDRO CCOc1ccc(O)c(C[NH+]2CCN(Cc3cccc(O)c3)CC2)c1 ZINC000092789638 472986009 /nfs/dbraw/zinc/98/60/09/472986009.db2.gz INTHXQHYKVELIA-UHFFFAOYSA-N 1 0 342.439 2.814 20 10 EFCDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000080243711 473002037 /nfs/dbraw/zinc/00/20/37/473002037.db2.gz XFHHCIXCLLBSDJ-HXUWFJFHSA-N 1 0 340.467 2.871 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066179663 473055764 /nfs/dbraw/zinc/05/57/64/473055764.db2.gz WFWYWGPODYQXLD-IBGZPJMESA-N 1 0 342.487 2.667 20 10 EFCDRO OCCC[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCc2ccccc21 ZINC000093389311 473100615 /nfs/dbraw/zinc/10/06/15/473100615.db2.gz WDHLMRGMAKLSKW-QGZVFWFLSA-N 1 0 341.407 2.993 20 10 EFCDRO OCC[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCc2ccccc21 ZINC000093388079 473100751 /nfs/dbraw/zinc/10/07/51/473100751.db2.gz WTHICHLGBWQVPN-MRXNPFEDSA-N 1 0 327.380 2.603 20 10 EFCDRO Cc1cc(O)c(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)cc1C ZINC000093454623 473109823 /nfs/dbraw/zinc/10/98/23/473109823.db2.gz BXQRALMVUMJZSM-SFHVURJKSA-N 1 0 329.444 2.688 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCN(c3cccs3)CC2)cc1OC ZINC000160394017 473116922 /nfs/dbraw/zinc/11/69/22/473116922.db2.gz MOPXWMXXQWRGTR-UHFFFAOYSA-N 1 0 334.441 2.793 20 10 EFCDRO CCOCc1ccc(CNC(=O)C[N@H+](C)Cc2ccccc2O)cc1 ZINC000109769735 473119394 /nfs/dbraw/zinc/11/93/94/473119394.db2.gz LVHWLLUGQBEVLS-UHFFFAOYSA-N 1 0 342.439 2.677 20 10 EFCDRO NC(=O)c1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000109761911 473119519 /nfs/dbraw/zinc/11/95/19/473119519.db2.gz GKBLMTGUCYYVGL-GOSISDBHSA-N 1 0 340.423 2.672 20 10 EFCDRO CCCOc1ccc(C[NH+]2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)c(O)c1 ZINC000093614094 473125352 /nfs/dbraw/zinc/12/53/52/473125352.db2.gz GWFMTDQIGWKVBV-OALUTQOASA-N 1 0 349.471 2.933 20 10 EFCDRO CCC[N@H+](Cc1ccccc1O)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000109836012 473127226 /nfs/dbraw/zinc/12/72/26/473127226.db2.gz HOIYQEGHYMLMGF-ZDUSSCGKSA-N 1 0 330.350 2.767 20 10 EFCDRO CCOc1cccc(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000093646787 473130991 /nfs/dbraw/zinc/13/09/91/473130991.db2.gz NGMAHNAUUGUOBP-HOCLYGCPSA-N 1 0 341.473 2.579 20 10 EFCDRO C[C@@H]1CCCCN1C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000123482191 473146221 /nfs/dbraw/zinc/14/62/21/473146221.db2.gz KXDGKFVKKSRSBE-AEFFLSMTSA-N 1 0 346.471 2.774 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000093818036 473150001 /nfs/dbraw/zinc/15/00/01/473150001.db2.gz SENVANJCLHQZMN-IBGZPJMESA-N 1 0 331.504 2.687 20 10 EFCDRO Oc1ccccc1C[N@H+](C[C@@H](O)Cc1ccccc1)C[C@@H]1CCCO1 ZINC000111232937 473197786 /nfs/dbraw/zinc/19/77/86/473197786.db2.gz NIHWEDKGRSLJJJ-PMACEKPBSA-N 1 0 341.451 2.977 20 10 EFCDRO Cc1cc2ncn(C[C@@H](O)C[N@@H+](C)Cc3ccccc3O)c2cc1C ZINC000111235768 473197911 /nfs/dbraw/zinc/19/79/11/473197911.db2.gz ZVRXYZAMKCMRTN-KRWDZBQOSA-N 1 0 339.439 2.852 20 10 EFCDRO COC(=O)c1coc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000111232940 473197934 /nfs/dbraw/zinc/19/79/34/473197934.db2.gz GPPXSANBSRRJMU-MRXNPFEDSA-N 1 0 345.395 2.953 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3cccnc3OC)CC2)cc1 ZINC000151150329 473416899 /nfs/dbraw/zinc/41/68/99/473416899.db2.gz SESBLSDCVLLJCR-UHFFFAOYSA-N 1 0 327.428 2.857 20 10 EFCDRO COCCCN(C)CC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185554124 473454743 /nfs/dbraw/zinc/45/47/43/473454743.db2.gz ZIGRFVPPOUDPDN-LBPRGKRZSA-N 1 0 345.281 2.774 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cc(F)ccc1O ZINC000185650271 473478595 /nfs/dbraw/zinc/47/85/95/473478595.db2.gz LUMNZYMQTQKNAE-GFCCVEGCSA-N 1 0 337.416 2.927 20 10 EFCDRO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000126055726 473482929 /nfs/dbraw/zinc/48/29/29/473482929.db2.gz JLHKCCAKKHAUDS-KSSFIOAISA-N 1 0 340.471 2.901 20 10 EFCDRO C[C@@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185673929 473485610 /nfs/dbraw/zinc/48/56/10/473485610.db2.gz WJLRCCRMGQZNGJ-GVXVVHGQSA-N 1 0 344.249 2.999 20 10 EFCDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000185787238 473514299 /nfs/dbraw/zinc/51/42/99/473514299.db2.gz SGOCQDRZABMUJL-ZYHUDNBSSA-N 1 0 341.249 2.816 20 10 EFCDRO CCOC(=O)N1CCC([NH2+]Cc2ccc3c(c2)CCCN3C)CC1 ZINC000126643948 473533192 /nfs/dbraw/zinc/53/31/92/473533192.db2.gz LOXCKYSZSALFAM-UHFFFAOYSA-N 1 0 331.460 2.780 20 10 EFCDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000126719866 473539912 /nfs/dbraw/zinc/53/99/12/473539912.db2.gz CQYSEDWYVAMVQY-INIZCTEOSA-N 1 0 330.476 2.592 20 10 EFCDRO COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185953465 473556940 /nfs/dbraw/zinc/55/69/40/473556940.db2.gz UNMOAQVSCJWPNF-LBPRGKRZSA-N 1 0 332.375 2.621 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cc(Cl)ccc1O ZINC000186021435 473572659 /nfs/dbraw/zinc/57/26/59/473572659.db2.gz CCAKYJLDQUQCTK-KCJUWKMLSA-N 1 0 336.741 2.859 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(Cl)ccc1O ZINC000186021388 473573138 /nfs/dbraw/zinc/57/31/38/473573138.db2.gz CCAKYJLDQUQCTK-GZMMTYOYSA-N 1 0 336.741 2.859 20 10 EFCDRO C[C@H]1CCN(C(=O)Cc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000178840852 473575840 /nfs/dbraw/zinc/57/58/40/473575840.db2.gz DKKLWWNZWUDOBH-KRWDZBQOSA-N 1 0 337.467 2.934 20 10 EFCDRO CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)C1=O ZINC000186047612 473578178 /nfs/dbraw/zinc/57/81/78/473578178.db2.gz VIOOWEILJQOGKE-GXFFZTMASA-N 1 0 341.249 2.815 20 10 EFCDRO C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)cc1O ZINC000186089223 473587801 /nfs/dbraw/zinc/58/78/01/473587801.db2.gz FDMSXKMRKIEOQU-ONGXEEELSA-N 1 0 339.233 2.569 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)cc1O ZINC000186089187 473588321 /nfs/dbraw/zinc/58/83/21/473588321.db2.gz FDMSXKMRKIEOQU-GXSJLCMTSA-N 1 0 339.233 2.569 20 10 EFCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]CC2=CCCOC2)C1 ZINC000127292536 473596210 /nfs/dbraw/zinc/59/62/10/473596210.db2.gz KTPAIDJQWVUDML-QGZVFWFLSA-N 1 0 336.863 2.946 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000186144151 473600330 /nfs/dbraw/zinc/60/03/30/473600330.db2.gz VVHBUHCVHKACNX-WCQYABFASA-N 1 0 330.350 2.905 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c(O)c1 ZINC000186144421 473600452 /nfs/dbraw/zinc/60/04/52/473600452.db2.gz JEMFGOBVJARRPF-DGCLKSJQSA-N 1 0 330.350 2.905 20 10 EFCDRO CC[C@@H]([NH2+]C[C@@](C)(O)CCOC)c1cc(Br)ccc1O ZINC000186195948 473612661 /nfs/dbraw/zinc/61/26/61/473612661.db2.gz QCKYKASSGFVVFY-HIFRSBDPSA-N 1 0 346.265 2.983 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)C[C@H](O)COCc2ccccc2)cc1 ZINC000127475713 473617324 /nfs/dbraw/zinc/61/73/24/473617324.db2.gz XNAIPKOVQJNODW-FQEVSTJZSA-N 1 0 328.456 2.762 20 10 EFCDRO C[C@@H]1C[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C[N@@H+]1C1CC1 ZINC000127564817 473626178 /nfs/dbraw/zinc/62/61/78/473626178.db2.gz OMQYQJCCZBMWKW-UKRRQHHQSA-N 1 0 343.471 2.695 20 10 EFCDRO C[C@H]1C[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C[N@@H+]1C1CC1 ZINC000127565052 473626762 /nfs/dbraw/zinc/62/67/62/473626762.db2.gz OMQYQJCCZBMWKW-DZGCQCFKSA-N 1 0 343.471 2.695 20 10 EFCDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000154122206 473667986 /nfs/dbraw/zinc/66/79/86/473667986.db2.gz VDXHKSCVSOSWAN-HNNXBMFYSA-N 1 0 332.469 2.877 20 10 EFCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000186433489 473674302 /nfs/dbraw/zinc/67/43/02/473674302.db2.gz NIMKGFIXYPTROX-ZBFHGGJFSA-N 1 0 346.471 2.800 20 10 EFCDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(O)c1O ZINC000179384200 473682829 /nfs/dbraw/zinc/68/28/29/473682829.db2.gz OTKZUDSXEKZPJJ-UHFFFAOYSA-N 1 0 340.423 2.801 20 10 EFCDRO Oc1ccccc1C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000179555677 473694104 /nfs/dbraw/zinc/69/41/04/473694104.db2.gz CKYNVIVENPIDND-UHFFFAOYSA-N 1 0 326.425 2.719 20 10 EFCDRO O=C(c1cccc(F)c1)N1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000179556520 473694846 /nfs/dbraw/zinc/69/48/46/473694846.db2.gz UQAXBFKUTABTLP-UHFFFAOYSA-N 1 0 328.387 2.879 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000179704426 473709537 /nfs/dbraw/zinc/70/95/37/473709537.db2.gz HVKBSCUUTNOHNX-CQSZACIVSA-N 1 0 336.432 2.890 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1O ZINC000179780010 473725010 /nfs/dbraw/zinc/72/50/10/473725010.db2.gz AESKMCKFUNXEAK-OAHLLOKOSA-N 1 0 338.411 2.823 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3coc(C)c3)cc2F)CC1 ZINC000186703773 473733897 /nfs/dbraw/zinc/73/38/97/473733897.db2.gz DEAWKWSSEXPCKD-UHFFFAOYSA-N 1 0 345.418 2.799 20 10 EFCDRO CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287695893 473736930 /nfs/dbraw/zinc/73/69/30/473736930.db2.gz NJWOSYQBBGSXTQ-CJNGLKHVSA-N 1 0 325.884 2.722 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000269235488 473742871 /nfs/dbraw/zinc/74/28/71/473742871.db2.gz FQVDHMLDLLIYMQ-UHFFFAOYSA-N 1 0 337.423 2.968 20 10 EFCDRO CCCOc1ccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c(O)c1 ZINC000179915392 473754217 /nfs/dbraw/zinc/75/42/17/473754217.db2.gz RZQSLXUOHWJDJB-UHFFFAOYSA-N 1 0 332.444 2.672 20 10 EFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCNC(=O)C(C)C)c1O ZINC000186927011 473782560 /nfs/dbraw/zinc/78/25/60/473782560.db2.gz SFLHYKQMCFYLMN-LLVKDONJSA-N 1 0 343.265 2.886 20 10 EFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC(=O)NC(C)C)c1O ZINC000186946131 473786797 /nfs/dbraw/zinc/78/67/97/473786797.db2.gz ARRNXKBZUGXLSN-SNVBAGLBSA-N 1 0 329.238 2.638 20 10 EFCDRO COc1ccc(C[N@H+](CCO)Cc2cc(F)ccc2O)c(OC)c1 ZINC000180147844 473810116 /nfs/dbraw/zinc/81/01/16/473810116.db2.gz SIHKCWODJNBSHL-UHFFFAOYSA-N 1 0 335.375 2.543 20 10 EFCDRO C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CC[N@@H+]1Cc1ccccc1 ZINC000187171189 473830216 /nfs/dbraw/zinc/83/02/16/473830216.db2.gz JYCLSZKVYNFZMK-HOCLYGCPSA-N 1 0 340.423 2.881 20 10 EFCDRO COC[C@H](O)CC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187412695 473869530 /nfs/dbraw/zinc/86/95/30/473869530.db2.gz GHHFHCZUIRRHCF-ZYHUDNBSSA-N 1 0 332.238 2.511 20 10 EFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C[S@](C)=O)c1O ZINC000187540796 473883696 /nfs/dbraw/zinc/88/36/96/473883696.db2.gz LKISPBIXTZTTJJ-VOQFUICPSA-N 1 0 334.279 2.881 20 10 EFCDRO CCN(C)C(=O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000187675744 473903465 /nfs/dbraw/zinc/90/34/65/473903465.db2.gz DIPNFIJLNFPFTB-UHFFFAOYSA-N 1 0 328.412 2.539 20 10 EFCDRO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)c(F)c1[O-] ZINC000187714066 473907999 /nfs/dbraw/zinc/90/79/99/473907999.db2.gz LZJWTYQLWYDPSP-QWHCGFSZSA-N 1 0 328.403 2.558 20 10 EFCDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000264365105 473964020 /nfs/dbraw/zinc/96/40/20/473964020.db2.gz VVQRHSRUPILFNX-HNNXBMFYSA-N 1 0 329.419 2.915 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000181028778 473999287 /nfs/dbraw/zinc/99/92/87/473999287.db2.gz XVEDCBLYYQIVBH-DYLHUKMJSA-N 1 0 330.428 2.588 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000264495096 474013425 /nfs/dbraw/zinc/01/34/25/474013425.db2.gz FNUTVCFIWJDGLS-IRXDYDNUSA-N 1 0 331.460 2.941 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c(O)c1 ZINC000288715575 474029497 /nfs/dbraw/zinc/02/94/97/474029497.db2.gz ZOBVHSYMGZPSTL-LPHOPBHVSA-N 1 0 329.396 2.765 20 10 EFCDRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000275125842 474078802 /nfs/dbraw/zinc/07/88/02/474078802.db2.gz IXTHVPXOOZSYQA-JTQLQIEISA-N 1 0 336.741 2.546 20 10 EFCDRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000275132696 474079933 /nfs/dbraw/zinc/07/99/33/474079933.db2.gz KYBPRHMAIIIIFB-VIFPVBQESA-N 1 0 336.741 2.546 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)c1 ZINC000275143108 474083756 /nfs/dbraw/zinc/08/37/56/474083756.db2.gz PEPPLVUDRHVWEA-UHFFFAOYSA-N 1 0 349.818 2.888 20 10 EFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](CC(N)=O)C2CCCCC2)c1O ZINC000182049734 474089397 /nfs/dbraw/zinc/08/93/97/474089397.db2.gz WPUKCKYXIZWHAR-INIZCTEOSA-N 1 0 336.407 2.648 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)cc1OC ZINC000182087930 474097049 /nfs/dbraw/zinc/09/70/49/474097049.db2.gz CGTPOIAAHPUPDE-CQSZACIVSA-N 1 0 345.443 2.598 20 10 EFCDRO COc1ccc(O)c(C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)c1 ZINC000182119668 474103316 /nfs/dbraw/zinc/10/33/16/474103316.db2.gz VXBPKCFGXCQTCE-INIZCTEOSA-N 1 0 341.329 2.941 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000275224336 474109987 /nfs/dbraw/zinc/10/99/87/474109987.db2.gz CKBGBMUOHXTVLE-LPHOPBHVSA-N 1 0 345.443 2.761 20 10 EFCDRO COc1ccc(O)c(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c1 ZINC000182254795 474134423 /nfs/dbraw/zinc/13/44/23/474134423.db2.gz DIGCSPOYTRPKDT-UHFFFAOYSA-N 1 0 340.423 2.813 20 10 EFCDRO CCCOc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c(O)c1 ZINC000282649629 474142087 /nfs/dbraw/zinc/14/20/87/474142087.db2.gz HTRAVFSBRMDIQH-APWZRJJASA-N 1 0 349.471 2.838 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000282654840 474143851 /nfs/dbraw/zinc/14/38/51/474143851.db2.gz LJSWDNKCFKLSOY-IBGZPJMESA-N 1 0 330.472 2.962 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2=O)c1 ZINC000182322341 474149168 /nfs/dbraw/zinc/14/91/68/474149168.db2.gz FRBDYIPBTKYRCA-SUMWQHHRSA-N 1 0 326.396 2.857 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)c1 ZINC000182342814 474153026 /nfs/dbraw/zinc/15/30/26/474153026.db2.gz CXKKDLYCEDFHKZ-KGLIPLIRSA-N 1 0 328.412 2.756 20 10 EFCDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000275359375 474157163 /nfs/dbraw/zinc/15/71/63/474157163.db2.gz VIJIZFMZVKXICJ-LPHOPBHVSA-N 1 0 346.450 2.862 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCS(=O)(=O)c2ccccc2)c1 ZINC000182368577 474159696 /nfs/dbraw/zinc/15/96/96/474159696.db2.gz WFYIXINZWGTELM-CQSZACIVSA-N 1 0 349.452 2.915 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(CO)c1 ZINC000270541415 474163206 /nfs/dbraw/zinc/16/32/06/474163206.db2.gz XPIUBGQBECNVKJ-MRXNPFEDSA-N 1 0 326.440 2.866 20 10 EFCDRO COC(=O)C1(C[NH2+]Cc2cc(Br)cc(C)c2O)CC1 ZINC000188690819 474166193 /nfs/dbraw/zinc/16/61/93/474166193.db2.gz OSPNURHMOVTMPD-UHFFFAOYSA-N 1 0 328.206 2.506 20 10 EFCDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000182437919 474175338 /nfs/dbraw/zinc/17/53/38/474175338.db2.gz JGCPCOQHUVMBJL-UHFFFAOYSA-N 1 0 334.460 2.990 20 10 EFCDRO C[NH+](C)C1(CNC(=O)NCc2c(O)ccc3c2CCCC3)CCC1 ZINC000275424103 474181202 /nfs/dbraw/zinc/18/12/02/474181202.db2.gz ICDWQJPQLVMGMB-UHFFFAOYSA-N 1 0 331.460 2.555 20 10 EFCDRO COCCn1cc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000282763546 474184219 /nfs/dbraw/zinc/18/42/19/474184219.db2.gz OLBLSHWINGVROB-CQSZACIVSA-N 1 0 329.444 2.965 20 10 EFCDRO Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(O)c1O ZINC000182548052 474203858 /nfs/dbraw/zinc/20/38/58/474203858.db2.gz CQXIRKGROMZBTM-UHFFFAOYSA-N 1 0 332.444 2.933 20 10 EFCDRO COCCO[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000188824576 474208903 /nfs/dbraw/zinc/20/89/03/474208903.db2.gz CWJZUMLUTHXVOU-AWEZNQCLSA-N 1 0 344.249 2.700 20 10 EFCDRO C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[NH+]1CCCCCC1 ZINC000175426543 474216521 /nfs/dbraw/zinc/21/65/21/474216521.db2.gz JPVDPQCLWSDRHK-OAHLLOKOSA-N 1 0 331.460 2.743 20 10 EFCDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc(Br)ccc1O ZINC000227440780 474245594 /nfs/dbraw/zinc/24/55/94/474245594.db2.gz NIJMAKDGLPTGQK-SNVBAGLBSA-N 1 0 329.238 2.549 20 10 EFCDRO COc1ccc(O)c(C[N@H+](CCNC(C)=O)Cc2ccsc2)c1 ZINC000283016022 474273969 /nfs/dbraw/zinc/27/39/69/474273969.db2.gz LWUXKYITZDKUOV-UHFFFAOYSA-N 1 0 334.441 2.601 20 10 EFCDRO COC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000275667956 474274200 /nfs/dbraw/zinc/27/42/00/474274200.db2.gz BYNDWHHLDKQXOF-SFHVURJKSA-N 1 0 336.451 2.957 20 10 EFCDRO CC(C)(CNC(=O)Cc1ccc(N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000236661546 474278353 /nfs/dbraw/zinc/27/83/53/474278353.db2.gz XXDRFJPGYDUKRR-UHFFFAOYSA-N 1 0 337.467 2.764 20 10 EFCDRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000182930757 474290285 /nfs/dbraw/zinc/29/02/85/474290285.db2.gz LENQWDMCVCYPGE-QGZVFWFLSA-N 1 0 340.423 2.669 20 10 EFCDRO Cc1ccc(O)c(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000265780836 474333875 /nfs/dbraw/zinc/33/38/75/474333875.db2.gz OHEFUVQFNRLJCE-ICSRJNTNSA-N 1 0 340.467 2.673 20 10 EFCDRO CC[C@@H]([NH2+]Cc1cc(Br)ccc1O)[C@H](O)C(F)(F)F ZINC000270998345 474359944 /nfs/dbraw/zinc/35/99/44/474359944.db2.gz PPFOIBRGDHVGTC-KOLCDFICSA-N 1 0 342.155 2.946 20 10 EFCDRO C[C@H](c1ccccc1)[N@H+](CCN1CCNC1=O)Cc1ccccc1O ZINC000289657534 474364833 /nfs/dbraw/zinc/36/48/33/474364833.db2.gz CRUUBXGPASOICJ-MRXNPFEDSA-N 1 0 339.439 2.981 20 10 EFCDRO C[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccccc1O ZINC000183521422 474388669 /nfs/dbraw/zinc/38/86/69/474388669.db2.gz BXFXJPGKBWJHEK-SNVBAGLBSA-N 1 0 326.322 2.964 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccccc1O ZINC000183523525 474388939 /nfs/dbraw/zinc/38/89/39/474388939.db2.gz PWJZESALXKBREP-ILZDJORESA-N 1 0 340.467 2.926 20 10 EFCDRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccccc3O)C2=O)cc1 ZINC000183606349 474399361 /nfs/dbraw/zinc/39/93/61/474399361.db2.gz WHKWLRYCKNWNIW-KBXCAEBGSA-N 1 0 340.423 2.853 20 10 EFCDRO COC[C@@]1(C[NH2+]Cc2ccc(N(C)C)cc2)OCCc2ccccc21 ZINC000289738594 474403226 /nfs/dbraw/zinc/40/32/26/474403226.db2.gz GQQGXDMZEJGJEB-OAQYLSRUSA-N 1 0 340.467 2.957 20 10 EFCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C12CCC2 ZINC000266168177 474421319 /nfs/dbraw/zinc/42/13/19/474421319.db2.gz QEQARAUQJHQLIU-MOPGFXCFSA-N 1 0 330.472 2.961 20 10 EFCDRO CC(C)OC1CC([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000189524774 474432382 /nfs/dbraw/zinc/43/23/82/474432382.db2.gz AIGUHXHPVDXHDT-UHFFFAOYSA-N 1 0 332.488 2.941 20 10 EFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)COC(C)C ZINC000266534845 474434490 /nfs/dbraw/zinc/43/44/90/474434490.db2.gz HASYQURUNNKNSR-CQSZACIVSA-N 1 0 346.265 2.763 20 10 EFCDRO COC(=O)CN(CC[C@H]1CCC[N@@H+]1C)Cc1cc(Cl)ccc1O ZINC000271206697 474441145 /nfs/dbraw/zinc/44/11/45/474441145.db2.gz GLXQDZYSLXILPW-OAHLLOKOSA-N 1 0 340.851 2.505 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1F ZINC000289821478 474442502 /nfs/dbraw/zinc/44/25/02/474442502.db2.gz TYBCTVFKURGZKW-OLZOCXBDSA-N 1 0 334.357 2.884 20 10 EFCDRO CCOCc1cc(C[NH2+]CCc2cccnc2OC)ccc1OC ZINC000289825963 474444848 /nfs/dbraw/zinc/44/48/48/474444848.db2.gz NWVUPVQXWNFUKP-UHFFFAOYSA-N 1 0 330.428 2.968 20 10 EFCDRO CCOc1cccc(C[NH+]2CCN(c3ncc(C)s3)CC2)c1O ZINC000271215494 474446224 /nfs/dbraw/zinc/44/62/24/474446224.db2.gz WSWHHLPHKQUBOE-UHFFFAOYSA-N 1 0 333.457 2.878 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1F ZINC000271276144 474471150 /nfs/dbraw/zinc/47/11/50/474471150.db2.gz KZGNQEGQZIGJSU-CRAIPNDOSA-N 1 0 346.450 2.571 20 10 EFCDRO CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000189738955 474474317 /nfs/dbraw/zinc/47/43/17/474474317.db2.gz ZREWGPMNPOXBPS-UHFFFAOYSA-N 1 0 344.503 2.936 20 10 EFCDRO CN(C)c1ccc(CN(Cc2ccco2)Cc2cnnn2C)cc1 ZINC000289903111 474478297 /nfs/dbraw/zinc/47/82/97/474478297.db2.gz UORSDLLHXXGNSI-UHFFFAOYSA-N 1 0 325.416 2.677 20 10 EFCDRO Nc1ccc(CC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000237887393 474495038 /nfs/dbraw/zinc/49/50/38/474495038.db2.gz FZZCPSIYHUAQAX-UHFFFAOYSA-N 1 0 329.488 2.926 20 10 EFCDRO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000289942791 474496200 /nfs/dbraw/zinc/49/62/00/474496200.db2.gz XFKJHEUMTYNIRK-OAHLLOKOSA-N 1 0 336.432 2.892 20 10 EFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc4[nH]cnc4c3)c2)CC1 ZINC000184509117 474532317 /nfs/dbraw/zinc/53/23/17/474532317.db2.gz XOOLCZHQEQJPLW-UHFFFAOYSA-N 1 0 349.438 2.957 20 10 EFCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000271418288 474537465 /nfs/dbraw/zinc/53/74/65/474537465.db2.gz LRACAAQNQHDFSF-CYBMUJFWSA-N 1 0 342.233 2.930 20 10 EFCDRO O=S1(=O)CCC[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000290143283 474559250 /nfs/dbraw/zinc/55/92/50/474559250.db2.gz OERWKYTWQUFYQN-OAHLLOKOSA-N 1 0 345.464 2.974 20 10 EFCDRO COc1ccc(O)c(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)c1 ZINC000290210393 474562437 /nfs/dbraw/zinc/56/24/37/474562437.db2.gz QLLJGEBPSXJHKO-AWEZNQCLSA-N 1 0 344.411 2.501 20 10 EFCDRO CC(C)(C[NH2+]Cc1ccc(OCc2ccccc2)cc1O)OCCO ZINC000290250191 474563187 /nfs/dbraw/zinc/56/31/87/474563187.db2.gz VRMZVMQVJASHFN-UHFFFAOYSA-N 1 0 345.439 2.848 20 10 EFCDRO OC[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000290390682 474569275 /nfs/dbraw/zinc/56/92/75/474569275.db2.gz ITZVPTIHHAUIKR-APWZRJJASA-N 1 0 344.430 2.504 20 10 EFCDRO Cc1noc(CCC[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)n1 ZINC000271496029 474570495 /nfs/dbraw/zinc/57/04/95/474570495.db2.gz PWQGXIFBQUAQSH-CYBMUJFWSA-N 1 0 348.422 2.637 20 10 EFCDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccccc1O ZINC000277235786 474580549 /nfs/dbraw/zinc/58/05/49/474580549.db2.gz NTMRIJZNLURUAN-ZDUSSCGKSA-N 1 0 340.489 2.636 20 10 EFCDRO CCc1nnc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)[nH]1 ZINC000271532834 474580788 /nfs/dbraw/zinc/58/07/88/474580788.db2.gz PVPGXSLSQZCJKG-KGLIPLIRSA-N 1 0 329.448 2.616 20 10 EFCDRO COc1cc(Cl)cc(C[NH+]2CCC(N3CCCC3=O)CC2)c1O ZINC000184688792 474584357 /nfs/dbraw/zinc/58/43/57/474584357.db2.gz IHEZRFJFIDJTQJ-UHFFFAOYSA-N 1 0 338.835 2.641 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+]CCOCC(F)(F)C(F)F)c1 ZINC000277473303 474587914 /nfs/dbraw/zinc/58/79/14/474587914.db2.gz KPBDRUQJCTYGHT-UHFFFAOYSA-N 1 0 325.302 2.798 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCn2cc(Br)cn2)c1 ZINC000271823780 474595918 /nfs/dbraw/zinc/59/59/18/474595918.db2.gz OCNOULYIMNQFHI-JTQLQIEISA-N 1 0 340.221 2.711 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)cc1OC ZINC000271864949 474596899 /nfs/dbraw/zinc/59/68/99/474596899.db2.gz WACRGBMRCIPHKG-OIRASMEMSA-N 1 0 349.452 2.998 20 10 EFCDRO COc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nc1 ZINC000271926489 474597925 /nfs/dbraw/zinc/59/79/25/474597925.db2.gz LKYOXZQRSJTGDP-SFHVURJKSA-N 1 0 328.412 2.977 20 10 EFCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1COC3(CCCCCC3)O1)OCO2 ZINC000271964253 474599088 /nfs/dbraw/zinc/59/90/88/474599088.db2.gz GSCBJPFTRIDQOL-CQSZACIVSA-N 1 0 335.400 2.676 20 10 EFCDRO COc1c([O-])c(C[NH2+]CCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000278106299 474601402 /nfs/dbraw/zinc/60/14/02/474601402.db2.gz ATBIBZXVJWSYAM-UHFFFAOYSA-N 1 0 339.436 2.908 20 10 EFCDRO CN(C)c1ccc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)cc1 ZINC000267156873 474604495 /nfs/dbraw/zinc/60/44/95/474604495.db2.gz DTRNYABZQDFZIJ-UHFFFAOYSA-N 1 0 329.404 2.522 20 10 EFCDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000272404790 474610531 /nfs/dbraw/zinc/61/05/31/474610531.db2.gz JVSBBBPNXNJXMS-ACJLOTCBSA-N 1 0 337.416 2.621 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)OCc1ccccc13)OCO2 ZINC000184812062 474613123 /nfs/dbraw/zinc/61/31/23/474613123.db2.gz HGBLTDODRDYRRF-IBGZPJMESA-N 1 0 325.364 2.752 20 10 EFCDRO C[NH+]1CCC(C)(CNC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000272572587 474617963 /nfs/dbraw/zinc/61/79/63/474617963.db2.gz INTSYSDHEJOXHT-UHFFFAOYSA-N 1 0 344.503 2.818 20 10 EFCDRO Cc1cc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c(C)n1-c1ccccn1 ZINC000272751531 474624683 /nfs/dbraw/zinc/62/46/83/474624683.db2.gz OHTKAYAOLUHAHG-HNNXBMFYSA-N 1 0 338.455 2.869 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000272768747 474625325 /nfs/dbraw/zinc/62/53/25/474625325.db2.gz PUMHBYBWKANGPD-INIZCTEOSA-N 1 0 344.503 2.982 20 10 EFCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H](C)c1ccccc1O ZINC000272793702 474625340 /nfs/dbraw/zinc/62/53/40/474625340.db2.gz AAIWRRFWPBZHBJ-ACJLOTCBSA-N 1 0 337.423 2.881 20 10 EFCDRO C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C1=CC[N@H+](C)CC1 ZINC000272759803 474625389 /nfs/dbraw/zinc/62/53/89/474625389.db2.gz OQZGLMODROAAKX-MRXNPFEDSA-N 1 0 340.471 2.512 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccccc1O ZINC000272819729 474626640 /nfs/dbraw/zinc/62/66/40/474626640.db2.gz FMBRSHZOKMFQPX-XKGZKEIXSA-N 1 0 340.467 2.926 20 10 EFCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)n(C)n1 ZINC000284368451 474628093 /nfs/dbraw/zinc/62/80/93/474628093.db2.gz OCTDECBCQUDNAR-CQSZACIVSA-N 1 0 332.423 2.555 20 10 EFCDRO CCOc1ccc(O)c(C[NH+]2CCN(c3nc(C)cc(C)n3)CC2)c1 ZINC000272935603 474645239 /nfs/dbraw/zinc/64/52/39/474645239.db2.gz LCZLMDZJXVMIGT-UHFFFAOYSA-N 1 0 342.443 2.520 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278455652 474649052 /nfs/dbraw/zinc/64/90/52/474649052.db2.gz MAHVNOFRJMESDP-CYBMUJFWSA-N 1 0 332.444 2.704 20 10 EFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3(C)CCC3)CC2)cc1 ZINC000267472440 474672319 /nfs/dbraw/zinc/67/23/19/474672319.db2.gz RBXKXXYUZKEKGC-UHFFFAOYSA-N 1 0 345.487 2.514 20 10 EFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](C)C(=O)NC)cc1 ZINC000291763851 474676186 /nfs/dbraw/zinc/67/61/86/474676186.db2.gz RVTUJYHWDCVBEV-INIZCTEOSA-N 1 0 325.456 2.937 20 10 EFCDRO CC(=O)c1cc(Cl)cc(CN2CCC(F)(F)[C@H](CO)C2)c1O ZINC000291783554 474685182 /nfs/dbraw/zinc/68/51/82/474685182.db2.gz MJAURYKSNBXVQC-NSHDSACASA-N 1 0 333.762 2.698 20 10 EFCDRO Cc1cc(C(=O)NC[C@]2(C)CCC[NH2+]C2)c(C)n1-c1ccccn1 ZINC000273051688 474693105 /nfs/dbraw/zinc/69/31/05/474693105.db2.gz XEGRPBFWFYKOLS-LJQANCHMSA-N 1 0 326.444 2.609 20 10 EFCDRO COc1c([O-])c(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278563395 474704310 /nfs/dbraw/zinc/70/43/10/474704310.db2.gz BPBXFXUUPHLBSR-ZDUSSCGKSA-N 1 0 337.420 2.519 20 10 EFCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)c1O ZINC000278575182 474714634 /nfs/dbraw/zinc/71/46/34/474714634.db2.gz CNJCNYLWDYMANC-HNNXBMFYSA-N 1 0 334.851 2.846 20 10 EFCDRO COc1cc([N+](=O)[O-])c(N2CC[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000292930442 474720959 /nfs/dbraw/zinc/72/09/59/474720959.db2.gz AKZMFLGMUKMZOU-CYBMUJFWSA-N 1 0 335.404 2.534 20 10 EFCDRO Oc1cc2c(cc1C[NH2+]CCc1cc(C(F)(F)F)ccn1)OCO2 ZINC000293015700 474766855 /nfs/dbraw/zinc/76/68/55/474766855.db2.gz QDSYBNLKCDNSRS-UHFFFAOYSA-N 1 0 340.301 2.867 20 10 EFCDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(N(C)C)c(C)c1)CC2 ZINC000293026985 474772735 /nfs/dbraw/zinc/77/27/35/474772735.db2.gz IRLFWMORFQRUMR-OALUTQOASA-N 1 0 332.488 2.813 20 10 EFCDRO COC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)[C@@H]1CCCO1 ZINC000278702862 474784271 /nfs/dbraw/zinc/78/42/71/474784271.db2.gz HLTLPAXNWPOSQF-XEGUGMAKSA-N 1 0 344.249 2.999 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268113578 474805392 /nfs/dbraw/zinc/80/53/92/474805392.db2.gz DCGGEVNBAGTGBW-PBHICJAKSA-N 1 0 331.460 2.797 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268113582 474805458 /nfs/dbraw/zinc/80/54/58/474805458.db2.gz DCGGEVNBAGTGBW-RHSMWYFYSA-N 1 0 331.460 2.797 20 10 EFCDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccccc1O ZINC000284882727 474811895 /nfs/dbraw/zinc/81/18/95/474811895.db2.gz RDMDDCVWHIGZDV-SPYBWZPUSA-N 1 0 342.443 2.529 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccccc1O ZINC000273268531 474814077 /nfs/dbraw/zinc/81/40/77/474814077.db2.gz OCCQWDQLUMTPGM-WMLDXEAASA-N 1 0 325.412 2.629 20 10 EFCDRO COc1cc(O)c(C[NH2+]Cc2ccc3c(n2)CCCC3)cc1OC ZINC000278755622 474814532 /nfs/dbraw/zinc/81/45/32/474814532.db2.gz SLYWYGUNILDJPH-UHFFFAOYSA-N 1 0 328.412 2.973 20 10 EFCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)[C@H]1CCCO1 ZINC000278806337 474843798 /nfs/dbraw/zinc/84/37/98/474843798.db2.gz NGFRDOVDHKKRJY-VZJVUDMVSA-N 1 0 344.249 2.999 20 10 EFCDRO COc1cccc(C[NH2+][C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1O ZINC000278825940 474857593 /nfs/dbraw/zinc/85/75/93/474857593.db2.gz UKSPLLIHOCVKMH-GFCCVEGCSA-N 1 0 339.399 2.740 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000273364680 474862053 /nfs/dbraw/zinc/86/20/53/474862053.db2.gz DQEZZTUQYPENBK-ZDUSSCGKSA-N 1 0 334.441 2.923 20 10 EFCDRO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000273393920 474876308 /nfs/dbraw/zinc/87/63/08/474876308.db2.gz LLCVPFCOUSPYSI-CYBMUJFWSA-N 1 0 346.402 2.897 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)Cc2ccccc2)c1 ZINC000273413810 474887529 /nfs/dbraw/zinc/88/75/29/474887529.db2.gz QHNFQMDEXRBCQW-HNNXBMFYSA-N 1 0 333.453 2.966 20 10 EFCDRO Cc1cc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)ccc1N(C)C ZINC000293263752 474897610 /nfs/dbraw/zinc/89/76/10/474897610.db2.gz XOQOPKYLJRANPG-LJQANCHMSA-N 1 0 341.455 2.935 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1cc(F)ccc1O ZINC000273457936 474909309 /nfs/dbraw/zinc/90/93/09/474909309.db2.gz HJXIRJMCGCJCHF-CXAGYDPISA-N 1 0 328.387 2.983 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000273464416 474912379 /nfs/dbraw/zinc/91/23/79/474912379.db2.gz IPKDDQPNSHMNNQ-KSSFIOAISA-N 1 0 340.423 2.853 20 10 EFCDRO C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000273473474 474917148 /nfs/dbraw/zinc/91/71/48/474917148.db2.gz KDTHKOJJMCVSSB-CLFVBBPSSA-N 1 0 334.279 2.962 20 10 EFCDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000285225803 474934739 /nfs/dbraw/zinc/93/47/39/474934739.db2.gz PCGHJGXUBZLOEF-HNNXBMFYSA-N 1 0 342.439 2.985 20 10 EFCDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000285225808 474935268 /nfs/dbraw/zinc/93/52/68/474935268.db2.gz PCGHJGXUBZLOEF-OAHLLOKOSA-N 1 0 342.439 2.985 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c(O)c1C ZINC000273584481 474975198 /nfs/dbraw/zinc/97/51/98/474975198.db2.gz NLPILEJTXHKEPY-CQSZACIVSA-N 1 0 328.412 2.724 20 10 EFCDRO CC[C@@H]([NH2+]CCCOCCOCCOC)c1ccc(C)cc1O ZINC000279940170 475000669 /nfs/dbraw/zinc/00/06/69/475000669.db2.gz BDHKPKHZIINCJA-QGZVFWFLSA-N 1 0 325.449 2.811 20 10 EFCDRO CC[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(C)cc1O ZINC000280075611 475008116 /nfs/dbraw/zinc/00/81/16/475008116.db2.gz LJLUQYIOMNDYNH-JKSUJKDBSA-N 1 0 342.443 2.670 20 10 EFCDRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000280298659 475019592 /nfs/dbraw/zinc/01/95/92/475019592.db2.gz ORUVJSXYXHSREP-FQEVSTJZSA-N 1 0 340.423 2.669 20 10 EFCDRO COCC1(O)CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000280356538 475022503 /nfs/dbraw/zinc/02/25/03/475022503.db2.gz UICNNGLDYIHBTH-UHFFFAOYSA-N 1 0 346.393 2.745 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](OCCO)C2)c(C(F)(F)F)c1 ZINC000280381296 475022561 /nfs/dbraw/zinc/02/25/61/475022561.db2.gz WDMLBSDZGYGXKT-OAHLLOKOSA-N 1 0 346.393 2.745 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1 ZINC000285457807 475026532 /nfs/dbraw/zinc/02/65/32/475026532.db2.gz JPLWPTHZTJQKQA-QGZVFWFLSA-N 1 0 330.476 2.522 20 10 EFCDRO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccccc1O ZINC000285533798 475030230 /nfs/dbraw/zinc/03/02/30/475030230.db2.gz CTVDNBXBVWCVCS-MMNRESRNSA-N 1 0 345.487 2.517 20 10 EFCDRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000285708620 475038125 /nfs/dbraw/zinc/03/81/25/475038125.db2.gz DDWCCDFDACUQPB-MSOLQXFVSA-N 1 0 349.544 2.975 20 10 EFCDRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000285708623 475038195 /nfs/dbraw/zinc/03/81/95/475038195.db2.gz DDWCCDFDACUQPB-QZTJIDSGSA-N 1 0 349.544 2.975 20 10 EFCDRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000268780994 475041266 /nfs/dbraw/zinc/04/12/66/475041266.db2.gz PTLAEUCFCQHRSE-QKYXUNIQSA-N 1 0 347.478 2.940 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(N2CCOCC2)cc1 ZINC000268800306 475041599 /nfs/dbraw/zinc/04/15/99/475041599.db2.gz HJTUGUUYSQBWAF-KXBFYZLASA-N 1 0 340.471 2.985 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000285802165 475042702 /nfs/dbraw/zinc/04/27/02/475042702.db2.gz VHHGEYHDASTFJZ-CYBMUJFWSA-N 1 0 325.412 2.934 20 10 EFCDRO COc1cc(Cl)cc(C[NH+]2CCC3(CC2)OCCCO3)c1O ZINC000293616153 475042993 /nfs/dbraw/zinc/04/29/93/475042993.db2.gz KKGNOBISWOOJRD-UHFFFAOYSA-N 1 0 327.808 2.783 20 10 EFCDRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000293620884 475043141 /nfs/dbraw/zinc/04/31/41/475043141.db2.gz HBTHGHLSZJRZCT-AWEZNQCLSA-N 1 0 348.468 2.768 20 10 EFCDRO CC[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccccc1O ZINC000285859346 475044343 /nfs/dbraw/zinc/04/43/43/475044343.db2.gz ZOHXNJFZAHBLNR-ZFWWWQNUSA-N 1 0 332.366 2.696 20 10 EFCDRO CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCOC3(C)C)cc2F)CC1 ZINC000293644012 475044814 /nfs/dbraw/zinc/04/48/14/475044814.db2.gz IHMCIWNBBDPKDE-SFHVURJKSA-N 1 0 335.467 2.625 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(N2CCCCC2)cc1 ZINC000268854834 475046159 /nfs/dbraw/zinc/04/61/59/475046159.db2.gz CTAZANGKFXYQKC-DNVCBOLYSA-N 1 0 328.460 2.795 20 10 EFCDRO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000273768528 475049325 /nfs/dbraw/zinc/04/93/25/475049325.db2.gz QLSGTPQAOSJMLE-GOSISDBHSA-N 1 0 342.487 2.713 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c(O)c1 ZINC000293743485 475050335 /nfs/dbraw/zinc/05/03/35/475050335.db2.gz WBLDGXOMGPJDGE-LJQANCHMSA-N 1 0 349.471 2.838 20 10 EFCDRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000268887316 475051047 /nfs/dbraw/zinc/05/10/47/475051047.db2.gz ZCMWSWIDAOITMO-CBGDNZLLSA-N 1 0 345.531 2.714 20 10 EFCDRO CSC[C@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280884612 475054412 /nfs/dbraw/zinc/05/44/12/475054412.db2.gz NJZXMPXVUZIFTB-CQSZACIVSA-N 1 0 336.423 2.975 20 10 EFCDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000286389660 475063053 /nfs/dbraw/zinc/06/30/53/475063053.db2.gz IWINXQZJMRPMGK-HNNXBMFYSA-N 1 0 336.407 2.615 20 10 EFCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c(O)c1 ZINC000294604545 475075356 /nfs/dbraw/zinc/07/53/56/475075356.db2.gz DJIPYZKINFORJJ-AWEZNQCLSA-N 1 0 328.412 2.724 20 10 EFCDRO CCOc1ccc(O)c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000294792243 475082722 /nfs/dbraw/zinc/08/27/22/475082722.db2.gz MAEQNQZUKMVFAP-LSDHHAIUSA-N 1 0 340.423 2.572 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CSC[C@@H]3C)CC2)cc1 ZINC000294777529 475083445 /nfs/dbraw/zinc/08/34/45/475083445.db2.gz NKZFCTJOCCPCPA-QFBILLFUSA-N 1 0 349.544 2.548 20 10 EFCDRO COC1CCN(c2ccc(C[N@H+](C)[C@@H](C)C[S@](C)=O)cc2)CC1 ZINC000294868177 475088709 /nfs/dbraw/zinc/08/87/09/475088709.db2.gz AUXRXOFPKSAODY-WNSKOXEYSA-N 1 0 338.517 2.501 20 10 EFCDRO Oc1cc2c(cc1C[NH2+]Cc1ccnc(C(F)(F)F)c1)OCO2 ZINC000294953634 475093365 /nfs/dbraw/zinc/09/33/65/475093365.db2.gz DHJIVMKQOSVROV-UHFFFAOYSA-N 1 0 326.274 2.825 20 10 EFCDRO OCCCN1CCC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000295022759 475099025 /nfs/dbraw/zinc/09/90/25/475099025.db2.gz CKKGNPGEXLFPAD-HXUWFJFHSA-N 1 0 340.467 2.996 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000295125037 475105132 /nfs/dbraw/zinc/10/51/32/475105132.db2.gz NWBIHPQLIZORNC-LCSDZXHASA-N 1 0 348.443 2.917 20 10 EFCDRO OCCCN1CCC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000295138053 475107717 /nfs/dbraw/zinc/10/77/17/475107717.db2.gz PLEYPWYKZQLJEF-IBGZPJMESA-N 1 0 331.504 2.613 20 10 EFCDRO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295401248 475124622 /nfs/dbraw/zinc/12/46/22/475124622.db2.gz MDKAJOGSFPPOEW-CQSZACIVSA-N 1 0 331.485 2.999 20 10 EFCDRO C[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000295695592 475131116 /nfs/dbraw/zinc/13/11/16/475131116.db2.gz PCJMFGUBOJYYAI-RYUDHWBXSA-N 1 0 336.407 2.620 20 10 EFCDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cc2c(cc1O)CCCC2 ZINC000281287865 475154019 /nfs/dbraw/zinc/15/40/19/475154019.db2.gz XXJPVUABJLIDBI-ZDUSSCGKSA-N 1 0 337.485 2.889 20 10 EFCDRO C[C@@H]([NH2+]CC(C)(C)OCCO)c1ccc(Br)cc1O ZINC000287520130 475181609 /nfs/dbraw/zinc/18/16/09/475181609.db2.gz ZPADXZHADHRJIP-SNVBAGLBSA-N 1 0 332.238 2.593 20 10 EFCDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(Br)ccc1O ZINC000292781888 475194816 /nfs/dbraw/zinc/19/48/16/475194816.db2.gz UDUUECDKZNRASS-NSHDSACASA-N 1 0 343.265 2.797 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000287563195 475196846 /nfs/dbraw/zinc/19/68/46/475196846.db2.gz QGGSZDJCPLGYGQ-GJZGRUSLSA-N 1 0 347.459 2.732 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000350032098 476034123 /nfs/dbraw/zinc/03/41/23/476034123.db2.gz ITDXTTLPWIOKDO-FZKQIMNGSA-N 1 0 328.460 2.578 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000350090485 476044999 /nfs/dbraw/zinc/04/49/99/476044999.db2.gz ZVRIXHSLAQTVFP-CVEARBPZSA-N 1 0 340.471 2.865 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)c(O)c1C ZINC000359878973 476269570 /nfs/dbraw/zinc/26/95/70/476269570.db2.gz YPKDOACRGXVHRC-GOEBONIOSA-N 1 0 342.443 2.589 20 10 EFCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCO[C@@H]1C1CC1 ZINC000368769445 476369421 /nfs/dbraw/zinc/36/94/21/476369421.db2.gz ZQPCBMWISVEWIB-WOJBJXKFSA-N 1 0 330.472 2.818 20 10 EFCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000373163765 476379177 /nfs/dbraw/zinc/37/91/77/476379177.db2.gz KLPFKAYIPZOIGZ-DZGCQCFKSA-N 1 0 342.233 2.582 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c(O)c1 ZINC000373255281 476389333 /nfs/dbraw/zinc/38/93/33/476389333.db2.gz JLMNOHFRZNYDRC-CABCVRRESA-N 1 0 339.439 2.729 20 10 EFCDRO c1cc([C@@H]2CCCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)n[nH]1 ZINC000377617578 476475788 /nfs/dbraw/zinc/47/57/88/476475788.db2.gz AKXCBARTOGGFFI-IBGZPJMESA-N 1 0 326.444 2.974 20 10 EFCDRO CC[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccc(N(C)C)cc1 ZINC000374574040 476489543 /nfs/dbraw/zinc/48/95/43/476489543.db2.gz FIPQUGLRFBOKEB-QFBILLFUSA-N 1 0 327.476 2.806 20 10 EFCDRO Cc1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(C)n1-c1ccccn1 ZINC000374605490 476492679 /nfs/dbraw/zinc/49/26/79/476492679.db2.gz PHTKJYRTWOTOCI-RYQLBKOJSA-N 1 0 338.455 2.689 20 10 EFCDRO NC(=O)C1CC[NH+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000377646612 476496423 /nfs/dbraw/zinc/49/64/23/476496423.db2.gz JAYOPBVEJGKUAP-UHFFFAOYSA-N 1 0 349.478 2.947 20 10 EFCDRO C[C@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1O ZINC000374708686 476497051 /nfs/dbraw/zinc/49/70/51/476497051.db2.gz BPQAEUCRRYOBRL-AWEZNQCLSA-N 1 0 345.443 2.688 20 10 EFCDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000374783371 476527871 /nfs/dbraw/zinc/52/78/71/476527871.db2.gz QUBOYQTWAVSTRB-GFCCVEGCSA-N 1 0 332.379 2.592 20 10 EFCDRO Cc1ncc(/C=C/C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)s1 ZINC000370504293 476845254 /nfs/dbraw/zinc/84/52/54/476845254.db2.gz GGADYRZOQLDDKZ-VFNNOXKTSA-N 1 0 343.452 2.821 20 10 EFCDRO COc1c(O)c(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000370528731 476855720 /nfs/dbraw/zinc/85/57/20/476855720.db2.gz PSYPPUWXHDVFDA-OAHLLOKOSA-N 1 0 344.367 2.962 20 10 EFCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000423090474 476923660 /nfs/dbraw/zinc/92/36/60/476923660.db2.gz XRUGXYUMEBCSPE-KSZLIROESA-N 1 0 327.472 2.733 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000370773180 476978767 /nfs/dbraw/zinc/97/87/67/476978767.db2.gz MZPQRPPFRRYJKE-UZLBHIALSA-N 1 0 337.467 2.838 20 10 EFCDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(Cl)ccc3O)CC2)no1 ZINC000371412745 477301664 /nfs/dbraw/zinc/30/16/64/477301664.db2.gz XONNJXBCLPFKTI-UHFFFAOYSA-N 1 0 349.818 2.736 20 10 EFCDRO CN(C)c1ccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1F ZINC000371469978 477338925 /nfs/dbraw/zinc/33/89/25/477338925.db2.gz HSVQXDUXNMXPKW-ATZDWAIDSA-N 1 0 335.467 2.575 20 10 EFCDRO COc1ccc(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)c(O)c1 ZINC000376567494 477407584 /nfs/dbraw/zinc/40/75/84/477407584.db2.gz WQROUWDWFBADBY-UHFFFAOYSA-N 1 0 347.459 2.607 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418095631 477465539 /nfs/dbraw/zinc/46/55/39/477465539.db2.gz HCLWXSSBBIWRKG-GASCZTMLSA-N 1 0 326.444 2.523 20 10 EFCDRO Cc1cn[nH]c1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000368092232 477784209 /nfs/dbraw/zinc/78/42/09/477784209.db2.gz ZVXLQSYTVULOEX-HNNXBMFYSA-N 1 0 334.851 2.831 20 10 EFCDRO CCOc1cccc(CN2CCNC(=O)[C@@H]2c2ccccc2C)c1O ZINC000368114580 477787118 /nfs/dbraw/zinc/78/71/18/477787118.db2.gz AQHKUMRQOOZUIS-SFHVURJKSA-N 1 0 340.423 2.772 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000372437291 477796749 /nfs/dbraw/zinc/79/67/49/477796749.db2.gz MDWUFHLALGRGHC-ICSRJNTNSA-N 1 0 327.472 2.635 20 10 EFCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccccc1O ZINC000368408794 477803998 /nfs/dbraw/zinc/80/39/98/477803998.db2.gz FMRIVNJLROFCLH-PBHICJAKSA-N 1 0 339.439 2.811 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2c(O)ccc3ccc(OC)cc32)CCO1 ZINC000530107181 477876900 /nfs/dbraw/zinc/87/69/00/477876900.db2.gz QBMHSCKHSYRKDY-MRXNPFEDSA-N 1 0 331.412 2.791 20 10 EFCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1COCCN1 ZINC000530222559 477878624 /nfs/dbraw/zinc/87/86/24/477878624.db2.gz GFYCFYBJJJOLLN-IEBWSBKVSA-N 1 0 326.440 2.644 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(CC[NH+](C)C)C(C)C ZINC000472218887 478013094 /nfs/dbraw/zinc/01/30/94/478013094.db2.gz APGKJYLSCNGMQZ-UHFFFAOYSA-N 1 0 330.476 2.968 20 10 EFCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000475200119 478017173 /nfs/dbraw/zinc/01/71/73/478017173.db2.gz YSMKHTSJRPJHHO-UHFFFAOYSA-N 1 0 347.418 2.873 20 10 EFCDRO COc1cccc([C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)OC)c1 ZINC000527735346 478497655 /nfs/dbraw/zinc/49/76/55/478497655.db2.gz IWTRVTDNPGXWSP-SFHVURJKSA-N 1 0 331.368 2.607 20 10 EFCDRO C[NH+](C)CCNC(=O)c1ccc(NCc2cc(Cl)ccc2O)cc1 ZINC000527761353 478507569 /nfs/dbraw/zinc/50/75/69/478507569.db2.gz CUHGKJZGVHTVGD-UHFFFAOYSA-N 1 0 347.846 2.949 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC3=CC[NH2+]CC3)ccc21 ZINC000582129460 478518986 /nfs/dbraw/zinc/51/89/86/478518986.db2.gz BWJPAYDTUUCSIS-UHFFFAOYSA-N 1 0 341.455 2.554 20 10 EFCDRO COc1ccc(N(C)C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)cc1Cl ZINC000592536432 478937188 /nfs/dbraw/zinc/93/71/88/478937188.db2.gz FCGHWWWCXCXTDV-LLVKDONJSA-N 1 0 348.834 2.658 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000669573670 481218211 /nfs/dbraw/zinc/21/82/11/481218211.db2.gz ZSOMQUNHOZUTRV-OAHLLOKOSA-N 1 0 328.460 2.676 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]([NH3+])C[C@H]3C)ccc21 ZINC000654822106 482065723 /nfs/dbraw/zinc/06/57/23/482065723.db2.gz IDUIGTNESPMBRJ-CXAGYDPISA-N 1 0 343.471 2.856 20 10 EFCDRO C[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)[N@H+](C)C1CC1 ZINC000171632892 533970297 /nfs/dbraw/zinc/97/02/97/533970297.db2.gz TZSRKCYINPKYSY-HNNXBMFYSA-N 1 0 330.476 2.569 20 10 EFCDRO Cc1ccc(O)c(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000172116240 534196835 /nfs/dbraw/zinc/19/68/35/534196835.db2.gz GWKAPQXBKSPKFP-UHFFFAOYSA-N 1 0 339.844 2.918 20 10 EFCDRO CCCNC(=O)C[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000036780957 519880106 /nfs/dbraw/zinc/88/01/06/519880106.db2.gz OSGCXFUHQJCCPS-LBPRGKRZSA-N 1 0 329.238 2.722 20 10 EFCDRO CS(=O)(=O)Cc1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000297759979 525143485 /nfs/dbraw/zinc/14/34/85/525143485.db2.gz ORIFDRRXTBVFQH-MRXNPFEDSA-N 1 0 331.437 2.714 20 10 EFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1O ZINC000177100803 527205677 /nfs/dbraw/zinc/20/56/77/527205677.db2.gz ISTZNQLEVNBNIE-LBPRGKRZSA-N 1 0 339.819 2.833 20 10 EFCDRO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(C3OCCO3)CC2)c1O ZINC000177097613 527207220 /nfs/dbraw/zinc/20/72/20/527207220.db2.gz XXQSEYOJPZKNCI-UHFFFAOYSA-N 1 0 339.819 2.833 20 10 EFCDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000177881270 527810873 /nfs/dbraw/zinc/81/08/73/527810873.db2.gz NDZBUXDBSDHOQE-SFHVURJKSA-N 1 0 342.487 2.546 20 10 EFCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000177854963 527829152 /nfs/dbraw/zinc/82/91/52/527829152.db2.gz PONSFZBCJXJPFF-GOSISDBHSA-N 1 0 344.503 2.770 20 10 EFCDRO CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000189152492 528068160 /nfs/dbraw/zinc/06/81/60/528068160.db2.gz LNPBZYORFRTFES-UHFFFAOYSA-N 1 0 338.471 2.765 20 10 EFCDRO CCNC(=O)CC[N@H+](CC)Cc1cc(Br)ccc1O ZINC000174423525 528072039 /nfs/dbraw/zinc/07/20/39/528072039.db2.gz QUMUYCVJAUTBHU-UHFFFAOYSA-N 1 0 329.238 2.503 20 10 EFCDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000174442565 528252932 /nfs/dbraw/zinc/25/29/32/528252932.db2.gz DWEXFUYXLVNHPX-OAHLLOKOSA-N 1 0 336.455 2.517 20 10 EFCDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000175640634 528285521 /nfs/dbraw/zinc/28/55/21/528285521.db2.gz MWMBMPJHEDRJGC-IBGZPJMESA-N 1 0 344.503 2.913 20 10 EFCDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000173292330 528285711 /nfs/dbraw/zinc/28/57/11/528285711.db2.gz JKJALFRCKHIXKA-IBGZPJMESA-N 1 0 342.487 2.689 20 10 EFCDRO CCOC(=O)CCCC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000172621833 528694527 /nfs/dbraw/zinc/69/45/27/528694527.db2.gz JYDUJCOQHWBPOP-UHFFFAOYSA-N 1 0 334.460 2.941 20 10 EFCDRO CC(C)[NH+]1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000173387840 528998903 /nfs/dbraw/zinc/99/89/03/528998903.db2.gz XUQHVXSLBLHFGH-UHFFFAOYSA-N 1 0 345.487 2.943 20 10 EFCDRO CCOCc1cc(C[NH2+][C@@H](C)C(=O)NCc2ccco2)ccc1OC ZINC000171786062 529034151 /nfs/dbraw/zinc/03/41/51/529034151.db2.gz QAGBQKGLEMCRAP-AWEZNQCLSA-N 1 0 346.427 2.619 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)C3CC3)cc2F)CC1 ZINC000171702959 529153038 /nfs/dbraw/zinc/15/30/38/529153038.db2.gz ADTTWLQUCAPIFR-AWEZNQCLSA-N 1 0 348.466 2.565 20 10 EFCDRO CC[C@@H]([NH2+]CCCOCCO)c1cc(Br)ccc1O ZINC000157923294 529162553 /nfs/dbraw/zinc/16/25/53/529162553.db2.gz NNJKTVZJDMNYMD-CYBMUJFWSA-N 1 0 332.238 2.594 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1ccccc1O ZINC000155050891 529186868 /nfs/dbraw/zinc/18/68/68/529186868.db2.gz QGKKNCNVAQACLT-MRXNPFEDSA-N 1 0 348.468 2.883 20 10 EFCDRO CCN(C)C(=O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295460981 535727077 /nfs/dbraw/zinc/72/70/77/535727077.db2.gz QUIKTSYQENHJAG-UHFFFAOYSA-N 1 0 331.485 2.952 20 10 EFCDRO CCOc1ccc(O)c(C[NH+]2CCN(c3ccc(F)cn3)CC2)c1 ZINC000367724654 535752158 /nfs/dbraw/zinc/75/21/58/535752158.db2.gz GUQXQSZGODBYAB-UHFFFAOYSA-N 1 0 331.391 2.647 20 10 EFCDRO CC[C@H]([NH2+]C[C@H](COC)OC)c1cc(Br)ccc1O ZINC000229574296 535909195 /nfs/dbraw/zinc/90/91/95/535909195.db2.gz ORNBFWIVRJJXLS-YPMHNXCESA-N 1 0 332.238 2.857 20 10 EFCDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(N)cc1 ZINC000237241847 536449262 /nfs/dbraw/zinc/44/92/62/536449262.db2.gz SQBSBGKTWUWILL-LJQANCHMSA-N 1 0 337.467 2.792 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)c2C)cc1 ZINC000262893792 536552028 /nfs/dbraw/zinc/55/20/28/536552028.db2.gz OUZRIAMIUXMLGO-XJKSGUPXSA-N 1 0 341.455 2.973 20 10 EFCDRO COC[C@@H](CCO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000367225648 536609270 /nfs/dbraw/zinc/60/92/70/536609270.db2.gz UPQHXLSHYXWJFP-HXUWFJFHSA-N 1 0 340.467 2.736 20 10 EFCDRO COC(=O)c1ccc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000298320671 536657754 /nfs/dbraw/zinc/65/77/54/536657754.db2.gz RRIHHDJGSQJMOQ-UHFFFAOYSA-N 1 0 329.352 2.540 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)Cc3ccccc3)CC2)cc1 ZINC000305108408 536669794 /nfs/dbraw/zinc/66/97/94/536669794.db2.gz DUXONIKGUKRSFG-FQEVSTJZSA-N 1 0 340.467 2.857 20 10 EFCDRO COC1CCN(c2ccc(CN(C)CC[N@H+](C)C3CC3)cc2)CC1 ZINC000295816582 536756812 /nfs/dbraw/zinc/75/68/12/536756812.db2.gz UVCFZOUWQDVUFB-UHFFFAOYSA-N 1 0 331.504 2.828 20 10 EFCDRO Cn1cc(C(=O)N2CCc3c2cccc3Cl)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333250365 545872599 /nfs/dbraw/zinc/87/25/99/545872599.db2.gz GQCQMSFZEXXFNX-GFCCVEGCSA-N 1 0 344.846 2.743 20 10 EFCDRO CCC[N@H+](CC(=O)N(C)C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000754723757 575477434 /nfs/dbraw/zinc/47/74/34/575477434.db2.gz UHVJERGDBIXPJO-UHFFFAOYSA-N 1 0 336.476 2.999 20 10 EFCDRO COCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000756378406 575726496 /nfs/dbraw/zinc/72/64/96/575726496.db2.gz CWMVBALVXSWYOS-ZDUSSCGKSA-N 1 0 344.411 2.837 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(NS(C)(=O)=O)c2)c1 ZINC000756384081 575727471 /nfs/dbraw/zinc/72/74/71/575727471.db2.gz NEKVOPKAFUDSSD-CYBMUJFWSA-N 1 0 334.441 2.923 20 10 EFCDRO C[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1cc(F)ccc1O ZINC000756385548 575727667 /nfs/dbraw/zinc/72/76/67/575727667.db2.gz RWWWILUUBILMTP-NSHDSACASA-N 1 0 338.404 2.754 20 10 EFCDRO CCC[C@H](C)C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000756387810 575728238 /nfs/dbraw/zinc/72/82/38/575728238.db2.gz MISLJKKWUCKPMS-QFBILLFUSA-N 1 0 347.503 2.808 20 10 EFCDRO CCC[C@@H](C)C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000756387812 575728676 /nfs/dbraw/zinc/72/86/76/575728676.db2.gz MISLJKKWUCKPMS-VQIMIIECSA-N 1 0 347.503 2.808 20 10 EFCDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000756447358 575741542 /nfs/dbraw/zinc/74/15/42/575741542.db2.gz UQYQVZWDHPNSGP-AWEZNQCLSA-N 1 0 348.468 2.601 20 10 EFCDRO CCN(CC)C(=O)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000756457268 575742167 /nfs/dbraw/zinc/74/21/67/575742167.db2.gz PPMJEYMXKPQPPQ-SNVBAGLBSA-N 1 0 329.238 2.674 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)c(O)c1C ZINC000756484569 575747324 /nfs/dbraw/zinc/74/73/24/575747324.db2.gz YTBZRGQRJWBDRK-OAHLLOKOSA-N 1 0 348.468 2.638 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1cc(Br)ccc1O ZINC000756510042 575752051 /nfs/dbraw/zinc/75/20/51/575752051.db2.gz GJOWEALOGYXWKA-MFKMUULPSA-N 1 0 344.249 2.593 20 10 EFCDRO C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc(Br)cc1O ZINC000756562622 575762823 /nfs/dbraw/zinc/76/28/23/575762823.db2.gz HCLGGSZHWSWETR-NEPJUHHUSA-N 1 0 344.249 2.858 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC000756661167 575773970 /nfs/dbraw/zinc/77/39/70/575773970.db2.gz YYYNYRYYRHHBJI-UKRRQHHQSA-N 1 0 332.444 2.843 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c2c1c(F)ccc2O ZINC000756709436 575779566 /nfs/dbraw/zinc/77/95/66/575779566.db2.gz ZKRXUMJPTARLLJ-PWSUYJOCSA-N 1 0 329.437 2.883 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1cc(F)ccc1O ZINC000756757441 575784294 /nfs/dbraw/zinc/78/42/94/575784294.db2.gz NQLKHVMQZRRCEH-LLVKDONJSA-N 1 0 335.400 2.712 20 10 EFCDRO C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1cc2c(cc1O)CCCC2 ZINC000756763707 575785058 /nfs/dbraw/zinc/78/50/58/575785058.db2.gz XNXQHYQECJFDJE-ZDUSSCGKSA-N 1 0 337.485 2.746 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000756763775 575785244 /nfs/dbraw/zinc/78/52/44/575785244.db2.gz YSLYNQLPNBJQJZ-GUYCJALGSA-N 1 0 332.444 2.985 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000756770058 575785562 /nfs/dbraw/zinc/78/55/62/575785562.db2.gz ISZYXRJULOMXMZ-ZUEVXXBESA-N 1 0 331.412 2.536 20 10 EFCDRO CCOC(=O)C1(C[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000770665610 581123053 /nfs/dbraw/zinc/12/30/53/581123053.db2.gz NBVIPVNOJCWZPP-UHFFFAOYSA-N 1 0 328.206 2.588 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000758485625 575870771 /nfs/dbraw/zinc/87/07/71/575870771.db2.gz AHSKMOHKTUAXCZ-UHFFFAOYSA-N 1 0 330.403 2.961 20 10 EFCDRO OC[C@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)C[C@@H]1c1ccc(F)cc1 ZINC000758526214 575871617 /nfs/dbraw/zinc/87/16/17/575871617.db2.gz FMAOFEHXUHLAMM-DNVCBOLYSA-N 1 0 345.370 2.516 20 10 EFCDRO COc1cccc(O)c1C[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000758526579 575871630 /nfs/dbraw/zinc/87/16/30/575871630.db2.gz XTDFINZKQPOLOH-APWZRJJASA-N 1 0 331.387 2.796 20 10 EFCDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000758591463 575873543 /nfs/dbraw/zinc/87/35/43/575873543.db2.gz BPMPBNDMLMTSLZ-CYBMUJFWSA-N 1 0 342.534 2.655 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)CC(F)F)ccc1N1CCCCC1 ZINC000758612685 575874109 /nfs/dbraw/zinc/87/41/09/575874109.db2.gz HCNQTUYOFVRKFN-CYBMUJFWSA-N 1 0 343.374 2.691 20 10 EFCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000758613733 575874156 /nfs/dbraw/zinc/87/41/56/575874156.db2.gz GDHVYTPFLNJYCG-MRXNPFEDSA-N 1 0 340.423 2.539 20 10 EFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000758802595 575877681 /nfs/dbraw/zinc/87/76/81/575877681.db2.gz NJKWUTMVKGOTJN-SFHVURJKSA-N 1 0 342.487 2.736 20 10 EFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000758849730 575878708 /nfs/dbraw/zinc/87/87/08/575878708.db2.gz XYTSWPWXBBWMRA-MRXNPFEDSA-N 1 0 345.487 2.945 20 10 EFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000758851766 575878784 /nfs/dbraw/zinc/87/87/84/575878784.db2.gz IYWUYBFMBQJYRL-ZIAGYGMSSA-N 1 0 335.448 2.635 20 10 EFCDRO CC1(CC[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)OCCO1 ZINC000759179908 575886405 /nfs/dbraw/zinc/88/64/05/575886405.db2.gz NZGYHVNVZNPGEM-UHFFFAOYSA-N 1 0 349.431 2.828 20 10 EFCDRO CCOC(=O)C1CCC(O)(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000759436120 575891670 /nfs/dbraw/zinc/89/16/70/575891670.db2.gz JKOFTEJUXPJLLQ-FVWXCPNNSA-N 1 0 348.487 2.888 20 10 EFCDRO C[C@@H](CNC(=O)NCCCSc1nccs1)[NH+]1CCCCC1 ZINC000759571422 575902833 /nfs/dbraw/zinc/90/28/33/575902833.db2.gz ZTEGHQOXSOXZPH-ZDUSSCGKSA-N 1 0 342.534 2.799 20 10 EFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCCSc1nccs1 ZINC000759586588 575904972 /nfs/dbraw/zinc/90/49/72/575904972.db2.gz RZIWIPQLZOBGSM-CYBMUJFWSA-N 1 0 342.534 2.799 20 10 EFCDRO C[NH+](C)CC1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000759592038 575905611 /nfs/dbraw/zinc/90/56/11/575905611.db2.gz VWLMSKUBAJRJBQ-UHFFFAOYSA-N 1 0 342.534 2.609 20 10 EFCDRO O=C(NCCCSc1nccs1)N1CC[NH+](C2CCC2)CC1 ZINC000759600257 575907404 /nfs/dbraw/zinc/90/74/04/575907404.db2.gz CHORBMZUOKMXOJ-UHFFFAOYSA-N 1 0 340.518 2.505 20 10 EFCDRO CCc1ccc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)o1 ZINC000760654818 576058320 /nfs/dbraw/zinc/05/83/20/576058320.db2.gz BLDIPTFXSNFKSK-INIZCTEOSA-N 1 0 341.455 2.834 20 10 EFCDRO COC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)cc(OC)c1O)CC2 ZINC000761202830 576128699 /nfs/dbraw/zinc/12/86/99/576128699.db2.gz NWWNVBCVKIULNH-CYBMUJFWSA-N 1 0 339.819 2.829 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c1O ZINC000761216887 576131078 /nfs/dbraw/zinc/13/10/78/576131078.db2.gz ZJEFWRZBCWLMNV-AWEZNQCLSA-N 1 0 341.835 2.872 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1 ZINC000761229692 576133629 /nfs/dbraw/zinc/13/36/29/576133629.db2.gz SDEYXTCWKSCQQJ-KRWDZBQOSA-N 1 0 330.476 2.569 20 10 EFCDRO C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000762790208 576331789 /nfs/dbraw/zinc/33/17/89/576331789.db2.gz YQZBYXJFCUHEQL-YLJYHZDGSA-N 1 0 331.504 2.784 20 10 EFCDRO O=C1CCCCN1C1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000763227173 576368125 /nfs/dbraw/zinc/36/81/25/576368125.db2.gz WSYXVAHOSKAUFM-UHFFFAOYSA-N 1 0 339.439 2.917 20 10 EFCDRO COc1ccc(O)c(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1 ZINC000763444506 576377621 /nfs/dbraw/zinc/37/76/21/576377621.db2.gz PDAJXUWEVKZEMU-IEBWSBKVSA-N 1 0 331.387 2.796 20 10 EFCDRO CC[N@H+](CCc1cccs1)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000764215405 576441743 /nfs/dbraw/zinc/44/17/43/576441743.db2.gz LRYXOTRGTYCXQA-UHFFFAOYSA-N 1 0 345.512 2.995 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1F ZINC000764842436 576510763 /nfs/dbraw/zinc/51/07/63/576510763.db2.gz UKJNVYNPIINMAA-MRXNPFEDSA-N 1 0 348.466 2.708 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCN4CCCC[C@@H]34)CC2)cc1 ZINC000764965224 576529298 /nfs/dbraw/zinc/52/92/98/576529298.db2.gz JEIZUIJWEVPXSV-PMACEKPBSA-N 1 0 329.488 2.880 20 10 EFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C(C3CC3)C3CC3)cc2)C1 ZINC000765243298 577022591 /nfs/dbraw/zinc/02/25/91/577022591.db2.gz JPUIYMZNTDQEAO-QGZVFWFLSA-N 1 0 327.472 2.667 20 10 EFCDRO CNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000765241540 577022610 /nfs/dbraw/zinc/02/26/10/577022610.db2.gz XPTBKIZHMYCVAQ-OAHLLOKOSA-N 1 0 341.455 2.728 20 10 EFCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CC1 ZINC000765256671 577023931 /nfs/dbraw/zinc/02/39/31/577023931.db2.gz VPWUVNWGGKZMRA-IEBWSBKVSA-N 1 0 329.488 2.913 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cncs1 ZINC000765256542 577023944 /nfs/dbraw/zinc/02/39/44/577023944.db2.gz UKXCIQWBWIPWJT-UKRRQHHQSA-N 1 0 344.484 2.696 20 10 EFCDRO O=S1(=O)CCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000765267614 577024902 /nfs/dbraw/zinc/02/49/02/577024902.db2.gz QBPOMIHJGSDCEZ-KRWDZBQOSA-N 1 0 331.437 2.726 20 10 EFCDRO C[C@@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1ccc(N(C)C)cc1 ZINC000765398410 577038303 /nfs/dbraw/zinc/03/83/03/577038303.db2.gz ZOQUHEKMNFWZAZ-CQSZACIVSA-N 1 0 337.423 2.699 20 10 EFCDRO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765435694 577041979 /nfs/dbraw/zinc/04/19/79/577041979.db2.gz ASAMHRXLKSFEHO-CABCVRRESA-N 1 0 344.434 2.734 20 10 EFCDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H]1C ZINC000765717940 577070336 /nfs/dbraw/zinc/07/03/36/577070336.db2.gz MEXQDRPIGLSYKR-DLBZAZTESA-N 1 0 342.487 2.687 20 10 EFCDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765981510 577094994 /nfs/dbraw/zinc/09/49/94/577094994.db2.gz VWKQPEIQAYWXJP-WMZOPIPTSA-N 1 0 336.501 2.590 20 10 EFCDRO CCc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)[nH]n1 ZINC000766005634 577097593 /nfs/dbraw/zinc/09/75/93/577097593.db2.gz WWRAPMFKTZRZMC-ZDUSSCGKSA-N 1 0 332.423 2.799 20 10 EFCDRO C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766383302 577142729 /nfs/dbraw/zinc/14/27/29/577142729.db2.gz ROXQQIFMINANIS-HZPDHXFCSA-N 1 0 335.467 2.655 20 10 EFCDRO COCOc1ccc(OC)cc1C[NH2+]Cc1cc(OC)ccc1O ZINC000766472229 577155333 /nfs/dbraw/zinc/15/53/33/577155333.db2.gz SSYCTPHNPJELLM-UHFFFAOYSA-N 1 0 333.384 2.682 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H]3c4ccccc4C[C@H]3O)CC2)cc1 ZINC000766549861 577165402 /nfs/dbraw/zinc/16/54/02/577165402.db2.gz QKTUMDCCCARUDV-NHCUHLMSSA-N 1 0 338.451 2.912 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H]3c4ccccc4C[C@@H]3O)CC2)cc1 ZINC000766549866 577165485 /nfs/dbraw/zinc/16/54/85/577165485.db2.gz QKTUMDCCCARUDV-SFTDATJTSA-N 1 0 338.451 2.912 20 10 EFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)c1O ZINC000766978042 577190538 /nfs/dbraw/zinc/19/05/38/577190538.db2.gz NJUCYTRBIUTYGJ-SGTLLEGYSA-N 1 0 331.387 2.988 20 10 EFCDRO COc1cccc(C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)c1O ZINC000725847804 577248053 /nfs/dbraw/zinc/24/80/53/577248053.db2.gz IHJJJLDOIZUCTA-UHFFFAOYSA-N 1 0 326.396 2.583 20 10 EFCDRO O=C(C[NH2+]Cc1cc2c(cc1O)OCO2)Nc1ccc(Cl)cc1 ZINC000725849333 577249484 /nfs/dbraw/zinc/24/94/84/577249484.db2.gz DZLMWOJNHGJCGR-UHFFFAOYSA-N 1 0 334.759 2.503 20 10 EFCDRO CCCC[N@H+](Cc1ccc(OCC)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000768169037 577258994 /nfs/dbraw/zinc/25/89/94/577258994.db2.gz CCOOEQJIHXSVNK-OAHLLOKOSA-N 1 0 341.473 2.580 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)NCCOC)CC2)cc1 ZINC000768236003 577262199 /nfs/dbraw/zinc/26/21/99/577262199.db2.gz GGNLNPJYXCDRNJ-UHFFFAOYSA-N 1 0 347.503 2.507 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000768245526 577262721 /nfs/dbraw/zinc/26/27/21/577262721.db2.gz APEAQDJTJCCFAZ-UHFFFAOYSA-N 1 0 336.432 2.844 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c(O)c1 ZINC000768252124 577263021 /nfs/dbraw/zinc/26/30/21/577263021.db2.gz XUHQKRZNJPYBBZ-UHFFFAOYSA-N 1 0 332.366 2.861 20 10 EFCDRO CN(C)c1ccc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1F ZINC000768252134 577263035 /nfs/dbraw/zinc/26/30/35/577263035.db2.gz XYAUDASKQBQZKG-KRWDZBQOSA-N 1 0 335.467 2.578 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000768352607 577267976 /nfs/dbraw/zinc/26/79/76/577267976.db2.gz PBOKXMGBQVYSOB-CYBMUJFWSA-N 1 0 336.432 2.890 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H](C)Cc3cnn(C)c3)CC2)cc1 ZINC000768402282 577271728 /nfs/dbraw/zinc/27/17/28/577271728.db2.gz JBDIHPYQFORAAH-HNNXBMFYSA-N 1 0 328.460 2.618 20 10 EFCDRO COc1cccc(O)c1C[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000768422652 577272685 /nfs/dbraw/zinc/27/26/85/577272685.db2.gz IKMAYWYFSOAIBS-UHFFFAOYSA-N 1 0 340.423 2.925 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](Cc3ccccc3)C1)[C@H](O)CO2 ZINC000768448993 577274733 /nfs/dbraw/zinc/27/47/33/577274733.db2.gz YZTDWXQAEUELLE-DNVCBOLYSA-N 1 0 325.408 2.883 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3cccc(F)c3)C1)[C@@H](O)CO2 ZINC000768452703 577275043 /nfs/dbraw/zinc/27/50/43/577275043.db2.gz QVDBSFMPELSEEE-ACJLOTCBSA-N 1 0 329.371 2.947 20 10 EFCDRO CN(C)c1cccc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)c1 ZINC000768462480 577275594 /nfs/dbraw/zinc/27/55/94/577275594.db2.gz LVLLZRUDNIWXGN-SFHVURJKSA-N 1 0 328.412 2.516 20 10 EFCDRO C[C@]1(c2ccccc2)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000768462724 577275906 /nfs/dbraw/zinc/27/59/06/577275906.db2.gz CFSJHFKWWIYWHK-AZUAARDMSA-N 1 0 341.407 2.566 20 10 EFCDRO COc1cc(O)c(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1OC ZINC000768467115 577276554 /nfs/dbraw/zinc/27/65/54/577276554.db2.gz ZDWPPJXBGKKVEV-HNNXBMFYSA-N 1 0 334.460 2.573 20 10 EFCDRO Cc1cc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000768845820 577308977 /nfs/dbraw/zinc/30/89/77/577308977.db2.gz OSUXNZKZRAFARC-LSDHHAIUSA-N 1 0 326.444 2.654 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000768948518 577319521 /nfs/dbraw/zinc/31/95/21/577319521.db2.gz KYZUMRYWRVSQMO-UHFFFAOYSA-N 1 0 344.503 2.831 20 10 EFCDRO Cc1ccc(C(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)c(O)c1O ZINC000769095948 577333825 /nfs/dbraw/zinc/33/38/25/577333825.db2.gz SRVBOTLWHOSKEN-UHFFFAOYSA-N 1 0 333.359 2.834 20 10 EFCDRO CCOc1ccc(C[N@H+](C)C[C@H](O)COCc2ccccc2)c(O)c1 ZINC000769099284 577334220 /nfs/dbraw/zinc/33/42/20/577334220.db2.gz CIHOYMRMMFGPNE-SFHVURJKSA-N 1 0 345.439 2.800 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000769194516 577343578 /nfs/dbraw/zinc/34/35/78/577343578.db2.gz HEAGGMBMRWVOFR-CYBMUJFWSA-N 1 0 336.432 2.747 20 10 EFCDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769209846 577344776 /nfs/dbraw/zinc/34/47/76/577344776.db2.gz NOPCZUCWEWWHOY-CABCVRRESA-N 1 0 334.460 2.918 20 10 EFCDRO CC(C)(O)C[NH+]1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000769301398 577350534 /nfs/dbraw/zinc/35/05/34/577350534.db2.gz PBIRCLXWQIAQFN-UHFFFAOYSA-N 1 0 340.467 2.948 20 10 EFCDRO Fc1cc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)ccc1N1CCOCC1 ZINC000769313606 577351180 /nfs/dbraw/zinc/35/11/80/577351180.db2.gz UZWTUOYULAUKNO-KRWDZBQOSA-N 1 0 344.434 2.696 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1F ZINC000769330425 577352645 /nfs/dbraw/zinc/35/26/45/577352645.db2.gz WMBUKJAHOWQIBN-WOJBJXKFSA-N 1 0 349.494 2.703 20 10 EFCDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCc2ccccc2O)C1 ZINC000726237060 577357187 /nfs/dbraw/zinc/35/71/87/577357187.db2.gz JHTMBZRLSKOUPB-GJZGRUSLSA-N 1 0 333.476 2.948 20 10 EFCDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000726244411 577357574 /nfs/dbraw/zinc/35/75/74/577357574.db2.gz HSZHOOSKEVQLHU-OAHLLOKOSA-N 1 0 332.492 2.599 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000769388533 577357908 /nfs/dbraw/zinc/35/79/08/577357908.db2.gz SORMZBHMTOXISD-CQSZACIVSA-N 1 0 334.460 2.775 20 10 EFCDRO OCCCC[NH+]1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000769397640 577358826 /nfs/dbraw/zinc/35/88/26/577358826.db2.gz QAFXSKWUCVNVKJ-UHFFFAOYSA-N 1 0 331.504 2.567 20 10 EFCDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000769467818 577364802 /nfs/dbraw/zinc/36/48/02/577364802.db2.gz ZKYKMBSOYZPHSJ-CVEARBPZSA-N 1 0 335.467 2.577 20 10 EFCDRO CCOC(=O)C1([N@H+](C)Cc2cc3c(cc2O)OCO3)CCCCC1 ZINC000769502826 577367992 /nfs/dbraw/zinc/36/79/92/577367992.db2.gz AGOVCGUHMBLWCY-UHFFFAOYSA-N 1 0 335.400 2.819 20 10 EFCDRO C[C@H]1CN(c2ccc(C[NH2+]CC3=CCCOC3)cc2F)C[C@H](C)O1 ZINC000769926129 577393948 /nfs/dbraw/zinc/39/39/48/577393948.db2.gz IIELVSZAWVGTQA-GJZGRUSLSA-N 1 0 334.435 2.876 20 10 EFCDRO C[C@@H]1CN(c2ccc(C[NH2+]CC3=CCCOC3)cc2F)C[C@@H](C)O1 ZINC000769926131 577393965 /nfs/dbraw/zinc/39/39/65/577393965.db2.gz IIELVSZAWVGTQA-HUUCEWRRSA-N 1 0 334.435 2.876 20 10 EFCDRO C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@H]1CN(C)CCO1 ZINC000769933867 577394073 /nfs/dbraw/zinc/39/40/73/577394073.db2.gz JRLSFZUHDXXVNI-MGPUTAFESA-N 1 0 326.440 2.868 20 10 EFCDRO CCOc1ccc(C[NH2+]Cc2nc3cc(OC)ccc3n2C)c(O)c1 ZINC000769938250 577394435 /nfs/dbraw/zinc/39/44/35/577394435.db2.gz VPUKRXMARFRQHF-UHFFFAOYSA-N 1 0 341.411 2.976 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000770290615 577410318 /nfs/dbraw/zinc/41/03/18/577410318.db2.gz FCBZUPJJSWRRIB-UHFFFAOYSA-N 1 0 332.444 2.768 20 10 EFCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(N4CCOCC4)c(F)c3)CC[C@H]21 ZINC000770351132 577412332 /nfs/dbraw/zinc/41/23/32/577412332.db2.gz JHBVLFPWBAOACW-IEBWSBKVSA-N 1 0 347.478 2.578 20 10 EFCDRO Nc1ccc(Cc2nc(C(=O)OCC[NH+]3CCCCC3)cs2)cc1 ZINC000770411290 577416242 /nfs/dbraw/zinc/41/62/42/577416242.db2.gz MSPOUAADLIXDKW-UHFFFAOYSA-N 1 0 345.468 2.959 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@]2(CC(=O)OC)CCCOC2)cc1 ZINC000770680650 581124915 /nfs/dbraw/zinc/12/49/15/581124915.db2.gz VFIGOGPVIZCAAD-IBGZPJMESA-N 1 0 334.460 2.735 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)Cc2cnc(N3CCCC3)nc2)cc1 ZINC000771933101 581261461 /nfs/dbraw/zinc/26/14/61/581261461.db2.gz DUJGCKYJVBGRLK-UHFFFAOYSA-N 1 0 325.460 2.775 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccc(N(C)C)cc1 ZINC000773040047 581390052 /nfs/dbraw/zinc/39/00/52/581390052.db2.gz INYYHDGZJUXEMS-CQSZACIVSA-N 1 0 344.480 2.933 20 10 EFCDRO C[C@@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000773136545 581400091 /nfs/dbraw/zinc/40/00/91/581400091.db2.gz IYHLHMVGBDUYKF-CQSZACIVSA-N 1 0 330.476 2.740 20 10 EFCDRO C[C@@H](NC(=O)NCC[N@H+](C)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000773271108 581412783 /nfs/dbraw/zinc/41/27/83/581412783.db2.gz BRQZZYGWZYIUNM-OAHLLOKOSA-N 1 0 332.492 2.987 20 10 EFCDRO C[C@H](NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773314610 581417470 /nfs/dbraw/zinc/41/74/70/581417470.db2.gz KMAYBVYSBGUDQC-YOEHRIQHSA-N 1 0 330.476 2.597 20 10 EFCDRO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773365828 581423533 /nfs/dbraw/zinc/42/35/33/581423533.db2.gz ZYMJUCAYKMPDRC-GJZGRUSLSA-N 1 0 330.476 2.597 20 10 EFCDRO C[C@H](NC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773371707 581424005 /nfs/dbraw/zinc/42/40/05/581424005.db2.gz ULTWRLWRZUALTB-OFQRWUPVSA-N 1 0 330.476 2.738 20 10 EFCDRO C[C@H](NC(=O)N(C)CC1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000773610280 581450292 /nfs/dbraw/zinc/45/02/92/581450292.db2.gz HKBLJPRXCYOPTL-HNNXBMFYSA-N 1 0 332.492 2.797 20 10 EFCDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000773612890 581450490 /nfs/dbraw/zinc/45/04/90/581450490.db2.gz NDNSRBZHRCNNHE-YXJHDRRASA-N 1 0 330.476 2.740 20 10 EFCDRO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773615262 581450691 /nfs/dbraw/zinc/45/06/91/581450691.db2.gz VRNHOMBCZOIQHY-YJBOKZPZSA-N 1 0 332.492 2.939 20 10 EFCDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(N(C)CC)cc1)CC2 ZINC000773752656 581461451 /nfs/dbraw/zinc/46/14/51/581461451.db2.gz IRKPUJJVYWQEED-RBUKOAKNSA-N 1 0 332.488 2.895 20 10 EFCDRO CCN(C)c1ccc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC000773887143 581472127 /nfs/dbraw/zinc/47/21/27/581472127.db2.gz BNJCANAHGYUEMZ-VQTJNVASSA-N 1 0 331.504 2.876 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@H]3COC4(CCCC4)O3)CC2)cc1 ZINC000774466068 581492264 /nfs/dbraw/zinc/49/22/64/581492264.db2.gz BHCSLVAEQTXDST-IBGZPJMESA-N 1 0 346.471 2.939 20 10 EFCDRO C[C@@H]([NH2+][C@H](Cc1ccc(F)cc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774483791 581492587 /nfs/dbraw/zinc/49/25/87/581492587.db2.gz LZNZSFMPELZSDY-FZKQIMNGSA-N 1 0 329.419 2.639 20 10 EFCDRO CCOc1ccc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c(O)c1 ZINC000821422035 599397804 /nfs/dbraw/zinc/39/78/04/599397804.db2.gz KJPZBBKMWFNEKK-GFCCVEGCSA-N 1 0 339.399 2.822 20 10 EFCDRO Cc1cc(O)c(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)cc1C ZINC000822210535 599459492 /nfs/dbraw/zinc/45/94/92/599459492.db2.gz GQHWAMMECHFURJ-UHFFFAOYSA-N 1 0 327.363 2.618 20 10 EFCDRO c1nc2n(c1C[NH2+]Cc1ccc(N3CCSCC3)cc1)CCC2 ZINC000850034527 1250235129 /nfs/dbraw/zinc/23/51/29/1250235129.db2.gz MMHDSOXIXQZOAA-UHFFFAOYSA-N 1 0 328.485 2.672 20 10 EFCDRO COc1cc(C[NH2+][C@H](C)CN2CCCC2=O)c(O)c(C(C)(C)C)c1 ZINC000850038223 1250239323 /nfs/dbraw/zinc/23/93/23/1250239323.db2.gz SPXCVEKCPJFQHP-CYBMUJFWSA-N 1 0 334.460 2.799 20 10 EFCDRO CC(C)n1ccnc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000850072559 1250258912 /nfs/dbraw/zinc/25/89/12/1250258912.db2.gz BSEDXTBIRJZWSG-UHFFFAOYSA-N 1 0 346.450 2.854 20 10 EFCDRO COc1cc(C[NH2+][C@H]2CCc3nc(C)nn3C2)c(O)c(C(C)(C)C)c1 ZINC000850117263 1250292510 /nfs/dbraw/zinc/29/25/10/1250292510.db2.gz YFULNRVKSVWRTF-AWEZNQCLSA-N 1 0 344.459 2.703 20 10 EFCDRO COc1cc(C[NH2+]CCOC[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850129964 1250300443 /nfs/dbraw/zinc/30/04/43/1250300443.db2.gz CRFALURJLNKTSP-CQSZACIVSA-N 1 0 337.460 2.841 20 10 EFCDRO COc1cc(C[NH2+][C@@H](C)[C@H](CO)SC)c(O)c(C(C)(C)C)c1 ZINC000850153316 1250322330 /nfs/dbraw/zinc/32/23/30/1250322330.db2.gz WROOKRLNHDRMGQ-NHYWBVRUSA-N 1 0 327.490 2.900 20 10 EFCDRO COc1cc(C[NH2+]C[C@](C)(O)CSC)c(O)c(C(C)(C)C)c1 ZINC000850152721 1250322646 /nfs/dbraw/zinc/32/26/46/1250322646.db2.gz YKYSLDHQIMKECZ-KRWDZBQOSA-N 1 0 327.490 2.902 20 10 EFCDRO COc1cc(C[NH2+]C[C@@]2(O)CCSC2)c(O)c(C(C)(C)C)c1 ZINC000850170571 1250332231 /nfs/dbraw/zinc/33/22/31/1250332231.db2.gz MLXQTJDHXYNEHR-KRWDZBQOSA-N 1 0 325.474 2.656 20 10 EFCDRO COc1cc(C[NH2+][C@H](C)CC[S@@](C)=O)c(O)c(C(C)(C)C)c1 ZINC000850182659 1250341957 /nfs/dbraw/zinc/34/19/57/1250341957.db2.gz JFKDEEOPFQSKKK-VERVWZFWSA-N 1 0 327.490 2.945 20 10 EFCDRO COc1cc(C[NH2+]CCNc2cnccn2)c(O)c(C(C)(C)C)c1 ZINC000850188040 1250343953 /nfs/dbraw/zinc/34/39/53/1250343953.db2.gz RPBIQFYSBNBENU-UHFFFAOYSA-N 1 0 330.432 2.690 20 10 EFCDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850246147 1250372872 /nfs/dbraw/zinc/37/28/72/1250372872.db2.gz GFLLUBQZGUYOLB-IAGOWNOFSA-N 1 0 337.460 2.982 20 10 EFCDRO COc1cc(C[NH2+]C[C@@H]2CCOC[C@H]2OC)c(O)c(C(C)(C)C)c1 ZINC000850315726 1250423448 /nfs/dbraw/zinc/42/34/48/1250423448.db2.gz KJELUDBQAYIOOH-SUMWQHHRSA-N 1 0 337.460 2.839 20 10 EFCDRO COc1cc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c(O)c(C(C)(C)C)c1 ZINC000850319758 1250426159 /nfs/dbraw/zinc/42/61/59/1250426159.db2.gz FSQKPDGNLQCGJQ-WMLDXEAASA-N 1 0 346.471 2.941 20 10 EFCDRO COc1cc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000850325737 1250429183 /nfs/dbraw/zinc/42/91/83/1250429183.db2.gz BKADCFAGIBFPGS-GUYCJALGSA-N 1 0 337.460 2.575 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cncc(OC)c3)C2)cc1 ZINC000850329911 1250433251 /nfs/dbraw/zinc/43/32/51/1250433251.db2.gz FWMCTVFHMVUZTJ-HNNXBMFYSA-N 1 0 327.428 2.715 20 10 EFCDRO C[C@H](CN1CCC(C)CC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850386970 1250458654 /nfs/dbraw/zinc/45/86/54/1250458654.db2.gz NPGRTABEBNBGIH-GOSISDBHSA-N 1 0 331.504 2.733 20 10 EFCDRO CCCn1nccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406748 1250469628 /nfs/dbraw/zinc/46/96/28/1250469628.db2.gz RWYJXGOHLCATHV-UHFFFAOYSA-N 1 0 328.460 2.544 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000850406821 1250470338 /nfs/dbraw/zinc/47/03/38/1250470338.db2.gz VEIYFBYDQSKXMZ-QGZVFWFLSA-N 1 0 330.472 2.839 20 10 EFCDRO COC1([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CCC1 ZINC000850426598 1250481188 /nfs/dbraw/zinc/48/11/88/1250481188.db2.gz DNTXJPCGGBNYIA-AWEZNQCLSA-N 1 0 336.451 2.834 20 10 EFCDRO COC1([C@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CCC1 ZINC000850426930 1250481314 /nfs/dbraw/zinc/48/13/14/1250481314.db2.gz IGINVHAYISWNNC-INIZCTEOSA-N 1 0 332.488 2.943 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCCn4nccc43)C2)cc1 ZINC000850474698 1250497136 /nfs/dbraw/zinc/49/71/36/1250497136.db2.gz RDCJDMYTTZLYPJ-MAUKXSAKSA-N 1 0 326.444 2.843 20 10 EFCDRO C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850514153 1250517989 /nfs/dbraw/zinc/51/79/89/1250517989.db2.gz CRGBCAIDWORTEP-ZIAGYGMSSA-N 1 0 338.879 2.988 20 10 EFCDRO COc1ccc(N2C[C@@H]([NH2+][C@@H](C)c3cc(F)ccc3O)CC2=O)cc1 ZINC000850516096 1250520289 /nfs/dbraw/zinc/52/02/89/1250520289.db2.gz SLIDONFHKCOEDL-JSGCOSHPSA-N 1 0 344.386 2.996 20 10 EFCDRO CCCN1CC[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000850556060 1250535049 /nfs/dbraw/zinc/53/50/49/1250535049.db2.gz QJFJHZHCJFISHZ-WBVHZDCISA-N 1 0 335.467 2.797 20 10 EFCDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000850565854 1250539280 /nfs/dbraw/zinc/53/92/80/1250539280.db2.gz IIVHGEGKHUSPEZ-OAHLLOKOSA-N 1 0 328.460 2.715 20 10 EFCDRO C[C@H](Cc1ccncc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566644 1250539299 /nfs/dbraw/zinc/53/92/99/1250539299.db2.gz QGYFSKMYCMOEAP-MRXNPFEDSA-N 1 0 325.456 2.764 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCOCC1 ZINC000850566921 1250539458 /nfs/dbraw/zinc/53/94/58/1250539458.db2.gz UITLWUVTQUREMX-HXUWFJFHSA-N 1 0 332.488 2.943 20 10 EFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000850565586 1250539484 /nfs/dbraw/zinc/53/94/84/1250539484.db2.gz GRSFAUTWZNVKRK-RTBURBONSA-N 1 0 332.488 2.941 20 10 EFCDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(C)n1 ZINC000850565731 1250539795 /nfs/dbraw/zinc/53/97/95/1250539795.db2.gz HSXYXHHLSGGUOI-CQSZACIVSA-N 1 0 340.471 2.905 20 10 EFCDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000850568003 1250540334 /nfs/dbraw/zinc/54/03/34/1250540334.db2.gz NUEZYVKRLRDTOV-ZOCIIQOWSA-N 1 0 332.488 2.797 20 10 EFCDRO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568335 1250540527 /nfs/dbraw/zinc/54/05/27/1250540527.db2.gz VREUKOIHLNCDDQ-XLIONFOSSA-N 1 0 332.488 2.943 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCC34CCOCC4)cc2)CC1 ZINC000850568381 1250540698 /nfs/dbraw/zinc/54/06/98/1250540698.db2.gz WPLIUMVLTLVIED-LJQANCHMSA-N 1 0 330.472 2.697 20 10 EFCDRO Cc1ncncc1[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850569167 1250541218 /nfs/dbraw/zinc/54/12/18/1250541218.db2.gz WEVDBXBBWLAYFC-CQSZACIVSA-N 1 0 326.444 2.597 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NCC2([NH3+])CCCC2)cc1F ZINC000851655978 1251181228 /nfs/dbraw/zinc/18/12/28/1251181228.db2.gz AHRCYHAUPKQGCK-UHFFFAOYSA-N 1 0 336.455 2.743 20 10 EFCDRO C[C@@](O)(C[NH2+]Cc1c(O)cccc1Br)C(F)(F)F ZINC000706881459 1251264600 /nfs/dbraw/zinc/26/46/00/1251264600.db2.gz SPFIMPIJAGQYPU-SNVBAGLBSA-N 1 0 328.128 2.558 20 10 EFCDRO OC[C@@H](Cc1ccccc1)[NH2+]Cc1c(O)cccc1Br ZINC000706830548 1251264662 /nfs/dbraw/zinc/26/46/62/1251264662.db2.gz ZZGUMFIPLGIJPC-CYBMUJFWSA-N 1 0 336.229 2.848 20 10 EFCDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cccc(O)c1O ZINC000185889041 1253320068 /nfs/dbraw/zinc/32/00/68/1253320068.db2.gz HRGZSIROCMRUNG-UHFFFAOYSA-N 1 0 328.412 2.738 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccns3)CC2)cc1C ZINC000996637093 1255611291 /nfs/dbraw/zinc/61/12/91/1255611291.db2.gz AVVASIFKFAQFSL-UHFFFAOYSA-N 1 0 345.468 2.855 20 10 EFCDRO Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000922429140 1266001100 /nfs/dbraw/zinc/00/11/00/1266001100.db2.gz KKNNZZWXVFKTRX-UHFFFAOYSA-N 1 0 325.334 2.935 20 10 EFCDRO c1ncn(Cc2ccccc2C[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000921519320 1256891860 /nfs/dbraw/zinc/89/18/60/1256891860.db2.gz CZGJLSLBJUOROS-UHFFFAOYSA-N 1 0 334.423 2.941 20 10 EFCDRO CS(=O)(=O)Nc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921539036 1257080397 /nfs/dbraw/zinc/08/03/97/1257080397.db2.gz FCASMNUXOHNYOQ-UHFFFAOYSA-N 1 0 346.452 2.673 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3nocc3C)CC2)cc1C ZINC000997151255 1257132518 /nfs/dbraw/zinc/13/25/18/1257132518.db2.gz DRBBACDEKPSTFK-UHFFFAOYSA-N 1 0 343.427 2.694 20 10 EFCDRO COc1ccc(C[NH2+]CC2CCN(C(=O)C(F)F)CC2)cc1C ZINC000997459694 1257610673 /nfs/dbraw/zinc/61/06/73/1257610673.db2.gz VZCQAKSIRYIYQR-UHFFFAOYSA-N 1 0 326.387 2.597 20 10 EFCDRO CCOCCN1CCC2(CC[NH+](Cc3ccc(C)cc3O)CC2)C1=O ZINC001272764627 1257676018 /nfs/dbraw/zinc/67/60/18/1257676018.db2.gz BSOAJZNQLLGBLX-UHFFFAOYSA-N 1 0 346.471 2.552 20 10 EFCDRO COc1ccc(C[NH2+]CC2CCN(C(=O)c3cocn3)CC2)cc1C ZINC000997607006 1258106194 /nfs/dbraw/zinc/10/61/94/1258106194.db2.gz NZYKVKWISSEMJQ-UHFFFAOYSA-N 1 0 343.427 2.634 20 10 EFCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(F)c1 ZINC000922567299 1266273541 /nfs/dbraw/zinc/27/35/41/1266273541.db2.gz SVECVAHLDDXYCY-FQEVSTJZSA-N 1 0 344.430 2.660 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000708507672 1259756949 /nfs/dbraw/zinc/75/69/49/1259756949.db2.gz VVUVTSJAHRCYOI-LPHOPBHVSA-N 1 0 337.467 2.696 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCOC3)C2)cc1C ZINC000998721024 1259863889 /nfs/dbraw/zinc/86/38/89/1259863889.db2.gz KOAWLIINIUTDOL-ROUUACIJSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCCO3)C2)cc1C ZINC000998931229 1260093933 /nfs/dbraw/zinc/09/39/33/1260093933.db2.gz WMMQUPDQMGCYAK-HKUYNNGSSA-N 1 0 346.471 2.653 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccns3)C2)cc1C ZINC000999295978 1260498242 /nfs/dbraw/zinc/49/82/42/1260498242.db2.gz XROFYKWBGHDZHJ-OAHLLOKOSA-N 1 0 345.468 2.855 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[C@@H](C)O3)C2)cc1C ZINC000999439576 1260628809 /nfs/dbraw/zinc/62/88/09/1260628809.db2.gz IAOXXLFEJSLPCK-FOSZKXBFSA-N 1 0 346.471 2.650 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3cc(F)c[nH]3)C2)cc1C ZINC000999727223 1260850628 /nfs/dbraw/zinc/85/06/28/1260850628.db2.gz GPXCACNPIWGHKS-MRXNPFEDSA-N 1 0 345.418 2.865 20 10 EFCDRO CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC([NH2+]CC2CCC2)C1 ZINC000999904376 1260971645 /nfs/dbraw/zinc/97/16/45/1260971645.db2.gz DPVYSUYDTHROMG-UHFFFAOYSA-N 1 0 343.431 2.842 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@]3(CC(=O)N(C)C3=O)C2)cc1 ZINC001272916349 1261326091 /nfs/dbraw/zinc/32/60/91/1261326091.db2.gz GCGNSNDNPKFRJJ-HXUWFJFHSA-N 1 0 343.471 2.504 20 10 EFCDRO CCCCN1CC[C@@]2(CC[N@H+](Cc3ccc(N(C)C)cc3)C2)C1=O ZINC001272916453 1261326933 /nfs/dbraw/zinc/32/69/33/1261326933.db2.gz IJMZFXJOGMJLIJ-HXUWFJFHSA-N 1 0 329.488 2.977 20 10 EFCDRO CC(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(N(C)C)cc2)C1=O ZINC001272916760 1261327678 /nfs/dbraw/zinc/32/76/78/1261327678.db2.gz LDYCXLCAUYEQTA-HXUWFJFHSA-N 1 0 329.488 2.976 20 10 EFCDRO C[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000186479939 1261404250 /nfs/dbraw/zinc/40/42/50/1261404250.db2.gz SAOMEWJVRCNJNY-OAHLLOKOSA-N 1 0 336.451 2.866 20 10 EFCDRO CCCC(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001078316952 1261616097 /nfs/dbraw/zinc/61/60/97/1261616097.db2.gz GRVLMJPOGVJLAO-QGZVFWFLSA-N 1 0 334.460 2.511 20 10 EFCDRO CC[C@H](C)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001078341265 1261669820 /nfs/dbraw/zinc/66/98/20/1261669820.db2.gz BNEPMZTZZBSZBX-MAUKXSAKSA-N 1 0 348.487 2.757 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC3(F)F)C[C@H]2C)cc1C ZINC001082501713 1263197801 /nfs/dbraw/zinc/19/78/01/1263197801.db2.gz LONCIWUQWGPORK-BPLDGKMQSA-N 1 0 338.398 2.595 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](F)C(C)C)C[C@H]2C)cc1C ZINC001082691648 1263278382 /nfs/dbraw/zinc/27/83/82/1263278382.db2.gz JJSXAQHMRLTWSA-QGPMSJSTSA-N 1 0 336.451 2.934 20 10 EFCDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922015442 1264126665 /nfs/dbraw/zinc/12/66/65/1264126665.db2.gz SJWYSKMFLLHRGJ-CQSZACIVSA-N 1 0 332.444 2.968 20 10 EFCDRO Cc1cc(N2CCC([NH2+]Cc3ccc4c(c3)CCCO4)CC2)n[nH]1 ZINC000922036644 1264192852 /nfs/dbraw/zinc/19/28/52/1264192852.db2.gz RCYNIGFUNYNMSR-UHFFFAOYSA-N 1 0 326.444 2.802 20 10 EFCDRO CC(C)(C)c1cccc(C[N@@H+]2CCOC[C@](O)(C(F)(F)F)C2)c1O ZINC001143103579 1264215526 /nfs/dbraw/zinc/21/55/26/1264215526.db2.gz FVBNEYRAXKIYKR-INIZCTEOSA-N 1 0 347.377 2.815 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)CC(C)(C)O)c1O ZINC000824696779 1278230444 /nfs/dbraw/zinc/23/04/44/1278230444.db2.gz SNVPXNHNFCCVEW-VIFPVBQESA-N 1 0 332.238 2.802 20 10 EFCDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCCO2)[C@@H]1COCC12OCCO2 ZINC000922177597 1264764496 /nfs/dbraw/zinc/76/44/96/1264764496.db2.gz JLRFCYYXTCJEKE-SFHVURJKSA-N 1 0 347.455 2.517 20 10 EFCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000733324437 1265167632 /nfs/dbraw/zinc/16/76/32/1265167632.db2.gz YJLYVPCDIXBKSS-UHFFFAOYSA-N 1 0 328.803 2.975 20 10 EFCDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(S(=O)(=O)NC(C)C)c2)c1 ZINC000733325850 1265169410 /nfs/dbraw/zinc/16/94/10/1265169410.db2.gz ZNBZXRGREDQKIK-UHFFFAOYSA-N 1 0 348.468 2.677 20 10 EFCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)cc1C ZINC000824738374 1278251312 /nfs/dbraw/zinc/25/13/12/1278251312.db2.gz MNOLPWJWRAZHJI-UHFFFAOYSA-N 1 0 348.468 2.549 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccn[nH]2)cc1C ZINC001085139943 1265295147 /nfs/dbraw/zinc/29/51/47/1265295147.db2.gz IIFRMDJFIMOWNC-HZPDHXFCSA-N 1 0 342.443 2.558 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCOC2)cc1C ZINC001085146894 1265308754 /nfs/dbraw/zinc/30/87/54/1265308754.db2.gz GNJBCFDVYIOPHT-KZNAEPCWSA-N 1 0 346.471 2.557 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccon2)cc1C ZINC001085143990 1265312935 /nfs/dbraw/zinc/31/29/35/1265312935.db2.gz ZRRLPOGLNLQPGF-HZPDHXFCSA-N 1 0 343.427 2.822 20 10 EFCDRO COc1ccc(O)c(CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000734065106 1266846665 /nfs/dbraw/zinc/84/66/65/1266846665.db2.gz VQHHNTPKEPXHID-HNNXBMFYSA-N 1 0 349.456 2.564 20 10 EFCDRO Cc1cc(O)c(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1Cl ZINC000824761809 1278286553 /nfs/dbraw/zinc/28/65/53/1278286553.db2.gz KKKSCYOWEJDMDS-INIZCTEOSA-N 1 0 337.895 2.566 20 10 EFCDRO CCOc1ccc(C[NH+]2CCN(c3ccnc(F)c3)CC2)c(O)c1 ZINC000824805016 1278292331 /nfs/dbraw/zinc/29/23/31/1278292331.db2.gz CZTCWWZDGRUHLW-UHFFFAOYSA-N 1 0 331.391 2.647 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000734687022 1267064331 /nfs/dbraw/zinc/06/43/31/1267064331.db2.gz CHFYXPOQBFHHIX-UHFFFAOYSA-N 1 0 332.492 2.544 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000734688868 1267065088 /nfs/dbraw/zinc/06/50/88/1267065088.db2.gz SRXHSDZKNZUTLQ-LJQANCHMSA-N 1 0 344.503 2.831 20 10 EFCDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000734667662 1267070201 /nfs/dbraw/zinc/07/02/01/1267070201.db2.gz KVHQUKISPUVXOS-INIZCTEOSA-N 1 0 332.492 2.592 20 10 EFCDRO CN1CCCc2cc(C[NH+]3CCC4(CCC(=O)N(C)C4)CC3)ccc21 ZINC001273321308 1267226476 /nfs/dbraw/zinc/22/64/76/1267226476.db2.gz VVWUGTWZIHGBNK-UHFFFAOYSA-N 1 0 341.499 2.903 20 10 EFCDRO Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1O ZINC000824832436 1278324456 /nfs/dbraw/zinc/32/44/56/1278324456.db2.gz YLIXHVDQECYZJJ-OCCSQVGLSA-N 1 0 342.361 2.543 20 10 EFCDRO Fc1cc(C[N@@H+]2CCSC[C@H]2C2CC2)ccc1N1CCOCC1 ZINC000824914805 1278341166 /nfs/dbraw/zinc/34/11/66/1278341166.db2.gz ZPVOPDONEOJTSM-SFHVURJKSA-N 1 0 336.476 2.990 20 10 EFCDRO COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000186775956 1267706843 /nfs/dbraw/zinc/70/68/43/1267706843.db2.gz UVTXUJMGQFCZBB-STQMWFEESA-N 1 0 336.432 2.918 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)C(=O)NCCc2ccccc2)c1 ZINC000825035867 1278390767 /nfs/dbraw/zinc/39/07/67/1278390767.db2.gz UBNQGRATCBSBHM-HNNXBMFYSA-N 1 0 342.439 2.628 20 10 EFCDRO CCOc1ccc(C[NH2+][C@@H](C)C(=O)NCCc2ccccc2)c(O)c1 ZINC000825035450 1278391597 /nfs/dbraw/zinc/39/15/97/1278391597.db2.gz LFURDQIBONOBPT-HNNXBMFYSA-N 1 0 342.439 2.628 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)c1 ZINC000825046476 1278395845 /nfs/dbraw/zinc/39/58/45/1278395845.db2.gz UPPRMXPCCDJVDX-VEVIJQCQSA-N 1 0 331.416 2.705 20 10 EFCDRO CC(C)C(=O)N1CCC[N@H+](Cc2c(O)ccc3ccncc32)CC1 ZINC000738086648 1268322011 /nfs/dbraw/zinc/32/20/11/1268322011.db2.gz LDBPSOMCJXPMDA-UHFFFAOYSA-N 1 0 327.428 2.631 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000825063434 1278402745 /nfs/dbraw/zinc/40/27/45/1278402745.db2.gz DSMHDLQIIJUVHV-JRGCBEDISA-N 1 0 343.515 2.986 20 10 EFCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)C(=O)N1c2ccccc2C[C@H]1C ZINC000825113039 1278414390 /nfs/dbraw/zinc/41/43/90/1278414390.db2.gz YUDQSECCHVLCMM-OLZOCXBDSA-N 1 0 328.387 2.987 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000825111687 1278414749 /nfs/dbraw/zinc/41/47/49/1278414749.db2.gz ONHSPZINQKGKMB-ZIAGYGMSSA-N 1 0 340.423 2.857 20 10 EFCDRO CCN(CC)C(=O)CCC[NH2+]Cc1ccc(Br)cc1O ZINC000825114335 1278416343 /nfs/dbraw/zinc/41/63/43/1278416343.db2.gz PNCKXNBWKAPIER-UHFFFAOYSA-N 1 0 343.265 2.893 20 10 EFCDRO CC(C)OCCOC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000825207016 1278462604 /nfs/dbraw/zinc/46/26/04/1278462604.db2.gz BMQMAZNVQYQTIN-UHFFFAOYSA-N 1 0 337.416 2.527 20 10 EFCDRO CC[NH+]1CCC(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000741085810 1269284980 /nfs/dbraw/zinc/28/49/80/1269284980.db2.gz VVUNJBMVLQDAOC-UHFFFAOYSA-N 1 0 342.487 2.594 20 10 EFCDRO COc1ccc(N2CCCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000741140686 1269347802 /nfs/dbraw/zinc/34/78/02/1269347802.db2.gz VENMQDUGYFLYRN-IAGOWNOFSA-N 1 0 345.487 2.607 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)C2CCC2)ccc1N1CCCCC1 ZINC000825240684 1278483621 /nfs/dbraw/zinc/48/36/21/1278483621.db2.gz QVTNZUFUWRFIBY-GOSISDBHSA-N 1 0 333.432 2.836 20 10 EFCDRO CN(C[C@H]1CC[N@@H+]1CCC1CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994213 1269449077 /nfs/dbraw/zinc/44/90/77/1269449077.db2.gz GARTXVCMFMNCEH-MRXNPFEDSA-N 1 0 343.431 2.795 20 10 EFCDRO C[C@@H](F)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994778 1269450906 /nfs/dbraw/zinc/45/09/06/1269450906.db2.gz UQKOQPHHVOLUMU-DOMZBBRYSA-N 1 0 349.410 2.743 20 10 EFCDRO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000825278468 1278492953 /nfs/dbraw/zinc/49/29/53/1278492953.db2.gz CPYLLNPKBYIQLJ-INIZCTEOSA-N 1 0 327.428 2.781 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C3=COCCC3)C2)cc1C ZINC001086042936 1269663347 /nfs/dbraw/zinc/66/33/47/1269663347.db2.gz FCOFCRCTBITKDJ-MAEOIBBWSA-N 1 0 344.455 2.682 20 10 EFCDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000741725408 1269667429 /nfs/dbraw/zinc/66/74/29/1269667429.db2.gz UXWAXKBYIMOOFX-CZUORRHYSA-N 1 0 326.444 2.702 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3(F)F)C2)cc1C ZINC001086080656 1269832872 /nfs/dbraw/zinc/83/28/72/1269832872.db2.gz OEWQBCJKLIGSOB-ZNMIVQPWSA-N 1 0 338.398 2.643 20 10 EFCDRO COCCCOC1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000742152116 1269916662 /nfs/dbraw/zinc/91/66/62/1269916662.db2.gz DOSJFYIOPKHVMY-UHFFFAOYSA-N 1 0 330.428 2.958 20 10 EFCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)c1 ZINC000742391498 1270019382 /nfs/dbraw/zinc/01/93/82/1270019382.db2.gz KJTNKFVYXHLXAP-QYZOEREBSA-N 1 0 336.435 2.947 20 10 EFCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)c1 ZINC000742391497 1270019411 /nfs/dbraw/zinc/01/94/11/1270019411.db2.gz KJTNKFVYXHLXAP-QRVBRYPASA-N 1 0 336.435 2.947 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)cc1 ZINC000742391836 1270020308 /nfs/dbraw/zinc/02/03/08/1270020308.db2.gz MNLVZLCSHQKIRY-HMXCVIKNSA-N 1 0 349.478 2.999 20 10 EFCDRO Cc1cc(O)c(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)cc1C ZINC000742372550 1270027709 /nfs/dbraw/zinc/02/77/09/1270027709.db2.gz PNQSGXXAAFUYIV-OAQYLSRUSA-N 1 0 340.467 2.736 20 10 EFCDRO Cc1cccc2oc(CC[NH2+]Cc3cc4c(cc3O)OCO4)nc21 ZINC000742710099 1270175514 /nfs/dbraw/zinc/17/55/14/1270175514.db2.gz IHHNVYMNHLKTLM-UHFFFAOYSA-N 1 0 326.352 2.903 20 10 EFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)cc2)C1 ZINC000825421589 1278546430 /nfs/dbraw/zinc/54/64/30/1278546430.db2.gz DRZXZSCZTAHEQU-FPAYPSAMSA-N 1 0 327.472 2.667 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccncc1 ZINC000743472073 1270597935 /nfs/dbraw/zinc/59/79/35/1270597935.db2.gz JVYLVAABKRGXAC-YJBOKZPZSA-N 1 0 338.455 2.634 20 10 EFCDRO CCC[N@H+](C)CC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000743809399 1270764116 /nfs/dbraw/zinc/76/41/16/1270764116.db2.gz SOEIFUAKBGEJLJ-UHFFFAOYSA-N 1 0 343.265 2.845 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NCCC[NH2+]C3CC3)c2C)cc1 ZINC000843511958 1278586293 /nfs/dbraw/zinc/58/62/93/1278586293.db2.gz CCGYQIIGQQUSPV-UHFFFAOYSA-N 1 0 341.455 2.975 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3ncoc3C)C2)cc1C ZINC001086319644 1270972960 /nfs/dbraw/zinc/97/29/60/1270972960.db2.gz POKZWLOCDLQREZ-WKILWMFISA-N 1 0 343.427 2.598 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3cscn3)C2)cc1C ZINC001086325586 1270995194 /nfs/dbraw/zinc/99/51/94/1270995194.db2.gz WIXAAYAXTNUGCV-SHTZXODSSA-N 1 0 345.468 2.758 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C3CC=CC3)C2)cc1C ZINC001086330071 1271005285 /nfs/dbraw/zinc/00/52/85/1271005285.db2.gz LGYVATURXYJSGR-SAABIXHNSA-N 1 0 328.456 2.954 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CCCCO3)C2)cc1C ZINC001086343824 1271075544 /nfs/dbraw/zinc/07/55/44/1271075544.db2.gz PPPVYGQSLVZZQY-LNLFQRSKSA-N 1 0 346.471 2.557 20 10 EFCDRO COCC1(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)CCCCC1 ZINC001128849987 1271182755 /nfs/dbraw/zinc/18/27/55/1271182755.db2.gz MMUFFRMQTWHBRC-UHFFFAOYSA-N 1 0 348.487 2.806 20 10 EFCDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC000745578841 1271521323 /nfs/dbraw/zinc/52/13/23/1271521323.db2.gz XFFSPBHTJNNBTK-NVXWUHKLSA-N 1 0 330.476 2.569 20 10 EFCDRO C[C@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)[NH+]1CCCCC1 ZINC000745697934 1271567477 /nfs/dbraw/zinc/56/74/77/1271567477.db2.gz RQYXIYLQULUVAK-OAHLLOKOSA-N 1 0 345.487 2.945 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000745821876 1271645994 /nfs/dbraw/zinc/64/59/94/1271645994.db2.gz BXZXVVQGQHEJMJ-KRWDZBQOSA-N 1 0 344.503 2.909 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)c3ccon3)CC2)cc1C ZINC001034600270 1272364419 /nfs/dbraw/zinc/36/44/19/1272364419.db2.gz SNUWLOCQYPKXNH-WKILWMFISA-N 1 0 343.427 2.822 20 10 EFCDRO COc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)c2ccn[nH]2)cc1C ZINC001169310734 1272830515 /nfs/dbraw/zinc/83/05/15/1272830515.db2.gz WNKZUJOZJWFOEG-OAHLLOKOSA-N 1 0 344.459 2.805 20 10 EFCDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2cc3ccccc3cc2O)CO1 ZINC001169350983 1272838961 /nfs/dbraw/zinc/83/89/61/1272838961.db2.gz WQALDHXFMYYJPR-FUHWJXTLSA-N 1 0 329.396 2.746 20 10 EFCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001169445966 1272921726 /nfs/dbraw/zinc/92/17/26/1272921726.db2.gz CEICJNXARNTPCX-MRXNPFEDSA-N 1 0 347.503 2.593 20 10 EFCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC001169449176 1272924162 /nfs/dbraw/zinc/92/41/62/1272924162.db2.gz PFMKSATWLYURJN-LLVKDONJSA-N 1 0 343.265 2.891 20 10 EFCDRO COc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)OC)cc1C ZINC001169497864 1272967448 /nfs/dbraw/zinc/96/74/48/1272967448.db2.gz GOTGFDPFHJCPEB-HOTGVXAUSA-N 1 0 336.476 2.803 20 10 EFCDRO CCOc1ccc(N2CC[NH+]([C@@H](C)CC(=O)N(CC)CC)CC2)cc1 ZINC001169487580 1272978743 /nfs/dbraw/zinc/97/87/43/1272978743.db2.gz UAFGRADKUWQHAN-KRWDZBQOSA-N 1 0 347.503 2.854 20 10 EFCDRO CCC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001034801394 1272997165 /nfs/dbraw/zinc/99/71/65/1272997165.db2.gz QQLYFZQKNMZMSI-HDJSIYSDSA-N 1 0 331.420 2.890 20 10 EFCDRO CC[C@H](OC)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001034876491 1273167047 /nfs/dbraw/zinc/16/70/47/1273167047.db2.gz BADBUFZDTIXAIC-SJORKVTESA-N 1 0 334.460 2.509 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCCO2)cc1C ZINC001034908214 1273192975 /nfs/dbraw/zinc/19/29/75/1273192975.db2.gz GNAVOCPARHEKDV-MJGOQNOKSA-N 1 0 346.471 2.653 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCC2(C1)OCCO2 ZINC001169948680 1273271920 /nfs/dbraw/zinc/27/19/20/1273271920.db2.gz JZSULPVYFNEOHH-IBGZPJMESA-N 1 0 346.471 2.641 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C2(CF)CC2)cc1C ZINC001035047987 1273463592 /nfs/dbraw/zinc/46/35/92/1273463592.db2.gz KBQMAEIOPMINPU-MRXNPFEDSA-N 1 0 334.435 2.834 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2OCC[C@H]2C)cc1C ZINC001035053787 1273472228 /nfs/dbraw/zinc/47/22/28/1273472228.db2.gz MTLAKXAIGBJLRI-BJZITVGISA-N 1 0 346.471 2.509 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2CCC(F)(F)CC2)cc1 ZINC000844162685 1278791609 /nfs/dbraw/zinc/79/16/09/1278791609.db2.gz MDLGRYMPTWUOMD-HNNXBMFYSA-N 1 0 325.403 2.694 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CNc2cccc(Cl)c2)cc1 ZINC000844162659 1278792275 /nfs/dbraw/zinc/79/22/75/1278792275.db2.gz LHUTYZOFPCSUES-QGZVFWFLSA-N 1 0 346.862 2.634 20 10 EFCDRO Cc1cc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000844200892 1278804653 /nfs/dbraw/zinc/80/46/53/1278804653.db2.gz HLAVRMQUQFCZJS-ZQIUZPCESA-N 1 0 340.471 2.935 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H]2CCC[C@H](OC)C2)cc1C ZINC001129149659 1274010642 /nfs/dbraw/zinc/01/06/42/1274010642.db2.gz UFOABIAOCANNQO-WMZOPIPTSA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H]2CCC[C@@H](OC)C2)cc1C ZINC001129149654 1274011203 /nfs/dbraw/zinc/01/12/03/1274011203.db2.gz UFOABIAOCANNQO-SJLPKXTDSA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc3c(o2)CCCC3)cc1C ZINC001129192661 1274192728 /nfs/dbraw/zinc/19/27/28/1274192728.db2.gz XHHASKZZXSHYRU-UHFFFAOYSA-N 1 0 342.439 2.995 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000691469074 1274382086 /nfs/dbraw/zinc/38/20/86/1274382086.db2.gz QDWQSJPPXIBZHL-CQSZACIVSA-N 1 0 344.249 2.830 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cocn3)C[C@H]2C)cc1C ZINC001035955450 1274808878 /nfs/dbraw/zinc/80/88/78/1274808878.db2.gz LYTOMFBLHMXLGD-ZBFHGGJFSA-N 1 0 343.427 2.632 20 10 EFCDRO Oc1cccc(Br)c1C[NH2+]CCOCC(F)(F)F ZINC000706863497 1275059723 /nfs/dbraw/zinc/05/97/23/1275059723.db2.gz IYTPCNJFAGNMJB-UHFFFAOYSA-N 1 0 328.128 2.823 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cnco3)C[C@@H]2C)cc1C ZINC001036127088 1275133334 /nfs/dbraw/zinc/13/33/34/1275133334.db2.gz RVPKPBOWTOHRBX-HOCLYGCPSA-N 1 0 343.427 2.632 20 10 EFCDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cccc(O)c1O)[NH+](C)C ZINC000785857092 1275217523 /nfs/dbraw/zinc/21/75/23/1275217523.db2.gz OCWXCHNEUPBWQL-SUMWQHHRSA-N 1 0 328.412 2.827 20 10 EFCDRO CN(Cc1c(O)cccc1Br)C[C@H]1CCC[N@H+](C)C1 ZINC000707129996 1275337154 /nfs/dbraw/zinc/33/71/54/1275337154.db2.gz XAXXROJDGQIVRL-LBPRGKRZSA-N 1 0 327.266 2.928 20 10 EFCDRO C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1[NH2+]CC1CC1 ZINC001036310435 1275397001 /nfs/dbraw/zinc/39/70/01/1275397001.db2.gz XLDFVNHLUVFITH-LRDDRELGSA-N 1 0 343.431 2.699 20 10 EFCDRO C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1[NH2+]CC1CC1 ZINC001036310434 1275397333 /nfs/dbraw/zinc/39/73/33/1275397333.db2.gz XLDFVNHLUVFITH-BLLLJJGKSA-N 1 0 343.431 2.699 20 10 EFCDRO CC(C)[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001036308597 1275430331 /nfs/dbraw/zinc/43/03/31/1275430331.db2.gz SMFAWBLQKRVYNV-DOMZBBRYSA-N 1 0 331.420 2.698 20 10 EFCDRO CC(C)[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001036308600 1275430434 /nfs/dbraw/zinc/43/04/34/1275430434.db2.gz SMFAWBLQKRVYNV-IUODEOHRSA-N 1 0 331.420 2.698 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)C(F)F)C2)cc1C ZINC001036338140 1275465714 /nfs/dbraw/zinc/46/57/14/1275465714.db2.gz KDKNUCOUVBVDOX-DZGCQCFKSA-N 1 0 340.414 2.985 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)C(F)F)C2)cc1C ZINC001036338142 1275466162 /nfs/dbraw/zinc/46/61/62/1275466162.db2.gz KDKNUCOUVBVDOX-UKRRQHHQSA-N 1 0 340.414 2.985 20 10 EFCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1C ZINC000786828463 1275535384 /nfs/dbraw/zinc/53/53/84/1275535384.db2.gz RXCIIRFJJQOOHR-UHFFFAOYSA-N 1 0 325.455 2.764 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3c[nH]cc3C)C2)cc1C ZINC001086551090 1275710395 /nfs/dbraw/zinc/71/03/95/1275710395.db2.gz IOCRKUYUNAFJDP-QAQDUYKDSA-N 1 0 341.455 2.938 20 10 EFCDRO CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001036470390 1275715027 /nfs/dbraw/zinc/71/50/27/1275715027.db2.gz DMMBSYODWRFRGE-TZMCWYRMSA-N 1 0 331.420 2.699 20 10 EFCDRO CC(C)[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccnn1C ZINC000788076936 1276030929 /nfs/dbraw/zinc/03/09/29/1276030929.db2.gz QDAHJMWCUOUCNT-LJQANCHMSA-N 1 0 342.487 2.786 20 10 EFCDRO CC(C)[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccnn1C ZINC000788076935 1276031046 /nfs/dbraw/zinc/03/10/46/1276031046.db2.gz QDAHJMWCUOUCNT-IBGZPJMESA-N 1 0 342.487 2.786 20 10 EFCDRO COc1ccc(O)c(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC000788299083 1276118032 /nfs/dbraw/zinc/11/80/32/1276118032.db2.gz OLMOAEPZACNCAN-QGZVFWFLSA-N 1 0 332.444 2.814 20 10 EFCDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(O)c2O)c([N+](=O)[O-])c1 ZINC001170315440 1279009933 /nfs/dbraw/zinc/00/99/33/1279009933.db2.gz XRVSPNBESWFZHD-LLVKDONJSA-N 1 0 332.356 2.735 20 10 EFCDRO C[C@@H](O)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000788604284 1276238049 /nfs/dbraw/zinc/23/80/49/1276238049.db2.gz JOQAXKSEBKDLLH-ZIAGYGMSSA-N 1 0 326.868 2.988 20 10 EFCDRO C[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000817888167 1276346883 /nfs/dbraw/zinc/34/68/83/1276346883.db2.gz JDYCIMBZOOKJDQ-KRXQYRFLSA-N 1 0 335.467 2.669 20 10 EFCDRO C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000817888161 1276346939 /nfs/dbraw/zinc/34/69/39/1276346939.db2.gz JDYCIMBZOOKJDQ-ADAWSYLGSA-N 1 0 335.467 2.669 20 10 EFCDRO [NH3+][C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC000817888800 1276348280 /nfs/dbraw/zinc/34/82/80/1276348280.db2.gz OSCXYXLKCMMQGO-RTBURBONSA-N 1 0 341.430 2.897 20 10 EFCDRO C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000817893126 1276362791 /nfs/dbraw/zinc/36/27/91/1276362791.db2.gz FCDNWFBJKRTKKC-OXQOHEQNSA-N 1 0 331.504 2.516 20 10 EFCDRO CCC[N@H+](CC)CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000746770428 1276376600 /nfs/dbraw/zinc/37/66/00/1276376600.db2.gz NQMQIUFYNRPCKC-UHFFFAOYSA-N 1 0 333.476 2.802 20 10 EFCDRO C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817935112 1276380594 /nfs/dbraw/zinc/38/05/94/1276380594.db2.gz GTFBVVUMCOZBJM-NSHDSACASA-N 1 0 332.275 2.645 20 10 EFCDRO C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc(Br)c(F)cc1[O-] ZINC000817940136 1276386060 /nfs/dbraw/zinc/38/60/60/1276386060.db2.gz FRFPCFVGROWRPW-VIFPVBQESA-N 1 0 331.229 2.944 20 10 EFCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc2c(c1)OCO2 ZINC000817939142 1276386210 /nfs/dbraw/zinc/38/62/10/1276386210.db2.gz ZNJDKUFQNFOZCL-GUYCJALGSA-N 1 0 327.428 2.832 20 10 EFCDRO COC(=O)c1csc([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817943269 1276389430 /nfs/dbraw/zinc/38/94/30/1276389430.db2.gz SZFIGBJEZXBQAR-WBMJQRKESA-N 1 0 347.484 2.951 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817944154 1276390946 /nfs/dbraw/zinc/39/09/46/1276390946.db2.gz XTPXEZXUBKYMRJ-YVEFUNNKSA-N 1 0 343.431 2.594 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)c1 ZINC000817949488 1276396646 /nfs/dbraw/zinc/39/66/46/1276396646.db2.gz QNDODSPSVRATNG-ZDUSSCGKSA-N 1 0 328.412 2.531 20 10 EFCDRO C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(Br)cc(F)c1[O-] ZINC000817954799 1276398099 /nfs/dbraw/zinc/39/80/99/1276398099.db2.gz KDZHAGCAXHOVSJ-UWVGGRQHSA-N 1 0 331.229 2.944 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000817929969 1276404301 /nfs/dbraw/zinc/40/43/01/1276404301.db2.gz WWXHCIYUUCLJPS-KRWDZBQOSA-N 1 0 342.443 2.566 20 10 EFCDRO COc1ccc(N2CCN(C(=O)c3ccc([C@@H](C)[NH3+])cc3)CC2)cc1 ZINC000817995883 1276405292 /nfs/dbraw/zinc/40/52/92/1276405292.db2.gz FOCQSGCQTRBQRI-OAHLLOKOSA-N 1 0 339.439 2.677 20 10 EFCDRO C[NH2+]CCc1ccccc1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000817997339 1276407009 /nfs/dbraw/zinc/40/70/09/1276407009.db2.gz ZRLVIVCVOLEJRI-CYBMUJFWSA-N 1 0 328.412 2.654 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]CCOC(F)(F)F)c1O ZINC000788966522 1276416392 /nfs/dbraw/zinc/41/63/92/1276416392.db2.gz ORBFCXXBIWZKEH-UHFFFAOYSA-N 1 0 344.127 2.789 20 10 EFCDRO C[C@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(N2CCOCC2)cc1Cl ZINC000817976403 1276417021 /nfs/dbraw/zinc/41/70/21/1276417021.db2.gz LHCUYQMIYUGJDA-IHRRRGAJSA-N 1 0 341.858 2.527 20 10 EFCDRO CCOC1CC(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000788970843 1276419972 /nfs/dbraw/zinc/41/99/72/1276419972.db2.gz WPCQXGDVBZRLFN-UHFFFAOYSA-N 1 0 336.451 2.957 20 10 EFCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CNCCO1 ZINC000817983058 1276421188 /nfs/dbraw/zinc/42/11/88/1276421188.db2.gz JTDQRJCTFJUWBA-IEBWSBKVSA-N 1 0 326.440 2.644 20 10 EFCDRO C[C@@H]([NH2+]CCOC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000788981476 1276450525 /nfs/dbraw/zinc/45/05/25/1276450525.db2.gz QTCVJTWJWVDMFE-LLVKDONJSA-N 1 0 336.329 2.849 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnc4ccccn34)C2)cc1 ZINC000818219470 1276493705 /nfs/dbraw/zinc/49/37/05/1276493705.db2.gz GYLGWSGQOPLKNN-INIZCTEOSA-N 1 0 336.439 2.959 20 10 EFCDRO CCc1ncc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000818222820 1276493776 /nfs/dbraw/zinc/49/37/76/1276493776.db2.gz WPVXAGPDBDVRLI-HNNXBMFYSA-N 1 0 326.444 2.664 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnn4ccccc34)C2)cc1 ZINC000818219416 1276493810 /nfs/dbraw/zinc/49/38/10/1276493810.db2.gz FJMJTBHAEGGMRT-INIZCTEOSA-N 1 0 336.439 2.959 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)Cc3cnccn3)C2)cc1 ZINC000818342329 1276509785 /nfs/dbraw/zinc/50/97/85/1276509785.db2.gz PBNRFYHRCBXHNG-JKSUJKDBSA-N 1 0 326.444 2.532 20 10 EFCDRO COC(=O)C1CCC([NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000818341636 1276510272 /nfs/dbraw/zinc/51/02/72/1276510272.db2.gz CGKFMAXROKAJGX-KLAILNCOSA-N 1 0 346.471 2.843 20 10 EFCDRO Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000818635392 1276542277 /nfs/dbraw/zinc/54/22/77/1276542277.db2.gz YLYYPNUAVBEKCC-GFCCVEGCSA-N 1 0 329.400 2.618 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000818607849 1276545790 /nfs/dbraw/zinc/54/57/90/1276545790.db2.gz GCJKDPKPQWVFNU-MRXNPFEDSA-N 1 0 335.517 2.585 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)CC(F)(F)F ZINC000818963959 1276552315 /nfs/dbraw/zinc/55/23/15/1276552315.db2.gz GUZBVOBRLYVHQX-AWEZNQCLSA-N 1 0 334.407 2.643 20 10 EFCDRO CCc1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000818941065 1276553713 /nfs/dbraw/zinc/55/37/13/1276553713.db2.gz CHQBWXALRSYEKB-IBGZPJMESA-N 1 0 328.456 2.845 20 10 EFCDRO CCOc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000818941503 1276553817 /nfs/dbraw/zinc/55/38/17/1276553817.db2.gz KWOSMURWWRWANM-GOSISDBHSA-N 1 0 344.455 2.681 20 10 EFCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)S(C)(=O)=O ZINC000818980810 1276562294 /nfs/dbraw/zinc/56/22/94/1276562294.db2.gz OHISYJODVHDKQY-HNNXBMFYSA-N 1 0 338.517 2.978 20 10 EFCDRO Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)c(C)c1 ZINC000818996573 1276566369 /nfs/dbraw/zinc/56/63/69/1276566369.db2.gz IOUXFJSNKFRIHC-GOSISDBHSA-N 1 0 327.424 2.768 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)COc1ccccc1Cl ZINC000818997000 1276566764 /nfs/dbraw/zinc/56/67/64/1276566764.db2.gz PEYPGMARELJXSQ-HNNXBMFYSA-N 1 0 333.815 2.804 20 10 EFCDRO C[C@@H]1CN(c2ccc(C[NH2+]CC3(O)CCCC3)cc2F)C[C@H](C)O1 ZINC000818967055 1276573003 /nfs/dbraw/zinc/57/30/03/1276573003.db2.gz QYTXZKJDKGJLFQ-GASCZTMLSA-N 1 0 336.451 2.834 20 10 EFCDRO O=S(=O)(CC[NH2+]Cc1ccc(N2CC=CC2)cc1)c1ccccc1 ZINC000819094663 1276604749 /nfs/dbraw/zinc/60/47/49/1276604749.db2.gz JYAHEVXHPHTUAA-UHFFFAOYSA-N 1 0 342.464 2.626 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)c3cccc(F)c3)C2)cc1 ZINC000819381216 1276763411 /nfs/dbraw/zinc/76/34/11/1276763411.db2.gz VWZAEUSIWDURFV-YWZLYKJASA-N 1 0 344.430 2.984 20 10 EFCDRO C[C@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000789557960 1276843543 /nfs/dbraw/zinc/84/35/43/1276843543.db2.gz PXOLKIXIFDQIAF-GOSISDBHSA-N 1 0 333.432 2.932 20 10 EFCDRO CCc1ccc([C@@H](CNC(=O)c2c(F)ccc(O)c2O)[NH+](C)C)cc1 ZINC000789946255 1277112615 /nfs/dbraw/zinc/11/26/15/1277112615.db2.gz BWWVMFIYQVIFDH-OAHLLOKOSA-N 1 0 346.402 2.832 20 10 EFCDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000789966542 1277127517 /nfs/dbraw/zinc/12/75/17/1277127517.db2.gz HURMAXNLONVWCV-TXEJJXNPSA-N 1 0 338.423 2.723 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CC2(CCOCC2)O1 ZINC000790394426 1277499232 /nfs/dbraw/zinc/49/92/32/1277499232.db2.gz OBETZDZYYJQIOI-CQSZACIVSA-N 1 0 328.412 2.710 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000790538972 1277612257 /nfs/dbraw/zinc/61/22/57/1277612257.db2.gz MHUFRYBZTWNZCY-CXAGYDPISA-N 1 0 349.475 2.881 20 10 EFCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n(C)n1 ZINC000790602856 1277674530 /nfs/dbraw/zinc/67/45/30/1277674530.db2.gz WJWBFVBQOKZQJH-UHFFFAOYSA-N 1 0 343.431 2.917 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cc(F)ncc3F)C2)cc1 ZINC000822494591 1289014221 /nfs/dbraw/zinc/01/42/21/1289014221.db2.gz RSTIDYQBGBEQAV-CYBMUJFWSA-N 1 0 333.382 2.985 20 10 EFCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000815112681 1287310554 /nfs/dbraw/zinc/31/05/54/1287310554.db2.gz YDRQSBFDHSOEQM-LJQANCHMSA-N 1 0 331.504 2.687 20 10 EFCDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(N(C)C)c(C)c3)[C@@H]2C1 ZINC000815119656 1287314540 /nfs/dbraw/zinc/31/45/40/1287314540.db2.gz CHOXQAFQSGUUQD-IPMKNSEASA-N 1 0 329.488 2.798 20 10 EFCDRO C[C@H]([NH2+]Cc1cnn(C)c1Cl)c1ccc(N2CCOCC2)cc1 ZINC000815119157 1287314638 /nfs/dbraw/zinc/31/46/38/1287314638.db2.gz QKHBDSTYSLOPTN-ZDUSSCGKSA-N 1 0 334.851 2.761 20 10 EFCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000791137822 1277970974 /nfs/dbraw/zinc/97/09/74/1277970974.db2.gz JAQLRUPWRKSSSD-AWEZNQCLSA-N 1 0 334.460 2.800 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@H]3CCCCO3)C2)cc1C ZINC001090986133 1279116471 /nfs/dbraw/zinc/11/64/71/1279116471.db2.gz PPPVYGQSLVZZQY-FAFZWHIHSA-N 1 0 346.471 2.557 20 10 EFCDRO CC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001134872393 1287327397 /nfs/dbraw/zinc/32/73/97/1287327397.db2.gz KGYVXIYJECKVJW-AZJURWTESA-N 1 0 349.475 2.942 20 10 EFCDRO CC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001134872395 1287327674 /nfs/dbraw/zinc/32/76/74/1287327674.db2.gz KGYVXIYJECKVJW-PEGRTIRESA-N 1 0 349.475 2.942 20 10 EFCDRO CCCC[N@H+](CC(N)=O)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792789363 1279152497 /nfs/dbraw/zinc/15/24/97/1279152497.db2.gz YYAXKQOBJMRSBQ-UHFFFAOYSA-N 1 0 331.382 2.859 20 10 EFCDRO COC(=O)C(C)(C)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000792768204 1279164158 /nfs/dbraw/zinc/16/41/58/1279164158.db2.gz XYZLDYYYDZGWEE-MRXNPFEDSA-N 1 0 335.444 2.963 20 10 EFCDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815108540 1287329245 /nfs/dbraw/zinc/32/92/45/1287329245.db2.gz ZOJTZNCXAYIHNN-FQEVSTJZSA-N 1 0 348.487 2.853 20 10 EFCDRO COCC[NH+]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792777823 1279171534 /nfs/dbraw/zinc/17/15/34/1279171534.db2.gz KLSZFCJKGLHIKX-UHFFFAOYSA-N 1 0 345.409 2.535 20 10 EFCDRO COc1ccc(CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c(O)c1 ZINC000792830145 1279188542 /nfs/dbraw/zinc/18/85/42/1279188542.db2.gz DWWYLKVJADITTR-OAHLLOKOSA-N 1 0 349.475 2.855 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000792863060 1279199093 /nfs/dbraw/zinc/19/90/93/1279199093.db2.gz RFSMAFRDTVWSDI-KRWDZBQOSA-N 1 0 338.517 2.789 20 10 EFCDRO CC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1O)C(C)(C)O ZINC000815155806 1287334039 /nfs/dbraw/zinc/33/40/39/1287334039.db2.gz XRFOWILGMCITDL-GFCCVEGCSA-N 1 0 332.238 2.802 20 10 EFCDRO COC(=O)C(C)(C)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000792943598 1279267547 /nfs/dbraw/zinc/26/75/47/1279267547.db2.gz UZQLIGGAMZONFG-HNNXBMFYSA-N 1 0 334.460 2.763 20 10 EFCDRO C[C@@H]1CN(CC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000792967858 1279311467 /nfs/dbraw/zinc/31/14/67/1279311467.db2.gz CXNXDQQBVXFVPE-CYBMUJFWSA-N 1 0 345.409 2.582 20 10 EFCDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792992997 1279318332 /nfs/dbraw/zinc/31/83/32/1279318332.db2.gz QYDGEEVPZNRYGV-YGRLFVJLSA-N 1 0 336.423 2.973 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)c(C(F)(F)F)c1 ZINC000793047331 1279340670 /nfs/dbraw/zinc/34/06/70/1279340670.db2.gz JVQFLTLCSADFGQ-LBPRGKRZSA-N 1 0 341.377 2.624 20 10 EFCDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844953109 1279375492 /nfs/dbraw/zinc/37/54/92/1279375492.db2.gz JYGSHGCPMHWCOS-CYBMUJFWSA-N 1 0 339.867 2.965 20 10 EFCDRO C[C@H](NC(=O)NCc1cc(Cl)ccc1O)C(C)(C)C[NH+](C)C ZINC000845029738 1279405160 /nfs/dbraw/zinc/40/51/60/1279405160.db2.gz ORCIGTOVSXSBDZ-NSHDSACASA-N 1 0 327.856 2.821 20 10 EFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1cc(Cl)ccc1O ZINC000845045365 1279412681 /nfs/dbraw/zinc/41/26/81/1279412681.db2.gz STNVYEWSWHMUNA-CQSZACIVSA-N 1 0 325.840 2.719 20 10 EFCDRO CCOC1CC(O)(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793185658 1279429884 /nfs/dbraw/zinc/42/98/84/1279429884.db2.gz KZNDPHMRUIFHSV-UHFFFAOYSA-N 1 0 346.393 2.791 20 10 EFCDRO C[C@H](NC(=O)N(C)CC[NH+]1CCCCC1)c1ccc(N(C)C)cc1 ZINC000845126240 1279452699 /nfs/dbraw/zinc/45/26/99/1279452699.db2.gz YUJIJYCYAAUWRZ-INIZCTEOSA-N 1 0 332.492 2.941 20 10 EFCDRO Cc1cc(Br)c(O)c(CN(C)CC[NH+]2CCCC2)c1 ZINC000809737431 1287348545 /nfs/dbraw/zinc/34/85/45/1287348545.db2.gz HOCVCFOGVCGRGX-UHFFFAOYSA-N 1 0 327.266 2.991 20 10 EFCDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000845199333 1279490740 /nfs/dbraw/zinc/49/07/40/1279490740.db2.gz CEPHRSAXTORLNR-LBPRGKRZSA-N 1 0 327.856 2.965 20 10 EFCDRO COc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(OC)cc2O)c1 ZINC000793386372 1279613859 /nfs/dbraw/zinc/61/38/59/1279613859.db2.gz NZIMADSRSFDLRI-ZDUSSCGKSA-N 1 0 344.411 2.916 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)OCC(C)C)CC2)c(O)c1 ZINC000793387446 1279613923 /nfs/dbraw/zinc/61/39/23/1279613923.db2.gz DQPJEYRJXJTRBG-UHFFFAOYSA-N 1 0 336.432 2.747 20 10 EFCDRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC)cc2O)C1 ZINC000793388566 1279615347 /nfs/dbraw/zinc/61/53/47/1279615347.db2.gz PSJFSBFGKOJVLD-OLZOCXBDSA-N 1 0 343.370 2.858 20 10 EFCDRO Cc1ccc(N2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)cc1C ZINC001144500693 1279741390 /nfs/dbraw/zinc/74/13/90/1279741390.db2.gz ZGGRRNAAEMFGJG-UHFFFAOYSA-N 1 0 328.412 2.742 20 10 EFCDRO C[N@H+](Cc1ncccc1C(F)(F)F)Cc1c(O)cc(O)cc1O ZINC001144504056 1279748012 /nfs/dbraw/zinc/74/80/12/1279748012.db2.gz KCDAGAUJYMUVNP-UHFFFAOYSA-N 1 0 328.290 2.849 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3cnc4n3CCCC4)CC2)cc1 ZINC000793564817 1279751230 /nfs/dbraw/zinc/75/12/30/1279751230.db2.gz NMACJBOXSTVPGP-UHFFFAOYSA-N 1 0 340.471 2.987 20 10 EFCDRO C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144520570 1279764365 /nfs/dbraw/zinc/76/43/65/1279764365.db2.gz VBLYGSQROHRKMO-ZDUSSCGKSA-N 1 0 346.402 2.821 20 10 EFCDRO Cc1cccc(N2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)c1C ZINC001144514761 1279774003 /nfs/dbraw/zinc/77/40/03/1279774003.db2.gz REZOJZKPNQWGAA-UHFFFAOYSA-N 1 0 328.412 2.742 20 10 EFCDRO COc1ccccc1[C@H](O)C[N@H+](Cc1c(O)cc(O)cc1O)C(C)C ZINC001144514670 1279774013 /nfs/dbraw/zinc/77/40/13/1279774013.db2.gz ODBMVIOTDJWXTB-GOSISDBHSA-N 1 0 347.411 2.756 20 10 EFCDRO C[C@@H](c1ccccc1)N1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144514567 1279774932 /nfs/dbraw/zinc/77/49/32/1279774932.db2.gz KXKBPINPVIUQAZ-AWEZNQCLSA-N 1 0 328.412 2.682 20 10 EFCDRO C[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1c(O)cc(O)cc1O ZINC001144515466 1279777704 /nfs/dbraw/zinc/77/77/04/1279777704.db2.gz PNRVKHQUIHBYAG-UHFFFAOYSA-N 1 0 325.368 2.621 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c(O)c1 ZINC001144516398 1279779011 /nfs/dbraw/zinc/77/90/11/1279779011.db2.gz XPZMNUGPBVGVSQ-YJBOKZPZSA-N 1 0 340.423 2.510 20 10 EFCDRO O=C1CC2(CC[NH+](Cc3c(O)cc(O)cc3O)CC2)c2ccccc21 ZINC001144516434 1279779508 /nfs/dbraw/zinc/77/95/08/1279779508.db2.gz YGSHODSEHCVRDN-UHFFFAOYSA-N 1 0 339.391 2.924 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000793619592 1279780293 /nfs/dbraw/zinc/78/02/93/1279780293.db2.gz IDAYWWRIAYOARS-KRWDZBQOSA-N 1 0 326.440 2.760 20 10 EFCDRO Cc1cc(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000793700949 1279832590 /nfs/dbraw/zinc/83/25/90/1279832590.db2.gz BKECVABILBBNGY-CQSZACIVSA-N 1 0 339.501 2.865 20 10 EFCDRO CS(=O)(=O)CC1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000793734273 1279850413 /nfs/dbraw/zinc/85/04/13/1279850413.db2.gz UHXMPYUSOXXUJJ-UHFFFAOYSA-N 1 0 337.485 2.528 20 10 EFCDRO C[C@@H]1CCN(C(=O)c2csc(-c3ccc(N(C)C)cc3)n2)C[C@@H]1[NH3+] ZINC001157815552 1279905224 /nfs/dbraw/zinc/90/52/24/1279905224.db2.gz HPDLWGKEUKLZOO-DOMZBBRYSA-N 1 0 344.484 2.685 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(C)nc3sc(C)nn23)c1 ZINC000845971824 1279948299 /nfs/dbraw/zinc/94/82/99/1279948299.db2.gz NEQXORVEBRSYHU-VIFPVBQESA-N 1 0 332.429 2.973 20 10 EFCDRO CCN1C[C@H](C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1=O ZINC000846090962 1280013434 /nfs/dbraw/zinc/01/34/34/1280013434.db2.gz GRYJFRQYIOMKHG-LBPRGKRZSA-N 1 0 343.393 2.729 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CC[C@@]2(O)CCCOC2)c(C(F)(F)F)c1 ZINC000846106622 1280035920 /nfs/dbraw/zinc/03/59/20/1280035920.db2.gz GWOBWKZFIDLQBJ-INIZCTEOSA-N 1 0 346.393 2.793 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c1O ZINC000846150544 1280038385 /nfs/dbraw/zinc/03/83/85/1280038385.db2.gz RGGDBIVTJHUBCP-ZFWWWQNUSA-N 1 0 332.444 2.843 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c1O ZINC000846153787 1280039614 /nfs/dbraw/zinc/03/96/14/1280039614.db2.gz KSCMLAGJIUVXKZ-LBPRGKRZSA-N 1 0 347.436 2.581 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)c1O ZINC000846158235 1280042390 /nfs/dbraw/zinc/04/23/90/1280042390.db2.gz VKJOHMSGCSOXNL-GFCCVEGCSA-N 1 0 336.432 2.918 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c1O ZINC000846173933 1280048201 /nfs/dbraw/zinc/04/82/01/1280048201.db2.gz UUJLLBXQSXXBPY-GJZGRUSLSA-N 1 0 347.459 2.732 20 10 EFCDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCc1ccc(N3CCCC3)cc1)C2 ZINC000846135976 1280048513 /nfs/dbraw/zinc/04/85/13/1280048513.db2.gz FETGGICRQSJIDA-PXNSSMCTSA-N 1 0 342.487 2.557 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)c1O ZINC000846140857 1280049978 /nfs/dbraw/zinc/04/99/78/1280049978.db2.gz HBNALUHVJNTOKI-AWEZNQCLSA-N 1 0 328.412 2.710 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CCNC(=O)c2ccc(C)cc2)c1O ZINC000846147077 1280051645 /nfs/dbraw/zinc/05/16/45/1280051645.db2.gz VLHREALMHOYWHB-AWEZNQCLSA-N 1 0 328.412 2.790 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c1O ZINC000846145505 1280051990 /nfs/dbraw/zinc/05/19/90/1280051990.db2.gz OELFYEURQFJCCZ-GDBMZVCRSA-N 1 0 334.460 2.695 20 10 EFCDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846144763 1280052223 /nfs/dbraw/zinc/05/22/23/1280052223.db2.gz LXXURYXVAGIDLO-PXAZEXFGSA-N 1 0 347.411 2.802 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)COc2cccc(C)c2)c1O ZINC000846143137 1280052387 /nfs/dbraw/zinc/05/23/87/1280052387.db2.gz HZPUTTIQBQURSA-GJZGRUSLSA-N 1 0 331.412 2.800 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CCNC(=O)c2ccccc2F)c1O ZINC000846144177 1280052562 /nfs/dbraw/zinc/05/25/62/1280052562.db2.gz LGUPMZVNPLTNGI-LBPRGKRZSA-N 1 0 332.375 2.621 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c1O ZINC000846147718 1280053004 /nfs/dbraw/zinc/05/30/04/1280053004.db2.gz XXYDAHBDFBELIN-CYBMUJFWSA-N 1 0 349.452 2.796 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c1O ZINC000846146659 1280053401 /nfs/dbraw/zinc/05/34/01/1280053401.db2.gz SUAQHFYWRARMEW-UONOGXRCSA-N 1 0 326.396 2.857 20 10 EFCDRO CCN1C[C@H](C[NH2+][C@H](C)c2cc(Br)ccc2O)CC1=O ZINC000846208360 1280055687 /nfs/dbraw/zinc/05/56/87/1280055687.db2.gz IYKOHQPEEYOTEF-MNOVXSKESA-N 1 0 341.249 2.674 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(C[NH3+])cc2F)c1 ZINC000846201666 1280069653 /nfs/dbraw/zinc/06/96/53/1280069653.db2.gz QHYMFRLWFNKRKB-LLVKDONJSA-N 1 0 347.390 2.559 20 10 EFCDRO C[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1cc(Br)ccc1O ZINC000846214926 1280071222 /nfs/dbraw/zinc/07/12/22/1280071222.db2.gz OKTMOISRNVLJOD-XHDPSFHLSA-N 1 0 344.249 2.737 20 10 EFCDRO COc1ccc(N2CC[NH+](CCN3CCc4ccccc43)CC2)cc1 ZINC000794261377 1280123721 /nfs/dbraw/zinc/12/37/21/1280123721.db2.gz NQMGEEUXJVWNPP-UHFFFAOYSA-N 1 0 337.467 2.880 20 10 EFCDRO CC[N@H+](C)[C@@H](C(=O)NCc1ccc(OC)cc1O)c1ccccc1 ZINC000794373144 1280157859 /nfs/dbraw/zinc/15/78/59/1280157859.db2.gz HSJBADJGDPQVPR-GOSISDBHSA-N 1 0 328.412 2.710 20 10 EFCDRO COc1ccc(CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)c(O)c1 ZINC000794381126 1280161594 /nfs/dbraw/zinc/16/15/94/1280161594.db2.gz LJHDYEMLWCYAKP-UHFFFAOYSA-N 1 0 349.390 2.891 20 10 EFCDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(OC)cc2O)o1 ZINC000794379887 1280161714 /nfs/dbraw/zinc/16/17/14/1280161714.db2.gz ZIODQBZGCMHZOG-UHFFFAOYSA-N 1 0 332.400 2.766 20 10 EFCDRO COc1ccc(N(C)CCN(C)C(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC000846447649 1280169172 /nfs/dbraw/zinc/16/91/72/1280169172.db2.gz TUQSBXNTUNYLQX-UHFFFAOYSA-N 1 0 347.503 2.710 20 10 EFCDRO CC[C@H](C(=O)NCc1cc(Cl)ccc1O)N1CCO[C@@H](CC)C1 ZINC000846475726 1280191233 /nfs/dbraw/zinc/19/12/33/1280191233.db2.gz GSJXCKULTSVDAO-LSDHHAIUSA-N 1 0 340.851 2.551 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCc3ccccc3C2)cc1 ZINC000846663668 1280380840 /nfs/dbraw/zinc/38/08/40/1280380840.db2.gz LGSLJKIIOTYBHA-UYAOXDASSA-N 1 0 337.467 2.674 20 10 EFCDRO Cc1ccc2cc(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)[nH]c2c1 ZINC000846663155 1280407381 /nfs/dbraw/zinc/40/73/81/1280407381.db2.gz DRLVXTBNVQJACB-KRWDZBQOSA-N 1 0 336.439 2.972 20 10 EFCDRO COc1ccc(N(C)CCN(C)C(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000846696265 1280425884 /nfs/dbraw/zinc/42/58/84/1280425884.db2.gz DLQYNEJFPVESKN-MRXNPFEDSA-N 1 0 347.503 2.616 20 10 EFCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H]([NH3+])c2ccccc2C)cc1 ZINC000846695815 1280427109 /nfs/dbraw/zinc/42/71/09/1280427109.db2.gz ATRUVAMKXLGNHQ-LJQANCHMSA-N 1 0 341.455 2.598 20 10 EFCDRO Cc1ccc2c(c1)N[C@H](c1ccc(N3CC[NH+](C)CC3)cc1)NC2=O ZINC000846759053 1280455117 /nfs/dbraw/zinc/45/51/17/1280455117.db2.gz GYRZBCJXPJEXQF-IBGZPJMESA-N 1 0 336.439 2.601 20 10 EFCDRO Cc1cc(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)ccc1N(C)C ZINC000846928665 1280622859 /nfs/dbraw/zinc/62/28/59/1280622859.db2.gz HFLGYOXLGBYCEL-SFHVURJKSA-N 1 0 329.488 2.798 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000806127871 1280985150 /nfs/dbraw/zinc/98/51/50/1280985150.db2.gz KYFKLRQDMIXFLT-LEWJYISDSA-N 1 0 343.515 2.986 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000806127873 1280985840 /nfs/dbraw/zinc/98/58/40/1280985840.db2.gz KYFKLRQDMIXFLT-RTWAWAEBSA-N 1 0 343.515 2.986 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2[nH]cnc2C)cc1C ZINC001146830319 1281055212 /nfs/dbraw/zinc/05/52/12/1281055212.db2.gz LMUOZVNFFOBXKN-ZIAGYGMSSA-N 1 0 344.459 2.722 20 10 EFCDRO C[NH+]1CCN(c2ccc(C=Cc3cc(=O)[nH]c(C4CC4)n3)cc2)CC1 ZINC000806564197 1281096759 /nfs/dbraw/zinc/09/67/59/1281096759.db2.gz LVTMOYJYPDGIIJ-FARCUNLSSA-N 1 0 336.439 2.982 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)COC2CCCCC2)cc1C ZINC001130685910 1281103412 /nfs/dbraw/zinc/10/34/12/1281103412.db2.gz PURHVJUTQCQRSX-UHFFFAOYSA-N 1 0 334.460 2.559 20 10 EFCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807141894 1281224648 /nfs/dbraw/zinc/22/46/48/1281224648.db2.gz WXQULWSXLHTBIR-YJBOKZPZSA-N 1 0 332.492 2.987 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(C)c(OC)c2)cc1C ZINC001131035080 1281395983 /nfs/dbraw/zinc/39/59/83/1281395983.db2.gz JUAZRHAFGSCWJJ-UHFFFAOYSA-N 1 0 342.439 2.840 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H](C)c2ccco2)cc1C ZINC001148107158 1281412060 /nfs/dbraw/zinc/41/20/60/1281412060.db2.gz LZJYHLPHKYEMHQ-OAHLLOKOSA-N 1 0 330.428 2.996 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc(Cl)cn2C)cc1C ZINC001131068455 1281438651 /nfs/dbraw/zinc/43/86/51/1281438651.db2.gz GDUBHYFTSOEOID-UHFFFAOYSA-N 1 0 335.835 2.515 20 10 EFCDRO NC(=O)C[C@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000808228650 1281598565 /nfs/dbraw/zinc/59/85/65/1281598565.db2.gz KBJWHOVEWHSWNO-GFCCVEGCSA-N 1 0 328.412 2.715 20 10 EFCDRO Cn1cnc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000808390551 1281699155 /nfs/dbraw/zinc/69/91/55/1281699155.db2.gz YARIXPNHUVZRFA-HNNXBMFYSA-N 1 0 334.851 2.533 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]C[C@H](CO)C(C)C)c1O ZINC000808421934 1281710065 /nfs/dbraw/zinc/71/00/65/1281710065.db2.gz UMCOKIYMNQDAKK-LLVKDONJSA-N 1 0 332.238 2.517 20 10 EFCDRO Fc1cc(C[NH2+]C[C@H]2COc3ccccc32)ccc1N1CCOCC1 ZINC000808451517 1281716057 /nfs/dbraw/zinc/71/60/57/1281716057.db2.gz QXHHKIUSQKGFMY-INIZCTEOSA-N 1 0 342.414 2.928 20 10 EFCDRO OC[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1 ZINC000808431181 1281725860 /nfs/dbraw/zinc/72/58/60/1281725860.db2.gz OZKGHKUIUPITRT-CYBMUJFWSA-N 1 0 335.787 2.640 20 10 EFCDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)ccn1 ZINC000808432536 1281727251 /nfs/dbraw/zinc/72/72/51/1281727251.db2.gz PSRPYVVFCIFHJK-CQSZACIVSA-N 1 0 345.418 2.917 20 10 EFCDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC000808432457 1281727394 /nfs/dbraw/zinc/72/73/94/1281727394.db2.gz NINMVNXJHAKPGZ-OAHLLOKOSA-N 1 0 327.428 2.778 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)CCc2nc(C)cs2)cc1C ZINC001131377062 1281811416 /nfs/dbraw/zinc/81/14/16/1281811416.db2.gz FSKHCWUNUQHHJO-UHFFFAOYSA-N 1 0 347.484 2.607 20 10 EFCDRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808706721 1281867143 /nfs/dbraw/zinc/86/71/43/1281867143.db2.gz RWDRXZITOZLNEI-DGCLKSJQSA-N 1 0 325.840 2.808 20 10 EFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c1O ZINC000808713078 1281869921 /nfs/dbraw/zinc/86/99/21/1281869921.db2.gz LBLBJSYDLUNERG-JSGCOSHPSA-N 1 0 341.835 2.927 20 10 EFCDRO CCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001086886135 1281892596 /nfs/dbraw/zinc/89/25/96/1281892596.db2.gz NGPVOWRTLFGERC-SWLSCSKDSA-N 1 0 331.420 2.747 20 10 EFCDRO COc1ccc(O)c(C[NH2+]CCNC(=O)CCCc2ccccc2)c1 ZINC000822497859 1289016469 /nfs/dbraw/zinc/01/64/69/1289016469.db2.gz MRJGEEJQWIREHA-UHFFFAOYSA-N 1 0 342.439 2.630 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H]2CC[C@@H](C3CC3)O2)cc1C ZINC001131590318 1282059815 /nfs/dbraw/zinc/05/98/15/1282059815.db2.gz YANNTXXLQSHADG-MJGOQNOKSA-N 1 0 346.471 2.557 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H]2CC[C@H](C3CC3)O2)cc1C ZINC001131590319 1282059990 /nfs/dbraw/zinc/05/99/90/1282059990.db2.gz YANNTXXLQSHADG-PKOBYXMFSA-N 1 0 346.471 2.557 20 10 EFCDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000809691470 1282375613 /nfs/dbraw/zinc/37/56/13/1282375613.db2.gz NKIONCBQTSIKIJ-HNNXBMFYSA-N 1 0 337.439 2.992 20 10 EFCDRO CC[C@H]([NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccccc1O ZINC000809701384 1282387350 /nfs/dbraw/zinc/38/73/50/1282387350.db2.gz FGZPCZTXVSMECK-CWRNSKLLSA-N 1 0 340.489 2.541 20 10 EFCDRO C[NH+](C)CCN(Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000809728452 1282408488 /nfs/dbraw/zinc/40/84/88/1282408488.db2.gz XRZCFNQHYVZLAB-UHFFFAOYSA-N 1 0 328.412 2.685 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](CO)COC(C)C)cc1F ZINC000809768742 1282431462 /nfs/dbraw/zinc/43/14/62/1282431462.db2.gz VRNGFZYKIDPCCU-MRXNPFEDSA-N 1 0 326.456 2.890 20 10 EFCDRO COc1cccc(CN(CC[NH+](C)C)Cc2cccc(OC)c2O)c1 ZINC000809753113 1282456654 /nfs/dbraw/zinc/45/66/54/1282456654.db2.gz YWSYGCZDTHFHBO-UHFFFAOYSA-N 1 0 344.455 2.973 20 10 EFCDRO Cc1cccc(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)c1O ZINC000809784770 1282482605 /nfs/dbraw/zinc/48/26/05/1282482605.db2.gz ZTQNSYFYFKSICJ-OAHLLOKOSA-N 1 0 328.412 2.801 20 10 EFCDRO C[N@H+](C[C@@H](O)CN1CCCc2cc(OC(F)(F)F)ccc21)C1CC1 ZINC000809955458 1282681469 /nfs/dbraw/zinc/68/14/69/1282681469.db2.gz IZPYLEDCXXTFAE-CQSZACIVSA-N 1 0 344.377 2.793 20 10 EFCDRO C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815555445 1287592362 /nfs/dbraw/zinc/59/23/62/1287592362.db2.gz ZSCCSMNDIFBOQE-CYBMUJFWSA-N 1 0 345.409 2.699 20 10 EFCDRO CCCC[C@H](C)[N@H+](C)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000810125547 1282909073 /nfs/dbraw/zinc/90/90/73/1282909073.db2.gz YPMQGOMIHNPNII-LBPRGKRZSA-N 1 0 334.420 2.622 20 10 EFCDRO CC[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(C(F)(F)F)cc1O ZINC000810217981 1283043034 /nfs/dbraw/zinc/04/30/34/1283043034.db2.gz NHOAQPUMEPJJMR-ZFWWWQNUSA-N 1 0 345.409 2.698 20 10 EFCDRO CC[C@H]([NH2+][C@H](C)C(=O)NCCF)c1ccc(C(F)(F)F)cc1O ZINC000810240879 1283095300 /nfs/dbraw/zinc/09/53/00/1283095300.db2.gz HTHFBXNYWLBMMB-SKDRFNHKSA-N 1 0 336.329 2.926 20 10 EFCDRO C[C@H]([NH2+]Cc1cncn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000810242647 1283096329 /nfs/dbraw/zinc/09/63/29/1283096329.db2.gz FRGOMOIJPCWILR-ZDUSSCGKSA-N 1 0 334.851 2.761 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2cnco2)cc1C ZINC001135117986 1287631652 /nfs/dbraw/zinc/63/16/52/1287631652.db2.gz FXEKWWRSYDWNKO-KGLIPLIRSA-N 1 0 331.416 2.678 20 10 EFCDRO COc1cc(C[C@H](CO)C[NH2+]Cc2cc(C)ccc2O)cc(OC)c1 ZINC000747621861 1283461157 /nfs/dbraw/zinc/46/11/57/1283461157.db2.gz CICMZDIOBKJBDT-INIZCTEOSA-N 1 0 345.439 2.659 20 10 EFCDRO CCC[N@H+]1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC001093240843 1283487580 /nfs/dbraw/zinc/48/75/80/1283487580.db2.gz JYYLECSVTNEKMD-TZMCWYRMSA-N 1 0 331.420 2.557 20 10 EFCDRO Oc1cc2ccccc2cc1CNc1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001171404966 1283589157 /nfs/dbraw/zinc/58/91/57/1283589157.db2.gz NCNKJGQFHUZOEV-QGZVFWFLSA-N 1 0 336.395 2.688 20 10 EFCDRO Oc1cc2ccccc2cc1CNc1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001171404965 1283589559 /nfs/dbraw/zinc/58/95/59/1283589559.db2.gz NCNKJGQFHUZOEV-KRWDZBQOSA-N 1 0 336.395 2.688 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2c[nH]nc2C)cc1C ZINC001135144331 1287662124 /nfs/dbraw/zinc/66/21/24/1287662124.db2.gz XTLCRMMYBAXKEJ-KBPBESRZSA-N 1 0 344.459 2.722 20 10 EFCDRO COc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000715098296 1284031859 /nfs/dbraw/zinc/03/18/59/1284031859.db2.gz XLKHWDGINQLIGQ-MQMHXKEQSA-N 1 0 336.432 2.794 20 10 EFCDRO CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715791962 1284331455 /nfs/dbraw/zinc/33/14/55/1284331455.db2.gz MGSGJWSHYJPSKV-JTQLQIEISA-N 1 0 331.229 2.725 20 10 EFCDRO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000811977254 1284790760 /nfs/dbraw/zinc/79/07/60/1284790760.db2.gz CSIRKQIQPPQOJX-UONOGXRCSA-N 1 0 337.464 2.881 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)cc1F ZINC000812782675 1285415306 /nfs/dbraw/zinc/41/53/06/1285415306.db2.gz CQPUZUADBJDKJK-CQSZACIVSA-N 1 0 345.393 2.926 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@H](C)Cn3cccn3)CC2)cc1 ZINC000812825231 1285434901 /nfs/dbraw/zinc/43/49/01/1285434901.db2.gz JLFVHPMJBKBCEG-INIZCTEOSA-N 1 0 328.460 2.786 20 10 EFCDRO Cc1cc(O)c(CN2C[C@H]([NH3+])CC(F)(F)C2)cc1Br ZINC001206144997 1285697340 /nfs/dbraw/zinc/69/73/40/1285697340.db2.gz BSVRWYNTSNZJDE-SNVBAGLBSA-N 1 0 335.192 2.631 20 10 EFCDRO C[C@H]1C[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CN1Cc1ccccc1 ZINC001171731652 1285748201 /nfs/dbraw/zinc/74/82/01/1285748201.db2.gz CTWHEAIDJKSDHU-WMLDXEAASA-N 1 0 340.423 2.533 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2cc(C)no2)cc1C ZINC001133653174 1285752080 /nfs/dbraw/zinc/75/20/80/1285752080.db2.gz MKUKVHKXKZNIGN-KBPBESRZSA-N 1 0 345.443 2.987 20 10 EFCDRO CCOCc1cc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)ccc1OC ZINC000747854162 1285860379 /nfs/dbraw/zinc/86/03/79/1285860379.db2.gz MJUXIRSVKNJPHC-UHFFFAOYSA-N 1 0 346.471 2.722 20 10 EFCDRO CN1[C@H]2COC[C@@H]1CC([N@H+](C)Cc1ccc(N3CCCC3)cc1)C2 ZINC001172138833 1286018055 /nfs/dbraw/zinc/01/80/55/1286018055.db2.gz IXLXOXXXPXPAGR-IHWFROFDSA-N 1 0 329.488 2.580 20 10 EFCDRO CCCOCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133883870 1286051196 /nfs/dbraw/zinc/05/11/96/1286051196.db2.gz HTRPZFKTKZRVPM-JKSUJKDBSA-N 1 0 336.476 2.803 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2cc(C)n[nH]2)cc1C ZINC001133876052 1286061785 /nfs/dbraw/zinc/06/17/85/1286061785.db2.gz QZGSBFRLMHZFFV-KBPBESRZSA-N 1 0 344.459 2.722 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2cc(C)n[nH]2)cc1C ZINC001133876053 1286061943 /nfs/dbraw/zinc/06/19/43/1286061943.db2.gz QZGSBFRLMHZFFV-KGLIPLIRSA-N 1 0 344.459 2.722 20 10 EFCDRO CC1(C)C[C@H](N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)CO1 ZINC001172279405 1286078033 /nfs/dbraw/zinc/07/80/33/1286078033.db2.gz MRAJCDOWSYXPCZ-MJXNMMHHSA-N 1 0 342.439 2.996 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2cnc(C)[nH]2)cc1C ZINC001133917371 1286113327 /nfs/dbraw/zinc/11/33/27/1286113327.db2.gz VFGZBTFVNLMJOQ-UONOGXRCSA-N 1 0 344.459 2.722 20 10 EFCDRO COC(=O)[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001172616317 1286205893 /nfs/dbraw/zinc/20/58/93/1286205893.db2.gz LIOVFWXQMJRVLU-MJGOQNOKSA-N 1 0 346.471 2.687 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2ocnc2C)cc1C ZINC001134022749 1286224633 /nfs/dbraw/zinc/22/46/33/1286224633.db2.gz UTTOEERWSYFGSE-ZIAGYGMSSA-N 1 0 345.443 2.987 20 10 EFCDRO O=C1C[C@@H]([N@H+]2CCc3cccc(O)c3C2)CCN1Cc1ccccc1 ZINC001172682270 1286229144 /nfs/dbraw/zinc/22/91/44/1286229144.db2.gz PFZVXRWHJVVDGJ-SFHVURJKSA-N 1 0 336.435 2.942 20 10 EFCDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000814171565 1286353541 /nfs/dbraw/zinc/35/35/41/1286353541.db2.gz OTAIOHBVUALSFS-FQEVSTJZSA-N 1 0 341.407 2.718 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000814178533 1286360434 /nfs/dbraw/zinc/36/04/34/1286360434.db2.gz UCKIRQLIXAWIGR-MRXNPFEDSA-N 1 0 339.277 2.991 20 10 EFCDRO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000814227167 1286423445 /nfs/dbraw/zinc/42/34/45/1286423445.db2.gz QWKCCBLYERXBOP-AWEZNQCLSA-N 1 0 337.485 2.528 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)Cc2cccc(F)c2F)cc1C ZINC001134404657 1286662806 /nfs/dbraw/zinc/66/28/06/1286662806.db2.gz KRPXCESAFXUUDH-UHFFFAOYSA-N 1 0 348.393 2.730 20 10 EFCDRO c1nnn([C@H]2CCC[C@@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC001173731938 1286789342 /nfs/dbraw/zinc/78/93/42/1286789342.db2.gz DUGQNSPTGKUYJC-MJGOQNOKSA-N 1 0 340.475 2.937 20 10 EFCDRO COc1cc(C)sc1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001134750213 1287144376 /nfs/dbraw/zinc/14/43/76/1287144376.db2.gz PNYXLHVJSKCXAA-UHFFFAOYSA-N 1 0 348.468 2.902 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc(C(C)C)no2)cc1C ZINC001134762573 1287160207 /nfs/dbraw/zinc/16/02/07/1287160207.db2.gz CGNGYINZVCRGKN-UHFFFAOYSA-N 1 0 331.416 2.635 20 10 EFCDRO CC(C)CN1CCO[C@@H](C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816528501 1288205000 /nfs/dbraw/zinc/20/50/00/1288205000.db2.gz FTZOPOIFQWOBNL-SFHVURJKSA-N 1 0 328.456 2.992 20 10 EFCDRO Cn1c(=O)oc2cc(C[NH2+]CCCSc3nccs3)ccc21 ZINC000816552899 1288210795 /nfs/dbraw/zinc/21/07/95/1288210795.db2.gz ARMLQSYNMFKLPI-UHFFFAOYSA-N 1 0 335.454 2.860 20 10 EFCDRO O=S1(=O)C[C@@H](NCc2cc(Cl)c(F)cc2[O-])c2ccccc21 ZINC000816558321 1288210831 /nfs/dbraw/zinc/21/08/31/1288210831.db2.gz UPNTXGXJWAFJRY-CYBMUJFWSA-N 1 0 341.791 2.803 20 10 EFCDRO Cc1nccc(N2CC[NH+](Cc3ccc4ccccc4c3O)CC2)n1 ZINC000816569413 1288212291 /nfs/dbraw/zinc/21/22/91/1288212291.db2.gz KWZJJGNTODDLDB-UHFFFAOYSA-N 1 0 334.423 2.966 20 10 EFCDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816609056 1288222768 /nfs/dbraw/zinc/22/27/68/1288222768.db2.gz QQPQDGYDKVFUON-YJBOKZPZSA-N 1 0 326.440 2.840 20 10 EFCDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816609055 1288222945 /nfs/dbraw/zinc/22/29/45/1288222945.db2.gz QQPQDGYDKVFUON-QAPCUYQASA-N 1 0 326.440 2.840 20 10 EFCDRO C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816610665 1288224783 /nfs/dbraw/zinc/22/47/83/1288224783.db2.gz SWMFDYMJRFQOEE-UHFFFAOYSA-N 1 0 345.890 2.890 20 10 EFCDRO CC(C)[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCCO1 ZINC000816676208 1288241149 /nfs/dbraw/zinc/24/11/49/1288241149.db2.gz VMJXCCIQKFHCMT-LJQANCHMSA-N 1 0 336.451 2.909 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2nc(C)c[nH]2)cc1C ZINC001135666779 1288246309 /nfs/dbraw/zinc/24/63/09/1288246309.db2.gz IKMDZTZIQQPOHB-KGLIPLIRSA-N 1 0 344.459 2.722 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)cc1C ZINC001177221005 1288332802 /nfs/dbraw/zinc/33/28/02/1288332802.db2.gz SNUCPDPFXKYOQA-JMKWWQJESA-N 1 0 342.483 2.892 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](C)C[C@@H]2CCCO2)cc1C ZINC001177228826 1288336923 /nfs/dbraw/zinc/33/69/23/1288336923.db2.gz GSSMJOIKNWOBKP-WMZOPIPTSA-N 1 0 348.487 2.805 20 10 EFCDRO CC/C=C/CC[NH2+]CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177237825 1288342056 /nfs/dbraw/zinc/34/20/56/1288342056.db2.gz LZYKJCIGVSGUOR-OPAYYZTASA-N 1 0 331.420 2.915 20 10 EFCDRO C[C@@H](NC(=O)NC1CCC([NH+](C)C)CC1)c1ccc(N(C)C)cc1 ZINC000817164263 1288446693 /nfs/dbraw/zinc/44/66/93/1288446693.db2.gz FLTBQRLHHPBOQD-MXWWQKGMSA-N 1 0 332.492 2.986 20 10 EFCDRO CCC[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)CCO1 ZINC001135850298 1288483949 /nfs/dbraw/zinc/48/39/49/1288483949.db2.gz MLCMPZPSYPSOKG-ROUUACIJSA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2nocc2C)cc1C ZINC001135876061 1288533162 /nfs/dbraw/zinc/53/31/62/1288533162.db2.gz JMPQCVORGRNVLZ-HUUCEWRRSA-N 1 0 345.443 2.987 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2nocc2C)cc1C ZINC001135876062 1288533486 /nfs/dbraw/zinc/53/34/86/1288533486.db2.gz JMPQCVORGRNVLZ-LSDHHAIUSA-N 1 0 345.443 2.987 20 10 EFCDRO CCCN1C[C@@H](C[NH2+]Cc2cc(Br)ccc2O)CC1=O ZINC000817411320 1288590522 /nfs/dbraw/zinc/59/05/22/1288590522.db2.gz PYKUMQKGENBXHT-LLVKDONJSA-N 1 0 341.249 2.503 20 10 EFCDRO COc1cc(Br)cc(CN(C)C[C@H]2CCC[N@@H+]2C)c1O ZINC000817417907 1288593531 /nfs/dbraw/zinc/59/35/31/1288593531.db2.gz WKZGONGDNFXYON-CYBMUJFWSA-N 1 0 343.265 2.689 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC[C@@H](C)OC)[C@H]2C)cc1C ZINC001178538414 1288809875 /nfs/dbraw/zinc/80/98/75/1288809875.db2.gz RZBVYAWEPXJESY-RYRKJORJSA-N 1 0 348.487 2.898 20 10 EFCDRO [NH3+]C[C@@]1(F)CCCCN(Cc2c(O)cccc2Br)C1 ZINC001206352212 1288958760 /nfs/dbraw/zinc/95/87/60/1288958760.db2.gz RFHIFKOZZKWONJ-AWEZNQCLSA-N 1 0 331.229 2.808 20 10 EFCDRO [NH3+]C[C@]1(F)CCCCN(Cc2c(O)cccc2Br)C1 ZINC001206352213 1288958992 /nfs/dbraw/zinc/95/89/92/1288958992.db2.gz RFHIFKOZZKWONJ-CQSZACIVSA-N 1 0 331.229 2.808 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000822525955 1289009863 /nfs/dbraw/zinc/00/98/63/1289009863.db2.gz SEKTTZRJPUFJEM-MRXNPFEDSA-N 1 0 331.460 2.941 20 10 EFCDRO CC(C)CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001179691629 1289220827 /nfs/dbraw/zinc/22/08/27/1289220827.db2.gz YHOUSTQYCNNTDJ-OXJNXJPWSA-N 1 0 332.444 2.866 20 10 EFCDRO COC(=O)c1c(CN2CC[NH+](CC(C)C)CC2)c2ccccc2n1C ZINC001232400246 1312693982 /nfs/dbraw/zinc/69/39/82/1312693982.db2.gz CJEUFSRSBNRDTB-UHFFFAOYSA-N 1 0 343.471 2.739 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)c2ccccc2n1C ZINC001232402365 1312694210 /nfs/dbraw/zinc/69/42/10/1312694210.db2.gz MBJAJMDMMNATIY-YJYMSZOUSA-N 1 0 330.428 2.558 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c2ccccc2n1C ZINC001232400898 1312694255 /nfs/dbraw/zinc/69/42/55/1312694255.db2.gz LUGUEAQSPDXGBH-SUNYJGFJSA-N 1 0 342.439 2.964 20 10 EFCDRO COc1cc([C@H](C)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)on1 ZINC000903448381 1312694574 /nfs/dbraw/zinc/69/45/74/1312694574.db2.gz OFZLWXPNKWPQOV-BBRMVZONSA-N 1 0 332.448 2.703 20 10 EFCDRO CC[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1nccn1C ZINC000903448587 1312694684 /nfs/dbraw/zinc/69/46/84/1312694684.db2.gz QHCIZRKLGMAEHU-ROUUACIJSA-N 1 0 329.492 2.830 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@@](O)(CF)CC2)c2ccccc2n1C ZINC001232403373 1312695113 /nfs/dbraw/zinc/69/51/13/1312695113.db2.gz WUTBZZYTAABBIT-IBGZPJMESA-N 1 0 348.418 2.651 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2CCCn3nccc32)N(C)C)cc1 ZINC000903449130 1312695497 /nfs/dbraw/zinc/69/54/97/1312695497.db2.gz VNNMKMATVDFWMS-IEBWSBKVSA-N 1 0 327.476 2.677 20 10 EFCDRO CCn1ccnc1[C@H](C)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000903449141 1312695605 /nfs/dbraw/zinc/69/56/05/1312695605.db2.gz VPEGTKJWJNRFFD-YJBOKZPZSA-N 1 0 329.492 2.923 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2CCCc3nn(C)cc32)N(C)C)cc1 ZINC000903448982 1312695621 /nfs/dbraw/zinc/69/56/21/1312695621.db2.gz UYGJEVCAKISKLU-UYAOXDASSA-N 1 0 341.503 2.756 20 10 EFCDRO CCn1ccnc1[C@H](C)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000903449139 1312695664 /nfs/dbraw/zinc/69/56/64/1312695664.db2.gz VPEGTKJWJNRFFD-MAUKXSAKSA-N 1 0 329.492 2.923 20 10 EFCDRO COC(=O)c1c(C[N@H+]2CC[C@@H](OC)C[C@H]2C)c2ccccc2n1C ZINC001232409602 1312696352 /nfs/dbraw/zinc/69/63/52/1312696352.db2.gz FTVMZFSXSQYVCU-ZIAGYGMSSA-N 1 0 330.428 2.964 20 10 EFCDRO O=C(NCc1ccc2cccnc2c1O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000823770236 1289445397 /nfs/dbraw/zinc/44/53/97/1289445397.db2.gz ZVFSGYFVFOWBDW-MRXNPFEDSA-N 1 0 325.412 2.574 20 10 EFCDRO O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000823770234 1289445903 /nfs/dbraw/zinc/44/59/03/1289445903.db2.gz ZVFSGYFVFOWBDW-INIZCTEOSA-N 1 0 325.412 2.574 20 10 EFCDRO C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000823851381 1289470227 /nfs/dbraw/zinc/47/02/27/1289470227.db2.gz LXJWWHWLOXBZLS-OAHLLOKOSA-N 1 0 338.517 2.836 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](O)c2ccccc2)cc1Cn1cccn1 ZINC000873006931 1289514960 /nfs/dbraw/zinc/51/49/60/1289514960.db2.gz CIWCRHUKJVGOSX-IBGZPJMESA-N 1 0 337.423 2.763 20 10 EFCDRO COc1ccc(CNCCC[NH+]2CCCCC2)cc1Cn1cccn1 ZINC000873009524 1289516596 /nfs/dbraw/zinc/51/65/96/1289516596.db2.gz MZVRWISPJZFVDU-UHFFFAOYSA-N 1 0 342.487 2.906 20 10 EFCDRO COc1cc(C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)ccn1 ZINC000873009840 1289516758 /nfs/dbraw/zinc/51/67/58/1289516758.db2.gz BWEHLLOSFMYYOH-UHFFFAOYSA-N 1 0 338.411 2.633 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](C)Cn2cccn2)cc1Cn1cccn1 ZINC000873017090 1289522085 /nfs/dbraw/zinc/52/20/85/1289522085.db2.gz VFFSIUPBYKHQQZ-INIZCTEOSA-N 1 0 339.443 2.562 20 10 EFCDRO COc1ccc(C[NH2+]CC2(O)CCCCC2)cc1Cn1cccn1 ZINC000873034770 1289532392 /nfs/dbraw/zinc/53/23/92/1289532392.db2.gz XTHRIYLHHPWHKL-UHFFFAOYSA-N 1 0 329.444 2.725 20 10 EFCDRO CC[C@@H](C)[N@H+](C)CCNCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873037085 1289533645 /nfs/dbraw/zinc/53/36/45/1289533645.db2.gz LXXRQGPTSAMPMR-MRXNPFEDSA-N 1 0 330.476 2.760 20 10 EFCDRO CCN(CC)C[C@H](C)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873042712 1289536709 /nfs/dbraw/zinc/53/67/09/1289536709.db2.gz HFYLAMDMSZNAHA-INIZCTEOSA-N 1 0 330.476 2.760 20 10 EFCDRO COc1ccc(CNCC[N@H+](C)C2CCCC2)cc1Cn1cccn1 ZINC000873045363 1289538000 /nfs/dbraw/zinc/53/80/00/1289538000.db2.gz DLFURFOIMITZQY-UHFFFAOYSA-N 1 0 342.487 2.904 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C2CC2)cc1Cn1cccn1 ZINC000873045753 1289538099 /nfs/dbraw/zinc/53/80/99/1289538099.db2.gz KYJCSOYCAKWBBG-OAHLLOKOSA-N 1 0 328.460 2.512 20 10 EFCDRO CCC(CC)[C@@H](O)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873051239 1289540754 /nfs/dbraw/zinc/54/07/54/1289540754.db2.gz GBJSQKBRSAQRPZ-SFHVURJKSA-N 1 0 331.460 2.827 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](OC)C(F)(F)F)cc1Cn1cccn1 ZINC000873049962 1289540833 /nfs/dbraw/zinc/54/08/33/1289540833.db2.gz NOHLXDAKBODJFV-HNNXBMFYSA-N 1 0 343.349 2.607 20 10 EFCDRO COc1ccc(C[NH2+]CCC(=O)OC(C)(C)C)cc1Cn1cccn1 ZINC000873059876 1289545572 /nfs/dbraw/zinc/54/55/72/1289545572.db2.gz BAWCSRFYBHAILP-UHFFFAOYSA-N 1 0 345.443 2.761 20 10 EFCDRO COc1ccc(C[NH2+]CCCC(C)(C)CO)cc1Cn1cccn1 ZINC000873061258 1289546965 /nfs/dbraw/zinc/54/69/65/1289546965.db2.gz QODVLQMGASVNHA-UHFFFAOYSA-N 1 0 331.460 2.828 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](CO)C2CCCCC2)cc1Cn1cccn1 ZINC000873066736 1289549155 /nfs/dbraw/zinc/54/91/55/1289549155.db2.gz CMBBEJQCSAYTQL-IBGZPJMESA-N 1 0 343.471 2.971 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@H]2CCc3nc(COC)nn3C2)cc1C ZINC000873076401 1289555576 /nfs/dbraw/zinc/55/55/76/1289555576.db2.gz KBMCYNLVMRPTBY-INIZCTEOSA-N 1 0 344.459 2.626 20 10 EFCDRO COc1ccc(C[NH2+]C2(CO)CCCCC2)cc1Cn1cccn1 ZINC000873100893 1289568579 /nfs/dbraw/zinc/56/85/79/1289568579.db2.gz HTSQBCIWYYGVMG-UHFFFAOYSA-N 1 0 329.444 2.725 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2OC)cc1Cn1cccn1 ZINC000873101085 1289568823 /nfs/dbraw/zinc/56/88/23/1289568823.db2.gz NXRVWXQGPPICBO-FUHWJXTLSA-N 1 0 329.444 2.845 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCCOC2)cc1Cn1cccn1 ZINC000873102691 1289569301 /nfs/dbraw/zinc/56/93/01/1289569301.db2.gz NNGOWHKOJIJSSV-RDJZCZTQSA-N 1 0 329.444 2.845 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cc1Cn1cccn1 ZINC000873107838 1289570152 /nfs/dbraw/zinc/57/01/52/1289570152.db2.gz RABXRXHHHQKQAO-QUCCMNQESA-N 1 0 341.455 2.987 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)cc1Cn1cccn1 ZINC000873110502 1289572348 /nfs/dbraw/zinc/57/23/48/1289572348.db2.gz QMPSQOSVQCXWEI-FUHWJXTLSA-N 1 0 329.444 2.581 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCOC[C@H]2C)cc1Cn1cccn1 ZINC000873126617 1289582252 /nfs/dbraw/zinc/58/22/52/1289582252.db2.gz VDQFVWOEMLAHOV-WBVHZDCISA-N 1 0 329.444 2.702 20 10 EFCDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873129203 1289585112 /nfs/dbraw/zinc/58/51/12/1289585112.db2.gz HMBJWPXBUCVXPN-IEBWSBKVSA-N 1 0 329.444 2.987 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)[C@@H](O)C(C)C ZINC000873132533 1289587707 /nfs/dbraw/zinc/58/77/07/1289587707.db2.gz WVXIQUCVMPPLTH-HKUYNNGSSA-N 1 0 331.460 2.825 20 10 EFCDRO COCC1([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CCCC1 ZINC000873134242 1289590108 /nfs/dbraw/zinc/59/01/08/1289590108.db2.gz LZTINDPTZPCLGC-UHFFFAOYSA-N 1 0 329.444 2.989 20 10 EFCDRO COc1ccc(CN[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1Cn1cccn1 ZINC000873135622 1289591735 /nfs/dbraw/zinc/59/17/35/1289591735.db2.gz YWHXTGGSWZAXFT-SFHVURJKSA-N 1 0 342.487 2.902 20 10 EFCDRO COc1ccc(C[NH2+]CC2SCCS2)cc1Cn1cccn1 ZINC000873139048 1289593571 /nfs/dbraw/zinc/59/35/71/1289593571.db2.gz RUNDVMDEOTWGHI-UHFFFAOYSA-N 1 0 335.498 2.836 20 10 EFCDRO COc1ccc(C[NH2+]CC[C@@H](O)C2CCCC2)cc1Cn1cccn1 ZINC000873151925 1289603513 /nfs/dbraw/zinc/60/35/13/1289603513.db2.gz DEBVLSFZFSXPQS-LJQANCHMSA-N 1 0 343.471 2.971 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(O)c1 ZINC000824321147 1289605795 /nfs/dbraw/zinc/60/57/95/1289605795.db2.gz PGBCAVHHQXLOGY-AUUYWEPGSA-N 1 0 348.443 2.747 20 10 EFCDRO COc1cccc(C[NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1O ZINC000824383753 1289636225 /nfs/dbraw/zinc/63/62/25/1289636225.db2.gz UQCPWHSPUNXXRA-AUUYWEPGSA-N 1 0 348.443 2.747 20 10 EFCDRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CC12COC2 ZINC000824488954 1289666486 /nfs/dbraw/zinc/66/64/86/1289666486.db2.gz DCRCBWVGUCAQQT-KRWDZBQOSA-N 1 0 341.407 2.557 20 10 EFCDRO OCCCN1CCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000824559086 1289698512 /nfs/dbraw/zinc/69/85/12/1289698512.db2.gz FGCIACXWERPYJF-FQEVSTJZSA-N 1 0 340.467 2.996 20 10 EFCDRO COc1cc(O)c(C[NH2+]Cc2cc(F)cnc2Cl)cc1OC ZINC000824538477 1289708177 /nfs/dbraw/zinc/70/81/77/1289708177.db2.gz QJVGJZPIVZEEJS-UHFFFAOYSA-N 1 0 326.755 2.887 20 10 EFCDRO CCCNC(=O)C[N@H+](CCC)Cc1ccc(Br)cc1O ZINC000824600765 1289720505 /nfs/dbraw/zinc/72/05/05/1289720505.db2.gz CCBDRDDZHTYEPK-UHFFFAOYSA-N 1 0 343.265 2.893 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000824608734 1289725747 /nfs/dbraw/zinc/72/57/47/1289725747.db2.gz OGORELDHKVYXAN-CQSZACIVSA-N 1 0 334.460 2.905 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C)OCC3CC3)C2)cc1C ZINC001181452563 1289794905 /nfs/dbraw/zinc/79/49/05/1289794905.db2.gz PHUIQNACBUISLU-CRAIPNDOSA-N 1 0 346.471 2.509 20 10 EFCDRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cc(Cl)c3cccnc3c2O)C1 ZINC001181982775 1290022066 /nfs/dbraw/zinc/02/20/66/1290022066.db2.gz RRQNHBGJBIXSNP-GFCCVEGCSA-N 1 0 347.846 2.940 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1(C[NH+](C)C)CC1 ZINC000873861647 1290090754 /nfs/dbraw/zinc/09/07/54/1290090754.db2.gz GPUDNRDHBLZOBD-UHFFFAOYSA-N 1 0 329.488 2.977 20 10 EFCDRO O=C(CCc1ccc(O)c(O)c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC001182153775 1290096202 /nfs/dbraw/zinc/09/62/02/1290096202.db2.gz JNVPTFNJTDFNOF-UHFFFAOYSA-N 1 0 346.471 2.755 20 10 EFCDRO COc1cccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)c1O ZINC000825702624 1290111503 /nfs/dbraw/zinc/11/15/03/1290111503.db2.gz DFQOXVUMBRPVKC-INIZCTEOSA-N 1 0 332.444 2.814 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)cc(O)c1O ZINC001204342879 1290202708 /nfs/dbraw/zinc/20/27/08/1290202708.db2.gz NWENGVCENBGVNJ-ZUZCIYMTSA-N 1 0 349.349 2.632 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC2CC2)cc1 ZINC001037134455 1290420113 /nfs/dbraw/zinc/42/01/13/1290420113.db2.gz KMZIRJGOFRSMBA-ZBFHGGJFSA-N 1 0 343.431 2.747 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC2CC2)cc1 ZINC001037134453 1290420277 /nfs/dbraw/zinc/42/02/77/1290420277.db2.gz KMZIRJGOFRSMBA-GOEBONIOSA-N 1 0 343.431 2.747 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1Cl ZINC000825779849 1290503916 /nfs/dbraw/zinc/50/39/16/1290503916.db2.gz QWWCPDHRWFGLSI-OAHLLOKOSA-N 1 0 338.879 2.898 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)CCC[C@@]1(O)C(F)(F)F ZINC001232833661 1312789984 /nfs/dbraw/zinc/78/99/84/1312789984.db2.gz CCYKCKHSWVESGA-LRDDRELGSA-N 1 0 346.393 2.984 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232834849 1312790909 /nfs/dbraw/zinc/79/09/09/1312790909.db2.gz ODQDANDXLZKOFD-OAHLLOKOSA-N 1 0 336.432 2.984 20 10 EFCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2O)C[C@@]1(O)C(F)(F)F ZINC001232834844 1312790961 /nfs/dbraw/zinc/79/09/61/1312790961.db2.gz NZKINICJTKYTPI-ABAIWWIYSA-N 1 0 332.366 2.593 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232834848 1312791317 /nfs/dbraw/zinc/79/13/17/1312791317.db2.gz ODQDANDXLZKOFD-HNNXBMFYSA-N 1 0 336.432 2.984 20 10 EFCDRO CC(C)C(=O)N1CCC[C@@]12CC[N@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232838562 1312792153 /nfs/dbraw/zinc/79/21/53/1312792153.db2.gz SCXBEDUWIDGACI-FQEVSTJZSA-N 1 0 345.487 2.681 20 10 EFCDRO COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232838206 1312792538 /nfs/dbraw/zinc/79/25/38/1312792538.db2.gz HXEMNIYMUPRNFG-OXJNMPFZSA-N 1 0 348.487 2.866 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)c(O)c1 ZINC001232838872 1312792551 /nfs/dbraw/zinc/79/25/51/1312792551.db2.gz JYHRLVMVNQPSSP-UHFFFAOYSA-N 1 0 343.446 2.915 20 10 EFCDRO CCc1nnc(C2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)o1 ZINC001232840224 1312792954 /nfs/dbraw/zinc/79/29/54/1312792954.db2.gz PVDPLPYLONQLAJ-UHFFFAOYSA-N 1 0 330.432 2.783 20 10 EFCDRO COc1cc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3O)C2)ccn1 ZINC001232841940 1312793651 /nfs/dbraw/zinc/79/36/51/1312793651.db2.gz VCGCFEPOINHWCX-KRWDZBQOSA-N 1 0 343.427 2.515 20 10 EFCDRO Cc1cnc(O[C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3O)C2)nc1 ZINC001232841930 1312793719 /nfs/dbraw/zinc/79/37/19/1312793719.db2.gz USTQQMGVWQBBJW-QGZVFWFLSA-N 1 0 342.443 2.600 20 10 EFCDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC[C@@H]21 ZINC000092043250 1290629293 /nfs/dbraw/zinc/62/92/93/1290629293.db2.gz FRXFVGGFECMLEQ-FZMZJTMJSA-N 1 0 339.823 2.870 20 10 EFCDRO COc1ccc(C[NH+]2CCC3(CCN(C(C)C)C3=O)CC2)c(O)c1 ZINC001203635425 1290906922 /nfs/dbraw/zinc/90/69/22/1290906922.db2.gz UDUGFSFEFKKMCO-UHFFFAOYSA-N 1 0 332.444 2.624 20 10 EFCDRO OC1CCN(c2ccc(C[N@H+](C[C@@H]3CCOC3)C3CC3)cc2)CC1 ZINC000876570652 1290944185 /nfs/dbraw/zinc/94/41/85/1290944185.db2.gz KAZIHZUESJPPDU-KRWDZBQOSA-N 1 0 330.472 2.649 20 10 EFCDRO OC1CCN(c2ccc(CN3CCC[C@H]3C[NH+]3CCCC3)cc2)CC1 ZINC000876645795 1290964994 /nfs/dbraw/zinc/96/49/94/1290964994.db2.gz RHIUKDHCEQWWJE-FQEVSTJZSA-N 1 0 343.515 2.708 20 10 EFCDRO COc1ccc(C[N@H+](CCO)Cc2ccc(C)cc2O)c(OC)c1 ZINC000876731151 1290993738 /nfs/dbraw/zinc/99/37/38/1290993738.db2.gz NWVTYJASIPXZJL-UHFFFAOYSA-N 1 0 331.412 2.712 20 10 EFCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000876781819 1291023261 /nfs/dbraw/zinc/02/32/61/1291023261.db2.gz NVURLCFATBNENM-MSOLQXFVSA-N 1 0 330.472 2.506 20 10 EFCDRO CCOc1ccnc(N2CCC[N@H+](Cc3ccc(C)cc3O)CC2)n1 ZINC000876808647 1291027853 /nfs/dbraw/zinc/02/78/53/1291027853.db2.gz UKVWDXIVWLFPIV-UHFFFAOYSA-N 1 0 342.443 2.602 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CS[C@@H](C)C3)CC2)cc1 ZINC000876900809 1291064888 /nfs/dbraw/zinc/06/48/88/1291064888.db2.gz RJNCFUCXCPQKBZ-IRXDYDNUSA-N 1 0 349.544 2.691 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3Cc4ccccc4O3)cc2)CC1 ZINC000876916376 1291071087 /nfs/dbraw/zinc/07/10/87/1291071087.db2.gz RQEICXJNGPWBAS-HXUWFJFHSA-N 1 0 338.451 2.741 20 10 EFCDRO CN(CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000876919057 1291072868 /nfs/dbraw/zinc/07/28/68/1291072868.db2.gz PBQBHAKWJICTJM-UHFFFAOYSA-N 1 0 339.483 2.874 20 10 EFCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)sn1 ZINC000876965112 1291088537 /nfs/dbraw/zinc/08/85/37/1291088537.db2.gz BIQGFTHXTBZEMN-UHFFFAOYSA-N 1 0 335.448 2.842 20 10 EFCDRO COc1cc(C[NH2+]CCN2CCCOCC2)c(O)c(C(C)(C)C)c1 ZINC000825927885 1291100513 /nfs/dbraw/zinc/10/05/13/1291100513.db2.gz JDEOIBSDPFWWKX-UHFFFAOYSA-N 1 0 336.476 2.510 20 10 EFCDRO C[C@@H]1CN(Cc2cc(O)c(O)c(O)c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001233009967 1312831811 /nfs/dbraw/zinc/83/18/11/1312831811.db2.gz FOWQNRXCTJBOLS-CABCVRRESA-N 1 0 342.439 2.898 20 10 EFCDRO Oc1cc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc(O)c1O ZINC001233012749 1312832054 /nfs/dbraw/zinc/83/20/54/1312832054.db2.gz MYNNINZNZZONDQ-IAGOWNOFSA-N 1 0 340.423 2.510 20 10 EFCDRO Cc1cccnc1O[C@H]1CCCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233016298 1312832802 /nfs/dbraw/zinc/83/28/02/1312832802.db2.gz SGCCKHZWXWBKHQ-AWEZNQCLSA-N 1 0 330.384 2.550 20 10 EFCDRO Oc1cc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc(O)c1O ZINC001233015244 1312832885 /nfs/dbraw/zinc/83/28/85/1312832885.db2.gz GMWHEXSYHDTEHY-DLBZAZTESA-N 1 0 340.423 2.510 20 10 EFCDRO CC(C)[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(O)c(O)c(O)c1 ZINC001233016827 1312833142 /nfs/dbraw/zinc/83/31/42/1312833142.db2.gz PSPNJJOYYGLTAG-UHFFFAOYSA-N 1 0 340.420 2.539 20 10 EFCDRO Cc1ccccc1[C@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877078946 1291128114 /nfs/dbraw/zinc/12/81/14/1291128114.db2.gz KMPSTCWEDLVZPP-NRFANRHFSA-N 1 0 340.467 2.779 20 10 EFCDRO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877078947 1291128186 /nfs/dbraw/zinc/12/81/86/1291128186.db2.gz KMPSTCWEDLVZPP-OAQYLSRUSA-N 1 0 340.467 2.779 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C)cc2=O ZINC000248556791 1291130188 /nfs/dbraw/zinc/13/01/88/1291130188.db2.gz LEJQUZCTBVHTAY-YWPYICTPSA-N 1 0 346.431 2.526 20 10 EFCDRO COCC[N@H+](Cc1cc(Cl)ccc1O)C1CCN(C(C)=O)CC1 ZINC001203657235 1291135060 /nfs/dbraw/zinc/13/50/60/1291135060.db2.gz IMYYKVBDPSGPQN-UHFFFAOYSA-N 1 0 340.851 2.505 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc(Cl)cn3)cc2)CC1 ZINC000877136895 1291142605 /nfs/dbraw/zinc/14/26/05/1291142605.db2.gz OWBMEYBUZPKXLB-UHFFFAOYSA-N 1 0 331.847 2.986 20 10 EFCDRO COC(=O)CC[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1CCCO1 ZINC000093460684 1291148365 /nfs/dbraw/zinc/14/83/65/1291148365.db2.gz YXGHQNBJFNQLAD-CQSZACIVSA-N 1 0 327.808 2.590 20 10 EFCDRO Cc1cccc(NCC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000877157244 1291150937 /nfs/dbraw/zinc/15/09/37/1291150937.db2.gz AFHYQAMZCFWDJH-UHFFFAOYSA-N 1 0 340.471 2.553 20 10 EFCDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000877323108 1291192323 /nfs/dbraw/zinc/19/23/23/1291192323.db2.gz IMYBVHASFRGAIF-HUUCEWRRSA-N 1 0 345.443 2.617 20 10 EFCDRO COC[C@@H]1CCCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877395401 1291220996 /nfs/dbraw/zinc/22/09/96/1291220996.db2.gz JTXAKQAPJQDYBL-GOSISDBHSA-N 1 0 332.488 2.896 20 10 EFCDRO CC(C)([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCOCC1 ZINC000877483250 1291244473 /nfs/dbraw/zinc/24/44/73/1291244473.db2.gz QZNBNXDKXQTNDL-UHFFFAOYSA-N 1 0 332.488 2.943 20 10 EFCDRO CC(C)(C)[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000877485675 1291245790 /nfs/dbraw/zinc/24/57/90/1291245790.db2.gz CPRSRQCVZWHWQX-LJQANCHMSA-N 1 0 332.488 2.895 20 10 EFCDRO O[C@H](CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877528168 1291260873 /nfs/dbraw/zinc/26/08/73/1291260873.db2.gz VUKRKLWCVMIDOS-OAQYLSRUSA-N 1 0 340.467 2.861 20 10 EFCDRO Cc1cccc(O)c1C[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000877534879 1291265420 /nfs/dbraw/zinc/26/54/20/1291265420.db2.gz POFCFIRURDGUHS-HNNXBMFYSA-N 1 0 328.412 2.801 20 10 EFCDRO Cc1ccc(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)c(O)c1 ZINC000877534922 1291265545 /nfs/dbraw/zinc/26/55/45/1291265545.db2.gz QRSUHHMVSYWBOL-HNNXBMFYSA-N 1 0 328.412 2.801 20 10 EFCDRO CC1(C)C[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000877578083 1291280152 /nfs/dbraw/zinc/28/01/52/1291280152.db2.gz TWDLAHKLZPDMGP-QGZVFWFLSA-N 1 0 332.488 2.943 20 10 EFCDRO CO[C@@](C)([C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000877588504 1291282795 /nfs/dbraw/zinc/28/27/95/1291282795.db2.gz RDQLHKDFHNUBJN-YWZLYKJASA-N 1 0 332.488 2.941 20 10 EFCDRO CO[C@](C)([C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000877588501 1291283368 /nfs/dbraw/zinc/28/33/68/1291283368.db2.gz RDQLHKDFHNUBJN-FOIQADDNSA-N 1 0 332.488 2.941 20 10 EFCDRO Cc1cccc(O)c1C[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000877597450 1291286579 /nfs/dbraw/zinc/28/65/79/1291286579.db2.gz MLFJYZSHGRYXKG-UHFFFAOYSA-N 1 0 326.440 2.929 20 10 EFCDRO Cc1cnc(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(C)c1 ZINC000877618474 1291294186 /nfs/dbraw/zinc/29/41/86/1291294186.db2.gz VWSJQROWHGJZFN-UHFFFAOYSA-N 1 0 339.483 2.992 20 10 EFCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000877638614 1291300821 /nfs/dbraw/zinc/30/08/21/1291300821.db2.gz IOMJHGQYRVOAOG-FQEVSTJZSA-N 1 0 332.488 2.943 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CC3(Cl)Cl)cc2)CC1 ZINC000877636583 1291301912 /nfs/dbraw/zinc/30/19/12/1291301912.db2.gz CFFSEOAEQBJPAE-ZDUSSCGKSA-N 1 0 329.271 2.931 20 10 EFCDRO Cc1ccc(CNc2ccc(C(=O)NCC[NH+](C)C)cc2)c(O)c1 ZINC000877652186 1291308963 /nfs/dbraw/zinc/30/89/63/1291308963.db2.gz DXBNAEOLLDKDFR-UHFFFAOYSA-N 1 0 327.428 2.604 20 10 EFCDRO C[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)CC1(C)OCCO1 ZINC000877670270 1291323174 /nfs/dbraw/zinc/32/31/74/1291323174.db2.gz NNWJSUMOFVDPSW-INIZCTEOSA-N 1 0 348.487 2.527 20 10 EFCDRO CCOc1cccc(C[NH+]2CCN(Cc3ccc(O)cc3)CC2)c1O ZINC000877707600 1291338274 /nfs/dbraw/zinc/33/82/74/1291338274.db2.gz XRBODNUAOYVAMB-UHFFFAOYSA-N 1 0 342.439 2.814 20 10 EFCDRO CC(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001188265214 1291358321 /nfs/dbraw/zinc/35/83/21/1291358321.db2.gz FGKRUDMDBQXXPL-OAHLLOKOSA-N 1 0 331.420 2.699 20 10 EFCDRO O=C(NCC1C[NH+](Cc2ccc3ccccc3c2O)C1)C(F)(F)F ZINC000877776341 1291369511 /nfs/dbraw/zinc/36/95/11/1291369511.db2.gz GQJFJUISJLMPHR-UHFFFAOYSA-N 1 0 338.329 2.656 20 10 EFCDRO OC[C@H]1CSCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000877779882 1291374162 /nfs/dbraw/zinc/37/41/62/1291374162.db2.gz HBBMASZOUPSJRN-KRWDZBQOSA-N 1 0 345.464 2.881 20 10 EFCDRO CCOC(=O)CC[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC001233110263 1312856379 /nfs/dbraw/zinc/85/63/79/1312856379.db2.gz IVWMHYVBYOXSRZ-UHFFFAOYSA-N 1 0 330.222 2.848 20 10 EFCDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(Br)cc(C)c1O ZINC001233110712 1312856401 /nfs/dbraw/zinc/85/64/01/1312856401.db2.gz IOEPEDQPOTUPMG-KBPBESRZSA-N 1 0 325.250 2.742 20 10 EFCDRO CC[NH+]1C[C@H]2CN(Cc3cc(Br)cc(C)c3O)C[C@@H]2C1 ZINC001233111530 1312856733 /nfs/dbraw/zinc/85/67/33/1312856733.db2.gz SGAAHFLUOXVTMU-KBPBESRZSA-N 1 0 339.277 2.847 20 10 EFCDRO CCN(CC)c1ccc(CN(C)C(=O)C[C@H]2CSCC[NH2+]2)cc1 ZINC000826020333 1291482890 /nfs/dbraw/zinc/48/28/90/1291482890.db2.gz RIIVQVYEMHQUTL-INIZCTEOSA-N 1 0 335.517 2.586 20 10 EFCDRO COC[C@H]1CC[N@H+](Cc2cc(Br)c(OC)cc2O)C1 ZINC001233134657 1312863048 /nfs/dbraw/zinc/86/30/48/1312863048.db2.gz AMLFXVMPGJGPRS-JTQLQIEISA-N 1 0 330.222 2.632 20 10 EFCDRO COc1cc(O)c(C[NH+]2CC([C@@H](C)OC)C2)cc1Br ZINC001233141090 1312864576 /nfs/dbraw/zinc/86/45/76/1312864576.db2.gz DXBIZGJUCCSWPM-SECBINFHSA-N 1 0 330.222 2.630 20 10 EFCDRO COc1cc(O)c(C[NH+]2CC([C@H](C)OC)C2)cc1Br ZINC001233141091 1312864754 /nfs/dbraw/zinc/86/47/54/1312864754.db2.gz DXBIZGJUCCSWPM-VIFPVBQESA-N 1 0 330.222 2.630 20 10 EFCDRO CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000127223257 1291726869 /nfs/dbraw/zinc/72/68/69/1291726869.db2.gz VRTOSCRBXFCDDU-IAGOWNOFSA-N 1 0 347.503 2.648 20 10 EFCDRO C[C@H]([NH2+]CC(=O)N1CCCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000775254212 1291727318 /nfs/dbraw/zinc/72/73/18/1291727318.db2.gz IVPXONVCHRJFPT-KRWDZBQOSA-N 1 0 345.487 2.576 20 10 EFCDRO CCCCCCNC(=O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775260912 1291744480 /nfs/dbraw/zinc/74/44/80/1291744480.db2.gz RHNWIZRHLIILOW-QGZVFWFLSA-N 1 0 347.503 2.870 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)c2ccccc2n1C ZINC001233270096 1312888943 /nfs/dbraw/zinc/88/89/43/1312888943.db2.gz ACVOHGLZIAZCOL-VBKZILBWSA-N 1 0 344.455 2.948 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c2ccccc2n1C ZINC001233270320 1312889867 /nfs/dbraw/zinc/88/98/67/1312889867.db2.gz JFKSPMUTGNQUQJ-KBPBESRZSA-N 1 0 330.428 2.558 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c2ccccc2n1C ZINC001233270772 1312890235 /nfs/dbraw/zinc/89/02/35/1312890235.db2.gz ZWBGCGCYJWXQIC-CABCVRRESA-N 1 0 342.439 2.823 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCCC[C@H](O)C2)c2ccccc2n1C ZINC001233270556 1312890312 /nfs/dbraw/zinc/89/03/12/1312890312.db2.gz RPAGDAIENCPHCM-AWEZNQCLSA-N 1 0 330.428 2.702 20 10 EFCDRO CCOC(=O)c1c(CN2CC[C@@]23CCOC3)c2ccccc2n1C ZINC001233272889 1312891048 /nfs/dbraw/zinc/89/10/48/1312891048.db2.gz GEHVUVABVQDJMU-IBGZPJMESA-N 1 0 328.412 2.720 20 10 EFCDRO CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286865 1312895456 /nfs/dbraw/zinc/89/54/56/1312895456.db2.gz MAGWPJOSBFQFJO-QGZVFWFLSA-N 1 0 348.487 2.807 20 10 EFCDRO CC(C)(C)c1ccc(O)c(CN2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001233285852 1312895594 /nfs/dbraw/zinc/89/55/94/1312895594.db2.gz VMYHKEJYZHHSJA-KDURUIRLSA-N 1 0 344.499 2.985 20 10 EFCDRO COCCCC[NH+]1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC001233290931 1312896096 /nfs/dbraw/zinc/89/60/96/1312896096.db2.gz DJDMFUZTVYOROO-UHFFFAOYSA-N 1 0 342.867 2.598 20 10 EFCDRO COC1CCN(c2ccc(C[N@H+](C)Cc3c[nH]nc3C)cc2)CC1 ZINC000879188073 1292009082 /nfs/dbraw/zinc/00/90/82/1292009082.db2.gz GWCPNGJIJWQCRW-UHFFFAOYSA-N 1 0 328.460 2.965 20 10 EFCDRO COC(=O)C1(C)CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC001233289726 1312896220 /nfs/dbraw/zinc/89/62/20/1312896220.db2.gz KKNQZHOVBCZNSK-UHFFFAOYSA-N 1 0 327.808 2.829 20 10 EFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC001233290904 1312896607 /nfs/dbraw/zinc/89/66/07/1312896607.db2.gz CHZLGLCNDXMXHK-NSHDSACASA-N 1 0 327.808 2.829 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](Oc3nccc(C)n3)C2)c1O ZINC001233291023 1312896843 /nfs/dbraw/zinc/89/68/43/1312896843.db2.gz HVCKCLYPEXYTPD-AWEZNQCLSA-N 1 0 349.818 2.806 20 10 EFCDRO CC[NH+](CC)C[C@H]1CN(Cc2cc(Cl)cc(OC)c2O)CCO1 ZINC001233291330 1312897547 /nfs/dbraw/zinc/89/75/47/1312897547.db2.gz WEUQHUSVJWQIBI-HNNXBMFYSA-N 1 0 342.867 2.597 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](Oc3cnccn3)C2)c1O ZINC001233291276 1312897639 /nfs/dbraw/zinc/89/76/39/1312897639.db2.gz UBHPKLBRZTUFKV-CQSZACIVSA-N 1 0 349.818 2.888 20 10 EFCDRO Oc1ccc(F)c(F)c1CN1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001233335061 1312906314 /nfs/dbraw/zinc/90/63/14/1312906314.db2.gz GBXDUWFDLQITMS-UHFFFAOYSA-N 1 0 330.378 2.988 20 10 EFCDRO COc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879648723 1292217597 /nfs/dbraw/zinc/21/75/97/1292217597.db2.gz AUUFCQZLDDEGIZ-KGLIPLIRSA-N 1 0 328.412 2.756 20 10 EFCDRO COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879647994 1292217705 /nfs/dbraw/zinc/21/77/05/1292217705.db2.gz VCXPMPLILLQJJI-ZIAGYGMSSA-N 1 0 328.412 2.929 20 10 EFCDRO COc1ccccc1COC[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648955 1292217760 /nfs/dbraw/zinc/21/77/60/1292217760.db2.gz HEOKWHQYEBTBPF-ZBFHGGJFSA-N 1 0 331.412 2.629 20 10 EFCDRO Cc1cccc(OCCNC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879648927 1292218031 /nfs/dbraw/zinc/21/80/31/1292218031.db2.gz GLDJPNOYZORGIN-HZPDHXFCSA-N 1 0 342.439 2.935 20 10 EFCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000879648944 1292218538 /nfs/dbraw/zinc/21/85/38/1292218538.db2.gz HDOMDTPQKGICIL-VXGBXAGGSA-N 1 0 328.368 2.799 20 10 EFCDRO C[C@@H]([NH2+]C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000879649159 1292218655 /nfs/dbraw/zinc/21/86/55/1292218655.db2.gz JWDOEGNDDCBANO-FZKQIMNGSA-N 1 0 338.448 2.661 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1O ZINC000879648337 1292218737 /nfs/dbraw/zinc/21/87/37/1292218737.db2.gz KJVRLJUEHSLKRL-GFCCVEGCSA-N 1 0 341.367 2.540 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)c1ccccc1O ZINC000879648220 1292218898 /nfs/dbraw/zinc/21/88/98/1292218898.db2.gz FISGCTKIWDESEI-ZIAGYGMSSA-N 1 0 326.396 2.964 20 10 EFCDRO Cc1cccc(C)c1OCCNC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648577 1292219052 /nfs/dbraw/zinc/21/90/52/1292219052.db2.gz UROSXNMAHGKZAV-MRXNPFEDSA-N 1 0 342.439 2.855 20 10 EFCDRO CC[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccccc1O ZINC000775410919 1292303595 /nfs/dbraw/zinc/30/35/95/1292303595.db2.gz CJXLRNQAXWKCHT-KRWDZBQOSA-N 1 0 349.452 2.915 20 10 EFCDRO CN(C)c1ccc(CNC(=O)Nc2cc(C[NH+](C)C)ccn2)cc1 ZINC000880595019 1292552728 /nfs/dbraw/zinc/55/27/28/1292552728.db2.gz KILSJAWUOPNOBN-UHFFFAOYSA-N 1 0 327.432 2.531 20 10 EFCDRO CC[N@H+](CCN1CCOCC1)Cc1ccc(C(F)(F)F)cc1O ZINC001233454875 1312934830 /nfs/dbraw/zinc/93/48/30/1312934830.db2.gz NFUOLCMUFYSWET-UHFFFAOYSA-N 1 0 332.366 2.565 20 10 EFCDRO O=C1NCCC2(CC[NH+](Cc3ccc(C(F)(F)F)cc3O)CC2)O1 ZINC001233454615 1312935068 /nfs/dbraw/zinc/93/50/68/1312935068.db2.gz BZQFMLUHBXWLJT-UHFFFAOYSA-N 1 0 344.333 2.876 20 10 EFCDRO COC[C@]12COC[C@H]1C[N@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233453907 1312935162 /nfs/dbraw/zinc/93/51/62/1312935162.db2.gz YIYNZSZCJUZWGO-UKRRQHHQSA-N 1 0 331.334 2.506 20 10 EFCDRO CN1CC2(CC1=O)CC[NH+](Cc1ccc(C(F)(F)F)cc1O)CC2 ZINC001233455773 1312935839 /nfs/dbraw/zinc/93/58/39/1312935839.db2.gz YAMCGLZRHSRMAC-UHFFFAOYSA-N 1 0 342.361 2.855 20 10 EFCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC001233455218 1312936354 /nfs/dbraw/zinc/93/63/54/1312936354.db2.gz BBYJUWSTSGZHGI-ZDUSSCGKSA-N 1 0 326.322 2.840 20 10 EFCDRO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001203498239 1312939277 /nfs/dbraw/zinc/93/92/77/1312939277.db2.gz HRBZKKKKMSZHJR-UHFFFAOYSA-N 1 0 329.396 2.976 20 10 EFCDRO COc1ccccc1O[C@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485142 1312939296 /nfs/dbraw/zinc/93/92/96/1312939296.db2.gz KMMKUGFDZCLTSR-AWEZNQCLSA-N 1 0 345.395 2.855 20 10 EFCDRO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1cc(O)c(O)cc1O ZINC001233482755 1312939337 /nfs/dbraw/zinc/93/93/37/1312939337.db2.gz AZESTAGHEVCOJM-UHFFFAOYSA-N 1 0 345.395 2.759 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1O ZINC001233482636 1312939348 /nfs/dbraw/zinc/93/93/48/1312939348.db2.gz VZHTYSBSAWLXIE-UHFFFAOYSA-N 1 0 334.803 2.779 20 10 EFCDRO CCOC(=O)[C@H]1C[N@H+](Cc2cc(O)c(O)cc2O)C[C@H]2CCCC[C@@H]12 ZINC001233483930 1312939390 /nfs/dbraw/zinc/93/93/90/1312939390.db2.gz RJBGKJKLAWCBET-YUELXQCFSA-N 1 0 349.427 2.605 20 10 EFCDRO C[C@@H]1CN(Cc2ccc(F)cc2)CCN1Cc1cc(O)c(O)cc1O ZINC001233482222 1312939413 /nfs/dbraw/zinc/93/94/13/1312939413.db2.gz FVRSQAVDGPKJKI-CYBMUJFWSA-N 1 0 346.402 2.649 20 10 EFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)[C@H]1c1ccccc1 ZINC001233484155 1312939487 /nfs/dbraw/zinc/93/94/87/1312939487.db2.gz ZSDFPJKAFCMEBO-KDOFPFPSSA-N 1 0 343.379 2.540 20 10 EFCDRO C[N@H+](CCc1cccc(C(F)(F)F)n1)Cc1cc(O)c(O)cc1O ZINC001233482263 1312939500 /nfs/dbraw/zinc/93/95/00/1312939500.db2.gz HAWOYTGGOOKDTM-UHFFFAOYSA-N 1 0 342.317 2.892 20 10 EFCDRO Oc1cc(O)c(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)cc1O ZINC001233484627 1312939905 /nfs/dbraw/zinc/93/99/05/1312939905.db2.gz RIXTVIUGACUQGH-FRIZHTMISA-N 1 0 333.428 2.831 20 10 EFCDRO C[N@H+](Cc1cc(O)c(O)cc1O)C1CCN(Cc2ccccc2)CC1 ZINC001233483078 1312940011 /nfs/dbraw/zinc/94/00/11/1312940011.db2.gz NBWVXYMXLJAHJL-UHFFFAOYSA-N 1 0 342.439 2.900 20 10 EFCDRO COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)Cc1cc(O)c(O)cc1O ZINC001233486755 1312940128 /nfs/dbraw/zinc/94/01/28/1312940128.db2.gz ALJHOTLSZZOOAR-CYBMUJFWSA-N 1 0 345.395 2.757 20 10 EFCDRO CCN(Cc1cc(O)c(O)cc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233485996 1312940485 /nfs/dbraw/zinc/94/04/85/1312940485.db2.gz TVXFDGYENQRCTP-QGZVFWFLSA-N 1 0 342.439 2.900 20 10 EFCDRO Cc1ccc(N2CC[NH+](Cc3cc(O)c(O)cc3O)CC2)c(C)c1 ZINC001233485881 1312940608 /nfs/dbraw/zinc/94/06/08/1312940608.db2.gz OODGDTVDLMUZHD-UHFFFAOYSA-N 1 0 328.412 2.742 20 10 EFCDRO CN(Cc1cc(O)c(O)cc1O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233486380 1312940698 /nfs/dbraw/zinc/94/06/98/1312940698.db2.gz LAKGLXVGMYITQS-MRXNPFEDSA-N 1 0 342.439 2.757 20 10 EFCDRO CN(Cc1cc(O)c(O)cc1O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001233487690 1312941680 /nfs/dbraw/zinc/94/16/80/1312941680.db2.gz OOEQRTGVZUDONS-KRWDZBQOSA-N 1 0 342.439 2.900 20 10 EFCDRO COC(=O)c1cccc([C@H]2CCC[N@@H+]2Cc2cc(O)c(O)cc2O)c1 ZINC001233487497 1312941760 /nfs/dbraw/zinc/94/17/60/1312941760.db2.gz GBZAMAHJISOERA-OAHLLOKOSA-N 1 0 343.379 2.927 20 10 EFCDRO CC[C@@H]([NH3+])c1cn(CC(=O)c2cc(C)n(-c3ccccc3)c2C)nn1 ZINC000880981748 1292709644 /nfs/dbraw/zinc/70/96/44/1292709644.db2.gz CJIRBNCXDCITRT-QGZVFWFLSA-N 1 0 337.427 2.978 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001203553052 1312955149 /nfs/dbraw/zinc/95/51/49/1312955149.db2.gz ZPCDOQKENSGGAZ-NLWGTHIKSA-N 1 0 340.423 2.988 20 10 EFCDRO CN1C[C@@H]([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1=O ZINC000796284506 1292756535 /nfs/dbraw/zinc/75/65/35/1292756535.db2.gz RGGMBHUABIHCJS-IBGZPJMESA-N 1 0 335.451 2.570 20 10 EFCDRO CCOC(=O)c1nc2c(s1)CC[N@H+](Cc1ccccc1O)CC2 ZINC001203550504 1312953320 /nfs/dbraw/zinc/95/33/20/1312953320.db2.gz WNZBNLKTDLQKLX-UHFFFAOYSA-N 1 0 332.425 2.626 20 10 EFCDRO O=C1[C@H]2C[N@H+](Cc3ccccc3O)C[C@@H]2CN1Cc1cccc(F)c1 ZINC001203551816 1312953987 /nfs/dbraw/zinc/95/39/87/1312953987.db2.gz PBPWWKJDVRYMIS-AEFFLSMTSA-N 1 0 340.398 2.622 20 10 EFCDRO O=C(c1ccsc1)N1C[C@@H]2C[N@H+](Cc3ccccc3O)C[C@@H]2C1 ZINC001203552697 1312954001 /nfs/dbraw/zinc/95/40/01/1312954001.db2.gz QSBYSPUYSFNZCH-IYBDPMFKSA-N 1 0 328.437 2.658 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001203552927 1312955291 /nfs/dbraw/zinc/95/52/91/1312955291.db2.gz VQTYCCBTSRFULD-MJGOQNOKSA-N 1 0 342.414 2.869 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001203552240 1312954438 /nfs/dbraw/zinc/95/44/38/1312954438.db2.gz GADMBYIATGWHEB-GDBMZVCRSA-N 1 0 329.469 2.945 20 10 EFCDRO O=C(c1ccsc1)N1C[C@H]2C[NH+](Cc3ccccc3O)C[C@@H]2C1 ZINC001203552696 1312954672 /nfs/dbraw/zinc/95/46/72/1312954672.db2.gz QSBYSPUYSFNZCH-HZPDHXFCSA-N 1 0 328.437 2.658 20 10 EFCDRO CC[C@@](C)([NH3+])c1cn(Cc2ccc(N3CCC(OC)CC3)cc2)nn1 ZINC000881380046 1292866347 /nfs/dbraw/zinc/86/63/47/1292866347.db2.gz IZXGBKDJQFCXQU-LJQANCHMSA-N 1 0 343.475 2.526 20 10 EFCDRO COc1cccc(C[NH+]2CCN(c3noc4ccccc43)CC2)c1O ZINC001203584918 1312962964 /nfs/dbraw/zinc/96/29/64/1312962964.db2.gz JVLUXPLGDMTOID-UHFFFAOYSA-N 1 0 339.395 2.864 20 10 EFCDRO COc1cccc(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)c1O ZINC001203592083 1312964863 /nfs/dbraw/zinc/96/48/63/1312964863.db2.gz CCAIQMAFUDKCOO-PHZGNYQRSA-N 1 0 344.455 2.528 20 10 EFCDRO COc1cccc(C[N@@H+]2CCCC23CN(C(=O)OC(C)(C)C)C3)c1O ZINC001203589999 1312965046 /nfs/dbraw/zinc/96/50/46/1312965046.db2.gz QCZZMMWPNGNWBQ-UHFFFAOYSA-N 1 0 348.443 2.986 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)c1O ZINC001203590010 1312965066 /nfs/dbraw/zinc/96/50/66/1312965066.db2.gz QLSLWCYBJXBPKI-HUUCEWRRSA-N 1 0 348.443 2.842 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@H]3O[C@H](c4nc(C)no4)CC[C@H]32)c1O ZINC001203591581 1312965416 /nfs/dbraw/zinc/96/54/16/1312965416.db2.gz JQIQEFMAXFSURK-FMKPAKJESA-N 1 0 345.399 2.587 20 10 EFCDRO COc1cccc(C[NH+]2CCC3(CC(N4CCCC4)=NO3)CC2)c1O ZINC001203592044 1312965532 /nfs/dbraw/zinc/96/55/32/1312965532.db2.gz AYMDCIPBOSWUPO-UHFFFAOYSA-N 1 0 345.443 2.565 20 10 EFCDRO COc1cccc(C[NH+]2CCC(Oc3cc(Cl)ncn3)CC2)c1O ZINC001203595525 1312966326 /nfs/dbraw/zinc/96/63/26/1312966326.db2.gz HDXCELGDZAMQEG-UHFFFAOYSA-N 1 0 349.818 2.888 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@H](Oc3nccc(C)n3)C2)c1O ZINC001203601567 1312967660 /nfs/dbraw/zinc/96/76/60/1312967660.db2.gz ANRIETHDWNIMPX-HNNXBMFYSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@@H](Oc3ncc(C)cn3)C2)c1O ZINC001203601904 1312968346 /nfs/dbraw/zinc/96/83/46/1312968346.db2.gz QECMZBUHJSYRHE-OAHLLOKOSA-N 1 0 329.400 2.543 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC34CCCC4)cc2)CC1 ZINC000881851425 1293028199 /nfs/dbraw/zinc/02/81/99/1293028199.db2.gz UIGCYMUBURAJRU-SFHVURJKSA-N 1 0 327.472 2.635 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccoc3Cl)cc2)CC1 ZINC000881853958 1293030027 /nfs/dbraw/zinc/03/00/27/1293030027.db2.gz PQLRFTBTYJRNFQ-UHFFFAOYSA-N 1 0 333.819 2.615 20 10 EFCDRO CCc1occc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853968 1293030176 /nfs/dbraw/zinc/03/01/76/1293030176.db2.gz PUPRWOJOVBPDQI-UHFFFAOYSA-N 1 0 327.428 2.524 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@]3(C)CC=CCC3)cc2)CC1 ZINC000881853475 1293030393 /nfs/dbraw/zinc/03/03/93/1293030393.db2.gz XQFWLNSTFVGFAD-FQEVSTJZSA-N 1 0 327.472 2.801 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3C=CCCC3)cc2)CC1 ZINC000881853624 1293031153 /nfs/dbraw/zinc/03/11/53/1293031153.db2.gz CPEQEHPJQRXKNB-QGZVFWFLSA-N 1 0 327.472 2.801 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC(N3CC(F)(F)C3)CC2)c1O ZINC001203614106 1312971437 /nfs/dbraw/zinc/97/14/37/1312971437.db2.gz OXLKKDXKAMLUKQ-UHFFFAOYSA-N 1 0 326.387 2.706 20 10 EFCDRO C/C(=C\C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccco1 ZINC000881855657 1293032432 /nfs/dbraw/zinc/03/24/32/1293032432.db2.gz ZTXDFLVBTDXRFW-JQIJEIRASA-N 1 0 339.439 2.751 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3cccc(OC)n3)C2)c1O ZINC001203617199 1312972343 /nfs/dbraw/zinc/97/23/43/1312972343.db2.gz LPMDAWFFQRFGNX-OAHLLOKOSA-N 1 0 344.411 2.848 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC(Oc3cc(C)ncn3)CC2)c1O ZINC001203617317 1312972462 /nfs/dbraw/zinc/97/24/62/1312972462.db2.gz NATUXMAOTVVASS-UHFFFAOYSA-N 1 0 343.427 2.933 20 10 EFCDRO COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c(O)c1 ZINC001203621878 1312972824 /nfs/dbraw/zinc/97/28/24/1312972824.db2.gz JGLLKJZTFMYQCB-GOEBONIOSA-N 1 0 348.443 2.842 20 10 EFCDRO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001203622149 1312973131 /nfs/dbraw/zinc/97/31/31/1312973131.db2.gz QVHZJAKHGYMJQW-KBPBESRZSA-N 1 0 334.416 2.594 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c(O)c1 ZINC001203623779 1312974562 /nfs/dbraw/zinc/97/45/62/1312974562.db2.gz WIGZVSUIYMJFAZ-JKSUJKDBSA-N 1 0 344.436 2.842 20 10 EFCDRO COc1ccc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c(O)c1 ZINC001203628877 1312975547 /nfs/dbraw/zinc/97/55/47/1312975547.db2.gz JCPLHKSIQRGNEK-HNNXBMFYSA-N 1 0 333.350 2.926 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001203629975 1312975745 /nfs/dbraw/zinc/97/57/45/1312975745.db2.gz PMDBLWBOKBUKRZ-IEBWSBKVSA-N 1 0 333.428 2.561 20 10 EFCDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Br)ccc2O)C1 ZINC001203636570 1312977200 /nfs/dbraw/zinc/97/72/00/1312977200.db2.gz XOPCMLJBRPGHHN-GHMZBOCLSA-N 1 0 342.233 2.928 20 10 EFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC001203648274 1312980005 /nfs/dbraw/zinc/98/00/05/1312980005.db2.gz HXHVJTGFYQCBRU-NSHDSACASA-N 1 0 342.233 2.930 20 10 EFCDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc(Br)ccc3O)C[C@@H]21 ZINC001203650207 1312980148 /nfs/dbraw/zinc/98/01/48/1312980148.db2.gz NEERPQHRASBWQE-FZMZJTMJSA-N 1 0 325.250 2.681 20 10 EFCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CC12CC2 ZINC001203648614 1312980157 /nfs/dbraw/zinc/98/01/57/1312980157.db2.gz OBTHMQCBIQDFCM-GFCCVEGCSA-N 1 0 340.217 2.540 20 10 EFCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(Br)ccc3O)C[C@H]21 ZINC001203650206 1312980420 /nfs/dbraw/zinc/98/04/20/1312980420.db2.gz NEERPQHRASBWQE-BXUZGUMPSA-N 1 0 325.250 2.681 20 10 EFCDRO O=C1CC[C@@]2(CCC[N@@H+](Cc3cc(Br)ccc3O)C2)O1 ZINC001203649806 1312980579 /nfs/dbraw/zinc/98/05/79/1312980579.db2.gz HFZZBYMWGLDAHV-OAHLLOKOSA-N 1 0 340.217 2.826 20 10 EFCDRO CCC[NH+]1C[C@@H]2CN(Cc3cc(Br)ccc3O)C[C@H]2C1 ZINC001203650619 1312980995 /nfs/dbraw/zinc/98/09/95/1312980995.db2.gz YAWTTYCXORBDHO-ZIAGYGMSSA-N 1 0 339.277 2.928 20 10 EFCDRO Oc1ccc(Cl)cc1CN1CC[NH+](CCc2ccncc2)CC1 ZINC001203658484 1312982392 /nfs/dbraw/zinc/98/23/92/1312982392.db2.gz XVFPFWLDYVGQBS-UHFFFAOYSA-N 1 0 331.847 2.801 20 10 EFCDRO COc1ccnc(O[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC001203665636 1312984466 /nfs/dbraw/zinc/98/44/66/1312984466.db2.gz QPKHPGQHPSAQDF-CQSZACIVSA-N 1 0 349.818 2.888 20 10 EFCDRO Oc1c(CN2CCC[N@@H+]3CCC[C@H]3C2)cccc1OC(F)(F)F ZINC001233754716 1312984496 /nfs/dbraw/zinc/98/44/96/1312984496.db2.gz JIBNERPERGCMFH-ZDUSSCGKSA-N 1 0 330.350 2.961 20 10 EFCDRO Oc1c(CN2CCC[N@@H+]3CCC[C@@H]3C2)cccc1OC(F)(F)F ZINC001233754715 1312984511 /nfs/dbraw/zinc/98/45/11/1312984511.db2.gz JIBNERPERGCMFH-CYBMUJFWSA-N 1 0 330.350 2.961 20 10 EFCDRO CCC(=O)NC1CC[NH+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233754207 1312984517 /nfs/dbraw/zinc/98/45/17/1312984517.db2.gz AFZDJJVWPPKBRD-UHFFFAOYSA-N 1 0 346.349 2.781 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)c1 ZINC001203670285 1312985418 /nfs/dbraw/zinc/98/54/18/1312985418.db2.gz MKZWYKBHISVBTQ-KBPBESRZSA-N 1 0 337.313 2.628 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCCN(Cc3ccncc3)CC2)c1 ZINC001203669626 1312985477 /nfs/dbraw/zinc/98/54/77/1312985477.db2.gz GOFLJHCYCHGEIC-UHFFFAOYSA-N 1 0 327.428 2.504 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c1 ZINC001203671068 1312985588 /nfs/dbraw/zinc/98/55/88/1312985588.db2.gz IPTAEAPAQHYYFI-GOEBONIOSA-N 1 0 348.443 2.842 20 10 EFCDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233760580 1312986231 /nfs/dbraw/zinc/98/62/31/1312986231.db2.gz HYTVBIDVTKLJQD-PWSUYJOCSA-N 1 0 347.333 2.922 20 10 EFCDRO Oc1c(CN2CC([NH+]3CCCCC3)C2)cccc1OC(F)(F)F ZINC001233760585 1312986238 /nfs/dbraw/zinc/98/62/38/1312986238.db2.gz ICVNDNPGLGPWIR-UHFFFAOYSA-N 1 0 330.350 2.961 20 10 EFCDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233760577 1312986433 /nfs/dbraw/zinc/98/64/33/1312986433.db2.gz HYTVBIDVTKLJQD-CMPLNLGQSA-N 1 0 347.333 2.922 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)c1 ZINC001203672820 1312986503 /nfs/dbraw/zinc/98/65/03/1312986503.db2.gz FGDABFAUBZKXLQ-QWFCFKBJSA-N 1 0 347.455 2.949 20 10 EFCDRO COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(OC)ccc1O)C2 ZINC001203673464 1312986567 /nfs/dbraw/zinc/98/65/67/1312986567.db2.gz ZQXQKPMVFXBVNK-DNVCBOLYSA-N 1 0 335.444 2.808 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC001203673085 1312986599 /nfs/dbraw/zinc/98/65/99/1312986599.db2.gz MFYWSKDQSXQLHE-FQEVSTJZSA-N 1 0 344.455 2.625 20 10 EFCDRO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(OC)ccc1O)C2 ZINC001203673466 1312986640 /nfs/dbraw/zinc/98/66/40/1312986640.db2.gz ZQXQKPMVFXBVNK-KXBFYZLASA-N 1 0 335.444 2.808 20 10 EFCDRO O=C1CC[C@]2(CCC[N@@H+](Cc3cccc(OC(F)(F)F)c3O)C2)O1 ZINC001233768525 1312987990 /nfs/dbraw/zinc/98/79/90/1312987990.db2.gz SVRGHAZADAPTEC-HNNXBMFYSA-N 1 0 345.317 2.962 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCN(c3cc(Cl)ccn3)CC2)c1 ZINC001203677995 1312988158 /nfs/dbraw/zinc/98/81/58/1312988158.db2.gz DUTZBHNNBZKVKC-UHFFFAOYSA-N 1 0 333.819 2.771 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCCN(c3cccc(C)n3)CC2)c1 ZINC001203680399 1312989057 /nfs/dbraw/zinc/98/90/57/1312989057.db2.gz UKDUILMQZRYZQX-UHFFFAOYSA-N 1 0 327.428 2.817 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(Oc3nccc(C)n3)CC2)c1 ZINC001203681038 1312989212 /nfs/dbraw/zinc/98/92/12/1312989212.db2.gz MJYJPIVKOLQZBC-UHFFFAOYSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1ccc(O)c(C[N@H+](C2CC2)C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC001203680075 1312989295 /nfs/dbraw/zinc/98/92/95/1312989295.db2.gz CJUIPYHRVRRFKS-UHFFFAOYSA-N 1 0 348.443 2.985 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](Oc3nccc(C)n3)C2)c1 ZINC001203684312 1312989589 /nfs/dbraw/zinc/98/95/89/1312989589.db2.gz QRFMKQIOTPWWOS-MRXNPFEDSA-N 1 0 329.400 2.543 20 10 EFCDRO CC(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233776458 1312990247 /nfs/dbraw/zinc/99/02/47/1312990247.db2.gz SVHKRVNHZAZTSM-ZDUSSCGKSA-N 1 0 346.349 2.734 20 10 EFCDRO CC(C)c1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncn1 ZINC000882880447 1293367064 /nfs/dbraw/zinc/36/70/64/1293367064.db2.gz SSKOMTCMUYWNCE-UHFFFAOYSA-N 1 0 325.460 2.964 20 10 EFCDRO CCc1ncnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1F ZINC000882880140 1293367279 /nfs/dbraw/zinc/36/72/79/1293367279.db2.gz DBHDNKQOIYRACA-UHFFFAOYSA-N 1 0 329.423 2.542 20 10 EFCDRO CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@H](C)C1 ZINC000883003159 1293424059 /nfs/dbraw/zinc/42/40/59/1293424059.db2.gz BCFAZLDMHLLXNW-DYVFJYSZSA-N 1 0 342.430 2.897 20 10 EFCDRO CCCCOC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001193715778 1293424882 /nfs/dbraw/zinc/42/48/82/1293424882.db2.gz QGQKWNQCBGGNMB-UHFFFAOYSA-N 1 0 349.475 2.734 20 10 EFCDRO [O-]c1c(F)cc(F)cc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000883049066 1293442535 /nfs/dbraw/zinc/44/25/35/1293442535.db2.gz CIINWIHBVDUHCI-IAGOWNOFSA-N 1 0 340.414 2.528 20 10 EFCDRO CCOC(=O)N(C)C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000130842529 1293443313 /nfs/dbraw/zinc/44/33/13/1293443313.db2.gz NCUUFGYTOQOPAR-UHFFFAOYSA-N 1 0 337.439 2.944 20 10 EFCDRO CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)cc(O)cc1O ZINC001273670357 1293515710 /nfs/dbraw/zinc/51/57/10/1293515710.db2.gz JKHOZMPYFPPGJM-LJQANCHMSA-N 1 0 348.443 2.561 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(N3CCNC3=O)cc2)c1O ZINC000883287498 1293531909 /nfs/dbraw/zinc/53/19/09/1293531909.db2.gz WQEOOOXNBOAYEU-CYBMUJFWSA-N 1 0 341.411 2.781 20 10 EFCDRO C[N@H+](C/C=C/Cl)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194374049 1293602423 /nfs/dbraw/zinc/60/24/23/1293602423.db2.gz BKPJNSXHTMVMOZ-XEBASZHOSA-N 1 0 349.822 2.748 20 10 EFCDRO C[NH+](C)CC1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000132796189 1293708230 /nfs/dbraw/zinc/70/82/30/1293708230.db2.gz GYWLJRTXFUXVCY-UHFFFAOYSA-N 1 0 327.266 2.928 20 10 EFCDRO O=c1cc2[nH]cnc(O[C@H]3CC[N@H+](Cc4ccccc4)C3)c-2cc1O ZINC001233949245 1313024531 /nfs/dbraw/zinc/02/45/31/1313024531.db2.gz AUZVYCIEAVZANV-AWEZNQCLSA-N 1 0 337.379 2.694 20 10 EFCDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc[nH]c3cc(=O)c(O)cc1-3)C2 ZINC001233947862 1313023927 /nfs/dbraw/zinc/02/39/27/1313023927.db2.gz AOQDXFKZQHZGBE-ITGUQSILSA-N 1 0 329.400 2.824 20 10 EFCDRO CC(C)c1scnc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000884009825 1293872511 /nfs/dbraw/zinc/87/25/11/1293872511.db2.gz JBNLYRUOUISTQI-AWEZNQCLSA-N 1 0 332.473 2.762 20 10 EFCDRO N=c1cc(C[NH3+])ncn1C(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195278472 1293873531 /nfs/dbraw/zinc/87/35/31/1293873531.db2.gz GQRWOZYSJKALHJ-UKLSTIIHSA-N 1 0 348.366 2.631 20 10 EFCDRO CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001203875620 1313038415 /nfs/dbraw/zinc/03/84/15/1313038415.db2.gz RZPJSKYOFUNJDR-HUUCEWRRSA-N 1 0 348.443 2.787 20 10 EFCDRO C[N@H+](Cc1ccc(O)c(O)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001203877972 1313039389 /nfs/dbraw/zinc/03/93/89/1313039389.db2.gz MIEJOKUGGBKUHD-UHFFFAOYSA-N 1 0 336.432 2.929 20 10 EFCDRO CCC[C@@H](COC)[N@H+](CCC(=O)OCC)Cc1ccc(O)c(O)c1 ZINC001203878778 1313039639 /nfs/dbraw/zinc/03/96/39/1313039639.db2.gz BPEIDYCYUFYNHT-HNNXBMFYSA-N 1 0 339.432 2.668 20 10 EFCDRO O=C1CC2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)c2ccccc2N1 ZINC001203879659 1313039846 /nfs/dbraw/zinc/03/98/46/1313039846.db2.gz WXQLFZXIKOHWLZ-UHFFFAOYSA-N 1 0 338.407 2.974 20 10 EFCDRO CCC[NH+](CCC)CCCN1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203881042 1313040292 /nfs/dbraw/zinc/04/02/92/1313040292.db2.gz KXYCTSNKPRQAGF-UHFFFAOYSA-N 1 0 349.519 2.728 20 10 EFCDRO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203883056 1313040499 /nfs/dbraw/zinc/04/04/99/1313040499.db2.gz CXWXZIJDWBESDD-GOSISDBHSA-N 1 0 336.432 2.835 20 10 EFCDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@@H]12 ZINC001203883642 1313040510 /nfs/dbraw/zinc/04/05/10/1313040510.db2.gz LDXROIWQYJCUAU-RBSFLKMASA-N 1 0 348.443 2.833 20 10 EFCDRO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001203882225 1313040893 /nfs/dbraw/zinc/04/08/93/1313040893.db2.gz GKVTZFCHYYZIPJ-AWEZNQCLSA-N 1 0 336.432 2.977 20 10 EFCDRO CN(C)c1ccc(C[NH+]2C[C@H]3CN(C(=O)c4ccco4)C[C@@H]3C2)cc1 ZINC001203932255 1313049784 /nfs/dbraw/zinc/04/97/84/1313049784.db2.gz XDGBKDJXRCLKCO-IRXDYDNUSA-N 1 0 339.439 2.550 20 10 EFCDRO C[NH2+][C@@H](CC(C)C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000884305115 1294088710 /nfs/dbraw/zinc/08/87/10/1294088710.db2.gz MGSGRGLUXBNCLH-IRXDYDNUSA-N 1 0 334.460 2.534 20 10 EFCDRO CC(C)C(=O)N1CCC[C@@]12CC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001203932696 1313050463 /nfs/dbraw/zinc/05/04/63/1313050463.db2.gz ADZYTXYERNOKKP-FQEVSTJZSA-N 1 0 329.488 2.976 20 10 EFCDRO CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(N(C)C)cc3)CC[C@H]21 ZINC001203932991 1313050932 /nfs/dbraw/zinc/05/09/32/1313050932.db2.gz FNQKEGQIFRBUOB-PKOBYXMFSA-N 1 0 329.488 2.831 20 10 EFCDRO COc1cccnc1O[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203935402 1313051051 /nfs/dbraw/zinc/05/10/51/1313051051.db2.gz GTMFGAMSKYUBHT-QGZVFWFLSA-N 1 0 327.428 2.810 20 10 EFCDRO COc1cccnc1O[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203935398 1313051085 /nfs/dbraw/zinc/05/10/85/1313051085.db2.gz GTMFGAMSKYUBHT-KRWDZBQOSA-N 1 0 327.428 2.810 20 10 EFCDRO COc1cc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)ccn1 ZINC001203937309 1313051574 /nfs/dbraw/zinc/05/15/74/1313051574.db2.gz UOZPMPITHDBBPY-SFHVURJKSA-N 1 0 327.428 2.810 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCN(c3ccc(Cl)nn3)CC2)cc1 ZINC001203937814 1313052052 /nfs/dbraw/zinc/05/20/52/1313052052.db2.gz TXRYGHZOBROYOU-UHFFFAOYSA-N 1 0 331.851 2.518 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CC3(C2)CCOC[C@H]3C(=O)OC)cc1 ZINC001203942856 1313052198 /nfs/dbraw/zinc/05/21/98/1313052198.db2.gz VQVKJWYGRQMQGF-SFHVURJKSA-N 1 0 346.471 2.544 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CC2)CC(=O)NC(=O)C3)cc1 ZINC001203942903 1313052407 /nfs/dbraw/zinc/05/24/07/1313052407.db2.gz YAHSABHNZZUGGA-UHFFFAOYSA-N 1 0 343.471 2.552 20 10 EFCDRO CCN(CC)c1ccc(CN2CCO[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC001203946535 1313052491 /nfs/dbraw/zinc/05/24/91/1313052491.db2.gz UYBYXQKGRZMFSA-FQEVSTJZSA-N 1 0 331.504 2.829 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)cc1 ZINC001203945819 1313052541 /nfs/dbraw/zinc/05/25/41/1313052541.db2.gz OKDKYHCBEDHSHW-HKUYNNGSSA-N 1 0 329.488 2.976 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)cc1 ZINC001203945826 1313053077 /nfs/dbraw/zinc/05/30/77/1313053077.db2.gz OKDKYHCBEDHSHW-MJGOQNOKSA-N 1 0 329.488 2.976 20 10 EFCDRO CCOC[C@H]1Cn2nccc2C[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203932787 1313050871 /nfs/dbraw/zinc/05/08/71/1313050871.db2.gz CRLXUTVCMCPAIX-QGZVFWFLSA-N 1 0 328.460 2.618 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCC([NH2+]C/C=C/Cl)CC2)cc1 ZINC001203999124 1313061972 /nfs/dbraw/zinc/06/19/72/1313061972.db2.gz MRUAAKDWLCKJQY-LPDFMGRNSA-N 1 0 349.822 2.796 20 10 EFCDRO COc1cc(Br)cc(CN2C[C@H](C)CC[C@H]2C[NH3+])c1O ZINC001205803272 1294515089 /nfs/dbraw/zinc/51/50/89/1294515089.db2.gz FKHFGBICUCFAQJ-MFKMUULPSA-N 1 0 343.265 2.723 20 10 EFCDRO Cc1cc(C(=O)NCc2c(C)cc(C)cc2O)nn1-c1cc[nH+]cc1 ZINC001197545285 1294601267 /nfs/dbraw/zinc/60/12/67/1294601267.db2.gz JEWDCGGCRZWOFL-UHFFFAOYSA-N 1 0 336.395 2.828 20 10 EFCDRO Cc1cccc([C@H](O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000136467997 1294615963 /nfs/dbraw/zinc/61/59/63/1294615963.db2.gz HSDGULGYWZTFBD-HXUWFJFHSA-N 1 0 326.440 2.655 20 10 EFCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CC3(CCN3Cc3cn[nH]c3)C2)c1 ZINC001276444021 1313089790 /nfs/dbraw/zinc/08/97/90/1313089790.db2.gz BSHXTJXCVQYVTB-UHFFFAOYSA-N 1 0 340.471 2.873 20 10 EFCDRO COCCOCN1CCC12C[NH+](Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001276446250 1313097081 /nfs/dbraw/zinc/09/70/81/1313097081.db2.gz VFTYQDBSQWTWBC-UHFFFAOYSA-N 1 0 348.487 2.570 20 10 EFCDRO CN1CCO[C@@]2(CCC[N@H+](Cc3cc(C(C)(C)C)ccc3O)C2)C1 ZINC001276445007 1313092681 /nfs/dbraw/zinc/09/26/81/1313092681.db2.gz JJJGXVGVHPBTDU-FQEVSTJZSA-N 1 0 332.488 2.986 20 10 EFCDRO CN(C)c1ccc(CN2CCOC[C@H]2C[NH+](C)C)c2ccccc21 ZINC001204239664 1313105864 /nfs/dbraw/zinc/10/58/64/1313105864.db2.gz BSKNUAIWLVOMQJ-QGZVFWFLSA-N 1 0 327.472 2.668 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c2ccccc21 ZINC001204236950 1313106086 /nfs/dbraw/zinc/10/60/86/1313106086.db2.gz YLPYVFRGKNHDJH-MRXNPFEDSA-N 1 0 330.472 2.860 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)c2ccccc21 ZINC001204241395 1313106943 /nfs/dbraw/zinc/10/69/43/1313106943.db2.gz GDEIULUXBONYPV-OAHLLOKOSA-N 1 0 332.469 2.525 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000775829915 1294921214 /nfs/dbraw/zinc/92/12/14/1294921214.db2.gz AUIPWPKHNHPQSV-PBHICJAKSA-N 1 0 332.419 2.982 20 10 EFCDRO CCOC[C@H]1COCCC12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204274816 1313113509 /nfs/dbraw/zinc/11/35/09/1313113509.db2.gz UCWMDTOWDZHWPY-INIZCTEOSA-N 1 0 335.444 2.753 20 10 EFCDRO O=C1OC2(CC[NH+](Cc3ccc(O)cc3O)CC2)c2ccccc21 ZINC001204274541 1313113564 /nfs/dbraw/zinc/11/35/64/1313113564.db2.gz DNOIJMPDHOVURS-UHFFFAOYSA-N 1 0 325.364 2.760 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(O)cc1O ZINC001204276568 1313114107 /nfs/dbraw/zinc/11/41/07/1313114107.db2.gz NIVUODRITAIBRI-GJZGRUSLSA-N 1 0 334.416 2.682 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C[N@@H+]2Cc2ccc(O)cc2O)C1 ZINC001204276084 1313114130 /nfs/dbraw/zinc/11/41/30/1313114130.db2.gz GAOGKCSYYXTRFA-ZFWWWQNUSA-N 1 0 334.416 2.539 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(O)cc3O)CC[C@H]21 ZINC001204276584 1313114202 /nfs/dbraw/zinc/11/42/02/1313114202.db2.gz NRLUFMQSCCJUGB-XJKSGUPXSA-N 1 0 348.443 2.929 20 10 EFCDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1Cc1ccc(O)cc1O ZINC001204276912 1313114270 /nfs/dbraw/zinc/11/42/70/1313114270.db2.gz UAXYGZSAWDTXNP-BETUJISGSA-N 1 0 336.432 2.928 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(O)cc1O ZINC001204275862 1313114396 /nfs/dbraw/zinc/11/43/96/1313114396.db2.gz ZZIYWRGJJNFBAL-UHFFFAOYSA-N 1 0 328.412 2.566 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[N@@H+]2Cc2ccc(O)cc2O)C1 ZINC001204276083 1313114447 /nfs/dbraw/zinc/11/44/47/1313114447.db2.gz GAOGKCSYYXTRFA-UKRRQHHQSA-N 1 0 334.416 2.539 20 10 EFCDRO C[C@@H]1C[N@@H+](Cc2ccc(O)cc2O)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001204278646 1313114835 /nfs/dbraw/zinc/11/48/35/1313114835.db2.gz GTTOWUKSFPPJIN-BETUJISGSA-N 1 0 336.432 2.928 20 10 EFCDRO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(O)cc1O ZINC001204279251 1313115295 /nfs/dbraw/zinc/11/52/95/1313115295.db2.gz UARJIFAEMSRONZ-OCCSQVGLSA-N 1 0 336.432 2.975 20 10 EFCDRO COc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775833723 1294963305 /nfs/dbraw/zinc/96/33/05/1294963305.db2.gz KYPJTWALPBCFFS-OAHLLOKOSA-N 1 0 341.455 2.728 20 10 EFCDRO CO[C@@H](CN1CC[NH+](Cc2ccc(O)cc2O)CC1)c1ccccc1 ZINC001204279656 1313116126 /nfs/dbraw/zinc/11/61/26/1313116126.db2.gz FHGIGLUBINNPBU-FQEVSTJZSA-N 1 0 342.439 2.603 20 10 EFCDRO CO[C@H](CN1CC[NH+](Cc2ccc(O)cc2O)CC1)c1ccccc1 ZINC001204279930 1313116518 /nfs/dbraw/zinc/11/65/18/1313116518.db2.gz FHGIGLUBINNPBU-HXUWFJFHSA-N 1 0 342.439 2.603 20 10 EFCDRO COc1cc(Br)cc(CN2CCC[C@H]2C[NH+](C)C)c1O ZINC001204339732 1313124757 /nfs/dbraw/zinc/12/47/57/1313124757.db2.gz QWHXGECDFVPFFZ-ZDUSSCGKSA-N 1 0 343.265 2.689 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCCC[C@@](C)(O)C2)c1O ZINC001204336226 1313124762 /nfs/dbraw/zinc/12/47/62/1313124762.db2.gz HNCYXDOQAVWXQG-OAHLLOKOSA-N 1 0 344.249 2.900 20 10 EFCDRO c1cc(N2CCCC2)ccc1C[NH+]1CCC(N2CCOCC2)CC1 ZINC001204320319 1313121809 /nfs/dbraw/zinc/12/18/09/1313121809.db2.gz SKDZDLILJZBYOH-UHFFFAOYSA-N 1 0 329.488 2.583 20 10 EFCDRO c1cnc(N2C[C@@H]3C[N@H+](Cc4ccc(N5CCCC5)cc4)C[C@@H]3C2)nc1 ZINC001204321967 1313122439 /nfs/dbraw/zinc/12/24/39/1313122439.db2.gz HMVYAFKQBHANTA-KDURUIRLSA-N 1 0 349.482 2.645 20 10 EFCDRO COc1ncnc2c1CC[N@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204322218 1313122554 /nfs/dbraw/zinc/12/25/54/1313122554.db2.gz JMUAZXWZXOUKFA-UHFFFAOYSA-N 1 0 338.455 2.686 20 10 EFCDRO O=C1CCC[C@]2(CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)N1 ZINC001204321962 1313122639 /nfs/dbraw/zinc/12/26/39/1313122639.db2.gz HMNJRNBJZYAZFB-HXUWFJFHSA-N 1 0 327.472 2.922 20 10 EFCDRO COCCCC[NH+]1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204329019 1313123228 /nfs/dbraw/zinc/12/32/28/1313123228.db2.gz BOMARUXRKBGKTO-UHFFFAOYSA-N 1 0 331.504 2.831 20 10 EFCDRO CC(C)NC(=O)N[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204329182 1313123330 /nfs/dbraw/zinc/12/33/30/1313123330.db2.gz FHRPWNYIJQBMCP-SFHVURJKSA-N 1 0 344.503 2.959 20 10 EFCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)CC[C@H]21 ZINC001204328985 1313123437 /nfs/dbraw/zinc/12/34/37/1313123437.db2.gz AFGCTQSXJSUNFE-IEBWSBKVSA-N 1 0 327.472 2.730 20 10 EFCDRO O=C1NCCC2(CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)O1 ZINC001204328833 1313123544 /nfs/dbraw/zinc/12/35/44/1313123544.db2.gz PAWYAPJMSMPYNS-UHFFFAOYSA-N 1 0 329.444 2.751 20 10 EFCDRO COCC[N@H+](Cc1ccc(N2CCCC2)cc1)C1CCN(C)CC1 ZINC001204327383 1313123548 /nfs/dbraw/zinc/12/35/48/1313123548.db2.gz RSJBVCVOEUJHTN-UHFFFAOYSA-N 1 0 331.504 2.829 20 10 EFCDRO Cc1cc(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)ncn1 ZINC001204329325 1313124075 /nfs/dbraw/zinc/12/40/75/1313124075.db2.gz MFEDYOHASONXIF-UHFFFAOYSA-N 1 0 337.471 2.707 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)c1O ZINC001204336484 1313124880 /nfs/dbraw/zinc/12/48/80/1313124880.db2.gz SIAOTSAJHVZTIO-GWCFXTLKSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(Br)cc(C[N@H+](C)C2CCOCC2)c1O ZINC001204336733 1313125266 /nfs/dbraw/zinc/12/52/66/1313125266.db2.gz WAVVOHBIGYOQFI-UHFFFAOYSA-N 1 0 330.222 2.774 20 10 EFCDRO COc1cc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)cc(O)c1O ZINC001204344160 1313126192 /nfs/dbraw/zinc/12/61/92/1313126192.db2.gz ZQRRDPMBFWXOHA-UHFFFAOYSA-N 1 0 342.439 2.733 20 10 EFCDRO COc1cc(CN2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)cc(O)c1O ZINC001204345235 1313126767 /nfs/dbraw/zinc/12/67/67/1313126767.db2.gz PVKLGIMQTLNEGF-IRXDYDNUSA-N 1 0 340.423 2.565 20 10 EFCDRO CCCc1noc([C@H]2CCC[N@H+](Cc3cc(O)c(O)c(OC)c3)C2)n1 ZINC001204346014 1313127262 /nfs/dbraw/zinc/12/72/62/1313127262.db2.gz JHMDLOZMIWSFIA-ZDUSSCGKSA-N 1 0 347.415 2.822 20 10 EFCDRO CCCCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(C)c1O)C2 ZINC001273769066 1295151822 /nfs/dbraw/zinc/15/18/22/1295151822.db2.gz GOQWPCXCNKNVOC-HXUWFJFHSA-N 1 0 346.471 2.552 20 10 EFCDRO CCCCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(C)c1O)C2 ZINC001273769065 1295152453 /nfs/dbraw/zinc/15/24/53/1295152453.db2.gz GOQWPCXCNKNVOC-FQEVSTJZSA-N 1 0 346.471 2.552 20 10 EFCDRO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(C)c1O ZINC001273770470 1295199147 /nfs/dbraw/zinc/19/91/47/1295199147.db2.gz RSUSBBJXUZJHTR-QRWLVFNGSA-N 1 0 344.455 2.635 20 10 EFCDRO CN1C(=O)C[C@@]2(CCC[N@H+](Cc3c(O)ccc4ccccc43)C2)C1=O ZINC001273770951 1295219712 /nfs/dbraw/zinc/21/97/12/1295219712.db2.gz XWIONEPMBVEADO-HXUWFJFHSA-N 1 0 338.407 2.516 20 10 EFCDRO COc1cc(C)cc(C[NH+]2CCC(C(=O)NCC(C)C)CC2)c1O ZINC000887560546 1295435420 /nfs/dbraw/zinc/43/54/20/1295435420.db2.gz VYCLCJBKOUNBQU-UHFFFAOYSA-N 1 0 334.460 2.693 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCN(C(C)=O)C[C@@H]3C)c2c1 ZINC001234562964 1313158728 /nfs/dbraw/zinc/15/87/28/1313158728.db2.gz YWTKQXQZGMCGMY-ZDUSSCGKSA-N 1 0 328.412 2.607 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCN(c3nccc(Cl)n3)CC2)cc1 ZINC001203933955 1295494294 /nfs/dbraw/zinc/49/42/94/1295494294.db2.gz IHBCOJKDEUSMOL-UHFFFAOYSA-N 1 0 331.851 2.518 20 10 EFCDRO CN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc4ccccc4c3O)C2)C1=O ZINC001274224553 1295595194 /nfs/dbraw/zinc/59/51/94/1295595194.db2.gz CFHFDSLOFSEBEY-HXUWFJFHSA-N 1 0 338.407 2.516 20 10 EFCDRO CN1C(=O)C[C@]2(CCC[N@H+](Cc3ccc4ccccc4c3O)C2)C1=O ZINC001274224552 1295596928 /nfs/dbraw/zinc/59/69/28/1295596928.db2.gz CFHFDSLOFSEBEY-FQEVSTJZSA-N 1 0 338.407 2.516 20 10 EFCDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000775992517 1295622602 /nfs/dbraw/zinc/62/26/02/1295622602.db2.gz HAMFGLQIBJADNR-MAUKXSAKSA-N 1 0 337.391 2.945 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)COc1ccc(F)cc1 ZINC001199688908 1295681818 /nfs/dbraw/zinc/68/18/18/1295681818.db2.gz JIGPSGYOTBPWPT-IBGZPJMESA-N 1 0 344.430 2.955 20 10 EFCDRO CCOC(=O)[C@H](Oc1ccc(N2CC[NH+](CC)CC2)cc1)C1CC1 ZINC001234660533 1313179382 /nfs/dbraw/zinc/17/93/82/1313179382.db2.gz IZQBOYLVWJBAJL-GOSISDBHSA-N 1 0 332.444 2.549 20 10 EFCDRO CC[NH+]1CCN(c2ccc(O[C@H]3CCC[C@H](C(=O)OC)C3)cc2)CC1 ZINC001234660377 1313179483 /nfs/dbraw/zinc/17/94/83/1313179483.db2.gz HFVZMJVVSDEQML-LPHOPBHVSA-N 1 0 346.471 2.939 20 10 EFCDRO CC[NH+]1CCN(c2ccc(OC3CCN(CCF)CC3)cc2)CC1 ZINC001234657740 1313179532 /nfs/dbraw/zinc/17/95/32/1313179532.db2.gz HDIBXEFVMROBCG-UHFFFAOYSA-N 1 0 335.467 2.641 20 10 EFCDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)[C@H]1C ZINC000889661018 1295792286 /nfs/dbraw/zinc/79/22/86/1295792286.db2.gz OQCPGLMVMPHCEP-IKGGRYGDSA-N 1 0 344.503 2.624 20 10 EFCDRO CC[C@@](C)(CCO)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000305049868 1295856003 /nfs/dbraw/zinc/85/60/03/1295856003.db2.gz GSFWXHYPQSBKJL-AWEZNQCLSA-N 1 0 332.238 2.804 20 10 EFCDRO CCC[NH+]1CCC(NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000305100664 1295910579 /nfs/dbraw/zinc/91/05/79/1295910579.db2.gz BBBMTRFUGIJEDZ-UHFFFAOYSA-N 1 0 349.494 2.751 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCN(c3cc(C)ccn3)CC2)c(O)c1 ZINC001204839837 1313202078 /nfs/dbraw/zinc/20/20/78/1313202078.db2.gz IUAUYHZRTXVXTF-UHFFFAOYSA-N 1 0 327.428 2.735 20 10 EFCDRO CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3c(C)cccc3O)C2)C1=O ZINC001274302159 1296056807 /nfs/dbraw/zinc/05/68/07/1296056807.db2.gz WRKAQXXILLQFFX-QRWLVFNGSA-N 1 0 344.455 2.840 20 10 EFCDRO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(C)cccc1O ZINC001274301828 1296056861 /nfs/dbraw/zinc/05/68/61/1296056861.db2.gz SPDWVTCBKOHHIZ-FOIQADDNSA-N 1 0 344.455 2.635 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(C)C)c(O)c1 ZINC001274660066 1296132557 /nfs/dbraw/zinc/13/25/57/1296132557.db2.gz BGPPFHSWHQQZMR-QZTJIDSGSA-N 1 0 346.471 2.931 20 10 EFCDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC001320836012 1296147739 /nfs/dbraw/zinc/14/77/39/1296147739.db2.gz FOFXTIUTPDXVQY-VXGBXAGGSA-N 1 0 328.206 2.586 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2CCCO2)cc1C ZINC000959865133 1296163598 /nfs/dbraw/zinc/16/35/98/1296163598.db2.gz GMLOGGMPSYMUPB-HKUYNNGSSA-N 1 0 346.471 2.653 20 10 EFCDRO c1cc(N2CCCCC2)ccc1CN1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235007842 1313222730 /nfs/dbraw/zinc/22/27/30/1313222730.db2.gz NBNPJJSVQYKUHY-NRFANRHFSA-N 1 0 343.515 2.879 20 10 EFCDRO c1cc(N2CCCCC2)ccc1CN1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235007847 1313222756 /nfs/dbraw/zinc/22/27/56/1313222756.db2.gz NBNPJJSVQYKUHY-OAQYLSRUSA-N 1 0 343.515 2.879 20 10 EFCDRO CCN(CC)c1ccc(CN2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235007368 1313222841 /nfs/dbraw/zinc/22/28/41/1313222841.db2.gz MQPWQFMHBSAYPY-HXUWFJFHSA-N 1 0 331.504 2.735 20 10 EFCDRO CN(C)c1ccc(CN2CCOC[C@@]3(CCC[NH2+]C3)C2)c(Cl)c1 ZINC001235009845 1313223220 /nfs/dbraw/zinc/22/32/20/1313223220.db2.gz ZNTXOVRJMMZBSU-GOSISDBHSA-N 1 0 337.895 2.608 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)c2cocn2)cc1C ZINC000959914887 1296231601 /nfs/dbraw/zinc/23/16/01/1296231601.db2.gz LHOBRUVDACLAAQ-INIZCTEOSA-N 1 0 343.427 2.776 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCC[C@@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001275267476 1296247638 /nfs/dbraw/zinc/24/76/38/1296247638.db2.gz PIGMONUSOJXQGB-LJQANCHMSA-N 1 0 326.444 2.603 20 10 EFCDRO [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCCC2(COC2)C1 ZINC001235058394 1313233389 /nfs/dbraw/zinc/23/33/89/1313233389.db2.gz KKTGEXZHJRDMNR-UHFFFAOYSA-N 1 0 330.197 2.906 20 10 EFCDRO C[NH+]1CC2(C1)CC[NH+](Cc1cc(Br)cc(F)c1[O-])CC2 ZINC001235066806 1313234334 /nfs/dbraw/zinc/23/43/34/1313234334.db2.gz NVOIOYHIMYVDKO-UHFFFAOYSA-N 1 0 343.240 2.821 20 10 EFCDRO Oc1c(CN2CCOC[C@@]3(CCC[NH2+]C3)C2)cccc1C(F)(F)F ZINC001235022849 1313227001 /nfs/dbraw/zinc/22/70/01/1313227001.db2.gz QSYFOISDVATGNT-MRXNPFEDSA-N 1 0 344.377 2.613 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN1CCCCC12C[NH2+]C2 ZINC001235102803 1313242050 /nfs/dbraw/zinc/24/20/50/1313242050.db2.gz BWCONORUWWZYAZ-UHFFFAOYSA-N 1 0 335.879 2.505 20 10 EFCDRO Fc1cc(N2CCOCC2)ccc1CN1CCCC[C@]12CCC[NH2+]C2 ZINC001235168429 1313256781 /nfs/dbraw/zinc/25/67/81/1313256781.db2.gz RRLYECYMIHYQBH-HXUWFJFHSA-N 1 0 347.478 2.770 20 10 EFCDRO CC(C)Cn1ccc(-c2ccc(OCCC[NH+](C)C)nc2)cc1=O ZINC001205255268 1313260116 /nfs/dbraw/zinc/26/01/16/1313260116.db2.gz FOUGEWJINVYPSM-UHFFFAOYSA-N 1 0 329.444 2.897 20 10 EFCDRO Cc1cc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)c(C)n1-c1ccccc1 ZINC001235206944 1313263618 /nfs/dbraw/zinc/26/36/18/1313263618.db2.gz QULKDDGPYTVVCO-PMACEKPBSA-N 1 0 325.456 2.657 20 10 EFCDRO COc1cc(CN2CCC[C@@](C)([NH3+])CC2)c(O)cc1Br ZINC001205289565 1313264923 /nfs/dbraw/zinc/26/49/23/1313264923.db2.gz ZBVHLOMAUNDQRP-OAHLLOKOSA-N 1 0 343.265 2.867 20 10 EFCDRO CN1CCOc2cc(CN3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)ccc21 ZINC001235220972 1313267744 /nfs/dbraw/zinc/26/77/44/1313267744.db2.gz LIPRZQIXWIALKO-RBUKOAKNSA-N 1 0 335.451 2.586 20 10 EFCDRO C[C@@H]1CCN(Cc2cc(F)cc(Br)c2[O-])C[C@@H]1C[NH3+] ZINC001205316443 1313269183 /nfs/dbraw/zinc/26/91/83/1313269183.db2.gz IZWWCNPFXHAZMN-KOLCDFICSA-N 1 0 331.229 2.711 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(CN2CCO[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235240764 1313271445 /nfs/dbraw/zinc/27/14/45/1313271445.db2.gz OFJHOOKAOGIVIY-PMACEKPBSA-N 1 0 325.456 2.657 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCCC[C@H]2C[NH2+]CC2CC2)cc1 ZINC000960227789 1296613052 /nfs/dbraw/zinc/61/30/52/1296613052.db2.gz MHYVETHMIFJXJH-INIZCTEOSA-N 1 0 343.431 2.843 20 10 EFCDRO CC(C)[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000960228776 1296615066 /nfs/dbraw/zinc/61/50/66/1296615066.db2.gz VAEPCDBKIXXEFA-HNNXBMFYSA-N 1 0 331.420 2.842 20 10 EFCDRO C[N@@H+](Cc1cc(Cl)c(C(C)(C)C)cc1O)C[C@@H]1CNCCO1 ZINC001205537166 1313308209 /nfs/dbraw/zinc/30/82/09/1313308209.db2.gz DPMPBMUJOFHORR-ZDUSSCGKSA-N 1 0 326.868 2.763 20 10 EFCDRO CN(C)c1ccc(CN2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c(Cl)c1 ZINC001235401453 1313312426 /nfs/dbraw/zinc/31/24/26/1313312426.db2.gz GQPWDPAYSFWQNH-SJORKVTESA-N 1 0 325.859 2.930 20 10 EFCDRO C[C@H]1NCCC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000925574260 1296858738 /nfs/dbraw/zinc/85/87/38/1296858738.db2.gz CVRJQXXISLEWDQ-DYVFJYSZSA-N 1 0 339.430 2.987 20 10 EFCDRO Oc1ccc2cc(Br)ccc2c1CN1C[C@H]2C[C@@H](C1)[NH2+]2 ZINC001235415260 1313316821 /nfs/dbraw/zinc/31/68/21/1313316821.db2.gz VARBFWUMKVPCMG-BETUJISGSA-N 1 0 333.229 2.854 20 10 EFCDRO COc1cc(Br)cc(CN2CC[NH2+]C[C@H]2C(C)C)c1O ZINC001235452800 1313326129 /nfs/dbraw/zinc/32/61/29/1313326129.db2.gz MMLUTYBXSRCSIN-ZDUSSCGKSA-N 1 0 343.265 2.593 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@]34CCN(C)C4=O)c2c1 ZINC001273904150 1297053619 /nfs/dbraw/zinc/05/36/19/1297053619.db2.gz BGBRGUNQIWQECX-FQEVSTJZSA-N 1 0 340.423 2.751 20 10 EFCDRO COc1cc(O)c(C[NH2+]C[C@@H](O)c2c(F)cccc2F)cc1OC ZINC000776208689 1297060323 /nfs/dbraw/zinc/06/03/23/1297060323.db2.gz BZHXGPNSUHYXGS-CQSZACIVSA-N 1 0 339.338 2.511 20 10 EFCDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001205819384 1313360998 /nfs/dbraw/zinc/36/09/98/1313360998.db2.gz XLKXNWKXHSLGLM-RHSMWYFYSA-N 1 0 329.488 2.650 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2cccnc2)[NH+](C)C)cc1 ZINC000929757749 1297205256 /nfs/dbraw/zinc/20/52/56/1297205256.db2.gz LAZKCWMLOJOVRL-KRWDZBQOSA-N 1 0 327.432 2.572 20 10 EFCDRO C[C@H]1CC[C@@H](C[NH3+])N(Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001205819391 1313361032 /nfs/dbraw/zinc/36/10/32/1313361032.db2.gz XLKXNWKXHSLGLM-YOEHRIQHSA-N 1 0 329.488 2.650 20 10 EFCDRO C[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000776245041 1297222408 /nfs/dbraw/zinc/22/24/08/1297222408.db2.gz HEDXREGZXQGAFO-HZPDHXFCSA-N 1 0 332.492 2.797 20 10 EFCDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776238380 1297225380 /nfs/dbraw/zinc/22/53/80/1297225380.db2.gz NMIFBFNXMKTROC-MAUKXSAKSA-N 1 0 332.492 2.795 20 10 EFCDRO COc1cc(O)c(CN2C[C@H](C)CC[C@@H]2C[NH3+])cc1Br ZINC001205838093 1313364201 /nfs/dbraw/zinc/36/42/01/1313364201.db2.gz AOYREVXRZAQFJH-ZYHUDNBSSA-N 1 0 343.265 2.723 20 10 EFCDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001205856511 1313366491 /nfs/dbraw/zinc/36/64/91/1313366491.db2.gz WERVANLGOFPINB-DGCLKSJQSA-N 1 0 332.366 2.893 20 10 EFCDRO COC(=O)CC[C@H]1COCCN1Cc1ccc(C(C)(C)C)cc1O ZINC001235678215 1313373368 /nfs/dbraw/zinc/37/33/68/1313373368.db2.gz AKZLVHUYWDENTG-INIZCTEOSA-N 1 0 335.444 2.844 20 10 EFCDRO COc1cc(O)c(CN2CC[NH2+]C[C@@H]2c2ccccc2F)c(OC)c1 ZINC001235735564 1313385008 /nfs/dbraw/zinc/38/50/08/1313385008.db2.gz HYDQLSNQWMAHPJ-QGZVFWFLSA-N 1 0 346.402 2.695 20 10 EFCDRO Cc1cc(O)c(CN2CCCC3(C[NH2+]C3)C2)cc1Br ZINC001235712663 1313381781 /nfs/dbraw/zinc/38/17/81/1313381781.db2.gz FRAMJLYCQBLKSN-UHFFFAOYSA-N 1 0 325.250 2.649 20 10 EFCDRO Cn1c(C[NH2+]Cc2cc3c(cc2O)OCO3)nc2cc(Cl)ccc21 ZINC000778201536 1297514153 /nfs/dbraw/zinc/51/41/53/1297514153.db2.gz LACDJVIMHLVWFM-UHFFFAOYSA-N 1 0 345.786 2.951 20 10 EFCDRO COCCCN(Cc1ccc(N(C)C)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001235804465 1313400275 /nfs/dbraw/zinc/40/02/75/1313400275.db2.gz DMVFUIZHDHHLBF-QGZVFWFLSA-N 1 0 339.911 2.997 20 10 EFCDRO CCOC(=O)CN(CC[NH3+])Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001235830605 1313406226 /nfs/dbraw/zinc/40/62/26/1313406226.db2.gz QMPDLPSVYQBFQK-UHFFFAOYSA-N 1 0 346.402 2.522 20 10 EFCDRO CCOc1ccc(CN2CC[NH2+]C[C@H]2Cc2ccccc2)c(O)c1 ZINC001235858294 1313411039 /nfs/dbraw/zinc/41/10/39/1313411039.db2.gz ZDBPKBWEZYYQCZ-GOSISDBHSA-N 1 0 326.440 2.807 20 10 EFCDRO [NH3+][C@@H]1CN(Cc2ccc(OCC(F)(F)F)cc2O)CC(F)(F)C1 ZINC001206146682 1313411742 /nfs/dbraw/zinc/41/17/42/1313411742.db2.gz XSJLRVMEAPFIGA-JTQLQIEISA-N 1 0 340.292 2.502 20 10 EFCDRO CC(C)C[C@H]1CN(Cc2c(O)cccc2Br)CC[NH2+]1 ZINC001235881604 1313414219 /nfs/dbraw/zinc/41/42/19/1313414219.db2.gz PEKCJCLUCSFYCX-LBPRGKRZSA-N 1 0 327.266 2.975 20 10 EFCDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(O)c1O)Cc1ccccc1 ZINC000776329906 1297696415 /nfs/dbraw/zinc/69/64/15/1297696415.db2.gz HLRDYFXXDXNHHR-MRXNPFEDSA-N 1 0 342.439 2.781 20 10 EFCDRO CC(C)(C)c1cc(O)c(CN2CC[C@H]3COC[C@@H](C2)[NH2+]3)cc1Cl ZINC001235988200 1313427920 /nfs/dbraw/zinc/42/79/20/1313427920.db2.gz ZZNXBWCZKBVPNP-UONOGXRCSA-N 1 0 338.879 2.906 20 10 EFCDRO CCN(Cc1cc2c3c(c1O)CCCN3CCC2)[C@@H]1CCC[NH2+]C1 ZINC001236005826 1313430100 /nfs/dbraw/zinc/43/01/00/1313430100.db2.gz PIEDESJJDSFIQL-QGZVFWFLSA-N 1 0 329.488 2.665 20 10 EFCDRO CCN(Cc1cc(OC)c(Br)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236008160 1313430661 /nfs/dbraw/zinc/43/06/61/1313430661.db2.gz FADYYIJTRCWTAL-GFCCVEGCSA-N 1 0 343.265 2.737 20 10 EFCDRO Cc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1Br ZINC001235960624 1313423082 /nfs/dbraw/zinc/42/30/82/1313423082.db2.gz VNBKXLOJIDNPNH-QHBPRCKVSA-N 1 0 325.250 2.632 20 10 EFCDRO CCN(Cc1c(O)cc(OC)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC001236010402 1313431195 /nfs/dbraw/zinc/43/11/95/1313431195.db2.gz RDNLSQPETCUDGR-LLVKDONJSA-N 1 0 343.265 2.737 20 10 EFCDRO CCN(Cc1ccc(N2CCOCC2)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC001236010993 1313431382 /nfs/dbraw/zinc/43/13/82/1313431382.db2.gz VKDZPBFDEJMZFP-KRWDZBQOSA-N 1 0 337.895 2.751 20 10 EFCDRO CCN(Cc1ccc(OCC(F)(F)F)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236010909 1313431556 /nfs/dbraw/zinc/43/15/56/1313431556.db2.gz UEQXPQQJUZPVIA-CYBMUJFWSA-N 1 0 332.366 2.907 20 10 EFCDRO CCOC(=O)c1c(CN2[C@H](C)C[NH2+]C[C@H]2C)c2ccccc2n1C ZINC001236104125 1313441733 /nfs/dbraw/zinc/44/17/33/1313441733.db2.gz WXADHFRWPXGYNX-ZIAGYGMSSA-N 1 0 329.444 2.537 20 10 EFCDRO CCOC(=O)c1c(CN(C)C[C@@H]2CCC[NH2+]2)c2ccccc2n1C ZINC001236121971 1313443823 /nfs/dbraw/zinc/44/38/23/1313443823.db2.gz IHLOKWGCFPAJGE-AWEZNQCLSA-N 1 0 329.444 2.539 20 10 EFCDRO CCC[C@@H]1C[NH2+]CCN1Cc1cc(Br)c(OC)cc1O ZINC001236133399 1313445254 /nfs/dbraw/zinc/44/52/54/1313445254.db2.gz VPUXMGLLUBVFHC-GFCCVEGCSA-N 1 0 343.265 2.737 20 10 EFCDRO CN(C)c1ccc(CN2CC(O)([C@@H]3CCCC[NH2+]3)C2)c2ccccc21 ZINC001236162324 1313449110 /nfs/dbraw/zinc/44/91/10/1313449110.db2.gz DYOPUYJFADVJMW-FQEVSTJZSA-N 1 0 339.483 2.595 20 10 EFCDRO Cc1cc(CN2CC(O)([C@@H]3CCCC[NH2+]3)C2)c(C)n1-c1ccccc1 ZINC001236164678 1313450045 /nfs/dbraw/zinc/45/00/45/1313450045.db2.gz YSSGGZDCDZQGRJ-FQEVSTJZSA-N 1 0 339.483 2.783 20 10 EFCDRO CCC[C@H]1CN(Cc2c(O)cc(OC)cc2Br)CC[NH2+]1 ZINC001236179883 1313452120 /nfs/dbraw/zinc/45/21/20/1313452120.db2.gz XFHLOAMKKNWFOT-NSHDSACASA-N 1 0 343.265 2.737 20 10 EFCDRO CN(Cc1ccc(N2CCOCC2)cc1Cl)[C@@]1(C)CCC[NH2+]C1 ZINC001236207095 1313455684 /nfs/dbraw/zinc/45/56/84/1313455684.db2.gz ONUQZJRXNFOAIR-SFHVURJKSA-N 1 0 337.895 2.751 20 10 EFCDRO CN(Cc1ccc(N2CCOCC2)c(Cl)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219761 1313457548 /nfs/dbraw/zinc/45/75/48/1313457548.db2.gz XQKBIOQETJRGFT-FUHWJXTLSA-N 1 0 337.895 2.878 20 10 EFCDRO [O-]c1cc(Br)cc(F)c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322104 1313468969 /nfs/dbraw/zinc/46/89/69/1313468969.db2.gz POQGDNOPTURRDO-PHIMTYICSA-N 1 0 343.240 2.725 20 10 EFCDRO CCCN(Cc1c2ccccc2n(C)c1C(=O)OCC)[C@@H]1CC[NH2+]C1 ZINC001236324460 1313469803 /nfs/dbraw/zinc/46/98/03/1313469803.db2.gz QLNCBEQIBHLBQS-OAHLLOKOSA-N 1 0 343.471 2.929 20 10 EFCDRO COCCN(Cc1cc(C)n(-c2ccccc2)c1C)[C@@H]1CC[NH2+]C1 ZINC001236332603 1313471387 /nfs/dbraw/zinc/47/13/87/1313471387.db2.gz HACOOQZWDSUMKZ-HXUWFJFHSA-N 1 0 327.472 2.904 20 10 EFCDRO COCCN(Cc1cc(Cl)c(Cl)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236333745 1313471840 /nfs/dbraw/zinc/47/18/40/1313471840.db2.gz YWMAQHLIRMEXOR-GFCCVEGCSA-N 1 0 333.259 2.899 20 10 EFCDRO Oc1ccc(CN(Cc2ccccc2F)[C@H]2CCC[NH2+]C2)cc1O ZINC001236351977 1313473058 /nfs/dbraw/zinc/47/30/58/1313473058.db2.gz DTAHMCDYHQEWJG-INIZCTEOSA-N 1 0 330.403 2.991 20 10 EFCDRO CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001049914213 1313476925 /nfs/dbraw/zinc/47/69/25/1313476925.db2.gz BGBSUTCZMXXUSH-HOTGVXAUSA-N 1 0 343.431 2.938 20 10 EFCDRO CC(C)N(Cc1ccc(N2CCOCC2)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC001236529093 1313488817 /nfs/dbraw/zinc/48/88/17/1313488817.db2.gz MRCVRBJGXZGITR-INIZCTEOSA-N 1 0 337.895 2.749 20 10 EFCDRO CC(C)N(Cc1ccc(N2CCOCC2)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC001236529097 1313488868 /nfs/dbraw/zinc/48/88/68/1313488868.db2.gz MRCVRBJGXZGITR-MRXNPFEDSA-N 1 0 337.895 2.749 20 10 EFCDRO Cc1cc(O)c(CN(C2CC2)[C@@H]2CC[NH2+]C2)cc1Br ZINC001236533410 1313489457 /nfs/dbraw/zinc/48/94/57/1313489457.db2.gz PJKWJANEJLXFPX-CYBMUJFWSA-N 1 0 325.250 2.789 20 10 EFCDRO CC[N@@H+](Cc1ccc(N)cc1)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001236632799 1313501909 /nfs/dbraw/zinc/50/19/09/1313501909.db2.gz APOQSMHVDRVGEF-OAQYLSRUSA-N 1 0 339.483 2.992 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2CCC[C@H]2C(=O)N(C)C)c1 ZINC001236670147 1313506522 /nfs/dbraw/zinc/50/65/22/1313506522.db2.gz UZYQXOHKLXTUTL-ZDUSSCGKSA-N 1 0 341.249 2.516 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001236669539 1313506573 /nfs/dbraw/zinc/50/65/73/1313506573.db2.gz OOIJBXITZOHGIY-CZUORRHYSA-N 1 0 339.277 2.847 20 10 EFCDRO COc1cc(Br)cc(C[N@H+](C)C[C@H]2CCC[C@H]2O)c1O ZINC000305748830 1298525223 /nfs/dbraw/zinc/52/52/23/1298525223.db2.gz WAFFPEDYKXSCPR-ZWNOBZJWSA-N 1 0 344.249 2.756 20 10 EFCDRO CC[N@H+](C)C1CCN(Cc2cc(O)c(Br)cc2O)CC1 ZINC001236763522 1313524785 /nfs/dbraw/zinc/52/47/85/1313524785.db2.gz AVGKZDNVTZZHSA-UHFFFAOYSA-N 1 0 343.265 2.776 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@H](O)CC2)c(O)cc1Br ZINC001236745832 1313520714 /nfs/dbraw/zinc/52/07/14/1313520714.db2.gz RQHCLZLWMUTRDX-NSHDSACASA-N 1 0 330.222 2.510 20 10 EFCDRO COc1cc(C[N@H+]2CC[C@@H](O)[C@@H](C)CC2)c(O)cc1Br ZINC001236746560 1313521031 /nfs/dbraw/zinc/52/10/31/1313521031.db2.gz DSMJSGRFBSGLAD-GXFFZTMASA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(C[N@H+](C)Cc2cnn(C)c2)c(O)cc1Br ZINC001236745808 1313521075 /nfs/dbraw/zinc/52/10/75/1313521075.db2.gz REAPHIBUIPMNPK-UHFFFAOYSA-N 1 0 340.221 2.529 20 10 EFCDRO CCOC(=O)C[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001236748926 1313521534 /nfs/dbraw/zinc/52/15/34/1313521534.db2.gz CIVDQLQMAIUMLQ-CYBMUJFWSA-N 1 0 337.416 2.575 20 10 EFCDRO COc1ccc2c(c1)CC[N@@H+](Cc1cc(OC)c(OC)cc1O)C2 ZINC001236751845 1313522246 /nfs/dbraw/zinc/52/22/46/1313522246.db2.gz ZCQRBZFCQNMUGD-UHFFFAOYSA-N 1 0 329.396 2.976 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(Oc3cccnc3)CC2)cc1OC ZINC001236756829 1313522981 /nfs/dbraw/zinc/52/29/81/1313522981.db2.gz TZJJHEXMHHNEBQ-UHFFFAOYSA-N 1 0 344.411 2.848 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(O)cc1Br ZINC001236756082 1313523158 /nfs/dbraw/zinc/52/31/58/1313523158.db2.gz IJYCGBVKMGDLMU-YGRLFVJLSA-N 1 0 342.233 2.774 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c(O)cc1Br ZINC001236757734 1313523330 /nfs/dbraw/zinc/52/33/30/1313523330.db2.gz WUEWSONEXPSTTP-ONGXEEELSA-N 1 0 330.222 2.509 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C[C@H](C)O1 ZINC000305758734 1298568040 /nfs/dbraw/zinc/56/80/40/1298568040.db2.gz BHKIEQNPDBZSJF-HGKCTWBKSA-N 1 0 332.488 2.941 20 10 EFCDRO CC(C)[N@@H+]1CCN(Cc2cc(O)c(Br)cc2O)C[C@@H]1C ZINC001236765408 1313524550 /nfs/dbraw/zinc/52/45/50/1313524550.db2.gz OFYNNLDCEIQPJP-NSHDSACASA-N 1 0 343.265 2.775 20 10 EFCDRO C[C@H]1CC[N@H+](Cc2cc(O)c(Br)cc2O)CC[C@@]1(C)O ZINC001236764441 1313524575 /nfs/dbraw/zinc/52/45/75/1313524575.db2.gz FJUQWEDDMNGIDB-ZUZCIYMTSA-N 1 0 344.249 2.843 20 10 EFCDRO Oc1cc(C[N@@H+]2CCCC[C@](O)(CF)C2)c(O)cc1Br ZINC001236764175 1313524760 /nfs/dbraw/zinc/52/47/60/1313524760.db2.gz CVHBEZAJSFXNQU-AWEZNQCLSA-N 1 0 348.212 2.547 20 10 EFCDRO CCN(CC)c1ccc(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)cc1F ZINC000903972006 1313519343 /nfs/dbraw/zinc/51/93/43/1313519343.db2.gz FPUDYZFKVAHNMV-QGZVFWFLSA-N 1 0 349.494 2.920 20 10 EFCDRO CC(C)C[NH+]1CCN(Cc2cc(O)c(Br)cc2O)CC1 ZINC001236768611 1313525557 /nfs/dbraw/zinc/52/55/57/1313525557.db2.gz ZRFCDHZVISWHFO-UHFFFAOYSA-N 1 0 343.265 2.634 20 10 EFCDRO Oc1cc(C[NH+]2CCC3(CCOC3)CC2)c(O)cc1Br ZINC001236773901 1313525980 /nfs/dbraw/zinc/52/59/80/1313525980.db2.gz VUAASWWRYGGCBZ-UHFFFAOYSA-N 1 0 342.233 2.863 20 10 EFCDRO COC1(C)CC[NH+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001236773863 1313526350 /nfs/dbraw/zinc/52/63/50/1313526350.db2.gz VEXXOERNSNIDAE-UHFFFAOYSA-N 1 0 330.222 2.861 20 10 EFCDRO Cc1cc(CN(C)Cc2cc(O)c(Br)cc2O)n(C)n1 ZINC001236775774 1313526626 /nfs/dbraw/zinc/52/66/26/1313526626.db2.gz PTQRJFFGODCYOR-UHFFFAOYSA-N 1 0 340.221 2.534 20 10 EFCDRO COC(=O)CC[N@H+](C)Cc1cc(OCc2ccccc2)ccc1O ZINC001236782209 1313527603 /nfs/dbraw/zinc/52/76/03/1313527603.db2.gz KODZYISDCCNPNW-UHFFFAOYSA-N 1 0 329.396 2.966 20 10 EFCDRO COC[C@@H]1COCCN1Cc1cc(OCc2ccccc2)ccc1O ZINC001236783813 1313527963 /nfs/dbraw/zinc/52/79/63/1313527963.db2.gz VUSKJZNMHBROCD-GOSISDBHSA-N 1 0 343.423 2.818 20 10 EFCDRO CCc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)c(O)c1 ZINC001236786460 1313528216 /nfs/dbraw/zinc/52/82/16/1313528216.db2.gz DPHWRAAXBVLHGY-KDURUIRLSA-N 1 0 337.467 2.913 20 10 EFCDRO CCc1ccc(C[N@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c(O)c1 ZINC001236787177 1313528276 /nfs/dbraw/zinc/52/82/76/1313528276.db2.gz JQXLJALQZNQKAC-CALCHBBNSA-N 1 0 343.496 2.975 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2ccc(CC)cc2O)Cc2cnn(C)c21 ZINC001236786021 1313528576 /nfs/dbraw/zinc/52/85/76/1313528576.db2.gz CHHHTFHFNIKYKY-KRWDZBQOSA-N 1 0 329.444 2.824 20 10 EFCDRO CCc1ccc(C[N@@H+]2CC[C@H](Oc3nc(C)cc(OC)n3)C2)c(O)c1 ZINC001236788813 1313529299 /nfs/dbraw/zinc/52/92/99/1313529299.db2.gz QULWKWUFQNUSQV-INIZCTEOSA-N 1 0 343.427 2.715 20 10 EFCDRO CCc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c(O)c1 ZINC001236788014 1313529306 /nfs/dbraw/zinc/52/93/06/1313529306.db2.gz XRJASTJFZRJKEZ-QLPKVWCKSA-N 1 0 332.444 2.910 20 10 EFCDRO CCc1ccc(C[N@@H+]2CCC[C@H](Oc3nccc(OC)n3)C2)c(O)c1 ZINC001236789330 1313529314 /nfs/dbraw/zinc/52/93/14/1313529314.db2.gz VJJBOKCUFQEHLQ-INIZCTEOSA-N 1 0 343.427 2.797 20 10 EFCDRO CCc1ccc(CN2CCN(c3ccc(F)cc3)C(=O)C2)c(O)c1 ZINC001236792810 1313529829 /nfs/dbraw/zinc/52/98/29/1313529829.db2.gz ROXMSBFTSDSTPA-UHFFFAOYSA-N 1 0 328.387 2.943 20 10 EFCDRO CCc1ccc(C[N@@H+]2CCC[C@@H](OCC(=O)NC(C)(C)C)C2)c(O)c1 ZINC001236791760 1313530161 /nfs/dbraw/zinc/53/01/61/1313530161.db2.gz KEZYREOWZXRJMZ-QGZVFWFLSA-N 1 0 348.487 2.850 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c(Cl)c1 ZINC001236804822 1313531067 /nfs/dbraw/zinc/53/10/67/1313531067.db2.gz BCEGQKXEVMROHN-INIZCTEOSA-N 1 0 325.792 2.726 20 10 EFCDRO CC(C)(O)CC[NH+]1CCN(Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001236802164 1313531985 /nfs/dbraw/zinc/53/19/85/1313531985.db2.gz GTSVNBNRPSFBEB-UHFFFAOYSA-N 1 0 347.286 2.978 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3ncccn3)C2)c(Cl)c1 ZINC001236804847 1313532006 /nfs/dbraw/zinc/53/20/06/1313532006.db2.gz BPVNTNUSLBGQOW-LBPRGKRZSA-N 1 0 349.818 2.888 20 10 EFCDRO COC(=O)CC[C@H]1CC[N@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236804781 1313532155 /nfs/dbraw/zinc/53/21/55/1313532155.db2.gz ZKIPSOXEHYETGB-NSHDSACASA-N 1 0 327.808 2.829 20 10 EFCDRO Oc1cc(Cl)c(Cl)cc1CN1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001236805103 1313532542 /nfs/dbraw/zinc/53/25/42/1313532542.db2.gz UXZUDVXJLBAKFB-ZDUSSCGKSA-N 1 0 345.270 2.996 20 10 EFCDRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)c(Cl)c2[O-])CCS1 ZINC001236806553 1313533009 /nfs/dbraw/zinc/53/30/09/1313533009.db2.gz BRXAQYZACAVZPJ-LBPRGKRZSA-N 1 0 345.848 2.535 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3nccnc3C)C2)c(Cl)c1 ZINC001236806008 1313533383 /nfs/dbraw/zinc/53/33/83/1313533383.db2.gz KWIXMLURAWOJBJ-GFCCVEGCSA-N 1 0 349.818 2.806 20 10 EFCDRO CCn1ncc2c1[C@@H](COC)C[N@H+](Cc1c(C)cc(OC)cc1O)C2 ZINC001236809279 1313534330 /nfs/dbraw/zinc/53/43/30/1313534330.db2.gz QEPGOUWBEMVCHA-OAHLLOKOSA-N 1 0 345.443 2.671 20 10 EFCDRO CCN(CC)C(=O)NC1CC[NH+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001236812582 1313534713 /nfs/dbraw/zinc/53/47/13/1313534713.db2.gz BUTGRFDQADVRQG-UHFFFAOYSA-N 1 0 349.475 2.725 20 10 EFCDRO COc1cc(C)c(C[NH+]2CC3(CN(c4ccccc4)C3=O)C2)c(O)c1 ZINC001236811622 1313534813 /nfs/dbraw/zinc/53/48/13/1313534813.db2.gz UCOXRXHWRHDOBJ-UHFFFAOYSA-N 1 0 338.407 2.558 20 10 EFCDRO CCOC(=O)C1(F)CC[NH+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001236812886 1313534824 /nfs/dbraw/zinc/53/48/24/1313534824.db2.gz GYTKXOKCLTYAGW-UHFFFAOYSA-N 1 0 325.380 2.576 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCC(C)(C(=O)N3CCCC3)CC2)c(O)c1 ZINC001236811631 1313535287 /nfs/dbraw/zinc/53/52/87/1313535287.db2.gz UHJHFEQAQOMXSR-UHFFFAOYSA-N 1 0 346.471 2.934 20 10 EFCDRO CCC(=O)N(CC)C1CC[NH+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001236816812 1313535508 /nfs/dbraw/zinc/53/55/08/1313535508.db2.gz YASDRORQSPGTIP-UHFFFAOYSA-N 1 0 334.460 2.932 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCC(Oc3cc(C)ncn3)CC2)c(O)c1 ZINC001236816932 1313535755 /nfs/dbraw/zinc/53/57/55/1313535755.db2.gz YVBZGPJSWBJJEW-UHFFFAOYSA-N 1 0 343.427 2.851 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](Oc3nccnc3C)C2)c(O)c1 ZINC001236816153 1313535767 /nfs/dbraw/zinc/53/57/67/1313535767.db2.gz QRXSWSFJIDPBOG-OAHLLOKOSA-N 1 0 343.427 2.851 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001236814528 1313535775 /nfs/dbraw/zinc/53/57/75/1313535775.db2.gz UBJVEUREJZZVEC-FXAWDEMLSA-N 1 0 347.455 2.869 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCC(N(C)C(=O)C(C)C)CC2)c(O)c1 ZINC001236815763 1313535841 /nfs/dbraw/zinc/53/58/41/1313535841.db2.gz OABWWURXYGYQPN-UHFFFAOYSA-N 1 0 334.460 2.788 20 10 EFCDRO COc1ccc(O[C@@H]2CC[N@H+](Cc3c(C)cc(OC)cc3O)C2)nc1 ZINC001236815964 1313535942 /nfs/dbraw/zinc/53/59/42/1313535942.db2.gz PMGATTVNLQGEKK-OAHLLOKOSA-N 1 0 344.411 2.766 20 10 EFCDRO O=C(N1CCN(Cc2cc3ccccc3cc2O)CC1)C(F)(F)F ZINC001236826858 1313537365 /nfs/dbraw/zinc/53/73/65/1313537365.db2.gz OTJWIXITDTZHEQ-UHFFFAOYSA-N 1 0 338.329 2.752 20 10 EFCDRO CCOc1cncc(CN2CCN(c3ccc(OC)cc3)CC2)c1 ZINC001236835800 1313538261 /nfs/dbraw/zinc/53/82/61/1313538261.db2.gz TYHIKHCUSDYPJS-UHFFFAOYSA-N 1 0 327.428 2.811 20 10 EFCDRO CC1=NC2(CC[NH+](Cc3cc4ccccc4cc3O)CC2)C(=O)N1C ZINC001236833158 1313538873 /nfs/dbraw/zinc/53/88/73/1313538873.db2.gz AMSLBGAVIKIIIB-UHFFFAOYSA-N 1 0 337.423 2.770 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001236918282 1313552773 /nfs/dbraw/zinc/55/27/73/1313552773.db2.gz DRJJDWWMZKNKSQ-QAPCUYQASA-N 1 0 336.863 2.787 20 10 EFCDRO C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3Cl)C[C@H]12 ZINC001236920140 1313552883 /nfs/dbraw/zinc/55/28/83/1313552883.db2.gz RPARYQJWLMYJTK-MZMPZRCHSA-N 1 0 336.863 2.643 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001236918004 1313553286 /nfs/dbraw/zinc/55/32/86/1313553286.db2.gz DRJJDWWMZKNKSQ-MAUKXSAKSA-N 1 0 336.863 2.787 20 10 EFCDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(N4CCOCC4)cc3Cl)C[C@@H]21 ZINC001236929048 1313555220 /nfs/dbraw/zinc/55/52/20/1313555220.db2.gz DPHOWGOFAVOBNE-LPHOPBHVSA-N 1 0 349.906 2.703 20 10 EFCDRO CCOC(=O)CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236928609 1313555497 /nfs/dbraw/zinc/55/54/97/1313555497.db2.gz YNBBOUKZSVEINA-UHFFFAOYSA-N 1 0 340.851 2.562 20 10 EFCDRO C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1ccc(N3CCOCC3)cc1Cl)C2 ZINC001236931940 1313555895 /nfs/dbraw/zinc/55/58/95/1313555895.db2.gz UKULHUVEGVYBFD-VQIMIIECSA-N 1 0 349.906 2.560 20 10 EFCDRO C[N@H+](C1CC1)[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236930732 1313556037 /nfs/dbraw/zinc/55/60/37/1313556037.db2.gz NVUJIAMVNAVMST-SFHVURJKSA-N 1 0 349.906 2.845 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3cc(C)no3)C2)cc1C ZINC000961539644 1298857398 /nfs/dbraw/zinc/85/73/98/1298857398.db2.gz PCBVEOQUDYZXPI-UHFFFAOYSA-N 1 0 343.427 2.598 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH2+]C[C@@H]2C(F)(F)F)c(O)c1 ZINC001236975436 1313564515 /nfs/dbraw/zinc/56/45/15/1313564515.db2.gz IEUQFTPJTYAVJF-OAHLLOKOSA-N 1 0 331.382 2.575 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)C[C@@H]3CCCO3)C2)cc1C ZINC000961593318 1298919225 /nfs/dbraw/zinc/91/92/25/1298919225.db2.gz ZGSVNRQKKANVDI-ABHNRTSZSA-N 1 0 346.471 2.557 20 10 EFCDRO FC(F)(F)[C@@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)CCN1 ZINC001236979823 1313565369 /nfs/dbraw/zinc/56/53/69/1313565369.db2.gz KBLVHDHEYPVYGY-INIZCTEOSA-N 1 0 339.405 2.722 20 10 EFCDRO FC(F)(F)[C@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)CCN1 ZINC001236979824 1313565573 /nfs/dbraw/zinc/56/55/73/1313565573.db2.gz KBLVHDHEYPVYGY-MRXNPFEDSA-N 1 0 339.405 2.722 20 10 EFCDRO Oc1ccc(C(F)(F)F)cc1CN1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001236983824 1313566400 /nfs/dbraw/zinc/56/64/00/1313566400.db2.gz WUFHJEKEVYGHCF-LLVKDONJSA-N 1 0 328.256 2.747 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3ncoc3C)C2)cc1C ZINC000961613531 1298937069 /nfs/dbraw/zinc/93/70/69/1298937069.db2.gz XUDFIPLJRCAAAE-UHFFFAOYSA-N 1 0 343.427 2.598 20 10 EFCDRO CCOc1ccc(C[NH+]2CCN(c3nccc(Cl)n3)CC2)c(O)c1 ZINC001237042047 1313574019 /nfs/dbraw/zinc/57/40/19/1313574019.db2.gz DTVZKQXRQAKQRG-UHFFFAOYSA-N 1 0 348.834 2.557 20 10 EFCDRO CC(C)c1ccc(C[N@@H+]2CCOC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC001237045809 1313575542 /nfs/dbraw/zinc/57/55/42/1313575542.db2.gz LEEDEYLTWUEQJB-OAHLLOKOSA-N 1 0 333.350 2.641 20 10 EFCDRO CCOc1ccc(C[NH+]2CCN(c3ccc(Cl)nn3)CC2)c(O)c1 ZINC001237046591 1313575565 /nfs/dbraw/zinc/57/55/65/1313575565.db2.gz ORDLFYBWSBCZST-UHFFFAOYSA-N 1 0 348.834 2.557 20 10 EFCDRO CCOc1ccc(C[NH+]2CCN(c3ccnc(OC)c3)CC2)c(O)c1 ZINC001237048469 1313575705 /nfs/dbraw/zinc/57/57/05/1313575705.db2.gz SBUHNWAKYKEYLU-UHFFFAOYSA-N 1 0 343.427 2.517 20 10 EFCDRO CC(C)c1ccc(CN2Cc3nccn3C[C@H](C[NH+](C)C)C2)c(O)c1 ZINC001237050697 1313576019 /nfs/dbraw/zinc/57/60/19/1313576019.db2.gz GZPXHAVQHPJGMD-MRXNPFEDSA-N 1 0 342.487 2.906 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000085367277 1299016548 /nfs/dbraw/zinc/01/65/48/1299016548.db2.gz GIDRMIFKQPPYDF-OLZOCXBDSA-N 1 0 337.464 2.737 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(Br)c1 ZINC001237064794 1313580193 /nfs/dbraw/zinc/58/01/93/1313580193.db2.gz JQTULIFNBPQXOI-OAHLLOKOSA-N 1 0 342.233 2.776 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c(Br)c1 ZINC001237066446 1313581051 /nfs/dbraw/zinc/58/10/51/1313581051.db2.gz VUSIVDBACHGZHA-ZJUUUORDSA-N 1 0 330.222 2.509 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c(Br)c1 ZINC001237065997 1313581146 /nfs/dbraw/zinc/58/11/46/1313581146.db2.gz SLUPJJMMKRHDCN-MNOVXSKESA-N 1 0 342.233 2.632 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3cc[nH]c3C)C2)cc1C ZINC000961692389 1299025066 /nfs/dbraw/zinc/02/50/66/1299025066.db2.gz IBPHXZHDJHQQFI-UHFFFAOYSA-N 1 0 341.455 2.938 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](CCO)C2)c(Br)c1 ZINC001237073589 1313582758 /nfs/dbraw/zinc/58/27/58/1313582758.db2.gz SYSOHHVPCCBXOS-LLVKDONJSA-N 1 0 344.249 2.758 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[C@@](C)(C[NH3+])C2)c2ccccc2n1C ZINC001237080194 1313582939 /nfs/dbraw/zinc/58/29/39/1313582939.db2.gz DSVXLUISVHIUJT-FQEVSTJZSA-N 1 0 343.471 2.916 20 10 EFCDRO COCCC[NH+]1CCN(Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237081488 1313584479 /nfs/dbraw/zinc/58/44/79/1313584479.db2.gz LJOGWJWOCFNRFG-UHFFFAOYSA-N 1 0 333.259 2.853 20 10 EFCDRO CC[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(Br)c1 ZINC001237091356 1313584646 /nfs/dbraw/zinc/58/46/46/1313584646.db2.gz ZESKTTSMDXBPNP-UHFFFAOYSA-N 1 0 326.282 2.653 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)[C@H](C)C2)c(O)c1 ZINC001237048944 1313576449 /nfs/dbraw/zinc/57/64/49/1313576449.db2.gz BPYLANKZZXFYBF-IAQYHMDHSA-N 1 0 333.350 2.926 20 10 EFCDRO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1ccc(OCC(F)(F)F)cc1O ZINC001237056593 1313577886 /nfs/dbraw/zinc/57/78/86/1313577886.db2.gz MQDJSYPCOCUOSB-WFASDCNBSA-N 1 0 344.377 2.859 20 10 EFCDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237054025 1313578188 /nfs/dbraw/zinc/57/81/88/1313578188.db2.gz SVMGBJGROJCIAU-NEPJUHHUSA-N 1 0 333.350 2.926 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCO[C@H](C)C2)c(Br)c1 ZINC001237062568 1313579125 /nfs/dbraw/zinc/57/91/25/1313579125.db2.gz MREMTVPDDFAPPD-SNVBAGLBSA-N 1 0 330.222 2.774 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c(Br)c1 ZINC001237061388 1313579530 /nfs/dbraw/zinc/57/95/30/1313579530.db2.gz FVYBHHUBDRGOQG-QMTHXVAHSA-N 1 0 344.249 2.756 20 10 EFCDRO C[N@H+](Cc1ccncn1)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237062589 1313579622 /nfs/dbraw/zinc/57/96/22/1313579622.db2.gz MYRFODGKTYCJQW-UHFFFAOYSA-N 1 0 327.306 2.755 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H](O)C2)c(Br)c1 ZINC001237061738 1313579713 /nfs/dbraw/zinc/57/97/13/1313579713.db2.gz HBGHSPOPBTURLV-SNVBAGLBSA-N 1 0 330.222 2.510 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC001237110484 1313587608 /nfs/dbraw/zinc/58/76/08/1313587608.db2.gz DYTAZOOZZRSHCS-LBPRGKRZSA-N 1 0 330.350 2.961 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001237110752 1313587750 /nfs/dbraw/zinc/58/77/50/1313587750.db2.gz JTMOZACANVDXQK-LBPRGKRZSA-N 1 0 330.350 2.961 20 10 EFCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237113876 1313588321 /nfs/dbraw/zinc/58/83/21/1313588321.db2.gz FTAUKBGPLSQWDY-JTQLQIEISA-N 1 0 333.306 2.676 20 10 EFCDRO O=C1CC[C@@]2(CCC[N@@H+](Cc3c(O)cccc3OC(F)(F)F)C2)O1 ZINC001237113664 1313588353 /nfs/dbraw/zinc/58/83/53/1313588353.db2.gz AHRQGYSIMDJXHB-OAHLLOKOSA-N 1 0 345.317 2.962 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](COc3ccccc3)C1)[C@@H](O)CO2 ZINC000779883837 1299114664 /nfs/dbraw/zinc/11/46/64/1299114664.db2.gz GOAMWZUNGFHLFJ-LIRRHRJNSA-N 1 0 341.407 2.719 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCCC[C@](O)(CF)C1 ZINC001237119341 1313589775 /nfs/dbraw/zinc/58/97/75/1313589775.db2.gz FLFOFYZXTBUDQK-AWEZNQCLSA-N 1 0 337.313 2.977 20 10 EFCDRO [NH3+]C[C@H]1CCC(F)(F)CN1Cc1cc(Br)ccc1O ZINC001237120693 1313590001 /nfs/dbraw/zinc/59/00/01/1313590001.db2.gz KIWOHTUHNQMVSO-LLVKDONJSA-N 1 0 335.192 2.713 20 10 EFCDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237122173 1313590516 /nfs/dbraw/zinc/59/05/16/1313590516.db2.gz FEQAZELAVNAARQ-MNOVXSKESA-N 1 0 347.333 2.922 20 10 EFCDRO C[N@@H+]1C[C@H]2CCCN(Cc3c(O)cccc3OC(F)(F)F)[C@@H]2C1 ZINC001237124055 1313591172 /nfs/dbraw/zinc/59/11/72/1313591172.db2.gz XHOBTEMYXNJINE-DGCLKSJQSA-N 1 0 330.350 2.817 20 10 EFCDRO O=C1OCCCN1C1CC[NH+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237128607 1313591909 /nfs/dbraw/zinc/59/19/09/1313591909.db2.gz SGUDMUPVMHYSBO-UHFFFAOYSA-N 1 0 342.798 2.991 20 10 EFCDRO CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001096640643 1313593953 /nfs/dbraw/zinc/59/39/53/1313593953.db2.gz BBJMAKKLOZKXFG-PMPSAXMXSA-N 1 0 343.431 2.984 20 10 EFCDRO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001096641675 1313594248 /nfs/dbraw/zinc/59/42/48/1313594248.db2.gz YPEDRXKQJHPVCN-PMPSAXMXSA-N 1 0 343.431 2.840 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(N2CCOCC2)cc1 ZINC000305845053 1299198982 /nfs/dbraw/zinc/19/89/82/1299198982.db2.gz SITWGXYFUUUIBJ-INIZCTEOSA-N 1 0 326.440 2.866 20 10 EFCDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237202741 1313604950 /nfs/dbraw/zinc/60/49/50/1313604950.db2.gz KCTWFPVHVZBLPP-IYBDPMFKSA-N 1 0 336.501 2.684 20 10 EFCDRO O=S1(=O)CCN(c2ccc(C[NH+]3C[C@@H]4CCCC[C@H]4C3)cc2)CC1 ZINC001237203705 1313605259 /nfs/dbraw/zinc/60/52/59/1313605259.db2.gz VNTFLCQVUVZWFM-ROUUACIJSA-N 1 0 348.512 2.543 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCCCC1 ZINC001237203099 1313605335 /nfs/dbraw/zinc/60/53/35/1313605335.db2.gz PSNPBZJMQFYNCC-UHFFFAOYSA-N 1 0 336.501 2.686 20 10 EFCDRO CC1(C)CC[NH+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC001237205251 1313605343 /nfs/dbraw/zinc/60/53/43/1313605343.db2.gz HKEWXTJJOWMCPJ-UHFFFAOYSA-N 1 0 336.501 2.543 20 10 EFCDRO O=S1(=O)CCN(c2ccc(C[N@@H+]3CCC[C@@H]4CCC[C@H]43)cc2)CC1 ZINC001237213723 1313607156 /nfs/dbraw/zinc/60/71/56/1313607156.db2.gz VSTQTYXSBGIVGJ-PKOBYXMFSA-N 1 0 348.512 2.686 20 10 EFCDRO Oc1c(C[N@@H+]2CCNC3=CCCC[C@H]32)cc2c3c1CCCN3CCC2 ZINC001237217660 1313607658 /nfs/dbraw/zinc/60/76/58/1313607658.db2.gz CCCVCUGCHMYTDK-LJQANCHMSA-N 1 0 339.483 2.933 20 10 EFCDRO CC(C)[N@H+](C)C[C@H](O)CN(Cc1ccco1)Cc1ccccc1O ZINC000851841516 1299429163 /nfs/dbraw/zinc/42/91/63/1299429163.db2.gz UZIFQINUBIKFGO-KRWDZBQOSA-N 1 0 332.444 2.689 20 10 EFCDRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(N(CC)CC)cc2)C1 ZINC000851986689 1299493125 /nfs/dbraw/zinc/49/31/25/1299493125.db2.gz FAKOTIGPGQBLEN-KRWDZBQOSA-N 1 0 332.492 2.816 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)[C@@H]2C[C@H]3CCCC[C@H]3NC2=O)cc1 ZINC000852212127 1299598580 /nfs/dbraw/zinc/59/85/80/1299598580.db2.gz UYHZGJIXRQEETL-ATZDWAIDSA-N 1 0 345.487 2.511 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)[C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)cc1 ZINC000852212129 1299599071 /nfs/dbraw/zinc/59/90/71/1299599071.db2.gz UYHZGJIXRQEETL-KFKAGJAMSA-N 1 0 345.487 2.511 20 10 EFCDRO Oc1cccc(Br)c1CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237394865 1313636113 /nfs/dbraw/zinc/63/61/13/1313636113.db2.gz WPKLPUMZYRUORA-RISCZKNCSA-N 1 0 325.250 2.729 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237414967 1313641069 /nfs/dbraw/zinc/64/10/69/1313641069.db2.gz NSARNFDYRPXPDH-DOMZBBRYSA-N 1 0 344.377 2.907 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1F ZINC000852465263 1299714026 /nfs/dbraw/zinc/71/40/26/1299714026.db2.gz DCHONCLUFJZQEK-AWEZNQCLSA-N 1 0 336.455 2.564 20 10 EFCDRO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2cc(C)ccc2O)c1 ZINC001237443123 1313645509 /nfs/dbraw/zinc/64/55/09/1313645509.db2.gz JATNOQXEUFFVAM-SFHVURJKSA-N 1 0 340.423 2.634 20 10 EFCDRO COc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c(O)c1 ZINC000852586558 1299773465 /nfs/dbraw/zinc/77/34/65/1299773465.db2.gz JJGBUIDEJOEXSG-HNNXBMFYSA-N 1 0 347.459 2.607 20 10 EFCDRO C[C@H]1Cc2cc(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)ccc2O1 ZINC000852791064 1299888183 /nfs/dbraw/zinc/88/81/83/1299888183.db2.gz CITUCYBJTQUHLJ-SCLBCKFNSA-N 1 0 339.439 2.506 20 10 EFCDRO C[C@H]1Cc2cc(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)ccc2O1 ZINC000852791067 1299888950 /nfs/dbraw/zinc/88/89/50/1299888950.db2.gz CITUCYBJTQUHLJ-UGSOOPFHSA-N 1 0 339.439 2.506 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001237486574 1313654755 /nfs/dbraw/zinc/65/47/55/1313654755.db2.gz SOOSYIPBLDCAQJ-IHPCNDPISA-N 1 0 340.423 2.906 20 10 EFCDRO Cc1cccc(O)c1CN1CCCn2c(Cn3cccc3)nnc2C1 ZINC001237487538 1313654870 /nfs/dbraw/zinc/65/48/70/1313654870.db2.gz AGTSQXWUWYPEQO-UHFFFAOYSA-N 1 0 337.427 2.548 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001237487547 1313655215 /nfs/dbraw/zinc/65/52/15/1313655215.db2.gz ANVZVLFGSBKUBD-FQEVSTJZSA-N 1 0 337.423 2.725 20 10 EFCDRO O=C(NCCCSc1nccs1)c1cccc2c1CC[NH2+]C2 ZINC000852840834 1299909620 /nfs/dbraw/zinc/90/96/20/1299909620.db2.gz UMQACBYZJAHLHA-UHFFFAOYSA-N 1 0 333.482 2.701 20 10 EFCDRO COc1ccnc(OC2CC[NH+](Cc3c(C)cccc3O)CC2)n1 ZINC001237495346 1313655937 /nfs/dbraw/zinc/65/59/37/1313655937.db2.gz QFUGIJQTTUIQAK-UHFFFAOYSA-N 1 0 329.400 2.543 20 10 EFCDRO Cc1cccc(O)c1C[NH+]1CCC2(CN(c3cccnc3)C2=O)CC1 ZINC001237490376 1313655946 /nfs/dbraw/zinc/65/59/46/1313655946.db2.gz ULFCUVMNGUJFKS-UHFFFAOYSA-N 1 0 337.423 2.725 20 10 EFCDRO Cn1cc(CCC[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000111233047 1300079924 /nfs/dbraw/zinc/07/99/24/1300079924.db2.gz ZZMFFHDUYMPBSN-GOSISDBHSA-N 1 0 329.444 2.740 20 10 EFCDRO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+](C)Cc1ccccc1O ZINC000111235279 1300080238 /nfs/dbraw/zinc/08/02/38/1300080238.db2.gz STWONFFFEXTHLZ-GFCCVEGCSA-N 1 0 345.374 2.700 20 10 EFCDRO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000853630419 1300200288 /nfs/dbraw/zinc/20/02/88/1300200288.db2.gz FYZUVPCPFSHBLU-SJKOYZFVSA-N 1 0 327.380 2.774 20 10 EFCDRO C[NH+](C)C[C@@H]1CN(Cc2cc(-c3ccc(F)cc3)ccc2O)CCO1 ZINC001237641643 1313683008 /nfs/dbraw/zinc/68/30/08/1313683008.db2.gz UVIJKMCEUGRDQD-LJQANCHMSA-N 1 0 344.430 2.961 20 10 EFCDRO NC(=O)NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 ZINC001237640442 1313682728 /nfs/dbraw/zinc/68/27/28/1313682728.db2.gz BMUYHCMYHQPXSR-UHFFFAOYSA-N 1 0 343.402 2.831 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)[C@H](C)C2)c(O)c(OC)c1 ZINC001237670327 1313688174 /nfs/dbraw/zinc/68/81/74/1313688174.db2.gz SRGQKIQRTYGJBF-MEBBXXQBSA-N 1 0 349.349 2.545 20 10 EFCDRO O=C1NC[C@@H]2CC[N@@H+](Cc3cc(-c4ccc(F)cc4)ccc3O)C[C@H]12 ZINC001237646986 1313684433 /nfs/dbraw/zinc/68/44/33/1313684433.db2.gz QMRMEDNOSNZVPI-YJBOKZPZSA-N 1 0 340.398 2.766 20 10 EFCDRO Cc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Br ZINC001237683376 1313690666 /nfs/dbraw/zinc/69/06/66/1313690666.db2.gz YVZVEXRORFGYRO-BETUJISGSA-N 1 0 325.250 2.742 20 10 EFCDRO CCCCN(CC(=O)OCC)Cc1cc(OC)cc(OC)c1O ZINC001237681822 1313690872 /nfs/dbraw/zinc/69/08/72/1313690872.db2.gz SWWDQSIZFDNDRY-UHFFFAOYSA-N 1 0 325.405 2.575 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c(O)c(OC)c1 ZINC001237682588 1313691090 /nfs/dbraw/zinc/69/10/90/1313691090.db2.gz BTIVQSURFPPVFT-HNNXBMFYSA-N 1 0 344.411 2.766 20 10 EFCDRO CC[NH+]1C[C@H]2CN(Cc3cc(Br)c(C)cc3O)C[C@@H]2C1 ZINC001237684428 1313691549 /nfs/dbraw/zinc/69/15/49/1313691549.db2.gz KMEXQMYIFFSVTP-KBPBESRZSA-N 1 0 339.277 2.847 20 10 EFCDRO CC[NH+](CC)C[C@H]1CN(Cc2cc(Cl)cc(C)c2O)CCO1 ZINC001237688762 1313692487 /nfs/dbraw/zinc/69/24/87/1313692487.db2.gz JQURXVXTTKLUBE-INIZCTEOSA-N 1 0 326.868 2.897 20 10 EFCDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3cc(Cl)cc(C)c3O)C2)n1 ZINC001237690668 1313692890 /nfs/dbraw/zinc/69/28/90/1313692890.db2.gz RDFHQKMXBYVUIK-CQSZACIVSA-N 1 0 349.818 2.806 20 10 EFCDRO COc1cc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c(O)c(OC)c1 ZINC001237674928 1313689120 /nfs/dbraw/zinc/68/91/20/1313689120.db2.gz NLMHUGWMQDCXTA-GOSISDBHSA-N 1 0 342.439 2.898 20 10 EFCDRO Cc1nc(CC[N@@H+](C)Cc2cc(Br)c(C)cc2O)no1 ZINC001237675846 1313689328 /nfs/dbraw/zinc/68/93/28/1313689328.db2.gz CAWPHLDPCJBFDP-UHFFFAOYSA-N 1 0 340.221 2.829 20 10 EFCDRO C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000854232135 1300480407 /nfs/dbraw/zinc/48/04/07/1300480407.db2.gz MVRPUMWBOMVFCZ-ZETCQYMHSA-N 1 0 343.214 2.504 20 10 EFCDRO C[C@@H]1[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC[N@@H+]1C ZINC000854513762 1300604055 /nfs/dbraw/zinc/60/40/55/1300604055.db2.gz NVARCUINGWHCME-ZIAGYGMSSA-N 1 0 335.411 2.675 20 10 EFCDRO CN(C)c1ccc(/C=C/c2ccc(NS(=O)(=O)CC[NH3+])cc2)cc1 ZINC001237799768 1313708602 /nfs/dbraw/zinc/70/86/02/1313708602.db2.gz GYVVHQJNBNUGOR-ONEGZZNKSA-N 1 0 345.468 2.623 20 10 EFCDRO CCO[C@H](CC)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207574379 1313721510 /nfs/dbraw/zinc/72/15/10/1313721510.db2.gz CJNJWMBFEDREQI-ZWKOTPCHSA-N 1 0 348.487 2.899 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)COC(C)C)C2)cc1C ZINC001207591877 1313725889 /nfs/dbraw/zinc/72/58/89/1313725889.db2.gz KVKACZSCVMFGQT-KRWDZBQOSA-N 1 0 334.460 2.509 20 10 EFCDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000776806852 1300914262 /nfs/dbraw/zinc/91/42/62/1300914262.db2.gz GGSLGMXMIUAKPN-RHSMWYFYSA-N 1 0 332.444 2.968 20 10 EFCDRO CCCOCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207610761 1313729668 /nfs/dbraw/zinc/72/96/68/1313729668.db2.gz FRSCXVMJIDQRAU-KRWDZBQOSA-N 1 0 334.460 2.511 20 10 EFCDRO Oc1cc(Cl)c(F)cc1CN1CCN(CCc2ccncc2)CC1 ZINC001237938005 1313733520 /nfs/dbraw/zinc/73/35/20/1313733520.db2.gz WFLXZICXTUWPPA-UHFFFAOYSA-N 1 0 349.837 2.940 20 10 EFCDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000776866760 1301204008 /nfs/dbraw/zinc/20/40/08/1301204008.db2.gz IVBWBNVSDXQTQY-DJSGYFEHSA-N 1 0 329.824 2.517 20 10 EFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2OCCOC)cc1 ZINC000776869318 1301204291 /nfs/dbraw/zinc/20/42/91/1301204291.db2.gz NUCMRHMCUSZKJE-SNRMKQJTSA-N 1 0 336.476 2.614 20 10 EFCDRO Cc1cc(F)cc(C[N@H+]2C[C@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c1O ZINC001238061688 1313753384 /nfs/dbraw/zinc/75/33/84/1313753384.db2.gz QPSJYSHGFZZIID-GASCZTMLSA-N 1 0 344.386 2.637 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c1O ZINC001238060574 1313753444 /nfs/dbraw/zinc/75/34/44/1313753444.db2.gz JIIUSSWALPHNBT-MJGOQNOKSA-N 1 0 335.419 3.000 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)c1O ZINC001238060573 1313753477 /nfs/dbraw/zinc/75/34/77/1313753477.db2.gz JIIUSSWALPHNBT-IEBWSBKVSA-N 1 0 335.419 3.000 20 10 EFCDRO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3cc(F)cc(C)c3O)C2)n1 ZINC001238068247 1313754995 /nfs/dbraw/zinc/75/49/95/1313754995.db2.gz XNIGKNYMLDGZFJ-MRXNPFEDSA-N 1 0 331.391 2.982 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001238066673 1313755183 /nfs/dbraw/zinc/75/51/83/1313755183.db2.gz IQIGIDSNFVAGBW-UKRRQHHQSA-N 1 0 336.407 2.891 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001238065693 1313754013 /nfs/dbraw/zinc/75/40/13/1313754013.db2.gz YQPJLJXITZLZIV-QDMKHBRRSA-N 1 0 336.407 2.795 20 10 EFCDRO C[C@H]1C[NH2+]C[C@@H]1NS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238179723 1313778487 /nfs/dbraw/zinc/77/84/87/1313778487.db2.gz KFPRYRFCSDYZCV-BXASSPPCSA-N 1 0 344.440 2.988 20 10 EFCDRO O=S(=O)(N[C@H]1CC[NH2+]C1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238186936 1313780848 /nfs/dbraw/zinc/78/08/48/1313780848.db2.gz BJUVBSPJMNAKSY-MJWGMMHASA-N 1 0 330.413 2.742 20 10 EFCDRO CC[C@H](C)OCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207856231 1313789436 /nfs/dbraw/zinc/78/94/36/1313789436.db2.gz AZUSJAHUUIVYME-FUHWJXTLSA-N 1 0 348.487 2.899 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)COC(C)(C)C)C2)cc1C ZINC001207865739 1313791772 /nfs/dbraw/zinc/79/17/72/1313791772.db2.gz HEWFAGRXKBMPEF-KRWDZBQOSA-N 1 0 348.487 2.899 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)CCC[NH+](C)C)c1 ZINC000860604382 1301856808 /nfs/dbraw/zinc/85/68/08/1301856808.db2.gz RAAORDCBZFUADY-UHFFFAOYSA-N 1 0 341.455 2.930 20 10 EFCDRO CC(C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001018325221 1313814408 /nfs/dbraw/zinc/81/44/08/1313814408.db2.gz PGRPSRLBQNSTAE-GASCZTMLSA-N 1 0 329.404 2.546 20 10 EFCDRO [NH3+]C1(CNS(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC001238448890 1313821844 /nfs/dbraw/zinc/82/18/44/1313821844.db2.gz HRJMKRNZLPIXFF-FMQUCBEESA-N 1 0 330.413 2.872 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC(C)(C)C[NH+](C)C)c1 ZINC000861941695 1302254617 /nfs/dbraw/zinc/25/46/17/1302254617.db2.gz GFKVMUQXBQJTRI-UHFFFAOYSA-N 1 0 341.455 2.977 20 10 EFCDRO COC(=O)[C@H]1CC[N@H+](Cc2c(O)cccc2Br)[C@H]1C ZINC000862338289 1302335569 /nfs/dbraw/zinc/33/55/69/1302335569.db2.gz OLFKCJGCFRFDDP-UWVGGRQHSA-N 1 0 328.206 2.538 20 10 EFCDRO CN(C)c1cc(F)c(CN(CC[NH+](C)C)C[C@@H]2CCCO2)cc1F ZINC000862367147 1302349813 /nfs/dbraw/zinc/34/98/13/1302349813.db2.gz XJXHEPZSAWLRJU-HNNXBMFYSA-N 1 0 341.446 2.573 20 10 EFCDRO COc1cc(Br)cc(C[N@H+](C)CC2(C)COC2)c1O ZINC000862477401 1302393996 /nfs/dbraw/zinc/39/39/96/1302393996.db2.gz LNCZQTJXRCDFLD-UHFFFAOYSA-N 1 0 330.222 2.632 20 10 EFCDRO COC(=O)[C@@H](C)Oc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000862476303 1302394969 /nfs/dbraw/zinc/39/49/69/1302394969.db2.gz OYDPOLGTCJSVAO-CQSZACIVSA-N 1 0 329.396 2.931 20 10 EFCDRO Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c(C)n1-c1ccccn1 ZINC000862792131 1302461000 /nfs/dbraw/zinc/46/10/00/1302461000.db2.gz NRINUVNXCLTFDA-QGZVFWFLSA-N 1 0 340.471 2.951 20 10 EFCDRO O=C([C@@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2)N1CCCCO1 ZINC001278257591 1313846465 /nfs/dbraw/zinc/84/64/65/1313846465.db2.gz ZXUGEPINSZDNPO-INIZCTEOSA-N 1 0 348.418 2.687 20 10 EFCDRO CC(C)N1CCC[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)C1=O ZINC000748270925 1313844371 /nfs/dbraw/zinc/84/43/71/1313844371.db2.gz ZYIUZDFLMPBFNQ-APWZRJJASA-N 1 0 345.487 2.573 20 10 EFCDRO O=C([C@H]1CC12C[NH+](Cc1cc(F)ccc1O)C2)N1CCCC12CC2 ZINC001278255062 1313844860 /nfs/dbraw/zinc/84/48/60/1313844860.db2.gz NFKZMKZQXAHQFR-OAHLLOKOSA-N 1 0 330.403 2.508 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C)cc2=O ZINC000119283198 1302540149 /nfs/dbraw/zinc/54/01/49/1302540149.db2.gz LEJQUZCTBVHTAY-SLEUVZQESA-N 1 0 346.431 2.526 20 10 EFCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1C ZINC000119460637 1302616931 /nfs/dbraw/zinc/61/69/31/1302616931.db2.gz SVYYIGZRERDHKX-AWEZNQCLSA-N 1 0 348.468 2.849 20 10 EFCDRO COCCOc1ccc(N2CC[NH+](CC[C@H](C)SC)CC2)cc1 ZINC001208154281 1313858085 /nfs/dbraw/zinc/85/80/85/1313858085.db2.gz MDNHIIZMMKQQII-INIZCTEOSA-N 1 0 338.517 2.975 20 10 EFCDRO CC[C@H](CSC)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000091099904 1303000045 /nfs/dbraw/zinc/00/00/45/1303000045.db2.gz XIEZLBUZTOMUAK-MRXNPFEDSA-N 1 0 337.533 2.784 20 10 EFCDRO CC[C@@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1ccc(C)cc1O ZINC000794811240 1303141974 /nfs/dbraw/zinc/14/19/74/1303141974.db2.gz WJHPFPLHHWYDRR-GOSISDBHSA-N 1 0 347.503 2.684 20 10 EFCDRO O=S(=O)(c1ccc(/N=N/c2ccccc2)cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001239075403 1313899034 /nfs/dbraw/zinc/89/90/34/1313899034.db2.gz WRBQWABDCOIREW-VHJGWARJSA-N 1 0 342.424 2.837 20 10 EFCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc(=O)[nH]c3)cc2F)C[C@H](C)O1 ZINC000865418364 1303247051 /nfs/dbraw/zinc/24/70/51/1303247051.db2.gz ILIKIENEYUBYIF-OKILXGFUSA-N 1 0 345.418 2.830 20 10 EFCDRO CCC[C@@H](CCO)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000865662623 1303358389 /nfs/dbraw/zinc/35/83/89/1303358389.db2.gz BZYZMKFRWRTOQL-LBPRGKRZSA-N 1 0 332.238 2.804 20 10 EFCDRO COc1cccc(O)c1C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000865791379 1303402257 /nfs/dbraw/zinc/40/22/57/1303402257.db2.gz VWUMFOIRTNTNAC-BETUJISGSA-N 1 0 336.432 2.794 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3occc3C)C2)cc1C ZINC001018512291 1313918110 /nfs/dbraw/zinc/91/81/10/1313918110.db2.gz QYCMMJWNHXDTBT-INIZCTEOSA-N 1 0 328.412 2.909 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2CCOC[C@H]2C)c1O ZINC000796496608 1304002183 /nfs/dbraw/zinc/00/21/83/1304002183.db2.gz BLKFQRBFFJZEQS-MNOVXSKESA-N 1 0 344.249 2.926 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3c(C)noc3C)C2)cc1C ZINC000966896221 1304406701 /nfs/dbraw/zinc/40/67/01/1304406701.db2.gz ZZGAJUDVALPXGY-MRXNPFEDSA-N 1 0 343.427 2.613 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc[nH]c3C)C2)cc1C ZINC001018690434 1314004989 /nfs/dbraw/zinc/00/49/89/1314004989.db2.gz IPZYOGYGOTYMMK-INIZCTEOSA-N 1 0 327.428 2.644 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC[C@H]3CCOC3)C2)cc1C ZINC001018693428 1314005524 /nfs/dbraw/zinc/00/55/24/1314005524.db2.gz KDUIUTUYIXDRMZ-WMZOPIPTSA-N 1 0 346.471 2.511 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC000869801335 1304977356 /nfs/dbraw/zinc/97/73/56/1304977356.db2.gz HKSJYCZHYAUFGS-HIFRSBDPSA-N 1 0 330.453 2.952 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)n3cccc3)C2)cc1C ZINC001018731431 1314024421 /nfs/dbraw/zinc/02/44/21/1314024421.db2.gz XGFGLAQEOCARLQ-WMZOPIPTSA-N 1 0 341.455 2.757 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)n3cccc3)C2)cc1C ZINC001018731430 1314024819 /nfs/dbraw/zinc/02/48/19/1314024819.db2.gz XGFGLAQEOCARLQ-AEFFLSMTSA-N 1 0 341.455 2.757 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3csnc3C)C2)cc1C ZINC001018740927 1314029251 /nfs/dbraw/zinc/02/92/51/1314029251.db2.gz FDYCEEDRYTZCJL-HNNXBMFYSA-N 1 0 345.468 2.773 20 10 EFCDRO CCCN1CCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000796520154 1305197855 /nfs/dbraw/zinc/19/78/55/1305197855.db2.gz HYKSUCHVSCCYBB-KRWDZBQOSA-N 1 0 335.467 2.626 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)cc1Cl ZINC001276616851 1314093011 /nfs/dbraw/zinc/09/30/11/1314093011.db2.gz KQQZBKSXPLNDCB-HOTGVXAUSA-N 1 0 347.846 2.928 20 10 EFCDRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2ccccc2O)s1 ZINC000796527788 1305982006 /nfs/dbraw/zinc/98/20/06/1305982006.db2.gz ASTQJRJBSIFJGR-WDEREUQCSA-N 1 0 334.445 2.559 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cncc(C)c3)C2)cc1C ZINC000968283536 1306081372 /nfs/dbraw/zinc/08/13/72/1306081372.db2.gz PQKBQSYLIFDQCK-GOSISDBHSA-N 1 0 339.439 2.711 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc[nH]c3C)C2)cc1C ZINC000968363262 1306193024 /nfs/dbraw/zinc/19/30/24/1306193024.db2.gz IPZYOGYGOTYMMK-MRXNPFEDSA-N 1 0 327.428 2.644 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[C@H]3CCCCO3)C2)cc1C ZINC000968388488 1306235724 /nfs/dbraw/zinc/23/57/24/1306235724.db2.gz TZODIPQYHPPDIG-QZTJIDSGSA-N 1 0 346.471 2.653 20 10 EFCDRO CC(C)CC[NH+]1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001044354444 1306450170 /nfs/dbraw/zinc/45/01/70/1306450170.db2.gz FRVPKLOAWKPMBH-UHFFFAOYSA-N 1 0 331.420 2.651 20 10 EFCDRO Fc1cccc(Cn2ccc3c2ncnc3-c2cnn(C3C[NH2+]C3)c2)c1 ZINC001241592102 1314130328 /nfs/dbraw/zinc/13/03/28/1314130328.db2.gz RRKOCGHRLLARSR-UHFFFAOYSA-N 1 0 348.385 2.627 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CSC)[C@@H](C)C2)cc1C ZINC001044440894 1306509708 /nfs/dbraw/zinc/50/97/08/1306509708.db2.gz KZNIUMZNJLBBEX-HOCLYGCPSA-N 1 0 336.501 2.836 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cn[nH]c3)[C@H](C)C2)cc1C ZINC001044468918 1306536762 /nfs/dbraw/zinc/53/67/62/1306536762.db2.gz AFDKJMZEQKSCTN-RHSMWYFYSA-N 1 0 342.443 2.510 20 10 EFCDRO C[C@@H]1CC[N@H+](CCCF)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000968684665 1306566186 /nfs/dbraw/zinc/56/61/86/1306566186.db2.gz GOVCYUWIAKRJKS-IUODEOHRSA-N 1 0 349.410 2.649 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC(C)(C)O)[C@H](C)C2)cc1C ZINC001044580898 1306632355 /nfs/dbraw/zinc/63/23/55/1306632355.db2.gz QSMDNMRYYWFYHJ-NVXWUHKLSA-N 1 0 348.487 2.634 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]CC2CC2)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001044879925 1306892351 /nfs/dbraw/zinc/89/23/51/1306892351.db2.gz SYTIHKXJEUKUCK-WBMJQRKESA-N 1 0 343.431 2.842 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cc(C)on2)cc1C ZINC001044912674 1306921069 /nfs/dbraw/zinc/92/10/69/1306921069.db2.gz RMPAWLODJIXIML-INIZCTEOSA-N 1 0 343.427 2.694 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C)SC)cc1C ZINC001044939711 1306941436 /nfs/dbraw/zinc/94/14/36/1306941436.db2.gz YSLYKJWWVISRBI-ZBFHGGJFSA-N 1 0 336.501 2.836 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C2=COCCC2)cc1C ZINC001044957318 1306955317 /nfs/dbraw/zinc/95/53/17/1306955317.db2.gz KKCDYVRFABCWMB-SFHVURJKSA-N 1 0 344.455 2.779 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CCCCO2)cc1C ZINC001044996462 1306984350 /nfs/dbraw/zinc/98/43/50/1306984350.db2.gz GNAVOCPARHEKDV-PKOBYXMFSA-N 1 0 346.471 2.653 20 10 EFCDRO COc1ccc(N2CCN(Cc3cc(F)c(O)c(OC)c3)CC2)cc1 ZINC001209521786 1314179165 /nfs/dbraw/zinc/17/91/65/1314179165.db2.gz QKPJPBCCXWNNQA-UHFFFAOYSA-N 1 0 346.402 2.871 20 10 EFCDRO C[NH+]1CCN(Cc2ccc(Nc3ccc4c(c3)OCCN4)cc2)CC1 ZINC001209766279 1314234090 /nfs/dbraw/zinc/23/40/90/1314234090.db2.gz MCIRHXLUBCHEKK-UHFFFAOYSA-N 1 0 338.455 2.982 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)C(F)(F)F)C2)cc1C ZINC001019254624 1314239854 /nfs/dbraw/zinc/23/98/54/1314239854.db2.gz ZTEIXUGBFLJXAR-OCCSQVGLSA-N 1 0 344.377 2.893 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000800965165 1308754407 /nfs/dbraw/zinc/75/44/07/1308754407.db2.gz DSMHDLQIIJUVHV-WMQCIHAUSA-N 1 0 343.515 2.986 20 10 EFCDRO COc1cc(N(C)C)ccc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC001210226756 1314298411 /nfs/dbraw/zinc/29/84/11/1314298411.db2.gz JWVQCZHDXJYTMD-IBGZPJMESA-N 1 0 325.456 2.908 20 10 EFCDRO COC[C@H](C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001210417238 1314330431 /nfs/dbraw/zinc/33/04/31/1314330431.db2.gz OJONFZZLTSYFPH-QAPCUYQASA-N 1 0 348.487 2.757 20 10 EFCDRO Oc1cc(OCc2ccccc2)ccc1CN1CC[NH2+]C[C@H](F)C1 ZINC001210609081 1314358968 /nfs/dbraw/zinc/35/89/68/1314358968.db2.gz CNVPGERYYYIHGT-KRWDZBQOSA-N 1 0 330.403 2.715 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3ccco3)C2)cc1C ZINC001019543776 1314380785 /nfs/dbraw/zinc/38/07/85/1314380785.db2.gz ZASFTNCWUHENTM-INIZCTEOSA-N 1 0 328.412 2.530 20 10 EFCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000801595345 1310571688 /nfs/dbraw/zinc/57/16/88/1310571688.db2.gz MCRLZSDXXYGRGM-OAHLLOKOSA-N 1 0 349.475 2.865 20 10 EFCDRO C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c([O-])ccc4c(C)cc(=O)oc43)(C1)CCC2 ZINC001276826088 1311049055 /nfs/dbraw/zinc/04/90/55/1311049055.db2.gz HMEGFDAIDGIGCL-VQTJNVASSA-N 1 0 342.439 2.961 20 10 EFCDRO CCOC(=O)c1c(CN2CC[C@@]23CCC[NH2+]C3)c2ccccc2n1C ZINC001222197986 1311097709 /nfs/dbraw/zinc/09/77/09/1311097709.db2.gz ROEYHXJAFUPYJB-HXUWFJFHSA-N 1 0 341.455 2.683 20 10 EFCDRO COC(=O)c1c(CN2CCC[C@]3(CCC[NH2+]3)C2)c2ccccc2n1C ZINC001222353786 1311118401 /nfs/dbraw/zinc/11/84/01/1311118401.db2.gz HGDCILBJSYFXEP-HXUWFJFHSA-N 1 0 341.455 2.683 20 10 EFCDRO Oc1cccc(Br)c1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222427564 1311129538 /nfs/dbraw/zinc/12/95/38/1311129538.db2.gz SMMGZJLNDIJOLJ-HNNXBMFYSA-N 1 0 325.250 2.873 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222434063 1311130524 /nfs/dbraw/zinc/13/05/24/1311130524.db2.gz AVJGGSROTIJCPL-LJQANCHMSA-N 1 0 349.906 2.895 20 10 EFCDRO Clc1cc(CN2CC[C@]3(C2)CCCC[NH2+]3)ccc1N1CCOCC1 ZINC001222434988 1311131268 /nfs/dbraw/zinc/13/12/68/1311131268.db2.gz NFTAXXWHLKCGCG-IBGZPJMESA-N 1 0 349.906 2.895 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)c3cocn3)C2)cc1C ZINC001047761431 1311151620 /nfs/dbraw/zinc/15/16/20/1311151620.db2.gz KOOAHLJSWPKYKD-ZBFHGGJFSA-N 1 0 343.427 2.632 20 10 EFCDRO CC(C)(C)c1ccc(O)c(CN2CC[NH2+]C[C@@]3(CCCCN3)C2)c1 ZINC001222684565 1311172588 /nfs/dbraw/zinc/17/25/88/1311172588.db2.gz IVOJGIXDNDGUAC-FQEVSTJZSA-N 1 0 331.504 2.607 20 10 EFCDRO CN1CCO[C@@]2(CCC[N@H+](Cc3cc(C(F)(F)F)ccc3O)C2)C1 ZINC001276837925 1311183284 /nfs/dbraw/zinc/18/32/84/1311183284.db2.gz JFNMMQDZFHLOAA-INIZCTEOSA-N 1 0 344.377 2.708 20 10 EFCDRO CC(C)CC[NH2+]C1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001101055407 1311212945 /nfs/dbraw/zinc/21/29/45/1311212945.db2.gz XQQOJHSBOMPJHP-UHFFFAOYSA-N 1 0 345.447 2.993 20 10 EFCDRO CCOc1ccc(N2CC3(C2)CC[N@H+](Cc2cc(C)nn2C)C3)cc1 ZINC001276926600 1311312300 /nfs/dbraw/zinc/31/23/00/1311312300.db2.gz VTAABTBBPXCBEP-UHFFFAOYSA-N 1 0 340.471 2.840 20 10 EFCDRO COc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cc(C)nn2C)cc1 ZINC001276927312 1311313196 /nfs/dbraw/zinc/31/31/96/1311313196.db2.gz PWXGAEAFUFAALE-OALUTQOASA-N 1 0 326.444 2.590 20 10 EFCDRO Cc1cc(C[NH2+]C23CC(C(=O)NC(C)(C)C)(C2)C3)ccc1N(C)C ZINC001276929297 1311317068 /nfs/dbraw/zinc/31/70/68/1311317068.db2.gz SCCSMSVJUUIKJG-UHFFFAOYSA-N 1 0 329.488 2.988 20 10 EFCDRO CN(C)C(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001276958288 1311363631 /nfs/dbraw/zinc/36/36/31/1311363631.db2.gz ISJLJYCRMYLSBX-AZUAARDMSA-N 1 0 329.488 2.833 20 10 EFCDRO CN(C)C(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001276958290 1311363726 /nfs/dbraw/zinc/36/37/26/1311363726.db2.gz ISJLJYCRMYLSBX-QUCCMNQESA-N 1 0 329.488 2.833 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C23CC(C(=O)N4CCCC45CC5)(C2)C3)cc1 ZINC001276958633 1311366271 /nfs/dbraw/zinc/36/62/71/1311366271.db2.gz RTKCUDQRYSNTOF-UHFFFAOYSA-N 1 0 339.483 2.920 20 10 EFCDRO COc1ccc(N2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c(OC)c1 ZINC001276994334 1311430626 /nfs/dbraw/zinc/43/06/26/1311430626.db2.gz LVBFUEPSBOYMIQ-UHFFFAOYSA-N 1 0 342.443 2.529 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C3CCC3)C[C@@H]2C)cc1C ZINC001048094626 1311451133 /nfs/dbraw/zinc/45/11/33/1311451133.db2.gz BQCVVZJHMPVSRD-YJBOKZPZSA-N 1 0 330.472 2.988 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C)OC)cc1C ZINC001225129428 1311479692 /nfs/dbraw/zinc/47/96/92/1311479692.db2.gz VBYCMRZRDOCZLF-USXIJHARSA-N 1 0 334.460 2.556 20 10 EFCDRO Cc1ccc2c(c1Nc1ccncc1C[NH3+])C(=O)c1ccccc1C2=O ZINC001159557324 1311541556 /nfs/dbraw/zinc/54/15/56/1311541556.db2.gz ILQXIKZQRHNHAS-UHFFFAOYSA-N 1 0 343.386 2.790 20 10 EFCDRO COC[C@H](C)[C@H](C)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001159657332 1311560095 /nfs/dbraw/zinc/56/00/95/1311560095.db2.gz BESGJNFVYVJEBQ-HOTGVXAUSA-N 1 0 336.476 2.518 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(NC=C3CC[NH2+]CC3)ccc(O)c21 ZINC001159783312 1311583597 /nfs/dbraw/zinc/58/35/97/1311583597.db2.gz IFAKOOHZTAECKQ-UHFFFAOYSA-N 1 0 334.375 2.847 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)c3cc[nH]c3)C[C@@H]2C)cc1C ZINC001048257517 1311609013 /nfs/dbraw/zinc/60/90/13/1311609013.db2.gz BHTNNLXTBFYLRE-YJBOKZPZSA-N 1 0 341.455 2.830 20 10 EFCDRO O=C(NCCC[NH2+]Cc1c(O)cccc1Cl)c1cccc(O)c1 ZINC000113332573 1311728851 /nfs/dbraw/zinc/72/88/51/1311728851.db2.gz LJXVXZYGKNMHIH-UHFFFAOYSA-N 1 0 334.803 2.661 20 10 EFCDRO [NH3+][C@H](CC(=O)N1CCc2cccc(O)c2C1)Cc1ccc(F)c(F)c1 ZINC001160872614 1311800063 /nfs/dbraw/zinc/80/00/63/1311800063.db2.gz MZJQFOQHQTYMKO-AWEZNQCLSA-N 1 0 346.377 2.515 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1([NH3+])CCc2ccccc21 ZINC001161134840 1311867155 /nfs/dbraw/zinc/86/71/55/1311867155.db2.gz PTEXRLVYMVNVID-OAQYLSRUSA-N 1 0 337.467 2.902 20 10 EFCDRO CN1CCCc2cc(C[NH+]3CCC4(CC[C@H](C(N)=O)C4)CC3)ccc21 ZINC001277254054 1311875624 /nfs/dbraw/zinc/87/56/24/1311875624.db2.gz NIGNORHFEGCOMK-SFHVURJKSA-N 1 0 341.499 2.937 20 10 EFCDRO CCOc1ccc(C[N@H+](CCNC(C)=O)Cc2ccsc2)c(O)c1 ZINC000802652300 1311886662 /nfs/dbraw/zinc/88/66/62/1311886662.db2.gz CORODFCDNANQHZ-UHFFFAOYSA-N 1 0 348.468 2.991 20 10 EFCDRO COc1ccc(O)c(C[N@H+](CCNC(C)=O)Cc2ccc(C)s2)c1 ZINC000802652947 1311888484 /nfs/dbraw/zinc/88/84/84/1311888484.db2.gz MLYSYKJRKQKWFQ-UHFFFAOYSA-N 1 0 348.468 2.909 20 10 EFCDRO O=C(Cc1ccccc1)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000802658417 1311892726 /nfs/dbraw/zinc/89/27/26/1311892726.db2.gz ZKCFOGLFBSYPBZ-SFHVURJKSA-N 1 0 342.414 2.855 20 10 EFCDRO OC[C@]1(F)CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000802660908 1311895570 /nfs/dbraw/zinc/89/55/70/1311895570.db2.gz ZHGPEPHMXULKEQ-IBGZPJMESA-N 1 0 331.387 2.878 20 10 EFCDRO OC[C@@]1(F)CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000802660909 1311895907 /nfs/dbraw/zinc/89/59/07/1311895907.db2.gz ZHGPEPHMXULKEQ-LJQANCHMSA-N 1 0 331.387 2.878 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCC3(C[C@H]3C(N)=O)CC2)c(OC)c1 ZINC001277295237 1311939074 /nfs/dbraw/zinc/93/90/74/1311939074.db2.gz GHWAYHSDYMIRRR-KRWDZBQOSA-N 1 0 345.487 2.629 20 10 EFCDRO CCCc1n[nH]cc1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001161663949 1311944398 /nfs/dbraw/zinc/94/43/98/1311944398.db2.gz UXFONLRQHQSFPL-UHFFFAOYSA-N 1 0 344.459 2.589 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2c[nH]nc2C(C)C)cc1C ZINC001161676714 1311948652 /nfs/dbraw/zinc/94/86/52/1311948652.db2.gz SUHAQWUVUPBTOB-UHFFFAOYSA-N 1 0 344.459 2.760 20 10 EFCDRO Cc1cc(O[C@H](C)C[NH+](C)C)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001229540129 1312111340 /nfs/dbraw/zinc/11/13/40/1312111340.db2.gz BWPGBUHFJRFDJG-GFCCVEGCSA-N 1 0 339.391 2.805 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](C)CC(F)F)cc1C ZINC001162719890 1312159664 /nfs/dbraw/zinc/15/96/64/1312159664.db2.gz OWVNUNQKEKDRCF-ZDUSSCGKSA-N 1 0 328.403 2.891 20 10 EFCDRO CCN(C(=O)C[C@H]1C[C@@H]2C[N@H+](Cc3ccccc3O)C[C@@H]2O1)C(C)C ZINC001277442755 1312179619 /nfs/dbraw/zinc/17/96/19/1312179619.db2.gz YXZHIIDPUAHUAZ-LMMKCTJWSA-N 1 0 346.471 2.629 20 10 EFCDRO COc1cccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NC(C)(C)C)c1O ZINC001277451569 1312211927 /nfs/dbraw/zinc/21/19/27/1312211927.db2.gz GSFPLDURJYHCNC-XOIINTDNSA-N 1 0 346.471 2.774 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@]3(CCC[C@@H]3C(=O)N(C)C)C2)c1O ZINC001277454499 1312230947 /nfs/dbraw/zinc/23/09/47/1312230947.db2.gz UIINLRIMEKWAPW-UZLBHIALSA-N 1 0 346.471 2.871 20 10 EFCDRO CCN(C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc(OC)cc1O)C(C)C ZINC001277457518 1312249009 /nfs/dbraw/zinc/24/90/09/1312249009.db2.gz OVQMGHQBRAUYEJ-HNAYVOBHSA-N 1 0 332.444 2.622 20 10 EFCDRO O=C([C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(Cl)ccc1O)C2)N1CC=CC1 ZINC001277456557 1312253713 /nfs/dbraw/zinc/25/37/13/1312253713.db2.gz AXPJHQUVIOCFRC-ZSBFGKGUSA-N 1 0 346.858 2.902 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)OCC(F)(F)F)[NH+](C)C)cc1 ZINC000903046743 1312307705 /nfs/dbraw/zinc/30/77/05/1312307705.db2.gz YQZSZCQMOLQSRP-ZDUSSCGKSA-N 1 0 333.354 2.644 20 10 EFCDRO CCCOCC(=O)NCCC1(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001163703714 1312367893 /nfs/dbraw/zinc/36/78/93/1312367893.db2.gz KSTBVKJOHQNFMY-UHFFFAOYSA-N 1 0 348.487 2.806 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)CCNS(=O)(=O)c1ccccc1)c1ccccc1O ZINC000903231557 1312482986 /nfs/dbraw/zinc/48/29/86/1312482986.db2.gz OCVBBFGJBCBRHM-LSDHHAIUSA-N 1 0 348.468 2.800 20 10 EFCDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000903233512 1312484305 /nfs/dbraw/zinc/48/43/05/1312484305.db2.gz GPZLMOSHMWLWMA-CYBMUJFWSA-N 1 0 334.441 2.541 20 10 EFCDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000903235860 1312486491 /nfs/dbraw/zinc/48/64/91/1312486491.db2.gz WQPBONUPQGETIS-AWEZNQCLSA-N 1 0 348.468 2.850 20 10 EFCDRO Cc1ncsc1CN1CC2(C1)C[NH+](Cc1cc(F)cc(C)c1O)C2 ZINC001277518994 1312498864 /nfs/dbraw/zinc/49/88/64/1312498864.db2.gz HVFZZGWQYZHTJI-UHFFFAOYSA-N 1 0 347.459 2.922 20 10 EFCDRO C[NH+]1CCC(C2CC[NH+](Cc3ccc(C(=O)[O-])cc3O)CC2)CC1 ZINC001231452944 1312501001 /nfs/dbraw/zinc/50/10/01/1312501001.db2.gz XPDBYYOGQPJJAA-UHFFFAOYSA-N 1 0 332.444 2.644 20 10 EFCDRO Oc1cc(OCc2ccccc2)ccc1C[NH+]1CC2(CC(O)C2)C1 ZINC001231466724 1312505975 /nfs/dbraw/zinc/50/59/75/1312505975.db2.gz SYMPJPOSPZODBV-UHFFFAOYSA-N 1 0 325.408 2.928 20 10 EFCDRO COc1ccc(Br)c(C[N@@H+]2CC[C@H](O)C[C@H]2C)c1O ZINC001231553744 1312524491 /nfs/dbraw/zinc/52/44/91/1312524491.db2.gz BUTJCSMYIFAWBL-ZJUUUORDSA-N 1 0 330.222 2.509 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(CCC[C@H]3C(N)=O)C2)c(O)c1 ZINC001277533339 1312526028 /nfs/dbraw/zinc/52/60/28/1312526028.db2.gz FWYBLEFJJDUBOD-PXNSSMCTSA-N 1 0 345.487 2.716 20 10 EFCDRO Cc1cccc(CN2CCn3c(C[N@@H+](C)C(C)C)cnc3C2)c1O ZINC001231591422 1312528880 /nfs/dbraw/zinc/52/88/80/1312528880.db2.gz CJGMVZMXCZFRAU-UHFFFAOYSA-N 1 0 328.460 2.753 20 10 EFCDRO COc1cc(C[NH+]2CCC(COc3cccnc3)CC2)c(O)cc1O ZINC001231634005 1312536335 /nfs/dbraw/zinc/53/63/35/1312536335.db2.gz FVIDSKCHISWEJT-UHFFFAOYSA-N 1 0 344.411 2.792 20 10 EFCDRO COc1cc(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)c(O)cc1O ZINC001231637517 1312536683 /nfs/dbraw/zinc/53/66/83/1312536683.db2.gz IHIMYHJWPLYWAY-LSDHHAIUSA-N 1 0 338.423 2.505 20 10 EFCDRO COc1cc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c(O)cc1O ZINC001231637772 1312536764 /nfs/dbraw/zinc/53/67/64/1312536764.db2.gz ROVSLENXGQOENK-OAHLLOKOSA-N 1 0 349.349 2.632 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3cccnc3)C2)c(O)cc1O ZINC001231635987 1312537143 /nfs/dbraw/zinc/53/71/43/1312537143.db2.gz NJPGMZXJLBABLY-OAHLLOKOSA-N 1 0 330.384 2.545 20 10 EFCDRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(OC)c(O)cc1O ZINC001231640165 1312537560 /nfs/dbraw/zinc/53/75/60/1312537560.db2.gz PNUWLRRPQUESKY-UHFFFAOYSA-N 1 0 331.368 2.857 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c(O)cc1O ZINC001231639126 1312538001 /nfs/dbraw/zinc/53/80/01/1312538001.db2.gz CUDHWXMBVIASBK-CQSZACIVSA-N 1 0 327.380 2.811 20 10 EFCDRO COc1cc(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c(O)cc1O ZINC001231639755 1312538053 /nfs/dbraw/zinc/53/80/53/1312538053.db2.gz IUXKQMBIWWRQEZ-IYBDPMFKSA-N 1 0 340.423 2.675 20 10 EFCDRO CCOc1ccc(N2CC[NH+](Cc3nc(C)ccc3O)CC2)cc1 ZINC001231674655 1312548164 /nfs/dbraw/zinc/54/81/64/1312548164.db2.gz BOUOQNVWFUKNLY-UHFFFAOYSA-N 1 0 327.428 2.817 20 10 EFCDRO Cc1ccc(C[NH+]2CC3(C2)SCC[C@H]3C(=O)NC(C)(C)C)c(O)c1 ZINC001277568814 1312568230 /nfs/dbraw/zinc/56/82/30/1312568230.db2.gz RGLDIGYKTRCWAY-HNNXBMFYSA-N 1 0 348.512 2.923 20 10 EFCDRO Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CC(F)(C3CC3)C2)c(O)c1 ZINC001277568660 1312568299 /nfs/dbraw/zinc/56/82/99/1312568299.db2.gz UGLRAQCOZQHOCT-UZLBHIALSA-N 1 0 344.430 2.626 20 10 EFCDRO CCn1cc2c(n1)C[N@@H+](Cc1c(C)cc(C)cc1O)C[C@@H]2COC ZINC001231843771 1312572961 /nfs/dbraw/zinc/57/29/61/1312572961.db2.gz GEYJFVLVCHIJJW-OAHLLOKOSA-N 1 0 329.444 2.971 20 10 EFCDRO COc1ccnc(OC2CC[NH+](Cc3c(C)cc(C)cc3O)CC2)n1 ZINC001231850917 1312574131 /nfs/dbraw/zinc/57/41/31/1312574131.db2.gz WLSLQIFNIUXFDN-UHFFFAOYSA-N 1 0 343.427 2.851 20 10 EFCDRO Cc1cc(C)c(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)c(O)c1 ZINC001231851093 1312574135 /nfs/dbraw/zinc/57/41/35/1312574135.db2.gz ZWEMASBESQLHNE-UHFFFAOYSA-N 1 0 340.423 2.673 20 10 EFCDRO CC[C@H]1[N@H+](Cc2ccc(N(C)C)cc2OC)CCC[C@]12CCC(=O)N2 ZINC001231851701 1312574140 /nfs/dbraw/zinc/57/41/40/1312574140.db2.gz AUAMTAFVEZGKNP-QUCCMNQESA-N 1 0 345.487 2.784 20 10 EFCDRO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231848611 1312574435 /nfs/dbraw/zinc/57/44/35/1312574435.db2.gz IPQGWFZIVIBUKG-QGZVFWFLSA-N 1 0 347.503 2.842 20 10 EFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(N2CC(F)(F)C2)CC1 ZINC001231853124 1312574673 /nfs/dbraw/zinc/57/46/73/1312574673.db2.gz GCJGFMMSVSXSFY-UHFFFAOYSA-N 1 0 339.430 2.677 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001231852991 1312575295 /nfs/dbraw/zinc/57/52/95/1312575295.db2.gz CXHSUWZDCFVOQZ-GOSISDBHSA-N 1 0 327.428 2.810 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001231855064 1312576158 /nfs/dbraw/zinc/57/61/58/1312576158.db2.gz PZDCJSUZRBUDLR-INIZCTEOSA-N 1 0 326.387 2.761 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)cc1Cl ZINC001231870862 1312578531 /nfs/dbraw/zinc/57/85/31/1312578531.db2.gz BTRFFHPZGZUYCF-ZDUSSCGKSA-N 1 0 337.782 2.936 20 10 EFCDRO CC[NH+](CC)C[C@@H]1CN(Cc2cc(Cl)c(C)cc2O)CCO1 ZINC001231871213 1312578698 /nfs/dbraw/zinc/57/86/98/1312578698.db2.gz FWZNBSYYPMQFMY-OAHLLOKOSA-N 1 0 326.868 2.897 20 10 EFCDRO Cc1ccnc(N2CC[NH+](Cc3ccc4ccccc4c3O)CC2)n1 ZINC001231882186 1312579767 /nfs/dbraw/zinc/57/97/67/1312579767.db2.gz FQCSQRGVGHKFPJ-UHFFFAOYSA-N 1 0 334.423 2.966 20 10 EFCDRO Cc1cnc(N2CC[NH+](Cc3ccc4ccccc4c3O)CC2)nc1 ZINC001231884081 1312580311 /nfs/dbraw/zinc/58/03/11/1312580311.db2.gz VVTFGQSWUBBMRP-UHFFFAOYSA-N 1 0 334.423 2.966 20 10 EFCDRO Oc1c(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H](F)C2)ccc2ccccc21 ZINC001231883880 1312580632 /nfs/dbraw/zinc/58/06/32/1312580632.db2.gz SECRZDBGRFQDLD-RBUKOAKNSA-N 1 0 344.430 2.790 20 10 EFCDRO Cc1cc(N2CC[NH+](Cc3ccc4ccccc4c3O)CC2)ncn1 ZINC001231883332 1312580656 /nfs/dbraw/zinc/58/06/56/1312580656.db2.gz OQILENSERYRQCV-UHFFFAOYSA-N 1 0 334.423 2.966 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]CC2(O)CCC3(CC2)OCCO3)c(O)c1C ZINC000903371343 1312607231 /nfs/dbraw/zinc/60/72/31/1312607231.db2.gz ASKPVLTZKXKWIR-OAHLLOKOSA-N 1 0 335.444 2.708 20 10 EFCDRO Clc1cc(C[N@@H+]2CC[C@]3(CCCO3)C2)ccc1N1CCOCC1 ZINC001232195194 1312646160 /nfs/dbraw/zinc/64/61/60/1312646160.db2.gz RMFXUXBIGNHWBT-GOSISDBHSA-N 1 0 336.863 2.932 20 10 EFCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C[C@]1(C)O ZINC001232194293 1312646213 /nfs/dbraw/zinc/64/62/13/1312646213.db2.gz HXTMIQHBRLOOMH-KDOFPFPSSA-N 1 0 338.879 2.769 20 10 EFCDRO Clc1cc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)ccc1N1CCOCC1 ZINC001232195365 1312646306 /nfs/dbraw/zinc/64/63/06/1312646306.db2.gz STTIFXHQXUEURZ-QAPCUYQASA-N 1 0 336.863 2.787 20 10 EFCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)[C@H]1CO ZINC001232194200 1312646389 /nfs/dbraw/zinc/64/63/89/1312646389.db2.gz DTIDJYILQOTVOT-KDOFPFPSSA-N 1 0 338.879 2.769 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@@]1(C)O ZINC001232194571 1312646479 /nfs/dbraw/zinc/64/64/79/1312646479.db2.gz JXPCRFOOITZGRZ-RDTXWAMCSA-N 1 0 338.879 2.769 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CCC[C@H]1O ZINC001232195852 1312647126 /nfs/dbraw/zinc/64/71/26/1312647126.db2.gz ZMZGPVUHOLBCQD-RDTXWAMCSA-N 1 0 338.879 2.769 20 10 EFCDRO Clc1cc(CN2CC[NH+](C3CCC3)CC2)ccc1N1CCOCC1 ZINC001232198455 1312647138 /nfs/dbraw/zinc/64/71/38/1312647138.db2.gz SPMGRVPCEFZMLC-UHFFFAOYSA-N 1 0 349.906 2.847 20 10 EFCDRO CC[N@@H+]1CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232196564 1312647308 /nfs/dbraw/zinc/64/73/08/1312647308.db2.gz AZIUKIQFWXPMLL-UHFFFAOYSA-N 1 0 337.895 2.704 20 10 EFCDRO CC(C)[NH+]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232198349 1312647486 /nfs/dbraw/zinc/64/74/86/1312647486.db2.gz RHBQQULSAGALLC-UHFFFAOYSA-N 1 0 337.895 2.703 20 10 EFCDRO Clc1cc(CN2CC[NH+](CC3CC3)CC2)ccc1N1CCOCC1 ZINC001232203573 1312648970 /nfs/dbraw/zinc/64/89/70/1312648970.db2.gz YOHVZTNSQDGRPJ-UHFFFAOYSA-N 1 0 349.906 2.704 20 10 EFCDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232260310 1312659896 /nfs/dbraw/zinc/65/98/96/1312659896.db2.gz VBRUVDXUATZPBJ-SFHVURJKSA-N 1 0 344.798 2.847 20 10 EFCDRO CCc1ncnc2c1CC[N@H+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232259137 1312660030 /nfs/dbraw/zinc/66/00/30/1312660030.db2.gz AHIZHCSPAHOLNK-UHFFFAOYSA-N 1 0 333.819 2.704 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC(Oc3cnccn3)CC2)cc1Cl ZINC001232263004 1312660819 /nfs/dbraw/zinc/66/08/19/1312660819.db2.gz ZSUJFFBMUMKJLT-UHFFFAOYSA-N 1 0 335.791 2.585 20 10 EFCDRO CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232262409 1312660860 /nfs/dbraw/zinc/66/08/60/1312660860.db2.gz GGKDFLAOZAKBMO-INIZCTEOSA-N 1 0 327.808 2.916 20 10 EFCDRO O=C1CCCCN1C1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232262258 1312660919 /nfs/dbraw/zinc/66/09/19/1312660919.db2.gz DJICIISZDOYZGX-UHFFFAOYSA-N 1 0 338.835 2.728 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3ncccn3)C2)cc1Cl ZINC001232263338 1312661245 /nfs/dbraw/zinc/66/12/45/1312661245.db2.gz NDNZTWKELNFSKF-LBPRGKRZSA-N 1 0 335.791 2.585 20 10 EFCDRO Cc1cc(OC2CC[NH+](Cc3cc(Cl)c(O)cc3O)CC2)ncn1 ZINC001232266264 1312662004 /nfs/dbraw/zinc/66/20/04/1312662004.db2.gz SSYUSHFRWXSEQX-UHFFFAOYSA-N 1 0 349.818 2.893 20 10 EFCDRO Cc1cncnc1OC1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232266190 1312662185 /nfs/dbraw/zinc/66/21/85/1312662185.db2.gz RMRRVUWGDPAXMJ-UHFFFAOYSA-N 1 0 349.818 2.893 20 10 EFCDRO CCN1CC2(CC1=O)CC[NH+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232264411 1312662293 /nfs/dbraw/zinc/66/22/93/1312662293.db2.gz HCPLKCUDOGERTO-UHFFFAOYSA-N 1 0 338.835 2.586 20 10 EFCDRO COCC[N@H+](Cc1cc(Cl)c(OC)cc1O)C1CCN(C)CC1 ZINC001232264731 1312662338 /nfs/dbraw/zinc/66/23/38/1312662338.db2.gz LRZFMLXESBLJEB-UHFFFAOYSA-N 1 0 342.867 2.597 20 10 EFCDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)c(OC)cc1O)C2 ZINC001232268086 1312662625 /nfs/dbraw/zinc/66/26/25/1312662625.db2.gz LWLHRVIPSXGIGS-LOWVWBTDSA-N 1 0 339.819 2.828 20 10 EFCDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232269449 1312662947 /nfs/dbraw/zinc/66/29/47/1312662947.db2.gz AVTLSMSAVPZDEG-PWSUYJOCSA-N 1 0 327.808 2.685 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC3(CCNC(=O)O3)CC2)cc1Cl ZINC001232268428 1312662976 /nfs/dbraw/zinc/66/29/76/1312662976.db2.gz NRQHXSGPABESGX-UHFFFAOYSA-N 1 0 340.807 2.519 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3ncccn3)C2)cc1Cl ZINC001232270603 1312663811 /nfs/dbraw/zinc/66/38/11/1312663811.db2.gz HGXLPKSCWVFUIL-CYBMUJFWSA-N 1 0 349.818 2.888 20 10 EFCDRO COCC[C@@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001211170303 1314445049 /nfs/dbraw/zinc/44/50/49/1314445049.db2.gz WXELOIJRGLVRHK-QAPCUYQASA-N 1 0 348.487 2.757 20 10 EFCDRO CC[C@@H](F)C[NH2+][C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001211344937 1314480381 /nfs/dbraw/zinc/48/03/81/1314480381.db2.gz HCPJTPPBABBHPB-HIFRSBDPSA-N 1 0 349.410 2.791 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C1=CC[C@H]([NH+]2CCOCC2)CC1 ZINC001245425584 1314488825 /nfs/dbraw/zinc/48/88/25/1314488825.db2.gz PMDPMQQCWIUOHX-FQEVSTJZSA-N 1 0 328.456 2.791 20 10 EFCDRO Oc1c(C[NH+]2CC3(CCN3Cc3cn[nH]c3)C2)ccc2ccccc21 ZINC001276374031 1314584945 /nfs/dbraw/zinc/58/49/45/1314584945.db2.gz PLAYZIGQPQYVBW-UHFFFAOYSA-N 1 0 334.423 2.729 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCO[C@H]3C)C2)cc1C ZINC001020109615 1314614586 /nfs/dbraw/zinc/61/45/86/1314614586.db2.gz WBFGCMWRNOMUMH-DKIMLUQUSA-N 1 0 346.471 2.556 20 10 EFCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CN1 ZINC001246522426 1314641539 /nfs/dbraw/zinc/64/15/39/1314641539.db2.gz CMOYYURMOPYNCK-YEWWUXTCSA-N 1 0 346.471 2.516 20 10 EFCDRO COc1ccc(N2CCN([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)CC2)cc1 ZINC001246521756 1314641711 /nfs/dbraw/zinc/64/17/11/1314641711.db2.gz QREIVDICJNHATB-IEBWSBKVSA-N 1 0 331.504 2.984 20 10 EFCDRO COc1ccc(N2CCN([C@@H]3CC[NH2+][C@@H](C(C)C)C3)CC2)c(C)c1 ZINC001246935068 1314710654 /nfs/dbraw/zinc/71/06/54/1314710654.db2.gz QGAFGACWKQJRGJ-IEBWSBKVSA-N 1 0 331.504 2.902 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3ccccc3)C2)cc1C ZINC001020302859 1314720752 /nfs/dbraw/zinc/72/07/52/1314720752.db2.gz VLLMTMLQJPARQP-WGSAOQKQSA-N 1 0 338.451 2.983 20 10 EFCDRO C[C@H]1C[C@@H](N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246997998 1314727594 /nfs/dbraw/zinc/72/75/94/1314727594.db2.gz WUMJYLAAWVXAKT-ZFWWWQNUSA-N 1 0 343.393 2.848 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[C@H]3OC)C2)cc1C ZINC001020314466 1314728524 /nfs/dbraw/zinc/72/85/24/1314728524.db2.gz QKPKVBALPOJGHW-LSTDLKDCSA-N 1 0 346.471 2.556 20 10 EFCDRO C[NH+](C)Cc1ccc(-c2noc(-c3cc(O)c(O)c(O)c3)n2)cc1 ZINC001215327773 1314816086 /nfs/dbraw/zinc/81/60/86/1314816086.db2.gz SDVQFJSZHYDFLG-UHFFFAOYSA-N 1 0 327.340 2.582 20 10 EFCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)cc1Cl ZINC001248879769 1314990453 /nfs/dbraw/zinc/99/04/53/1314990453.db2.gz DBEQGABTOHSCTA-FUHWJXTLSA-N 1 0 341.879 2.908 20 10 EFCDRO N#Cc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1F ZINC000404674853 1315010249 /nfs/dbraw/zinc/01/02/49/1315010249.db2.gz FUVXLNKNAILISI-UHFFFAOYSA-N 1 0 325.387 2.824 20 10 EFCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1[NH2+]C/C=C/Cl ZINC001216906145 1315021412 /nfs/dbraw/zinc/02/14/12/1315021412.db2.gz UVZMBUPTVORTAZ-IWIXKGEHSA-N 1 0 349.822 2.652 20 10 EFCDRO CC1(C)C=Cc2c(O)c(C[NH+]3CCC4(C[C@@H](O)CO4)CC3)ccc2O1 ZINC001249230574 1315036334 /nfs/dbraw/zinc/03/63/34/1315036334.db2.gz LUCDJUDPVBADNG-OAHLLOKOSA-N 1 0 345.439 2.692 20 10 EFCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCO[C@@H]4C[C@H](CO)C[C@H]43)ccc2O1 ZINC001249231021 1315036416 /nfs/dbraw/zinc/03/64/16/1315036416.db2.gz ZQXQJHPKNAFYQS-MZMPZRCHSA-N 1 0 345.439 2.548 20 10 EFCDRO C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1ccc3c(c1O)C=CC(C)(C)O3)C2 ZINC001249258444 1315040951 /nfs/dbraw/zinc/04/09/51/1315040951.db2.gz ICUNXLIAOQJWEN-FOIQADDNSA-N 1 0 328.456 2.960 20 10 EFCDRO [NH3+][C@H](Cc1nc(-c2ccc(-n3ccnc3)cc2)no1)c1ccccc1O ZINC001249338790 1315056126 /nfs/dbraw/zinc/05/61/26/1315056126.db2.gz CDZMTEWCIWXSMZ-MRXNPFEDSA-N 1 0 347.378 2.870 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@H]3CCC[NH2+]C[C@H]3F)ccc21 ZINC001217952252 1315124448 /nfs/dbraw/zinc/12/44/48/1315124448.db2.gz VVUSHTPTUDFNEH-MSOLQXFVSA-N 1 0 339.366 2.931 20 10 EFCDRO Cc1c(O)cc2c(c1O[C@@H]1CCC[NH2+]C1)C(=O)c1ccccc1C2=O ZINC001217963090 1315125918 /nfs/dbraw/zinc/12/59/18/1315125918.db2.gz OEXXZPVUPNGJHJ-GFCCVEGCSA-N 1 0 337.375 2.607 20 10 EFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3CCCC[NH2+]C3)cccc21 ZINC001217972528 1315127443 /nfs/dbraw/zinc/12/74/43/1315127443.db2.gz SJOHRYTVNBWBRD-GFCCVEGCSA-N 1 0 337.375 2.689 20 10 EFCDRO COc1ccc2c(c1O[C@@H]1C[NH2+][C@H](C)C1)C(=O)c1ccccc1C2=O ZINC001218046821 1315138949 /nfs/dbraw/zinc/13/89/49/1315138949.db2.gz WYMYLRBZFXVVCX-NEPJUHHUSA-N 1 0 337.375 2.600 20 10 EFCDRO Cc1cc(O[C@@H]2C[NH2+][C@H](C)C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218045914 1315138980 /nfs/dbraw/zinc/13/89/80/1315138980.db2.gz HZZYCVLPXURRJO-NEPJUHHUSA-N 1 0 337.375 2.605 20 10 EFCDRO C[C@H]1C[C@H](Oc2cccc3c2C(=O)c2c(O)cccc2C3=O)CC[NH2+]1 ZINC001218050231 1315139703 /nfs/dbraw/zinc/13/97/03/1315139703.db2.gz PVRLNZMADHQXGB-NWDGAFQWSA-N 1 0 337.375 2.687 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3CC[NH2+]C[C@H]3F)ccc21 ZINC001218074460 1315143835 /nfs/dbraw/zinc/14/38/35/1315143835.db2.gz ZYFWFOYZRAQDDL-IAGOWNOFSA-N 1 0 325.339 2.541 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@H]3CC[NH2+]C[C@H]3F)ccc21 ZINC001218074463 1315144058 /nfs/dbraw/zinc/14/40/58/1315144058.db2.gz ZYFWFOYZRAQDDL-SJORKVTESA-N 1 0 325.339 2.541 20 10 EFCDRO Cc1cc(O[C@@H]2C[C@H]3C[C@@H]2C[NH2+]3)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218111231 1315150533 /nfs/dbraw/zinc/15/05/33/1315150533.db2.gz PIURDTVYADRCRO-XHBSWPGZSA-N 1 0 349.386 2.605 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3CC[C@@]34CC[NH2+]C4)cccc21 ZINC001218121443 1315151933 /nfs/dbraw/zinc/15/19/33/1315151933.db2.gz ZIFNRMLKPKRZSR-UWJYYQICSA-N 1 0 333.387 2.983 20 10 EFCDRO FC(F)(F)C(Oc1ccc(N2CC[NH2+]CC2)cc1)C(F)(F)F ZINC001218177261 1315158874 /nfs/dbraw/zinc/15/88/74/1315158874.db2.gz LOPANNIHDMVCSM-UHFFFAOYSA-N 1 0 328.256 2.968 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3CCC4(C[NH2+]C4)C3)ccc21 ZINC001218238889 1315168718 /nfs/dbraw/zinc/16/87/18/1315168718.db2.gz RSZRXHZJOCWXOE-CQSZACIVSA-N 1 0 333.387 2.983 20 10 EFCDRO Cc1c(O)cc2c(c1O[C@H]1CCC13C[NH2+]C3)C(=O)c1ccccc1C2=O ZINC001218242779 1315170340 /nfs/dbraw/zinc/17/03/40/1315170340.db2.gz UPHFNPOSIRYKIE-INIZCTEOSA-N 1 0 349.386 2.607 20 10 EFCDRO Cc1c(O)cc2c(c1O[C@@H]1CCC13C[NH2+]C3)C(=O)c1ccccc1C2=O ZINC001218242780 1315170677 /nfs/dbraw/zinc/17/06/77/1315170677.db2.gz UPHFNPOSIRYKIE-MRXNPFEDSA-N 1 0 349.386 2.607 20 10 EFCDRO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c(O)cc1Br ZINC001250120516 1315174720 /nfs/dbraw/zinc/17/47/20/1315174720.db2.gz GYXFYQZFIHXWRW-CHWSQXEVSA-N 1 0 332.213 2.758 20 10 EFCDRO Cc1cc(CN2CCC[C@H]3C[N@@H+](C)C[C@@H]32)c(O)cc1Br ZINC001250128839 1315176831 /nfs/dbraw/zinc/17/68/31/1315176831.db2.gz MBHAACIHTSXXIE-WFASDCNBSA-N 1 0 339.277 2.989 20 10 EFCDRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C)c(Br)cc2O)C1 ZINC001250133999 1315177031 /nfs/dbraw/zinc/17/70/31/1315177031.db2.gz UPMAATKRYYODON-CYBMUJFWSA-N 1 0 341.249 2.516 20 10 EFCDRO COC(=O)C[C@@H]1CCC[C@@H](Oc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218341343 1315181953 /nfs/dbraw/zinc/18/19/53/1315181953.db2.gz MMBQULGTUUNALC-CRAIPNDOSA-N 1 0 332.444 2.597 20 10 EFCDRO COc1ccccc1OC[C@@H](C)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218357370 1315183671 /nfs/dbraw/zinc/18/36/71/1315183671.db2.gz WKIQEYRLLWHXOL-MRXNPFEDSA-N 1 0 342.439 2.951 20 10 EFCDRO COc1ccc(OC[C@H](C)Oc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001218356815 1315183912 /nfs/dbraw/zinc/18/39/12/1315183912.db2.gz DIYCUYHAWGHDJL-INIZCTEOSA-N 1 0 342.439 2.951 20 10 EFCDRO C[C@H]1CC[C@@H](Oc2c(O)c(O)ccc2C(=O)c2ccccc2)C[NH2+]1 ZINC001218399402 1315189778 /nfs/dbraw/zinc/18/97/78/1315189778.db2.gz PZYBLYJNXHUPNJ-GXTWGEPZSA-N 1 0 327.380 2.848 20 10 EFCDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001218418456 1315193493 /nfs/dbraw/zinc/19/34/93/1315193493.db2.gz ZJZWHSFMIGDWEA-NHYWBVRUSA-N 1 0 337.375 2.544 20 10 EFCDRO C[C@H]1C[NH2+]CC[C@H]1Oc1c(O)ccc2c1C(=O)c1ccccc1C2=O ZINC001218421381 1315193610 /nfs/dbraw/zinc/19/36/10/1315193610.db2.gz WBQBNJIFQIOWTP-MEDUHNTESA-N 1 0 337.375 2.544 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@H]3C[NH2+]CCC3(F)F)ccc21 ZINC001218451869 1315198277 /nfs/dbraw/zinc/19/82/77/1315198277.db2.gz HOUSLNQXGLUUHY-INIZCTEOSA-N 1 0 343.329 2.838 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]34)cccc21 ZINC001218472406 1315201782 /nfs/dbraw/zinc/20/17/82/1315201782.db2.gz LHXYBKUFDCKTEY-CSMYWGQOSA-N 1 0 333.387 2.839 20 10 EFCDRO Cc1cc(O[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218479771 1315202870 /nfs/dbraw/zinc/20/28/70/1315202870.db2.gz SLWCREHASMWANF-SGIREYDYSA-N 1 0 349.386 2.748 20 10 EFCDRO COc1cc(O)c(CN2CC3(C2)CC[N@@H+](C2CCCC2)C3)cc1OC ZINC001276789483 1315214763 /nfs/dbraw/zinc/21/47/63/1315214763.db2.gz IZTYBTZYOZRCNM-UHFFFAOYSA-N 1 0 346.471 2.860 20 10 EFCDRO C[C@H]1[NH2+]CCC[C@@H]1C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001218581469 1315217734 /nfs/dbraw/zinc/21/77/34/1315217734.db2.gz KVRKTJWMLONKSC-DGWOZYJPSA-N 1 0 338.415 2.993 20 10 EFCDRO COc1cccc([C@H](O)C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001250718571 1315250204 /nfs/dbraw/zinc/25/02/04/1315250204.db2.gz VJCICWVZTYCVAU-LJQANCHMSA-N 1 0 329.396 2.588 20 10 EFCDRO CC(C)c1ccc(OC[C@H](O)C[NH2+]CCc2ccc(O)c(O)c2)cc1 ZINC001250772459 1315262650 /nfs/dbraw/zinc/26/26/50/1315262650.db2.gz QQPRLLZTZXYIFN-QGZVFWFLSA-N 1 0 345.439 2.793 20 10 EFCDRO COc1c(C)cc(C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)cc1C ZINC001219120097 1315283015 /nfs/dbraw/zinc/28/30/15/1315283015.db2.gz QPDLKXGSPJROPJ-UHFFFAOYSA-N 1 0 339.439 2.974 20 10 EFCDRO CCc1ccc(C[NH+]2CC3(C2)CCN(C(=O)NC(C)C)C3)c(O)c1 ZINC001276804879 1315313489 /nfs/dbraw/zinc/31/34/89/1315313489.db2.gz MRJNQHPSMQWNSD-UHFFFAOYSA-N 1 0 331.460 2.580 20 10 EFCDRO CCc1ccc(C[NH+]2CC3(CCN3Cc3nccn3CC)C2)c(O)c1 ZINC001276805136 1315314239 /nfs/dbraw/zinc/31/42/39/1315314239.db2.gz RQGSOXLTLNOJGO-UHFFFAOYSA-N 1 0 340.471 2.631 20 10 EFCDRO COc1cc(C)c(C[NH+]2CC3(C2)CCN(Cc2ccc[nH]2)C3)c(O)c1 ZINC001276806625 1315330227 /nfs/dbraw/zinc/33/02/27/1315330227.db2.gz PTYLGMRPOQAKQX-UHFFFAOYSA-N 1 0 341.455 2.745 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cc1F ZINC001318411096 1328579768 /nfs/dbraw/zinc/57/97/68/1328579768.db2.gz RHZTYERUZWQXBK-NVXWUHKLSA-N 1 0 336.455 2.564 20 10 EFCDRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212869 1315385464 /nfs/dbraw/zinc/38/54/64/1315385464.db2.gz ZNJJWCZVQHWXHQ-JQWIXIFHSA-N 1 0 333.819 2.598 20 10 EFCDRO O=C(C=C1CC[NH2+]CC1)NCc1cc(Cl)c2cccnc2c1O ZINC001220212601 1315385633 /nfs/dbraw/zinc/38/56/33/1315385633.db2.gz PMAGHYJLLNMAQK-UHFFFAOYSA-N 1 0 331.803 2.520 20 10 EFCDRO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc2ccccc2cc1O ZINC001276812758 1315403877 /nfs/dbraw/zinc/40/38/77/1315403877.db2.gz JEWFBCBYFZBWDG-HDICACEKSA-N 1 0 339.439 2.922 20 10 EFCDRO CC(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061696 1315434729 /nfs/dbraw/zinc/43/47/29/1315434729.db2.gz SMHOTRGYGGNTMH-HNNXBMFYSA-N 1 0 331.420 2.699 20 10 EFCDRO CC[N@@H+](Cc1ccccc1O)C[C@H](O)COc1ccc(OC)cc1 ZINC001252719566 1315493313 /nfs/dbraw/zinc/49/33/13/1315493313.db2.gz ZEIQCCSJKXKYEI-INIZCTEOSA-N 1 0 331.412 2.663 20 10 EFCDRO COc1ccccc1OC[C@H](O)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001252894999 1315525191 /nfs/dbraw/zinc/52/51/91/1315525191.db2.gz UNMHWYITERULLD-GOSISDBHSA-N 1 0 344.455 2.633 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccccn3)C[C@H]2C)cc1C ZINC001054327597 1315537495 /nfs/dbraw/zinc/53/74/95/1315537495.db2.gz BBUXYKIPBMRELN-CRAIPNDOSA-N 1 0 339.439 2.649 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3cccnc3)C[C@H]2C)cc1C ZINC001054332419 1315538399 /nfs/dbraw/zinc/53/83/99/1315538399.db2.gz CAXBAIJJOJTKRH-QAPCUYQASA-N 1 0 339.439 2.649 20 10 EFCDRO CCCC[C@H](CC)COC[C@H](O)C[NH2+]CCc1ccc(O)c(O)c1 ZINC001253021962 1315554773 /nfs/dbraw/zinc/55/47/73/1315554773.db2.gz HDFMLOIXULSBGK-DOTOQJQBSA-N 1 0 339.476 2.824 20 10 EFCDRO Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC001253830657 1315643526 /nfs/dbraw/zinc/64/35/26/1315643526.db2.gz NMKUEVFWJOTNSS-LJQANCHMSA-N 1 0 328.456 2.933 20 10 EFCDRO COc1cccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001253960057 1315656311 /nfs/dbraw/zinc/65/63/11/1315656311.db2.gz HBMGNDRGIRCLSY-SFHVURJKSA-N 1 0 344.455 2.633 20 10 EFCDRO Oc1cccc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)c1O ZINC001254042525 1315668614 /nfs/dbraw/zinc/66/86/14/1315668614.db2.gz UXEXPWMHSAXDRF-UHFFFAOYSA-N 1 0 328.412 2.537 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CC1=O ZINC001254234211 1315685508 /nfs/dbraw/zinc/68/55/08/1315685508.db2.gz WUBMAWUXPRQUBO-OAHLLOKOSA-N 1 0 346.427 2.637 20 10 EFCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CC2CCN(CC2)C1 ZINC001254846865 1315749365 /nfs/dbraw/zinc/74/93/65/1315749365.db2.gz WTYNSJZQKRANOK-CQSZACIVSA-N 1 0 325.250 2.729 20 10 EFCDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+]Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001254891345 1315756334 /nfs/dbraw/zinc/75/63/34/1315756334.db2.gz PYYLAHQATDDXQY-QDMKHBRRSA-N 1 0 348.443 2.833 20 10 EFCDRO O=C1C[C@H]2CC([NH2+]C3CCN(Cc4ccccc4O)CC3)C[C@@H]2C1 ZINC001254933904 1315760675 /nfs/dbraw/zinc/76/06/75/1315760675.db2.gz HCZNBKBPLVTKBM-HZPDHXFCSA-N 1 0 328.456 2.704 20 10 EFCDRO CCOC(=O)[C@H]1CCC[C@@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001255356173 1315808524 /nfs/dbraw/zinc/80/85/24/1315808524.db2.gz HSIWMJXEZADLSC-FUHWJXTLSA-N 1 0 346.471 2.939 20 10 EFCDRO COCCOc1ccc(N2CC[NH+]([C@@H]3CCOC(C)(C)C3)CC2)cc1 ZINC001255553147 1315840057 /nfs/dbraw/zinc/84/00/57/1315840057.db2.gz JXWUFQIWSKRNDO-GOSISDBHSA-N 1 0 348.487 2.791 20 10 EFCDRO c1c(CC[NH2+]Cc2ccc(N3CCCC3)cc2)nc2n1CCS2 ZINC001255564572 1315840986 /nfs/dbraw/zinc/84/09/86/1315840986.db2.gz MYFXMLLFBXSICI-UHFFFAOYSA-N 1 0 328.485 2.921 20 10 EFCDRO COC[C@H](C)[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001255579915 1315843020 /nfs/dbraw/zinc/84/30/20/1315843020.db2.gz WGNVUFYCIVQXLW-KRWDZBQOSA-N 1 0 341.455 2.818 20 10 EFCDRO Cc1cc(C)c(C[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)c(O)c1 ZINC001255805350 1315869249 /nfs/dbraw/zinc/86/92/49/1315869249.db2.gz WOTGHNNZLWBHGV-OAHLLOKOSA-N 1 0 333.453 2.961 20 10 EFCDRO Oc1ccc([C@@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)cc1O ZINC001256787583 1315991374 /nfs/dbraw/zinc/99/13/74/1315991374.db2.gz SDTRTCHJRNFKAY-AYOQOUSVSA-N 1 0 329.396 2.641 20 10 EFCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC001257041060 1316023918 /nfs/dbraw/zinc/02/39/18/1316023918.db2.gz QXKVROOSVSTQGQ-ZWNOBZJWSA-N 1 0 342.233 2.976 20 10 EFCDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC001257041058 1316024064 /nfs/dbraw/zinc/02/40/64/1316024064.db2.gz QXKVROOSVSTQGQ-GWCFXTLKSA-N 1 0 342.233 2.976 20 10 EFCDRO COc1ccc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c(OC)c1 ZINC001257223890 1316049772 /nfs/dbraw/zinc/04/97/72/1316049772.db2.gz HQTNRVBVIYAUKC-UHFFFAOYSA-N 1 0 347.503 2.699 20 10 EFCDRO COc1cc(C[C@@H](C)[NH2+]Cc2ccc(O)c(O)c2)cc(OC)c1OC ZINC001258858380 1316185569 /nfs/dbraw/zinc/18/55/69/1316185569.db2.gz NBDDTHKTYJWCAV-GFCCVEGCSA-N 1 0 347.411 2.844 20 10 EFCDRO C[C@@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[N@@H+]1CC1CC1 ZINC001072103353 1316358514 /nfs/dbraw/zinc/35/85/14/1316358514.db2.gz XRJAOUSKDXQUHR-MLGOLLRUSA-N 1 0 343.431 2.842 20 10 EFCDRO C[C@H](NC(=O)N1CCCC2(CC[NH2+]CC2)C1)c1ccc(N(C)C)cc1 ZINC001261375947 1316407831 /nfs/dbraw/zinc/40/78/31/1316407831.db2.gz DIIUOTABSCRVBS-INIZCTEOSA-N 1 0 344.503 2.989 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2c(C3CC3)cnn2C)cc1 ZINC001261678065 1316424658 /nfs/dbraw/zinc/42/46/58/1316424658.db2.gz KRWWDXUBEIQGCP-UHFFFAOYSA-N 1 0 328.460 2.874 20 10 EFCDRO Cc1n[nH]c(=O)c(C[NH2+]Cc2c(O)cccc2Br)c1C ZINC001261787652 1316430439 /nfs/dbraw/zinc/43/04/39/1316430439.db2.gz WFTKAPAMMXVYHZ-UHFFFAOYSA-N 1 0 338.205 2.557 20 10 EFCDRO C[C@H]1CN(Cc2cccc(C[NH2+]Cc3ccc(N)cc3)c2)CCO1 ZINC001262487778 1316469187 /nfs/dbraw/zinc/46/91/87/1316469187.db2.gz FQQFGDFFKIZSNM-INIZCTEOSA-N 1 0 325.456 2.779 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[C@H]3CCOC3)[C@H]2C)cc1C ZINC001074576795 1316525775 /nfs/dbraw/zinc/52/57/75/1316525775.db2.gz CTEUAOKIRQOXTK-JQHSSLGASA-N 1 0 346.471 2.509 20 10 EFCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001279293772 1317228141 /nfs/dbraw/zinc/22/81/41/1317228141.db2.gz OSZKPNNTLHQPTQ-FXAWDEMLSA-N 1 0 348.450 2.975 20 10 EFCDRO CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]21 ZINC001042371672 1317230054 /nfs/dbraw/zinc/23/00/54/1317230054.db2.gz UJJKEQDRUGJTRQ-CZUORRHYSA-N 1 0 343.431 2.795 20 10 EFCDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1(C)C ZINC001319850027 1329013243 /nfs/dbraw/zinc/01/32/43/1329013243.db2.gz BDUYODLPLNIVEA-ZOCIIQOWSA-N 1 0 349.494 2.727 20 10 EFCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1(C)C ZINC001319850024 1329013485 /nfs/dbraw/zinc/01/34/85/1329013485.db2.gz BDUYODLPLNIVEA-MDASCCDHSA-N 1 0 349.494 2.727 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C(/C)Cl)cc2F)CC1 ZINC000900612144 1324706455 /nfs/dbraw/zinc/70/64/55/1324706455.db2.gz WEXJNMWGMHLDJM-RAXLEYEMSA-N 1 0 339.842 2.726 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@]3(C)CCCC[C@H]3C(=O)[O-])cc2)CC1 ZINC000901825001 1324757985 /nfs/dbraw/zinc/75/79/85/1324757985.db2.gz UJEGYBDTGFXIJB-AZUAARDMSA-N 1 0 345.487 2.562 20 10 EFCDRO CO[C@]1(C)CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001321202425 1329356228 /nfs/dbraw/zinc/35/62/28/1329356228.db2.gz LRUHGWDGDVCYPP-HXUWFJFHSA-N 1 0 349.494 2.969 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)c1 ZINC001321720905 1329405071 /nfs/dbraw/zinc/40/50/71/1329405071.db2.gz PRSYXLCEAYLBQR-APHBMKBZSA-N 1 0 335.448 2.634 20 10 EFCDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001322338438 1329449168 /nfs/dbraw/zinc/44/91/68/1329449168.db2.gz KHYPVVCSJTZLMQ-AEFFLSMTSA-N 1 0 349.494 2.703 20 10 EFCDRO C[C@H]([NH2+]CCN1c2ccccc2OCC1=O)c1ccc(N(C)C)cc1 ZINC001323399470 1329540920 /nfs/dbraw/zinc/54/09/20/1329540920.db2.gz YNOPEPLQOHJQBD-HNNXBMFYSA-N 1 0 339.439 2.829 20 10 EFCDRO C[C@H](CN1CCCCC1)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323439857 1329543367 /nfs/dbraw/zinc/54/33/67/1329543367.db2.gz BXEVSOPNOIBAKQ-QGZVFWFLSA-N 1 0 348.510 2.542 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCCN(Cc3cc(C)on3)CC2)c1O ZINC001324732445 1329654511 /nfs/dbraw/zinc/65/45/11/1329654511.db2.gz QUISGRZROGSOON-UHFFFAOYSA-N 1 0 345.443 2.795 20 10 EFCDRO C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCO1 ZINC001325301228 1329679020 /nfs/dbraw/zinc/67/90/20/1329679020.db2.gz YNTOEMGDCJBRMY-IAGOWNOFSA-N 1 0 349.494 2.872 20 10 EFCDRO C[NH2+]C[C@@H](C)CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001325323233 1329679811 /nfs/dbraw/zinc/67/98/11/1329679811.db2.gz CDHQQVASDYUSDC-CQSZACIVSA-N 1 0 331.416 2.553 20 10 EFCDRO C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[N@@H+]1CC(C)(C)O ZINC001326060454 1329731735 /nfs/dbraw/zinc/73/17/35/1329731735.db2.gz JFTZNHFGGXGZPY-QGZVFWFLSA-N 1 0 331.504 2.564 20 10 EFCDRO C[C@@H]1CCSCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326279280 1329743932 /nfs/dbraw/zinc/74/39/32/1329743932.db2.gz GKFVBCDXNYEMPE-OAHLLOKOSA-N 1 0 337.508 2.905 20 10 EFCDRO CC[NH+](CC)C1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC001326576346 1330320022 /nfs/dbraw/zinc/32/00/22/1330320022.db2.gz VMTRJVAPGZOUME-UHFFFAOYSA-N 1 0 337.420 2.615 20 10 EFCDRO CO[C@](C)([C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1 ZINC001328659920 1330612977 /nfs/dbraw/zinc/61/29/77/1330612977.db2.gz QEECXJGJEYLMBT-MGPUTAFESA-N 1 0 349.494 2.871 20 10 EFCDRO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC001328757928 1330627487 /nfs/dbraw/zinc/62/74/87/1330627487.db2.gz BPLBCKUFUNDJKY-ZDUSSCGKSA-N 1 0 337.221 2.583 20 10 EFCDRO c1cc(N2CCCC2)ccc1CNCc1nc([C@@H]2CCCO2)n[nH]1 ZINC001329115721 1330669280 /nfs/dbraw/zinc/66/92/80/1330669280.db2.gz XGVPEOYNXBBNJQ-INIZCTEOSA-N 1 0 327.432 2.546 20 10 EFCDRO C[C@H]1C[N@H+](CCCNCc2cc(F)c(N(C)C)cc2F)CCCO1 ZINC001329160269 1330674768 /nfs/dbraw/zinc/67/47/68/1330674768.db2.gz ZGWJFVVWWXGXAH-AWEZNQCLSA-N 1 0 341.446 2.621 20 10 EFCDRO C[C@@H]1C[N@H+](CCCNCc2cc(F)c(N(C)C)cc2F)CCCO1 ZINC001329160270 1330674848 /nfs/dbraw/zinc/67/48/48/1330674848.db2.gz ZGWJFVVWWXGXAH-CQSZACIVSA-N 1 0 341.446 2.621 20 10 EFCDRO C[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC001329297737 1330691865 /nfs/dbraw/zinc/69/18/65/1330691865.db2.gz DWRCTILWMMOLKD-SGTLLEGYSA-N 1 0 347.409 2.951 20 10 EFCDRO O=C([C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1)N1CCCC1 ZINC001329839779 1330742026 /nfs/dbraw/zinc/74/20/26/1330742026.db2.gz OFHUMJKQZNACDF-GOSISDBHSA-N 1 0 327.472 2.731 20 10 EFCDRO CC(C)OCC(C)(C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001331471236 1330841268 /nfs/dbraw/zinc/84/12/68/1330841268.db2.gz YRMVHDLQQJLDDS-UHFFFAOYSA-N 1 0 337.483 2.871 20 10 EFCDRO COC(=O)C1(C[NH2+]Cc2c(O)cccc2Br)CCCC1 ZINC001331693695 1330867058 /nfs/dbraw/zinc/86/70/58/1330867058.db2.gz VGNKAVWINIMJEU-UHFFFAOYSA-N 1 0 342.233 2.978 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CSCc2cccs2)cc1 ZINC001332157628 1330929904 /nfs/dbraw/zinc/92/99/04/1330929904.db2.gz PTZYNIHTYOPUSQ-INIZCTEOSA-N 1 0 349.525 2.864 20 10 EFCDRO [NH3+]CC1(NC(=O)NCc2ccc(N3CCCC3)cc2)CCCCC1 ZINC001332510338 1330978804 /nfs/dbraw/zinc/97/88/04/1330978804.db2.gz JMZPREPPSGYNJD-UHFFFAOYSA-N 1 0 330.476 2.748 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1O ZINC001332691129 1331003336 /nfs/dbraw/zinc/00/33/36/1331003336.db2.gz JKZVGNVKHMSRNN-DLBZAZTESA-N 1 0 345.443 2.531 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[C@@H](F)C3)cc2)CC1 ZINC001333488631 1331153745 /nfs/dbraw/zinc/15/37/45/1331153745.db2.gz JFIZTLNIESTSDE-IAGOWNOFSA-N 1 0 348.466 2.518 20 10 EFCDRO Cc1coc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC001333561835 1331168725 /nfs/dbraw/zinc/16/87/25/1331168725.db2.gz JETMHYSRINDAIU-UHFFFAOYSA-N 1 0 327.428 2.578 20 10 EFCDRO COCn1ncc(C)c1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC001333613044 1331180903 /nfs/dbraw/zinc/18/09/03/1331180903.db2.gz ZHUDJBMNOPSKHP-UHFFFAOYSA-N 1 0 344.459 2.563 20 10 EFCDRO Cc1cc(N(C)C)ccc1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC001333734297 1331204674 /nfs/dbraw/zinc/20/46/74/1331204674.db2.gz NBJNCIAIUAIFEK-UHFFFAOYSA-N 1 0 331.504 2.794 20 10 EFCDRO Cc1ncccc1CC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001333842978 1331224320 /nfs/dbraw/zinc/22/43/20/1331224320.db2.gz UQZJFACRGIKRCX-UHFFFAOYSA-N 1 0 342.462 2.613 20 10 EFCDRO Nc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC001334774028 1331305126 /nfs/dbraw/zinc/30/51/26/1331305126.db2.gz CJPBVUZAGRVGBA-QGZVFWFLSA-N 1 0 328.391 2.804 20 10 EFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC001334814085 1331311191 /nfs/dbraw/zinc/31/11/91/1331311191.db2.gz SNLDQABUCGFOJE-CABCVRRESA-N 1 0 347.455 2.887 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NC2CC3(CC([NH3+])C3)C2)cc1F ZINC001335433919 1331346932 /nfs/dbraw/zinc/34/69/32/1331346932.db2.gz WRPIPVYHJUAJAM-UHFFFAOYSA-N 1 0 348.466 2.741 20 10 EFCDRO CCC(CC)[C@@H](CNC(=O)NCc1ccc(N)cc1)[NH+]1CCCC1 ZINC001335665999 1331388923 /nfs/dbraw/zinc/38/89/23/1331388923.db2.gz NDLOXWMUYHBVSS-GOSISDBHSA-N 1 0 332.492 2.969 20 10 EFCDRO CCc1ccc([C@H](CNC(=O)NCc2ccc(N)cc2)[NH+](C)C)cc1 ZINC001335912638 1331416213 /nfs/dbraw/zinc/41/62/13/1331416213.db2.gz WPMGFLAXNFLWCZ-IBGZPJMESA-N 1 0 340.471 2.933 20 10 EFCDRO CCOc1ccc(N2CC[NH+](CCC(=O)N3CCC[C@H]3C)CC2)cc1 ZINC001336435552 1331472777 /nfs/dbraw/zinc/47/27/77/1331472777.db2.gz OPSDSMDUJDNBRF-QGZVFWFLSA-N 1 0 345.487 2.608 20 10 EFCDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(N)cc1 ZINC001337019806 1331528366 /nfs/dbraw/zinc/52/83/66/1331528366.db2.gz VQQYBSPDLZDRMP-UHFFFAOYSA-N 1 0 344.434 2.681 20 10 EFCDRO COCCC(=O)N1CCC([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001337798283 1331599657 /nfs/dbraw/zinc/59/96/57/1331599657.db2.gz FVOGLNVLSLEMOS-GOEBONIOSA-N 1 0 346.471 2.866 20 10 EFCDRO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(N)cc1 ZINC001337838605 1331603404 /nfs/dbraw/zinc/60/34/04/1331603404.db2.gz QIRCPVOQRSRABD-UHFFFAOYSA-N 1 0 340.427 2.688 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC001338468797 1331709379 /nfs/dbraw/zinc/70/93/79/1331709379.db2.gz WYTSOHCDGKGQOC-NVXWUHKLSA-N 1 0 332.492 2.578 20 10 EFCDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC001338673285 1331724285 /nfs/dbraw/zinc/72/42/85/1331724285.db2.gz QCMREKPQLBNVIJ-RHSMWYFYSA-N 1 0 331.460 2.844 20 10 EFCDRO CN(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001338886813 1331753053 /nfs/dbraw/zinc/75/30/53/1331753053.db2.gz IFPWJNFUOUPAIA-PKOBYXMFSA-N 1 0 335.467 2.625 20 10 EFCDRO CC[NH+](CC)C1CCN(c2nnc(C3SC=CC3=O)n2C)CC1 ZINC001339459459 1331872562 /nfs/dbraw/zinc/87/25/62/1331872562.db2.gz XQIAZNRUCXEBPL-UHFFFAOYSA-N 1 0 335.477 2.560 20 10 EFCDRO O=C(NCc1c(O)ccc2c1CCCC2)c1cc2c(s1)C[NH2+]CC2 ZINC001340987568 1332225108 /nfs/dbraw/zinc/22/51/08/1332225108.db2.gz VXAWLKHLKLNBFY-UHFFFAOYSA-N 1 0 342.464 2.908 20 10 EFCDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001346739082 1332680066 /nfs/dbraw/zinc/68/00/66/1332680066.db2.gz MTZIUAGOWHZGQT-IBGZPJMESA-N 1 0 338.455 2.685 20 10 EFCDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3ccc(N)cc3)C2)CC1 ZINC001346738345 1332680090 /nfs/dbraw/zinc/68/00/90/1332680090.db2.gz GLQOFSSSLOYZEY-GOSISDBHSA-N 1 0 344.503 2.922 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+]CCCc3ccco3)cc2F)CC1 ZINC001346854276 1332697248 /nfs/dbraw/zinc/69/72/48/1332697248.db2.gz BNVBKQKPCRNIMD-UHFFFAOYSA-N 1 0 331.435 2.893 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@@H+]3C2)c1 ZINC001348141828 1332803567 /nfs/dbraw/zinc/80/35/67/1332803567.db2.gz ZLONYJCZDLXGCU-XQLPTFJDSA-N 1 0 332.444 2.698 20 10 EFCDRO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N3CCOc4cc(N(C)C)ccc43)C[N@@H+]2C1 ZINC001349147746 1332911666 /nfs/dbraw/zinc/91/16/66/1332911666.db2.gz QENQQLGRMDIGAL-BFYDXBDKSA-N 1 0 343.471 2.598 20 10 EFCDRO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1[O-] ZINC001349325479 1332938300 /nfs/dbraw/zinc/93/83/00/1332938300.db2.gz OLAYPYHFRJQDCK-UHFFFAOYSA-N 1 0 339.823 2.919 20 10 EFCDRO O=c1cc(C[NH2+]Cc2ccc(N3CCCC3)cc2)nc2ccccn12 ZINC001349572374 1332971231 /nfs/dbraw/zinc/97/12/31/1332971231.db2.gz HVXWFBOVQYTYBX-UHFFFAOYSA-N 1 0 334.423 2.585 20 10 EFCDRO O=C(CC[C@@H]1CCC[NH2+]C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001351156982 1333187616 /nfs/dbraw/zinc/18/76/16/1333187616.db2.gz WUPSGYIKLAAVLB-FUHWJXTLSA-N 1 0 346.471 2.680 20 10 EFCDRO O=C(CC[C@H]1CCC[NH2+]C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001351156981 1333187626 /nfs/dbraw/zinc/18/76/26/1333187626.db2.gz WUPSGYIKLAAVLB-AEFFLSMTSA-N 1 0 346.471 2.680 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c(O)c1OC ZINC001352015609 1333353327 /nfs/dbraw/zinc/35/33/27/1333353327.db2.gz HCFIWXXNUUOKCS-AWEZNQCLSA-N 1 0 345.443 2.598 20 10 EFCDRO C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)n1cccc1 ZINC001352167230 1333411937 /nfs/dbraw/zinc/41/19/37/1333411937.db2.gz IZWZUQAXJKTUBA-CRAIPNDOSA-N 1 0 328.460 2.534 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000847443678 1333725810 /nfs/dbraw/zinc/72/58/10/1333725810.db2.gz URPCLJZGRQWJNF-OALUTQOASA-N 1 0 344.503 2.911 20 10 EFCDRO O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847446622 1333731230 /nfs/dbraw/zinc/73/12/30/1333731230.db2.gz IHMNMDDEBPSOEU-CABCVRRESA-N 1 0 337.851 2.862 20 10 EFCDRO COCCCCC(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001100174110 1333801445 /nfs/dbraw/zinc/80/14/45/1333801445.db2.gz DWQVRIGBUSCZFR-UHFFFAOYSA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)c1 ZINC000847590876 1333962222 /nfs/dbraw/zinc/96/22/22/1333962222.db2.gz JGWFDXXELMJQRS-CQSZACIVSA-N 1 0 342.439 2.996 20 10 EFCDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)cc(C(C)(C)C)c3O)C[C@@H]2C1 ZINC001353199782 1334005462 /nfs/dbraw/zinc/00/54/62/1334005462.db2.gz STXUXTQJIWMXLS-CALCHBBNSA-N 1 0 330.472 2.908 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)C3(CF)CC3)C2)cc1C ZINC001100667059 1334529114 /nfs/dbraw/zinc/52/91/14/1334529114.db2.gz XSAXNFUYRLRUJQ-UHFFFAOYSA-N 1 0 334.435 2.738 20 10 EFCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000848407517 1334711002 /nfs/dbraw/zinc/71/10/02/1334711002.db2.gz QORMQILSERFXRJ-QUCCMNQESA-N 1 0 329.488 2.881 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)[C@H]3C[C@]34CCC[NH2+]C4)cc2)CC1 ZINC000848413244 1334712678 /nfs/dbraw/zinc/71/26/78/1334712678.db2.gz AWDQTEJVLWAAPQ-CTNGQTDRSA-N 1 0 341.499 2.929 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000848427827 1334717704 /nfs/dbraw/zinc/71/77/04/1334717704.db2.gz QSEOYVYZRQPLRP-AZUAARDMSA-N 1 0 329.488 2.879 20 10 EFCDRO COc1cc(C)cc(C[NH+]2CCC(Oc3ncc(C)cn3)CC2)c1O ZINC000848493839 1334749824 /nfs/dbraw/zinc/74/98/24/1334749824.db2.gz LPNMDGGOXRGUIB-UHFFFAOYSA-N 1 0 343.427 2.851 20 10 EFCDRO Cc1ncncc1[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000848520171 1334770486 /nfs/dbraw/zinc/77/04/86/1334770486.db2.gz GZGGYEJFYZYDNO-ZDUSSCGKSA-N 1 0 330.407 2.612 20 10 EFCDRO Cc1ncncc1[C@@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000848526804 1334774967 /nfs/dbraw/zinc/77/49/67/1334774967.db2.gz IEHCAZOVAOINJL-OAHLLOKOSA-N 1 0 340.471 2.845 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cncnc3C)C2)cc1 ZINC000848553485 1334791429 /nfs/dbraw/zinc/79/14/29/1334791429.db2.gz OCFAUXLBLHEMFE-GDBMZVCRSA-N 1 0 326.444 2.971 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000848552949 1334791450 /nfs/dbraw/zinc/79/14/50/1334791450.db2.gz GRABUTANGHNDJL-UTKZUKDTSA-N 1 0 345.531 2.835 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cc2c(cc1O)CCCC2 ZINC000848564837 1334797363 /nfs/dbraw/zinc/79/73/63/1334797363.db2.gz PZWCYULYVXXYJL-IUODEOHRSA-N 1 0 326.444 2.608 20 10 EFCDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1cc(-c3ccccc3)ccc1O)C2 ZINC000848566463 1334797633 /nfs/dbraw/zinc/79/76/33/1334797633.db2.gz YLQGKECYQGMKOD-QGZVFWFLSA-N 1 0 334.423 2.835 20 10 EFCDRO CCc1cccc(C[NH+]2CCN(c3cc(OC)ccn3)CC2)c1O ZINC000848884799 1334960382 /nfs/dbraw/zinc/96/03/82/1334960382.db2.gz FWTCWENMQXMDKN-UHFFFAOYSA-N 1 0 327.428 2.680 20 10 EFCDRO CCc1cccc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c1O ZINC000848887408 1334963144 /nfs/dbraw/zinc/96/31/44/1334963144.db2.gz VTWLBAHWAXSTQJ-GOSISDBHSA-N 1 0 329.444 2.634 20 10 EFCDRO CCc1cccc(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)c1O ZINC000848886873 1334963155 /nfs/dbraw/zinc/96/31/55/1334963155.db2.gz JUYPXAWCWIFPNC-UHFFFAOYSA-N 1 0 334.357 2.973 20 10 EFCDRO CCc1cccc(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)c1O ZINC000848914524 1334983125 /nfs/dbraw/zinc/98/31/25/1334983125.db2.gz PDMLYXPUSOUEFC-LJQANCHMSA-N 1 0 338.451 2.888 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)c(O)c1 ZINC000848918767 1334985094 /nfs/dbraw/zinc/98/50/94/1334985094.db2.gz LKWTWUFKQVXINH-KRWDZBQOSA-N 1 0 332.444 2.528 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CCC(Oc2ncc(C)cn2)CC1 ZINC000848925327 1334990994 /nfs/dbraw/zinc/99/09/94/1334990994.db2.gz SRVUPJNWTCVOCQ-UHFFFAOYSA-N 1 0 329.400 2.543 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1F ZINC000848929130 1334993922 /nfs/dbraw/zinc/99/39/22/1334993922.db2.gz AXGRKEOHPODVQW-KRWDZBQOSA-N 1 0 335.467 2.578 20 10 EFCDRO [NH3+]C1(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCCC1 ZINC000849349754 1335596533 /nfs/dbraw/zinc/59/65/33/1335596533.db2.gz IFADHGBQDXSAHC-UHFFFAOYSA-N 1 0 332.448 2.946 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[N@H+](CCCCCF)C2)cc1 ZINC001690112811 1417156763 /nfs/dbraw/zinc/15/67/63/1417156763.db2.gz MNMFNRROTPYOTE-OAHLLOKOSA-N 1 0 349.410 2.793 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)COC(C)(C)C)cc1C ZINC001716776256 1419003726 /nfs/dbraw/zinc/00/37/26/1419003726.db2.gz XGCOUXBNDODRPH-QGZVFWFLSA-N 1 0 348.487 2.899 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](CN3CCOCC3)C1)CCCC2 ZINC000160184883 712914353 /nfs/dbraw/zinc/91/43/53/712914353.db2.gz SVNXWCPECDEDNJ-KRWDZBQOSA-N 1 0 344.499 2.815 20 10 EFCDRO CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000969158893 712944286 /nfs/dbraw/zinc/94/42/86/712944286.db2.gz UVMRTKNWGODKAE-OAHLLOKOSA-N 1 0 331.420 2.843 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)cc1C ZINC001020496316 713078270 /nfs/dbraw/zinc/07/82/70/713078270.db2.gz NSKULTUFDVGQEQ-MEUBEVTNSA-N 1 0 328.456 2.787 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[C@H](F)C3)C2)cc1C ZINC001020518088 713100436 /nfs/dbraw/zinc/10/04/36/713100436.db2.gz ZDIWKILQUSKLHR-QAETUUGQSA-N 1 0 334.435 2.879 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(Cl)[nH]3)C2)cc1C ZINC000969858105 713287154 /nfs/dbraw/zinc/28/71/54/713287154.db2.gz HAIBSQMTNNARLH-CQSZACIVSA-N 1 0 347.846 2.989 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc(C)[nH]c3C)C2)cc1C ZINC000970112570 713410026 /nfs/dbraw/zinc/41/00/26/713410026.db2.gz SMYKXGSUZCVXFQ-QGZVFWFLSA-N 1 0 341.455 2.953 20 10 EFCDRO CC[C@H]1CC[C@@H]1[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000806127436 713448863 /nfs/dbraw/zinc/44/88/63/713448863.db2.gz FALSQAXXLXIOAX-PXNSSMCTSA-N 1 0 331.504 2.986 20 10 EFCDRO CCn1cccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001021057316 713544962 /nfs/dbraw/zinc/54/49/62/713544962.db2.gz QBDLDOJOCJNBRH-QAQDUYKDSA-N 1 0 341.455 2.876 20 10 EFCDRO Cc1ncc(/C=C\C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)s1 ZINC000255074305 713607148 /nfs/dbraw/zinc/60/71/48/713607148.db2.gz XKRYOHXVZMPILO-WHLNPGIBSA-N 1 0 327.453 2.984 20 10 EFCDRO CC(C)n1cnc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891246298 714133139 /nfs/dbraw/zinc/13/31/39/714133139.db2.gz BXKKCTSLHSFUPZ-SFHVURJKSA-N 1 0 343.475 2.563 20 10 EFCDRO C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)(F)F ZINC000891246294 714133295 /nfs/dbraw/zinc/13/32/95/714133295.db2.gz BXJYHBKTOFAERV-IUODEOHRSA-N 1 0 327.419 2.763 20 10 EFCDRO CCc1cccnc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246381 714133506 /nfs/dbraw/zinc/13/35/06/714133506.db2.gz BWSQYSCYBSLMNF-GOSISDBHSA-N 1 0 340.471 2.743 20 10 EFCDRO CC(=O)c1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000891246368 714133511 /nfs/dbraw/zinc/13/35/11/714133511.db2.gz BOOIFHGQMYWJRJ-MRXNPFEDSA-N 1 0 343.427 2.581 20 10 EFCDRO CC(=O)CC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCC1 ZINC000891247179 714134793 /nfs/dbraw/zinc/13/47/93/714134793.db2.gz GPYHKFYEPLGLEA-SFHVURJKSA-N 1 0 345.487 2.621 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)C2(C)CCC(=O)CC2)[NH+](C)C)cc1 ZINC000891247353 714135249 /nfs/dbraw/zinc/13/52/49/714135249.db2.gz JCDFWOVWKSDPGD-GOSISDBHSA-N 1 0 345.487 2.621 20 10 EFCDRO CCc1[nH]ccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247395 714135397 /nfs/dbraw/zinc/13/53/97/714135397.db2.gz JUPKNHVLMIIDKS-GOSISDBHSA-N 1 0 328.460 2.676 20 10 EFCDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247839 714136360 /nfs/dbraw/zinc/13/63/60/714136360.db2.gz VOZRYDQCURQLKJ-KDQHYCTGSA-N 1 0 347.503 2.531 20 10 EFCDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247840 714136492 /nfs/dbraw/zinc/13/64/92/714136492.db2.gz VOZRYDQCURQLKJ-WCVDCBDPSA-N 1 0 347.503 2.531 20 10 EFCDRO C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccccn1 ZINC000891249804 714139433 /nfs/dbraw/zinc/13/94/33/714139433.db2.gz SXBKZTSTNVIXBL-KXBFYZLASA-N 1 0 340.471 2.670 20 10 EFCDRO CC[C@H](C)[C@@H](OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248802 714139698 /nfs/dbraw/zinc/13/96/98/714139698.db2.gz OETSXAMWXHYNEO-BMGDILEWSA-N 1 0 335.492 2.533 20 10 EFCDRO CCC(C)(C)OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248870 714139719 /nfs/dbraw/zinc/13/97/19/714139719.db2.gz NVRZLUCWQFGEOV-KRWDZBQOSA-N 1 0 335.492 2.677 20 10 EFCDRO Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cnc1F ZINC000891248899 714139850 /nfs/dbraw/zinc/13/98/50/714139850.db2.gz OJTROXUOTVHXMY-KRWDZBQOSA-N 1 0 344.434 2.628 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)COC2CCCCC2)[NH+](C)C)cc1 ZINC000891251276 714143854 /nfs/dbraw/zinc/14/38/54/714143854.db2.gz BKGUAHCGYMGJEA-LJQANCHMSA-N 1 0 347.503 2.821 20 10 EFCDRO CC(C)c1ocnc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252666 714145337 /nfs/dbraw/zinc/14/53/37/714145337.db2.gz LZYGWOLNPGGZEY-INIZCTEOSA-N 1 0 344.459 2.897 20 10 EFCDRO CC(C)c1ocnc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252667 714145439 /nfs/dbraw/zinc/14/54/39/714145439.db2.gz LZYGWOLNPGGZEY-MRXNPFEDSA-N 1 0 344.459 2.897 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccncc2Cl)[NH+](C)C)cc1 ZINC000891254580 714148321 /nfs/dbraw/zinc/14/83/21/714148321.db2.gz ZMLRJDVBNNEKTG-QGZVFWFLSA-N 1 0 346.862 2.834 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)CSC(F)(F)F)[NH+](C)C)cc1 ZINC000891255456 714151768 /nfs/dbraw/zinc/15/17/68/714151768.db2.gz PQQJXQXQVCYEBL-CYBMUJFWSA-N 1 0 349.422 2.725 20 10 EFCDRO CC(C)CO[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255417 714151816 /nfs/dbraw/zinc/15/18/16/714151816.db2.gz OWBGUUFLUMXSDD-MAUKXSAKSA-N 1 0 335.492 2.533 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)c3ccon3)C2)cc1C ZINC000980941058 717981937 /nfs/dbraw/zinc/98/19/37/717981937.db2.gz QOVMOYLYVRJVNI-HOTGVXAUSA-N 1 0 343.427 2.822 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccncc3F)C2)cc1C ZINC001021924872 714600329 /nfs/dbraw/zinc/60/03/29/714600329.db2.gz WGCZLOUPLWFMFQ-GASCZTMLSA-N 1 0 343.402 2.588 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCO[C@@H]3C)C2)cc1C ZINC001022018447 714653283 /nfs/dbraw/zinc/65/32/83/714653283.db2.gz WBFGCMWRNOMUMH-NRSFXHEJSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3[nH]ccc3C)C2)cc1C ZINC001022035010 714672205 /nfs/dbraw/zinc/67/22/05/714672205.db2.gz XQTTVXDLNMYQGF-IYBDPMFKSA-N 1 0 327.428 2.691 20 10 EFCDRO Cn1ncc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1C1CC1 ZINC000891530465 714802433 /nfs/dbraw/zinc/80/24/33/714802433.db2.gz YWTZWLMSMQWDFW-UHFFFAOYSA-N 1 0 340.471 2.766 20 10 EFCDRO [NH3+]CC1(NC(=O)NCCCSc2nccs2)CCCCC1 ZINC000891675021 714923032 /nfs/dbraw/zinc/92/30/32/714923032.db2.gz WEJPBCQRHMUVEV-UHFFFAOYSA-N 1 0 328.507 2.586 20 10 EFCDRO COc1ccc(C[NH2+]CCN2CCc3ccccc3C2)c(O)c1OC ZINC000892506221 718021810 /nfs/dbraw/zinc/02/18/10/718021810.db2.gz YGKYBFFFHKJHOO-UHFFFAOYSA-N 1 0 342.439 2.557 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@]3(C)CCO[C@@H]3C)C2)cc1C ZINC001022481755 715177341 /nfs/dbraw/zinc/17/73/41/715177341.db2.gz CVHDPXXLNQJFTN-DFYYWFRZSA-N 1 0 346.471 2.556 20 10 EFCDRO COC(=O)C[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)C(C)(C)C ZINC000934033195 715181788 /nfs/dbraw/zinc/18/17/88/715181788.db2.gz WXRFJZGZNNMPFD-AWEZNQCLSA-N 1 0 325.380 2.801 20 10 EFCDRO COC(=O)CCC1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892021971 715222483 /nfs/dbraw/zinc/22/24/83/715222483.db2.gz POTONTOYQWLZTR-UHFFFAOYSA-N 1 0 337.416 2.575 20 10 EFCDRO COc1ccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)c(O)c1OC ZINC000892043738 715231921 /nfs/dbraw/zinc/23/19/21/715231921.db2.gz ZHVMXRPEUPTZDY-KRWDZBQOSA-N 1 0 343.423 2.891 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[C@H](F)C3)C2)cc1C ZINC001022609885 715251388 /nfs/dbraw/zinc/25/13/88/715251388.db2.gz ZDIWKILQUSKLHR-LUKYLMHMSA-N 1 0 334.435 2.879 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@H]3CC[C@@H](C)O3)C2)cc1C ZINC001022651718 715275342 /nfs/dbraw/zinc/27/53/42/715275342.db2.gz MXPSTMOVIRNJSB-NRSFXHEJSA-N 1 0 346.471 2.698 20 10 EFCDRO CCC[N@H+](Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000161115287 715279604 /nfs/dbraw/zinc/27/96/04/715279604.db2.gz SURYLPRKADMDOB-GOSISDBHSA-N 1 0 338.517 2.932 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](c2ccsc2)N(C)C)c(O)c1OC ZINC000892507811 718039610 /nfs/dbraw/zinc/03/96/10/718039610.db2.gz CIWANIILDNXNKF-AWEZNQCLSA-N 1 0 336.457 2.863 20 10 EFCDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000124368482 715298759 /nfs/dbraw/zinc/29/87/59/715298759.db2.gz IPVQDBPQWIQMDF-SFHVURJKSA-N 1 0 347.528 2.730 20 10 EFCDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000124368283 715298890 /nfs/dbraw/zinc/29/88/90/715298890.db2.gz IPVQDBPQWIQMDF-GOSISDBHSA-N 1 0 347.528 2.730 20 10 EFCDRO COc1ccc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c(O)c1OC ZINC000892194952 715319525 /nfs/dbraw/zinc/31/95/25/715319525.db2.gz KBCUHHXBYXDYMA-CQSZACIVSA-N 1 0 331.416 2.652 20 10 EFCDRO COc1ccc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c(O)c1OC ZINC000892194948 715319808 /nfs/dbraw/zinc/31/98/08/715319808.db2.gz KBCUHHXBYXDYMA-AWEZNQCLSA-N 1 0 331.416 2.652 20 10 EFCDRO COc1ccc(CN2CC[N@H+](C)CC23CCCCC3)c(O)c1OC ZINC000892200351 715330197 /nfs/dbraw/zinc/33/01/97/715330197.db2.gz FUKVKGMFLFUKFW-UHFFFAOYSA-N 1 0 334.460 2.860 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C3(CF)CC3)C2)cc1C ZINC001027055426 715386226 /nfs/dbraw/zinc/38/62/26/715386226.db2.gz COZBJLKOSGFPFN-INIZCTEOSA-N 1 0 334.435 2.691 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C3(CF)CC3)C2)cc1C ZINC001027055427 715386863 /nfs/dbraw/zinc/38/68/63/715386863.db2.gz COZBJLKOSGFPFN-MRXNPFEDSA-N 1 0 334.435 2.691 20 10 EFCDRO CC[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001027077798 715510363 /nfs/dbraw/zinc/51/03/63/715510363.db2.gz RQSQIXOUEGMLRV-RCCFBDPRSA-N 1 0 330.472 2.988 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCO[C@@H](C)C3)C2)cc1C ZINC001022897618 715908583 /nfs/dbraw/zinc/90/85/83/715908583.db2.gz LXDDUBCPNIYAOH-LEUOFYLZSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3c[nH]cc3C)C2)cc1C ZINC001027213189 715915192 /nfs/dbraw/zinc/91/51/92/715915192.db2.gz PCYPBESQKPQUBZ-KRWDZBQOSA-N 1 0 341.455 2.892 20 10 EFCDRO CCN1CCC([N@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000125224690 715994571 /nfs/dbraw/zinc/99/45/71/715994571.db2.gz QIKVCFKYRKIFMP-UHFFFAOYSA-N 1 0 327.812 2.870 20 10 EFCDRO COc1ccc(CNc2cccc(OCC[NH+](C)C)c2)c(O)c1OC ZINC000892331464 716083468 /nfs/dbraw/zinc/08/34/68/716083468.db2.gz WSZNDUULYYRIPE-UHFFFAOYSA-N 1 0 346.427 2.962 20 10 EFCDRO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)NCCC(C)C)CC2)cc1 ZINC000052466723 716197382 /nfs/dbraw/zinc/19/73/82/716197382.db2.gz ZKPQHCMYWOEDSG-QGZVFWFLSA-N 1 0 347.503 2.758 20 10 EFCDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)NCCC(C)C)CC2)cc1 ZINC000052466725 716197591 /nfs/dbraw/zinc/19/75/91/716197591.db2.gz ZKPQHCMYWOEDSG-KRWDZBQOSA-N 1 0 347.503 2.758 20 10 EFCDRO CC(C)[N@@H+]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C(C)(C)C1 ZINC000977665744 716462379 /nfs/dbraw/zinc/46/23/79/716462379.db2.gz YOQNYUNNDQPLHQ-CQSZACIVSA-N 1 0 331.420 2.698 20 10 EFCDRO CC(C)[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001027698277 716558345 /nfs/dbraw/zinc/55/83/45/716558345.db2.gz HEYDHBWNDLLOCC-OAHLLOKOSA-N 1 0 331.420 2.794 20 10 EFCDRO CCCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000979142745 716747989 /nfs/dbraw/zinc/74/79/89/716747989.db2.gz LKQXKPMELBFEAQ-MAUKXSAKSA-N 1 0 334.460 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)CC(C)C)CCO2)cc1C ZINC000979195655 716791408 /nfs/dbraw/zinc/79/14/08/716791408.db2.gz DPAQMLSQBSZEGO-APWZRJJASA-N 1 0 348.487 2.755 20 10 EFCDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001023769703 716989677 /nfs/dbraw/zinc/98/96/77/716989677.db2.gz CIJYTIKFIYDUJJ-ZDUSSCGKSA-N 1 0 331.420 2.699 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CN(C(=O)C(C)(C)C)CCO2)cc1C ZINC000979427518 717015965 /nfs/dbraw/zinc/01/59/65/717015965.db2.gz JAENBKGZCZHGMM-CRAIPNDOSA-N 1 0 348.487 2.755 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C\C3CCCC3)cc2)CC1 ZINC000893607361 717359741 /nfs/dbraw/zinc/35/97/41/717359741.db2.gz GUWUFGMPXLMRTK-FLIBITNWSA-N 1 0 327.472 2.801 20 10 EFCDRO CC(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980511864 717377088 /nfs/dbraw/zinc/37/70/88/717377088.db2.gz SNFYMCOHKOHNGG-OAHLLOKOSA-N 1 0 331.420 2.651 20 10 EFCDRO C[C@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccccc1O ZINC000310080035 717424064 /nfs/dbraw/zinc/42/40/64/717424064.db2.gz UQCLXQKAZBUCEB-UONOGXRCSA-N 1 0 336.432 2.679 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)c3cc[nH]c3)C2)cc1C ZINC000980589089 717460263 /nfs/dbraw/zinc/46/02/63/717460263.db2.gz UOJLVEXSQBCXPG-DOTOQJQBSA-N 1 0 341.455 2.972 20 10 EFCDRO Oc1cc2c(cc1CN1CC[NH+](CC3CCOCC3)CC1)CCCC2 ZINC000179443445 717465706 /nfs/dbraw/zinc/46/57/06/717465706.db2.gz JYPYBOHQTPFXEY-UHFFFAOYSA-N 1 0 344.499 2.815 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)cc2=O ZINC000162966830 717676576 /nfs/dbraw/zinc/67/65/76/717676576.db2.gz DVJWLMKIMHOLJT-SLEUVZQESA-N 1 0 346.431 2.526 20 10 EFCDRO CC(=O)N(C)C1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000128758034 717702834 /nfs/dbraw/zinc/70/28/34/717702834.db2.gz WHJMDUQBMWQWNV-UHFFFAOYSA-N 1 0 334.460 2.838 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)C(F)F)C2)cc1C ZINC000980841521 717822668 /nfs/dbraw/zinc/82/26/68/717822668.db2.gz LVAWVBSPOBFRMS-UONOGXRCSA-N 1 0 326.387 2.786 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1F ZINC000066973946 717868318 /nfs/dbraw/zinc/86/83/18/717868318.db2.gz IVYBPZKFNASUQR-LJQANCHMSA-N 1 0 348.393 2.625 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1F ZINC000066973947 717868754 /nfs/dbraw/zinc/86/87/54/717868754.db2.gz IVYBPZKFNASUQR-IBGZPJMESA-N 1 0 348.393 2.625 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)CSC)C2)cc1C ZINC000980344676 718087346 /nfs/dbraw/zinc/08/73/46/718087346.db2.gz MVABKXBVCQYELR-GOEBONIOSA-N 1 0 336.501 2.693 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)c3ccc[nH]3)C2)cc1C ZINC000980368554 718114837 /nfs/dbraw/zinc/11/48/37/718114837.db2.gz OACQXAOOVOORJH-NVXWUHKLSA-N 1 0 341.455 2.972 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CCOC2)cc1C ZINC001024896442 718210710 /nfs/dbraw/zinc/21/07/10/718210710.db2.gz IQPLKJVGZNQIIN-ZWKOTPCHSA-N 1 0 346.471 2.511 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892607411 718337328 /nfs/dbraw/zinc/33/73/28/718337328.db2.gz WAKUDLNWOFDUHX-BCDXTJNWSA-N 1 0 344.503 2.815 20 10 EFCDRO Cn1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(C2CC2)n1 ZINC000892621527 718349746 /nfs/dbraw/zinc/34/97/46/718349746.db2.gz KMDZWFCBSPUJEP-UHFFFAOYSA-N 1 0 344.434 2.563 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)CN2C[C@H](C)C[C@H](C)C2)c(O)c1OC ZINC000892674951 718472387 /nfs/dbraw/zinc/47/23/87/718472387.db2.gz LVFSLRXBVNGFQH-QLFBSQMISA-N 1 0 336.476 2.865 20 10 EFCDRO COC(=O)N1CC([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000181468597 718733223 /nfs/dbraw/zinc/73/32/23/718733223.db2.gz DFULTWHNBOQIDV-CYBMUJFWSA-N 1 0 335.423 2.917 20 10 EFCDRO CC[C@@H]([NH2+]C[C@](C)(O)COC)c1cc(Br)ccc1O ZINC000382565540 718961772 /nfs/dbraw/zinc/96/17/72/718961772.db2.gz NXBUINDRRPKTLE-OCCSQVGLSA-N 1 0 332.238 2.593 20 10 EFCDRO COc1ccc(CC[NH2+]Cc2ccc(OC)c(OC)c2O)c(OC)c1 ZINC000892737497 719091809 /nfs/dbraw/zinc/09/18/09/719091809.db2.gz DEOPKFOZKVYXPC-UHFFFAOYSA-N 1 0 347.411 2.759 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c(O)c1OC ZINC000892782220 719166469 /nfs/dbraw/zinc/16/64/69/719166469.db2.gz KYVVCLRQHMCQJZ-UHFFFAOYSA-N 1 0 348.365 2.526 20 10 EFCDRO CC(C)([NH3+])CCNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000892861110 719241614 /nfs/dbraw/zinc/24/16/14/719241614.db2.gz PFZHWMWEPCGWCX-UHFFFAOYSA-N 1 0 331.416 2.824 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]cc3C)C2)cc1C ZINC001019771566 719382009 /nfs/dbraw/zinc/38/20/09/719382009.db2.gz SBULMYZSCSIABE-INIZCTEOSA-N 1 0 327.428 2.644 20 10 EFCDRO CC1CC(C[NH2+][C@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001019854283 719394626 /nfs/dbraw/zinc/39/46/26/719394626.db2.gz VAUMFJWMGUXBRZ-ZUEPYMLJSA-N 1 0 343.431 2.699 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)CSC)C[C@H]32)cc1C ZINC001026189708 719882825 /nfs/dbraw/zinc/88/28/25/719882825.db2.gz WVSMTNRDAVHWOJ-GVDBMIGSSA-N 1 0 348.512 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc[nH]c3)[C@H]2C)cc1C ZINC000986294401 724631146 /nfs/dbraw/zinc/63/11/46/724631146.db2.gz LXEKLQFSAUKGCA-WMLDXEAASA-N 1 0 327.428 2.725 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c(O)c1OC ZINC000893202103 720034787 /nfs/dbraw/zinc/03/47/87/720034787.db2.gz ZFAKXPYXNCIKEP-HNNXBMFYSA-N 1 0 336.476 2.867 20 10 EFCDRO C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccc[nH]1 ZINC000893898119 720144496 /nfs/dbraw/zinc/14/44/96/720144496.db2.gz PSZMMLOMNFYXRB-KDOFPFPSSA-N 1 0 343.475 2.744 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c(O)c1OC ZINC000893249196 720248348 /nfs/dbraw/zinc/24/83/48/720248348.db2.gz SDOIPNJTOSHOAR-YYUOZPCZSA-N 1 0 349.452 2.998 20 10 EFCDRO CN(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)CC1CC1 ZINC000053183696 720250145 /nfs/dbraw/zinc/25/01/45/720250145.db2.gz OJBXPOJATKMHGA-UHFFFAOYSA-N 1 0 348.402 2.742 20 10 EFCDRO CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340649 720399952 /nfs/dbraw/zinc/39/99/52/720399952.db2.gz UGMGPLVGRXIUCS-HNNXBMFYSA-N 1 0 331.420 2.699 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c(O)c1OC ZINC000893276171 720406781 /nfs/dbraw/zinc/40/67/81/720406781.db2.gz RGPMAHRHKDISOR-FFSVYQOJSA-N 1 0 341.498 2.879 20 10 EFCDRO C[C@H](C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)CN1CCOCC1 ZINC000185505215 720416807 /nfs/dbraw/zinc/41/68/07/720416807.db2.gz FDZQPJXBUAFATG-CVEARBPZSA-N 1 0 332.488 2.890 20 10 EFCDRO CC(C)(C)c1cc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c(O)c(C(C)(C)C)c1 ZINC000187669920 720517007 /nfs/dbraw/zinc/51/70/07/720517007.db2.gz DAJITYGCQRKOFU-HOTGVXAUSA-N 1 0 335.488 2.915 20 10 EFCDRO C[C@@H](F)CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028345324 720531339 /nfs/dbraw/zinc/53/13/39/720531339.db2.gz ZVTHYDQZVDSDFP-DOMZBBRYSA-N 1 0 349.410 2.791 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c(O)c1OC ZINC000893318186 720591234 /nfs/dbraw/zinc/59/12/34/720591234.db2.gz RYMVMYXRXWRGFL-IBGZPJMESA-N 1 0 347.386 2.642 20 10 EFCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)[C@@H]3CCOC3)CC2)cc1C ZINC001026463813 720635977 /nfs/dbraw/zinc/63/59/77/720635977.db2.gz KKTLBESKRWBEQL-WWDZGPRUSA-N 1 0 346.471 2.557 20 10 EFCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)c3cnco3)CC2)cc1C ZINC001026536880 720718598 /nfs/dbraw/zinc/71/85/98/720718598.db2.gz CWNBVRKXHHCNLR-UHFFFAOYSA-N 1 0 343.427 2.822 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3ccccn3)C2)cc1C ZINC001026642642 720885121 /nfs/dbraw/zinc/88/51/21/720885121.db2.gz MNDUIWQSGBRETI-QGZVFWFLSA-N 1 0 339.439 2.651 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C)SC)C2)cc1C ZINC001026701710 720940572 /nfs/dbraw/zinc/94/05/72/720940572.db2.gz YMWUWVVFVWPUNY-HOCLYGCPSA-N 1 0 336.501 2.693 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@@H](Cc2ccccc2)N(C)C)c1O ZINC000894149637 720941910 /nfs/dbraw/zinc/94/19/10/720941910.db2.gz MWGHSKMXROMPGS-GOSISDBHSA-N 1 0 328.456 2.972 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C[C@H]3CCCO3)C2)cc1C ZINC001026703990 720947199 /nfs/dbraw/zinc/94/71/99/720947199.db2.gz PONMHIONXSHNRO-ZWKOTPCHSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3cncs3)C2)cc1C ZINC001026713991 720957456 /nfs/dbraw/zinc/95/74/56/720957456.db2.gz PZDHZHORFHFZJZ-OAHLLOKOSA-N 1 0 345.468 2.712 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1O ZINC000894160268 720978391 /nfs/dbraw/zinc/97/83/91/720978391.db2.gz KVLAVGYQWCVEPW-GJZGRUSLSA-N 1 0 336.476 2.687 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3ocnc3C)C2)cc1C ZINC001026756480 721044456 /nfs/dbraw/zinc/04/44/56/721044456.db2.gz KNANZRUXFXZTCM-INIZCTEOSA-N 1 0 343.427 2.552 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3ccn(C)c3)C2)cc1C ZINC001026778842 721090172 /nfs/dbraw/zinc/09/01/72/721090172.db2.gz DSLFACBKUTXOPT-KRWDZBQOSA-N 1 0 341.455 2.594 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3[nH]ccc3C)C2)cc1C ZINC001026817085 721155151 /nfs/dbraw/zinc/15/51/51/721155151.db2.gz GAAZGLULZCTTGR-QGZVFWFLSA-N 1 0 341.455 2.892 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3cc[nH]c3)C2)cc1C ZINC001026862142 721260569 /nfs/dbraw/zinc/26/05/69/721260569.db2.gz XTXKKALRFRBOIA-MRXNPFEDSA-N 1 0 327.428 2.584 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](F)C(C)C)C2)cc1C ZINC001027006932 721503104 /nfs/dbraw/zinc/50/31/04/721503104.db2.gz SIGUAZDMWCSAND-WMZOPIPTSA-N 1 0 336.451 2.936 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCc3ccccc3OC2)c(O)c1OC ZINC000894264277 721787304 /nfs/dbraw/zinc/78/73/04/721787304.db2.gz LRALIDYKCMVMDZ-HNNXBMFYSA-N 1 0 329.396 2.893 20 10 EFCDRO Cc1nn(C)c2ncc(C[NH2+]Cc3ccc(N(C)C)c(F)c3)cc12 ZINC000237130405 721893623 /nfs/dbraw/zinc/89/36/23/721893623.db2.gz JIZUHAFYLMPACT-UHFFFAOYSA-N 1 0 327.407 2.772 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCCNC(=O)c2occc2C)c1O ZINC000894287206 721932468 /nfs/dbraw/zinc/93/24/68/721932468.db2.gz BLIFBSRLVSRIEW-UHFFFAOYSA-N 1 0 332.400 2.520 20 10 EFCDRO COc1ccc(C[NH2+]CCc2ccc3c[nH]nc3c2)c(O)c1OC ZINC000894293127 721972314 /nfs/dbraw/zinc/97/23/14/721972314.db2.gz HQUXGFRFHNXSGH-UHFFFAOYSA-N 1 0 327.384 2.618 20 10 EFCDRO C[C@@H](F)CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013827 722637351 /nfs/dbraw/zinc/63/73/51/722637351.db2.gz IPXPJIUXOGCLIF-OLZOCXBDSA-N 1 0 349.410 2.649 20 10 EFCDRO C[C@H](F)CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013828 722637357 /nfs/dbraw/zinc/63/73/57/722637357.db2.gz IPXPJIUXOGCLIF-QWHCGFSZSA-N 1 0 349.410 2.649 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CC[N@H+](C/C=C\Cl)C2)cc1 ZINC001029013695 722638659 /nfs/dbraw/zinc/63/86/59/722638659.db2.gz GABFKEBOQJPFSN-PRIUKVKNSA-N 1 0 349.822 2.653 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCCCO3)C2)cc1C ZINC000983486284 722660132 /nfs/dbraw/zinc/66/01/32/722660132.db2.gz AXYFFGZQWYEMMS-ZHALLVOQSA-N 1 0 346.471 2.557 20 10 EFCDRO CCOC(=O)N[C@@H](C[NH2+]Cc1cc(C)cc(OC)c1O)CC(C)C ZINC000894383677 722674964 /nfs/dbraw/zinc/67/49/64/722674964.db2.gz HKDSVAFOTOPFPC-OAHLLOKOSA-N 1 0 338.448 2.960 20 10 EFCDRO COC(=O)[C@](C)(C[NH2+]Cc1cc(C)cc(OC)c1O)c1ccccc1 ZINC000894537071 722775449 /nfs/dbraw/zinc/77/54/49/722775449.db2.gz HFUMRJTZNQYILX-HXUWFJFHSA-N 1 0 343.423 2.930 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000894748283 722833537 /nfs/dbraw/zinc/83/35/37/722833537.db2.gz RPJSMDZKCGQEPN-QWHCGFSZSA-N 1 0 333.350 2.702 20 10 EFCDRO COc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c(O)c1OC ZINC000894899883 723018285 /nfs/dbraw/zinc/01/82/85/723018285.db2.gz BWEJAMCLDXRPFU-JKSUJKDBSA-N 1 0 329.396 2.717 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@H](c2nnc[nH]2)c2ccccc2)c1O ZINC000894916632 723027842 /nfs/dbraw/zinc/02/78/42/723027842.db2.gz LFYIGKKDPIAYEB-INIZCTEOSA-N 1 0 338.411 2.749 20 10 EFCDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000067382632 723139150 /nfs/dbraw/zinc/13/91/50/723139150.db2.gz LJIIPOHGPBWVCC-AWEZNQCLSA-N 1 0 334.460 2.743 20 10 EFCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000896124972 723143046 /nfs/dbraw/zinc/14/30/46/723143046.db2.gz HBUSDENGMYCJMW-ZJUUUORDSA-N 1 0 328.206 2.586 20 10 EFCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c1O ZINC000896386152 723278095 /nfs/dbraw/zinc/27/80/95/723278095.db2.gz KRQXVSNRUDINEF-NSHDSACASA-N 1 0 342.233 2.658 20 10 EFCDRO COc1cc(O)c(C[NH2+]C[C@](C)(O)c2cccc(F)c2)cc1OC ZINC000896565486 723377134 /nfs/dbraw/zinc/37/71/34/723377134.db2.gz WTCVSAFJJJKOHE-SFHVURJKSA-N 1 0 335.375 2.546 20 10 EFCDRO C[S@](=O)CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000896678843 723437052 /nfs/dbraw/zinc/43/70/52/723437052.db2.gz OVKYZFNIWPAFOM-QHCPKHFHSA-N 1 0 333.453 2.829 20 10 EFCDRO COC(=O)Cc1ccccc1C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895193104 723860776 /nfs/dbraw/zinc/86/07/76/723860776.db2.gz SNBUBGFNPFXJHN-UHFFFAOYSA-N 1 0 329.396 2.715 20 10 EFCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000896957876 723913701 /nfs/dbraw/zinc/91/37/01/723913701.db2.gz DYCWNSVRIXKIFI-SNVBAGLBSA-N 1 0 328.206 2.540 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)cc1 ZINC000895326450 724034890 /nfs/dbraw/zinc/03/48/90/724034890.db2.gz XVDVTMKUNTVVHO-IEBWSBKVSA-N 1 0 346.496 2.702 20 10 EFCDRO COc1cccc(OC)c1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895333943 724041175 /nfs/dbraw/zinc/04/11/75/724041175.db2.gz MATKKDFZTWSOTH-UHFFFAOYSA-N 1 0 333.384 2.716 20 10 EFCDRO Fc1cc(C[NH2+]Cc2[nH]nc3ccccc32)ccc1N1CCOCC1 ZINC000727467352 724055920 /nfs/dbraw/zinc/05/59/20/724055920.db2.gz TWHRFZKZHJGKME-UHFFFAOYSA-N 1 0 340.402 2.828 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)c1O ZINC000895375054 724086188 /nfs/dbraw/zinc/08/61/88/724086188.db2.gz VKXCIDHILJYZKZ-KRWDZBQOSA-N 1 0 328.412 2.895 20 10 EFCDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895446352 724137319 /nfs/dbraw/zinc/13/73/19/724137319.db2.gz PXMPHEDXMJAWJJ-HXUWFJFHSA-N 1 0 345.439 2.801 20 10 EFCDRO Cn1ncc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1C1CC1 ZINC000895451176 724140159 /nfs/dbraw/zinc/14/01/59/724140159.db2.gz JJXOEWPZYONLLZ-UHFFFAOYSA-N 1 0 340.471 2.548 20 10 EFCDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895463400 724146515 /nfs/dbraw/zinc/14/65/15/724146515.db2.gz RZDLBBMZZCWEEN-RDTXWAMCSA-N 1 0 337.416 2.621 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCCN(C(=O)CC(C)C)CC2)c1O ZINC000895466804 724148583 /nfs/dbraw/zinc/14/85/83/724148583.db2.gz ZXHSEDPRUHAGIH-UHFFFAOYSA-N 1 0 334.460 2.790 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)c(O)c1OC ZINC000895470678 724150959 /nfs/dbraw/zinc/15/09/59/724150959.db2.gz XZRVKGKIIXJDFM-KRWDZBQOSA-N 1 0 342.439 2.774 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000895495282 724166593 /nfs/dbraw/zinc/16/65/93/724166593.db2.gz PYJJMYFUNZGKFC-MRXNPFEDSA-N 1 0 346.814 2.949 20 10 EFCDRO Cc1ccc(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2=O)c(O)c1 ZINC000895495547 724167136 /nfs/dbraw/zinc/16/71/36/724167136.db2.gz SDALDNUKQYRAAH-OAHLLOKOSA-N 1 0 332.350 2.874 20 10 EFCDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1ccc(N(C)C)cc1)C(F)(F)F ZINC000895710420 724269805 /nfs/dbraw/zinc/26/98/05/724269805.db2.gz VFGNZCANAVQCCW-BOLDSZDNSA-N 1 0 332.366 2.686 20 10 EFCDRO CCO/C=C\[C@](O)(C[NH2+]Cc1ccc(N(C)C)cc1C)C(F)(F)F ZINC000895715223 724275057 /nfs/dbraw/zinc/27/50/57/724275057.db2.gz AOXCFERZYYVWKZ-QWGSZXSUSA-N 1 0 346.393 2.994 20 10 EFCDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1ccc2c(c1)CCO2)C(F)(F)F ZINC000895709302 724279601 /nfs/dbraw/zinc/27/96/01/724279601.db2.gz ZDRVXLQDZIBNSJ-DDJMYBDESA-N 1 0 331.334 2.555 20 10 EFCDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1ccc(OCC)cc1O)C(F)(F)F ZINC000895709220 724279768 /nfs/dbraw/zinc/27/97/68/724279768.db2.gz XXMORCRBZDYYDY-ZPIQOJFGSA-N 1 0 349.349 2.724 20 10 EFCDRO c1ccc2nc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cnc2c1 ZINC000727644177 724283283 /nfs/dbraw/zinc/28/32/83/724283283.db2.gz QPPYIIFZSOKHDX-UHFFFAOYSA-N 1 0 334.423 2.756 20 10 EFCDRO CC[C@H](C)[C@H](C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)OC ZINC000895813675 724328423 /nfs/dbraw/zinc/32/84/23/724328423.db2.gz LPHGTYGRJPCBJQ-KXBFYZLASA-N 1 0 347.503 2.539 20 10 EFCDRO COc1ccc(C[NH+]2CCN(c3cccc(F)c3)CC2)c(O)c1OC ZINC000895841503 724337928 /nfs/dbraw/zinc/33/79/28/724337928.db2.gz HHVGGQUXQJOBIQ-UHFFFAOYSA-N 1 0 346.402 2.871 20 10 EFCDRO COc1ccc(C[NH2+]Cc2cc3c([nH]c2=O)CCCC3)c(O)c1OC ZINC000895880739 724366090 /nfs/dbraw/zinc/36/60/90/724366090.db2.gz YWZFKOGSOAJJGY-UHFFFAOYSA-N 1 0 344.411 2.679 20 10 EFCDRO Cc1cc(C(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccccc1C ZINC000728913600 724883247 /nfs/dbraw/zinc/88/32/47/724883247.db2.gz NSOJJZVPDAYFNH-HDICACEKSA-N 1 0 337.467 2.736 20 10 EFCDRO CC(C)[N@H+](C)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000985815919 724908681 /nfs/dbraw/zinc/90/86/81/724908681.db2.gz SBUDRAOPYXEOEH-UHFFFAOYSA-N 1 0 331.420 2.794 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(C)(F)F)[C@H]2C)cc1C ZINC000985876166 724938576 /nfs/dbraw/zinc/93/85/76/724938576.db2.gz ZHAWPKPXTHATHU-JSGCOSHPSA-N 1 0 326.387 2.738 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccccn3)[C@@H]2C)cc1C ZINC000985883526 724944965 /nfs/dbraw/zinc/94/49/65/724944965.db2.gz HGMZQZLZUQUTEK-NVXWUHKLSA-N 1 0 339.439 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccco3)[C@H]2C)cc1C ZINC000985889137 724950078 /nfs/dbraw/zinc/95/00/78/724950078.db2.gz YWOUVCQPMDMKGS-HOCLYGCPSA-N 1 0 328.412 2.989 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccc[nH]3)[C@@H]2C)cc1C ZINC000985982335 724998607 /nfs/dbraw/zinc/99/86/07/724998607.db2.gz MREDTRPYVZWEIL-ZBFHGGJFSA-N 1 0 327.428 2.725 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ncoc3C)[C@H]2C)cc1C ZINC000986022027 725012525 /nfs/dbraw/zinc/01/25/25/725012525.db2.gz DWDALRILYCIPRG-BBRMVZONSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cncs3)[C@@H]2C)cc1C ZINC000986040500 725022708 /nfs/dbraw/zinc/02/27/08/725022708.db2.gz KPGQGDLPNIPFFE-HIFRSBDPSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3nccs3)[C@H]2C)cc1C ZINC000987230759 725601668 /nfs/dbraw/zinc/60/16/68/725601668.db2.gz SLKNKVYOYKOYBO-DZGCQCFKSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3nccs3)[C@H]2C)cc1C ZINC000987230770 725601890 /nfs/dbraw/zinc/60/18/90/725601890.db2.gz SLKNKVYOYKOYBO-ZFWWWQNUSA-N 1 0 345.468 2.853 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCOC1 ZINC000151542968 725612785 /nfs/dbraw/zinc/61/27/85/725612785.db2.gz AUIZRZHEYCHTJI-YJBOKZPZSA-N 1 0 336.451 2.692 20 10 EFCDRO Cc1cc(C(=O)CN2CC[C@H](CO)C2)c(C)n1-c1cccc(C)c1 ZINC000174706539 725707699 /nfs/dbraw/zinc/70/76/99/725707699.db2.gz VIEMXMQEQFDFAX-KRWDZBQOSA-N 1 0 326.440 2.899 20 10 EFCDRO CC(C)[NH+]1CCC(NC(=O)NCCCSc2nccs2)CC1 ZINC000151669087 725806969 /nfs/dbraw/zinc/80/69/69/725806969.db2.gz ROGAOAFOLNXHCL-UHFFFAOYSA-N 1 0 342.534 2.797 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3cc(C)on3)C2)cc1C ZINC000987960176 725925353 /nfs/dbraw/zinc/92/53/53/725925353.db2.gz JYOFIWSGWBBYJP-BBRMVZONSA-N 1 0 343.427 2.693 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925400807 725936328 /nfs/dbraw/zinc/93/63/28/725936328.db2.gz WBVVWVKNEVGLDO-SFHVURJKSA-N 1 0 330.476 2.522 20 10 EFCDRO CCC[N@@H+]1CC[C@]2(NC(=O)c3ccc(N=NC(N)=O)cc3)CCC[C@H]12 ZINC000992546536 725956412 /nfs/dbraw/zinc/95/64/12/725956412.db2.gz KBSFKIZFFGNNGE-MAUKXSAKSA-N 1 0 343.431 2.986 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@H+](CCF)CC3)cc1 ZINC000992547859 725956455 /nfs/dbraw/zinc/95/64/55/725956455.db2.gz LYEYWTXNIVUYQL-YOEHRIQHSA-N 1 0 347.394 2.545 20 10 EFCDRO CC(C)[N@@H+]1CC[C@@]2(NC(=O)c3ccc(N=NC(N)=O)cc3)CCC[C@H]12 ZINC000992549936 725958565 /nfs/dbraw/zinc/95/85/65/725958565.db2.gz OUXPMLYYEYIVFL-YJBOKZPZSA-N 1 0 343.431 2.984 20 10 EFCDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCCSc1nccs1 ZINC000152192592 725971537 /nfs/dbraw/zinc/97/15/37/725971537.db2.gz GNIXMZUGTOJISU-ZDUSSCGKSA-N 1 0 342.534 2.799 20 10 EFCDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000090462916 725985894 /nfs/dbraw/zinc/98/58/94/725985894.db2.gz KUJLHEKYPOGNMS-CJNGLKHVSA-N 1 0 339.505 2.545 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3ccc[nH]3)C2)cc1C ZINC000988038197 726036461 /nfs/dbraw/zinc/03/64/61/726036461.db2.gz QNWAPHHCPYYIDH-ZBFHGGJFSA-N 1 0 327.428 2.725 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3cccn3C)C2)cc1C ZINC000988155118 726088298 /nfs/dbraw/zinc/08/82/98/726088298.db2.gz IUAFBQRPTCIMRA-WBVHZDCISA-N 1 0 341.455 2.735 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3cscn3)C2)cc1C ZINC000988352490 726203880 /nfs/dbraw/zinc/20/38/80/726203880.db2.gz PEHYCNMTMQOFHE-ZFWWWQNUSA-N 1 0 345.468 2.853 20 10 EFCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000152802371 726259584 /nfs/dbraw/zinc/25/95/84/726259584.db2.gz ZPNFTQPPCRRPHL-ZDUSSCGKSA-N 1 0 342.534 2.656 20 10 EFCDRO CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]21 ZINC000992928090 726343429 /nfs/dbraw/zinc/34/34/29/726343429.db2.gz WCTFMAVOVJILHM-VNQPRFMTSA-N 1 0 343.431 2.699 20 10 EFCDRO COC(=O)c1ccnc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000897523236 726402541 /nfs/dbraw/zinc/40/25/41/726402541.db2.gz SDJKWALKLBTDLM-QGZVFWFLSA-N 1 0 342.443 2.649 20 10 EFCDRO CN(C)c1ccc([C@@H](CNc2cc(Cl)n[nH]c2=O)[NH+](C)C)cc1 ZINC000897522913 726402900 /nfs/dbraw/zinc/40/29/00/726402900.db2.gz PTDMPYZALQCTNG-CQSZACIVSA-N 1 0 335.839 2.616 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000731120181 726807660 /nfs/dbraw/zinc/80/76/60/726807660.db2.gz PQVYSYNKCNLXPD-GOSISDBHSA-N 1 0 344.503 2.816 20 10 EFCDRO CC(C)(C)NC(=O)NC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000731846120 726941924 /nfs/dbraw/zinc/94/19/24/726941924.db2.gz SOABTTQIEUGSII-UHFFFAOYSA-N 1 0 347.459 2.761 20 10 EFCDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1=CC(=O)CS1 ZINC000732286195 727016375 /nfs/dbraw/zinc/01/63/75/727016375.db2.gz BUSXSFKBHQMPNP-HNNXBMFYSA-N 1 0 330.453 2.748 20 10 EFCDRO Nc1ccc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000237971977 727059808 /nfs/dbraw/zinc/05/98/08/727059808.db2.gz GBGMRDQAOGXBDI-UHFFFAOYSA-N 1 0 338.455 2.810 20 10 EFCDRO Cc1nn(C)c(Cl)c1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000732411226 727072744 /nfs/dbraw/zinc/07/27/44/727072744.db2.gz WDJSVZYJEVUAAV-UHFFFAOYSA-N 1 0 336.867 2.959 20 10 EFCDRO CC[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@@H]1COc2ccccc2O1 ZINC000915824789 727174353 /nfs/dbraw/zinc/17/43/53/727174353.db2.gz IULKQPSEIZEOTA-CQSZACIVSA-N 1 0 343.379 2.783 20 10 EFCDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)C1=CC(=O)CS1 ZINC000732678013 727181863 /nfs/dbraw/zinc/18/18/63/727181863.db2.gz LDGVDOXNJJHYOL-UHFFFAOYSA-N 1 0 340.514 2.935 20 10 EFCDRO C[N@@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC12CCCCC2 ZINC000908573900 727219180 /nfs/dbraw/zinc/21/91/80/727219180.db2.gz VKWDBSSPXBXRBD-SOFGYWHQSA-N 1 0 330.428 2.588 20 10 EFCDRO O=C(NCc1ccc(O)cc1O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000910952160 727472754 /nfs/dbraw/zinc/47/27/54/727472754.db2.gz QTOBBVOTTYCCLC-KRWDZBQOSA-N 1 0 340.423 2.626 20 10 EFCDRO CC[NH+](CC)[C@@H](C(=O)NCc1ccc(O)cc1O)c1ccccc1 ZINC000910954750 727472943 /nfs/dbraw/zinc/47/29/43/727472943.db2.gz MKBLQVLUGWQPHQ-GOSISDBHSA-N 1 0 328.412 2.797 20 10 EFCDRO CCC[N@@H+]1CCC[C@@H](C(=O)NCc2ccc3cccnc3c2O)C1 ZINC000911263295 727521365 /nfs/dbraw/zinc/52/13/65/727521365.db2.gz XPGQQSONSHDYNP-MRXNPFEDSA-N 1 0 327.428 2.679 20 10 EFCDRO O=C(NCc1ccc2cccnc2c1O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000911263598 727521536 /nfs/dbraw/zinc/52/15/36/727521536.db2.gz ZUSHNGAEJSQWBT-HZPDHXFCSA-N 1 0 325.412 2.574 20 10 EFCDRO Cc1ccc(C(F)(F)C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000911665863 727576536 /nfs/dbraw/zinc/57/65/36/727576536.db2.gz FOTBSTVIVMZYLA-QGZVFWFLSA-N 1 0 347.409 2.969 20 10 EFCDRO Cc1ccccc1[C@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911666297 727576572 /nfs/dbraw/zinc/57/65/72/727576572.db2.gz IAPAARMACICVPF-KXBFYZLASA-N 1 0 325.456 2.981 20 10 EFCDRO CC(C)Cc1ncc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000911667967 727576927 /nfs/dbraw/zinc/57/69/27/727576927.db2.gz VMMSLZMQSTZWCP-HNNXBMFYSA-N 1 0 346.500 2.837 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C[C@@H](O)COCc2ccco2)C2CC2)cc1 ZINC000917014232 727754887 /nfs/dbraw/zinc/75/48/87/727754887.db2.gz PDLLNYRUNLIEBA-LJQANCHMSA-N 1 0 344.455 2.888 20 10 EFCDRO CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC000994497171 727771957 /nfs/dbraw/zinc/77/19/57/727771957.db2.gz QJMIOJYZSVGYEL-IUODEOHRSA-N 1 0 331.420 2.842 20 10 EFCDRO C[C@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCC[N@@H+]1CCCF ZINC000994497772 727772125 /nfs/dbraw/zinc/77/21/25/727772125.db2.gz RENZGSUYHWOCRB-WFASDCNBSA-N 1 0 349.410 2.791 20 10 EFCDRO C[C@@H]1C[C@H](NC(=O)NCCCSc2nccs2)C[N@@H+]1C1CC1 ZINC000154409457 727811640 /nfs/dbraw/zinc/81/16/40/727811640.db2.gz AJCSELMRQVEGLZ-NEPJUHHUSA-N 1 0 340.518 2.550 20 10 EFCDRO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c(C)n1-c1ccccn1 ZINC000151293891 727824354 /nfs/dbraw/zinc/82/43/54/727824354.db2.gz WHTCSFMKKRRPFD-GOSISDBHSA-N 1 0 340.471 2.901 20 10 EFCDRO CCCC[N@H+](Cc1cc(C)c(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000054847211 727882239 /nfs/dbraw/zinc/88/22/39/727882239.db2.gz OUDUNNSXACWSPL-MRXNPFEDSA-N 1 0 325.474 2.798 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2cc(F)ccc2F)c1 ZINC000182366528 728119905 /nfs/dbraw/zinc/11/99/05/728119905.db2.gz LCIQWEGDBYQGAZ-JTQLQIEISA-N 1 0 336.338 2.968 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2cccc(C(C)=O)c2)c1 ZINC000182396029 728134751 /nfs/dbraw/zinc/13/47/51/728134751.db2.gz KAEUCHBMDPKNRZ-LBPRGKRZSA-N 1 0 342.395 2.893 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000182406525 728146010 /nfs/dbraw/zinc/14/60/10/728146010.db2.gz INLORWVWLHROIH-VWPFQQQWSA-N 1 0 334.460 2.992 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2cc(C(C)(C)C)no2)c1 ZINC000182431228 728149393 /nfs/dbraw/zinc/14/93/93/728149393.db2.gz UDJSZUZMIKWAHI-LLVKDONJSA-N 1 0 347.415 2.976 20 10 EFCDRO CC(C)[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000995228092 728405456 /nfs/dbraw/zinc/40/54/56/728405456.db2.gz HCFNAAYLCCICIS-IUODEOHRSA-N 1 0 331.420 2.746 20 10 EFCDRO CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000995228099 728405519 /nfs/dbraw/zinc/40/55/19/728405519.db2.gz HCFNAAYLCCICIS-WFASDCNBSA-N 1 0 331.420 2.746 20 10 EFCDRO C[C@@H](C[NH2+]Cc1cccc(Br)c1[O-])C[NH+]1CCCC1 ZINC000060942133 728450960 /nfs/dbraw/zinc/45/09/60/728450960.db2.gz LGRSJAVYDGMCNV-LBPRGKRZSA-N 1 0 327.266 2.976 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NCCC[NH+]2CCCCC2)c1 ZINC000171416312 728534624 /nfs/dbraw/zinc/53/46/24/728534624.db2.gz FZRWWZJIZFXLRB-AWEZNQCLSA-N 1 0 335.448 2.637 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000171755780 728551018 /nfs/dbraw/zinc/55/10/18/728551018.db2.gz GRJAKOQGRLELQM-KRWDZBQOSA-N 1 0 332.492 2.674 20 10 EFCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000173374303 728624672 /nfs/dbraw/zinc/62/46/72/728624672.db2.gz ZRJRMSRBSAUUGW-QGZVFWFLSA-N 1 0 348.487 2.692 20 10 EFCDRO COc1ccc(O)c(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c1 ZINC000188806243 728626292 /nfs/dbraw/zinc/62/62/92/728626292.db2.gz PRBUGFAGLOLASC-SWLSCSKDSA-N 1 0 333.350 2.974 20 10 EFCDRO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920871017 729238422 /nfs/dbraw/zinc/23/84/22/729238422.db2.gz VRRKMHBKAVNAAX-BBWFWOEESA-N 1 0 347.503 2.867 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)c3cnco3)C2)cc1C ZINC000995030843 729246973 /nfs/dbraw/zinc/24/69/73/729246973.db2.gz DDYYQCAFSZILEC-JKSUJKDBSA-N 1 0 343.427 2.680 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)c3cnco3)C2)cc1C ZINC000995030836 729247145 /nfs/dbraw/zinc/24/71/45/729247145.db2.gz DDYYQCAFSZILEC-CVEARBPZSA-N 1 0 343.427 2.680 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)c3cnco3)C2)cc1C ZINC000995030841 729247161 /nfs/dbraw/zinc/24/71/61/729247161.db2.gz DDYYQCAFSZILEC-HZPDHXFCSA-N 1 0 343.427 2.680 20 10 EFCDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000921118280 729262024 /nfs/dbraw/zinc/26/20/24/729262024.db2.gz OGOGQSRKRJGBGT-MRXNPFEDSA-N 1 0 332.492 2.816 20 10 EFCDRO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000921496185 729462286 /nfs/dbraw/zinc/46/22/86/729462286.db2.gz PPDVZRDYRAYVSM-HNNXBMFYSA-N 1 0 342.439 2.983 20 10 EFCDRO Cc1cc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c(C)n1-c1ccccn1 ZINC000237639366 729593642 /nfs/dbraw/zinc/59/36/42/729593642.db2.gz BSFATTQBTZSIJN-SUMWQHHRSA-N 1 0 326.444 2.689 20 10 EFCDRO CCOc1cccc(N2CC[NH+](Cc3cc(OC)ccc3O)CC2)n1 ZINC000179778600 729623488 /nfs/dbraw/zinc/62/34/88/729623488.db2.gz KNCYOLHJESBFES-UHFFFAOYSA-N 1 0 343.427 2.517 20 10 EFCDRO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1cccs1 ZINC000180596023 729761856 /nfs/dbraw/zinc/76/18/56/729761856.db2.gz BLSWDYJULYCGPE-STMXVASLSA-N 1 0 332.425 2.592 20 10 EFCDRO CCC[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1O ZINC000069009982 729770603 /nfs/dbraw/zinc/77/06/03/729770603.db2.gz KGSNLQOTAHZITA-UHFFFAOYSA-N 1 0 338.407 2.900 20 10 EFCDRO C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)[N@H+](C)Cc1ccccc1 ZINC000181065259 729777945 /nfs/dbraw/zinc/77/79/45/729777945.db2.gz YTLYINAKDBJUSZ-GDXASINISA-N 1 0 340.423 2.748 20 10 EFCDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000189017626 1126077676 /nfs/dbraw/zinc/07/76/76/1126077676.db2.gz PAMIBFOBUPEJHN-FQEVSTJZSA-N 1 0 340.467 2.525 20 10 EFCDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(C)cc2O)cc1OC ZINC000877831681 1126123527 /nfs/dbraw/zinc/12/35/27/1126123527.db2.gz WOYSRWQKXBNXMI-FQEVSTJZSA-N 1 0 345.439 2.801 20 10 EFCDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000873190943 1126118610 /nfs/dbraw/zinc/11/86/10/1126118610.db2.gz GORZWDTYDOOKBV-FQEVSTJZSA-N 1 0 328.456 2.845 20 10 EFCDRO COc1cccc(O)c1C[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000883003860 1126124343 /nfs/dbraw/zinc/12/43/43/1126124343.db2.gz LWKBPNIUJSECDM-AWEZNQCLSA-N 1 0 326.396 2.575 20 10 EFCDRO Cc1cc(CCNC(=O)C2CC[NH2+]CC2)c(C)n1-c1ccccc1 ZINC001574134957 1087953722 /nfs/dbraw/zinc/95/37/22/1087953722.db2.gz NIBUZSHMOLISOA-UHFFFAOYSA-N 1 0 325.456 2.752 20 10 EFCDRO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2ccc(N)cc2)CC1 ZINC001574987940 1088187410 /nfs/dbraw/zinc/18/74/10/1088187410.db2.gz YQBPGAYZJGYNHK-UHFFFAOYSA-N 1 0 344.484 2.738 20 10 EFCDRO CC[C@H](CC(F)(F)F)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001577043603 1089611223 /nfs/dbraw/zinc/61/12/23/1089611223.db2.gz KFBLNXTWHZBSPX-RISCZKNCSA-N 1 0 331.382 2.847 20 10 EFCDRO CCCC[C@H](C[NH3+])NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001577390724 1089904982 /nfs/dbraw/zinc/90/49/82/1089904982.db2.gz USGAJQKANMXYNW-QGZVFWFLSA-N 1 0 332.492 2.946 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2C[NH2+]CCC23CCC3)cc1 ZINC001577697527 1090133014 /nfs/dbraw/zinc/13/30/14/1090133014.db2.gz MRKGMKIMAWDFKI-SFHVURJKSA-N 1 0 329.488 2.929 20 10 EFCDRO CN(C)c1ccc(CN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)C2CC2)cc1 ZINC001578425445 1090369086 /nfs/dbraw/zinc/36/90/86/1090369086.db2.gz DKWNLFMNOJZLEJ-ICSRJNTNSA-N 1 0 327.472 2.633 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)/C=C/SCc2ccco2)cc1 ZINC001578424770 1090369108 /nfs/dbraw/zinc/36/91/08/1090369108.db2.gz VCJNNGFSDPPJDH-QXLXQBSBSA-N 1 0 345.468 2.909 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(C(F)(F)F)CCCC2)cc1 ZINC001578424279 1090369216 /nfs/dbraw/zinc/36/92/16/1090369216.db2.gz COPLEQOAZQIFBO-AWEZNQCLSA-N 1 0 343.393 2.991 20 10 EFCDRO CN(C)c1ccc(CN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)C2CC2)cc1 ZINC001578425448 1090369326 /nfs/dbraw/zinc/36/93/26/1090369326.db2.gz DKWNLFMNOJZLEJ-QUCCMNQESA-N 1 0 327.472 2.633 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)/C=C/COc2ccccc2)cc1 ZINC001578424848 1090369503 /nfs/dbraw/zinc/36/95/03/1090369503.db2.gz ZCVDFLLXKRZSRY-AIADIJKESA-N 1 0 339.439 2.504 20 10 EFCDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1([NH3+])Cc2ccccc2C1 ZINC001578489854 1090385147 /nfs/dbraw/zinc/38/51/47/1090385147.db2.gz QJUKJJHDSDXYNO-UHFFFAOYSA-N 1 0 349.478 2.742 20 10 EFCDRO C[NH2+]CCCN(C)C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC001578683932 1090420391 /nfs/dbraw/zinc/42/03/91/1090420391.db2.gz DNXZHVFSFATDQJ-UHFFFAOYSA-N 1 0 341.455 2.517 20 10 EFCDRO C[NH2+]CCOCCN(C)C(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001578706320 1090423299 /nfs/dbraw/zinc/42/32/99/1090423299.db2.gz LTIUQSOIGAEYRG-UHFFFAOYSA-N 1 0 343.471 2.711 20 10 EFCDRO COC(=O)c1c(CN(C)CC[C@@H]([NH3+])C(C)C)c2cc(F)ccc2n1C ZINC001578850252 1090453698 /nfs/dbraw/zinc/45/36/98/1090453698.db2.gz BNYNZTBMAKOOJK-MRXNPFEDSA-N 1 0 349.450 2.909 20 10 EFCDRO COc1ccc(CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)c(O)c1OC ZINC001579213053 1090548910 /nfs/dbraw/zinc/54/89/10/1090548910.db2.gz CCGQPSWEWUDTCK-MRXNPFEDSA-N 1 0 346.402 2.695 20 10 EFCDRO COc1ccc(N2CCN(C(=O)[C@@H]([NH3+])C3CCCCCC3)CC2)cc1 ZINC001579225072 1090551265 /nfs/dbraw/zinc/55/12/65/1090551265.db2.gz CWHKTBUSOSMLTN-IBGZPJMESA-N 1 0 345.487 2.642 20 10 EFCDRO COc1cccc(C[C@@H]([NH3+])C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC001579273462 1090573401 /nfs/dbraw/zinc/57/34/01/1090573401.db2.gz UPIHSCUAAWOGIE-IFXJQAMLSA-N 1 0 341.455 2.508 20 10 EFCDRO CSCC[C@H]([NH3+])C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001579379227 1090600021 /nfs/dbraw/zinc/60/00/21/1090600021.db2.gz YEUNMQZPBJTXEL-KRWDZBQOSA-N 1 0 331.485 2.791 20 10 EFCDRO Cc1cc(CCNC(=O)NCC[C@H](C)[NH3+])c(C)n1-c1ccccc1 ZINC001579592533 1090638716 /nfs/dbraw/zinc/63/87/16/1090638716.db2.gz FINBHJRRYRCAPF-AWEZNQCLSA-N 1 0 328.460 2.673 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC001579617372 1090643827 /nfs/dbraw/zinc/64/38/27/1090643827.db2.gz OQCHLKNEOREUDE-HZPDHXFCSA-N 1 0 346.519 2.679 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC1([NH3+])CCCCC1 ZINC001579616873 1090644088 /nfs/dbraw/zinc/64/40/88/1090644088.db2.gz HJGXMKNHSYEBMS-MRXNPFEDSA-N 1 0 346.519 2.953 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCC[NH2+]C(C)C ZINC001579617620 1090644906 /nfs/dbraw/zinc/64/49/06/1090644906.db2.gz QKSDDNNTVZBYHL-INIZCTEOSA-N 1 0 334.508 2.679 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCC[NH2+]CC2)ccc1C ZINC001579660927 1090655316 /nfs/dbraw/zinc/65/53/16/1090655316.db2.gz WIKYUDYZOFCOIR-UHFFFAOYSA-N 1 0 339.439 2.651 20 10 EFCDRO Cc1cc(CNC(=O)[C@H](C)C2C[NH2+]C2)c(C)n1-c1cccc(C)c1 ZINC001579746907 1090677679 /nfs/dbraw/zinc/67/76/79/1090677679.db2.gz DNRCJWHMOOIQIX-OAHLLOKOSA-N 1 0 325.456 2.874 20 10 EFCDRO [NH3+][C@@H](C(=O)NCc1cccc(Br)c1O)C1CCCCC1 ZINC001580113368 1090775806 /nfs/dbraw/zinc/77/58/06/1090775806.db2.gz HGDHDSIUKVOVJC-CYBMUJFWSA-N 1 0 341.249 2.679 20 10 EFCDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001580376233 1090883575 /nfs/dbraw/zinc/88/35/75/1090883575.db2.gz GVQJHEMHSZHYKU-DOTOQJQBSA-N 1 0 334.375 2.528 20 10 EFCDRO Nc1ccc(C[NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)cc1 ZINC001580445623 1090902020 /nfs/dbraw/zinc/90/20/20/1090902020.db2.gz MTMPDSNYYVMTGU-SFHVURJKSA-N 1 0 325.412 2.770 20 10 EFCDRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N(Cc1ccco1)Cc1ccccc1O ZINC001580479566 1090913662 /nfs/dbraw/zinc/91/36/62/1090913662.db2.gz VAANAYGUNAHMKH-FXAWDEMLSA-N 1 0 340.423 2.904 20 10 EFCDRO O=C(NCc1cc(Cl)ccc1O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001580707895 1090990023 /nfs/dbraw/zinc/99/00/23/1090990023.db2.gz GJWRNUCORCNTKX-UHFFFAOYSA-N 1 0 347.802 2.849 20 10 EFCDRO O=C(NCc1cccc(Cl)c1O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC001580719057 1090992417 /nfs/dbraw/zinc/99/24/17/1090992417.db2.gz YQLYAQFRDWBILX-UHFFFAOYSA-N 1 0 347.802 2.849 20 10 EFCDRO [O-]c1c(F)cc(Br)cc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC001580885583 1091034747 /nfs/dbraw/zinc/03/47/47/1091034747.db2.gz FSXOEIKYOASVDY-LBPRGKRZSA-N 1 0 329.213 2.526 20 10 EFCDRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(Cl)cc1O ZINC001591136160 1093667993 /nfs/dbraw/zinc/66/79/93/1093667993.db2.gz JDLGQTCKALGYCP-UHFFFAOYSA-N 1 0 329.791 2.858 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(F)c2-c2nn[nH]n2)c1 ZINC001591618151 1093801908 /nfs/dbraw/zinc/80/19/08/1093801908.db2.gz GGVNCJVRWXHZPQ-SNVBAGLBSA-N 1 0 343.362 2.571 20 10 EFCDRO Cc1cc(NCc2ccc(N3CCCCC3)cc2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592052711 1093968297 /nfs/dbraw/zinc/96/82/97/1093968297.db2.gz UZULCZHSEBKIGD-UHFFFAOYSA-N 1 0 349.442 2.594 20 10 EFCDRO c1cc(C[NH2+]C2(c3ccc(-c4nn[nH]n4)cc3)CCC2)cc2c1OCC2 ZINC001593565731 1094372555 /nfs/dbraw/zinc/37/25/55/1094372555.db2.gz VAPTXEDEQLUHFZ-UHFFFAOYSA-N 1 0 347.422 2.971 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1cc(-c2nn[nH]n2)cs1 ZINC001605683404 1097194495 /nfs/dbraw/zinc/19/44/95/1097194495.db2.gz GBZAMSJTTJMMSW-UHFFFAOYSA-N 1 0 342.472 2.935 20 10 EFCDRO Clc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)ccc1-c1nn[nH]n1 ZINC001606188299 1097342788 /nfs/dbraw/zinc/34/27/88/1097342788.db2.gz HURSOQHCKRNFCY-UHFFFAOYSA-N 1 0 341.802 2.745 20 10 EFCDRO Oc1cccc(Br)c1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222242219 1098633666 /nfs/dbraw/zinc/63/36/66/1098633666.db2.gz CGNLCRBWBSWOJE-OAHLLOKOSA-N 1 0 325.250 2.873 20 10 EFCDRO O=C(Cc1ccc(O)c(O)c1)N1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001270580239 1099227396 /nfs/dbraw/zinc/22/73/96/1099227396.db2.gz LSBPISGQHGPRKB-UHFFFAOYSA-N 1 0 344.455 2.507 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(C)c(F)c2)cc1C ZINC000030670463 1099478366 /nfs/dbraw/zinc/47/83/66/1099478366.db2.gz KDHOMDXOLGHBRY-UHFFFAOYSA-N 1 0 330.403 2.971 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000840310240 1100993995 /nfs/dbraw/zinc/99/39/95/1100993995.db2.gz QPHPQCDHORTENM-JZXOWHBKSA-N 1 0 346.519 2.774 20 10 EFCDRO Cc1cc2cnc(NCc3ccc(N4CC[NH+](C)CC4)cc3)nc2[nH]1 ZINC001167423429 1101574139 /nfs/dbraw/zinc/57/41/39/1101574139.db2.gz ZHERXZUQPPCVEG-UHFFFAOYSA-N 1 0 336.443 2.582 20 10 EFCDRO COc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncc1F ZINC001167426228 1101583846 /nfs/dbraw/zinc/58/38/46/1101583846.db2.gz CNOHCYLFBFUXFX-UHFFFAOYSA-N 1 0 330.407 2.593 20 10 EFCDRO COc1cccc(N)c1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167434082 1101659202 /nfs/dbraw/zinc/65/92/02/1101659202.db2.gz APHRVIKFXXCZCF-UHFFFAOYSA-N 1 0 326.444 2.641 20 10 EFCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(N3CCOCC3)CCOCC2)c(O)c1 ZINC000840780715 1101676570 /nfs/dbraw/zinc/67/65/70/1101676570.db2.gz NENKSULDJKSHMA-KRWDZBQOSA-N 1 0 348.487 2.541 20 10 EFCDRO COc1cc(O)c(CN2C[C@@H](C[NH3+])CC[C@@H]2C)c(Br)c1 ZINC001206810781 1101679208 /nfs/dbraw/zinc/67/92/08/1101679208.db2.gz PLPYOZVFYMDNDH-WDEREUQCSA-N 1 0 343.265 2.723 20 10 EFCDRO CCOCc1cncc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001167437656 1101724466 /nfs/dbraw/zinc/72/44/66/1101724466.db2.gz XRKOAQFBFXKENW-UHFFFAOYSA-N 1 0 340.471 2.982 20 10 EFCDRO CC[NH2+]C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001075366509 1101975684 /nfs/dbraw/zinc/97/56/84/1101975684.db2.gz FIJYYTSDYWQMOS-GXTWGEPZSA-N 1 0 331.420 2.557 20 10 EFCDRO CC[NH2+]C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001075366512 1101975937 /nfs/dbraw/zinc/97/59/37/1101975937.db2.gz FIJYYTSDYWQMOS-TZMCWYRMSA-N 1 0 331.420 2.557 20 10 EFCDRO CC[N@H+](CCCC(=O)OC)Cc1c(O)cccc1Br ZINC001140098846 1102126412 /nfs/dbraw/zinc/12/64/12/1102126412.db2.gz PBXCYHZKGNPJHO-UHFFFAOYSA-N 1 0 330.222 2.930 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccncc2Cl)cc1C ZINC001167280741 1102262980 /nfs/dbraw/zinc/26/29/80/1102262980.db2.gz PNXKLRDRJGBYDB-UHFFFAOYSA-N 1 0 347.846 2.962 20 10 EFCDRO COC(=O)N1CCC([NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840892937 1102384888 /nfs/dbraw/zinc/38/48/88/1102384888.db2.gz FFZSBUIOOZFISC-OAHLLOKOSA-N 1 0 333.476 2.812 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCO[C@@H](c2nccn2C)C1 ZINC000840952551 1102548515 /nfs/dbraw/zinc/54/85/15/1102548515.db2.gz DXEBQGCPKXUYEC-FUHWJXTLSA-N 1 0 328.460 2.804 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCCCN(C(=O)[C@@H](C)OC)C2)cc1C ZINC001088275305 1102583690 /nfs/dbraw/zinc/58/36/90/1102583690.db2.gz VPKGSPCHBXMBQF-SJLPKXTDSA-N 1 0 348.487 2.899 20 10 EFCDRO O=C(CCc1ccc(O)c(O)c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001271835036 1102857108 /nfs/dbraw/zinc/85/71/08/1102857108.db2.gz WIWLEIILZGJCDC-CALCHBBNSA-N 1 0 344.455 2.648 20 10 EFCDRO C[C@H](C[NH3+])NCc1ccc(N2CCCCC2)c(Br)c1 ZINC000841060593 1102917492 /nfs/dbraw/zinc/91/74/92/1102917492.db2.gz NKTBKJOPPVRACS-GFCCVEGCSA-N 1 0 326.282 2.876 20 10 EFCDRO Cc1cc(Br)cc(CN2CC[C@]3(CCC[NH2+]3)C2)c1O ZINC000841105636 1102981039 /nfs/dbraw/zinc/98/10/39/1102981039.db2.gz UOVOKMKWUVJDTG-OAHLLOKOSA-N 1 0 325.250 2.791 20 10 EFCDRO Cc1cc(Br)cc(CN2CC[C@@]3(CCC[NH2+]3)C2)c1O ZINC000841105635 1102981626 /nfs/dbraw/zinc/98/16/26/1102981626.db2.gz UOVOKMKWUVJDTG-HNNXBMFYSA-N 1 0 325.250 2.791 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2O)[C@H](N)c2ccccc2O)CCO1 ZINC001168094828 1103177091 /nfs/dbraw/zinc/17/70/91/1103177091.db2.gz ZQAWINFNWBXRBR-UYVJDWJCSA-N 1 0 342.439 2.996 20 10 EFCDRO COc1ccc(OC)c(NC(=S)NCc2cc(N(C)C)cc[nH+]2)c1 ZINC000905618878 1103422251 /nfs/dbraw/zinc/42/22/51/1103422251.db2.gz PZLXMEUHHRQNET-UHFFFAOYSA-N 1 0 346.456 2.651 20 10 EFCDRO Cc1ccc([C@@H](O)C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000905704775 1103515049 /nfs/dbraw/zinc/51/50/49/1103515049.db2.gz OPYOPDMOEDDOCY-SFTDATJTSA-N 1 0 341.499 2.987 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@H](O)c2ccccc2)N(C)C)cc1 ZINC000905706990 1103516715 /nfs/dbraw/zinc/51/67/15/1103516715.db2.gz XDXCKOGWSAPPAM-UXHICEINSA-N 1 0 327.472 2.679 20 10 EFCDRO CC[NH2+][C@H]1CCCCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001088432089 1103592928 /nfs/dbraw/zinc/59/29/28/1103592928.db2.gz MLJOQSMROSFSMD-HNNXBMFYSA-N 1 0 331.420 2.843 20 10 EFCDRO CCCCN(Cc1cn(-c2ccn(C)n2)nn1)Cc1ccccc1O ZINC000906298589 1104096122 /nfs/dbraw/zinc/09/61/22/1104096122.db2.gz KDIGNHPDXAAOQY-UHFFFAOYSA-N 1 0 340.431 2.509 20 10 EFCDRO CCC[N@@H+]1CCC[C@H](C(=O)NCCCSc2nccs2)C1 ZINC000906671153 1104421802 /nfs/dbraw/zinc/42/18/02/1104421802.db2.gz NQGFQZWNHJWKAH-ZDUSSCGKSA-N 1 0 327.519 2.864 20 10 EFCDRO Cc1cc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)c(C)n1-c1ccccn1 ZINC000729625250 1104617499 /nfs/dbraw/zinc/61/74/99/1104617499.db2.gz FFRJYPOHPRHBDS-KRWDZBQOSA-N 1 0 328.460 2.805 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3C[C@@](C)(O)C[NH2+]3)n2)cc1 ZINC001211934826 1104641242 /nfs/dbraw/zinc/64/12/42/1104641242.db2.gz FHBYZMAEXCICAS-QFBILLFUSA-N 1 0 338.411 2.930 20 10 EFCDRO COCc1nc(C)cc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000897525714 1104958201 /nfs/dbraw/zinc/95/82/01/1104958201.db2.gz SYBDOTWEXJDLCY-QGZVFWFLSA-N 1 0 343.475 2.712 20 10 EFCDRO CN(C)c1ccc([C@@H](CNc2cn[nH]c(=O)c2Cl)[NH+](C)C)cc1 ZINC000897526082 1104962932 /nfs/dbraw/zinc/96/29/32/1104962932.db2.gz YCCYOVOQRLWDEX-CQSZACIVSA-N 1 0 335.839 2.616 20 10 EFCDRO [NH3+]C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C1CCCCC1 ZINC000841831743 1105272612 /nfs/dbraw/zinc/27/26/12/1105272612.db2.gz DJKKAXJQOXYMFX-IBGZPJMESA-N 1 0 342.487 2.770 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3ccns3)C2)cc1C ZINC000988919220 1105379681 /nfs/dbraw/zinc/37/96/81/1105379681.db2.gz WQAFXVAIKQVZNM-ZFWWWQNUSA-N 1 0 345.468 2.853 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](Cc3nc(C)no3)C2)c1 ZINC000897579304 1105776574 /nfs/dbraw/zinc/77/65/74/1105776574.db2.gz TUMILTHGMFUDHV-AWEZNQCLSA-N 1 0 331.416 2.937 20 10 EFCDRO C[C@@H](C[NH3+])CNC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000841963255 1106053270 /nfs/dbraw/zinc/05/32/70/1106053270.db2.gz QEZDVJBYEHHRNR-HNNXBMFYSA-N 1 0 344.459 2.652 20 10 EFCDRO CC[NH+](CC)CC1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841962423 1106054743 /nfs/dbraw/zinc/05/47/43/1106054743.db2.gz PBLXWERQDQCOSR-UHFFFAOYSA-N 1 0 332.492 2.575 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000841980842 1106075963 /nfs/dbraw/zinc/07/59/63/1106075963.db2.gz IETMPLQLLPZLQY-IRXDYDNUSA-N 1 0 332.492 2.943 20 10 EFCDRO C[C@H]1C[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)CC[NH2+]1 ZINC000841985671 1106095366 /nfs/dbraw/zinc/09/53/66/1106095366.db2.gz KJDMAPROFJYWOW-GOEBONIOSA-N 1 0 343.427 2.838 20 10 EFCDRO C[C@@H]1C[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC[NH2+]1 ZINC000841983921 1106098149 /nfs/dbraw/zinc/09/81/49/1106098149.db2.gz GIPMXMOGIZVELC-GDBMZVCRSA-N 1 0 330.476 2.567 20 10 EFCDRO COC(=O)C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)(C)C ZINC000897886620 1106131049 /nfs/dbraw/zinc/13/10/49/1106131049.db2.gz HNHDJPZQKSTEAH-GOSISDBHSA-N 1 0 348.487 2.715 20 10 EFCDRO C[C@@H](CCCC[NH3+])NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841995720 1106137865 /nfs/dbraw/zinc/13/78/65/1106137865.db2.gz OZSVYYDJJIUHRP-HNNXBMFYSA-N 1 0 332.492 2.944 20 10 EFCDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000897969243 1106170980 /nfs/dbraw/zinc/17/09/80/1106170980.db2.gz HFHMKQCSPJJQGI-HNNXBMFYSA-N 1 0 329.419 2.778 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)Cc3ccco3)C2)cc1C ZINC000989582306 1106455553 /nfs/dbraw/zinc/45/55/53/1106455553.db2.gz HUKNHFXWFIANDD-DOTOQJQBSA-N 1 0 342.439 2.918 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3nccs3)C2)cc1C ZINC000989602449 1106471675 /nfs/dbraw/zinc/47/16/75/1106471675.db2.gz UELDILYESCPKGK-DZGCQCFKSA-N 1 0 345.468 2.853 20 10 EFCDRO C[C@H](F)CC[N@@H+]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000989767944 1106633209 /nfs/dbraw/zinc/63/32/09/1106633209.db2.gz QIXNDVHKOSMMQB-ZDUSSCGKSA-N 1 0 349.410 2.745 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]CC2CCC2)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000989839425 1106690996 /nfs/dbraw/zinc/69/09/96/1106690996.db2.gz YXZVCOJAYNSFBM-MLGOLLRUSA-N 1 0 343.431 2.842 20 10 EFCDRO CC(C)C[NH2+]CC1(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001168419835 1106946411 /nfs/dbraw/zinc/94/64/11/1106946411.db2.gz WTBRAOFLOIWMID-UHFFFAOYSA-N 1 0 345.447 2.995 20 10 EFCDRO Cc1cc(Br)cc(CN(C)C[C@H]2CCC[N@@H+]2C)c1O ZINC000160970389 1106948711 /nfs/dbraw/zinc/94/87/11/1106948711.db2.gz UCFQDWCPFYHQFW-CQSZACIVSA-N 1 0 327.266 2.989 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3cccn3C)CC2)cc1C ZINC000989956875 1107055135 /nfs/dbraw/zinc/05/51/35/1107055135.db2.gz POBPMDKZDHLRAS-UHFFFAOYSA-N 1 0 341.455 2.737 20 10 EFCDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2cccc(OC)c2O)o1 ZINC000729859349 1107840507 /nfs/dbraw/zinc/84/05/07/1107840507.db2.gz QGPRVFUJTSRFGW-UHFFFAOYSA-N 1 0 332.400 2.766 20 10 EFCDRO CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(O)ccc1O ZINC001272385887 1108149464 /nfs/dbraw/zinc/14/94/64/1108149464.db2.gz GUYKPRFZGJHADR-LJQANCHMSA-N 1 0 332.444 2.855 20 10 EFCDRO O=C1C[C@]2(CN1C1CCCC1)CCCC[N@H+]2Cc1cc(O)ccc1O ZINC001272386547 1108150332 /nfs/dbraw/zinc/15/03/32/1108150332.db2.gz MURXMNZUAKYXLW-FQEVSTJZSA-N 1 0 344.455 2.997 20 10 EFCDRO CC[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(O)ccc1O ZINC001272387317 1108152200 /nfs/dbraw/zinc/15/22/00/1108152200.db2.gz WNKPBBVJPGHUQQ-LIRRHRJNSA-N 1 0 332.444 2.853 20 10 EFCDRO CC[N@@H+]1CCC[C@@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)CC1 ZINC001272444717 1108331082 /nfs/dbraw/zinc/33/10/82/1108331082.db2.gz FESGUJYZXRQOGL-FQEVSTJZSA-N 1 0 329.488 2.977 20 10 EFCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@](C)(O)C(F)F)cc2F)C[C@H](C)O1 ZINC000905054938 1108363224 /nfs/dbraw/zinc/36/32/24/1108363224.db2.gz LSDLWQYOWSTCPF-JKDFXYPNSA-N 1 0 346.393 2.545 20 10 EFCDRO CCC[NH+]1CCC2(CCN(Cc3ccc(N(C)C)cc3)C2=O)CC1 ZINC001272461598 1108396492 /nfs/dbraw/zinc/39/64/92/1108396492.db2.gz HBMYGEFDLXEEKP-UHFFFAOYSA-N 1 0 329.488 2.977 20 10 EFCDRO O[C@H](C[NH2+]CCCSc1nccs1)CC1(O)CCCCC1 ZINC000905108800 1108409871 /nfs/dbraw/zinc/40/98/71/1108409871.db2.gz BZZXICGGEQLPMJ-ZDUSSCGKSA-N 1 0 330.519 2.661 20 10 EFCDRO CN(C)c1ccc(CN2CC[C@@]3(CCC[N@@H+]3CC3CC3)C2=O)cc1 ZINC001272492436 1108523040 /nfs/dbraw/zinc/52/30/40/1108523040.db2.gz YNZMKHGLHPTDJJ-FQEVSTJZSA-N 1 0 327.472 2.730 20 10 EFCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000176455995 1108600207 /nfs/dbraw/zinc/60/02/07/1108600207.db2.gz BPGUVRWZQPTCJL-CQSZACIVSA-N 1 0 333.476 2.801 20 10 EFCDRO CC[C@H](O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000128165001 1108756102 /nfs/dbraw/zinc/75/61/02/1108756102.db2.gz VKWHNSFKXDQPBH-HIFRSBDPSA-N 1 0 326.868 2.988 20 10 EFCDRO CCOCc1cc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)ccc1OC ZINC000898393629 1108907450 /nfs/dbraw/zinc/90/74/50/1108907450.db2.gz SKMQSVWBTMERBR-UYAOXDASSA-N 1 0 327.424 2.980 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)cc1Cn1cccn1 ZINC000898386813 1108910381 /nfs/dbraw/zinc/91/03/81/1108910381.db2.gz LWJZWEBBGAFPAS-TZIWHRDSSA-N 1 0 349.434 2.688 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cc(F)ccc2O)N(C)C)cc1 ZINC000898449779 1108943075 /nfs/dbraw/zinc/94/30/75/1108943075.db2.gz KFYBWWYZDSDYDR-SFHVURJKSA-N 1 0 331.435 2.990 20 10 EFCDRO C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(=O)OC(C)(C)C ZINC000898448786 1108943261 /nfs/dbraw/zinc/94/32/61/1108943261.db2.gz XDHWTHYXVSPHNI-YOEHRIQHSA-N 1 0 335.492 2.675 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)nc1 ZINC000898448939 1108943354 /nfs/dbraw/zinc/94/33/54/1108943354.db2.gz ZIWOQVZGXCQHMB-LJQANCHMSA-N 1 0 328.460 2.549 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cccc3nccn32)N(C)C)cc1 ZINC000898449340 1108943388 /nfs/dbraw/zinc/94/33/88/1108943388.db2.gz BYQCKBNQIDEKIU-LJQANCHMSA-N 1 0 337.471 2.793 20 10 EFCDRO CC(C)[NH+]1CCC(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000898450874 1108944205 /nfs/dbraw/zinc/94/42/05/1108944205.db2.gz UPJSHLAKZAALGR-FQEVSTJZSA-N 1 0 332.536 2.818 20 10 EFCDRO COC(=O)C(C)(C)CC[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898451292 1108945314 /nfs/dbraw/zinc/94/53/14/1108945314.db2.gz WWNXSWFHLRGEAX-QGZVFWFLSA-N 1 0 335.492 2.534 20 10 EFCDRO CCCn1nccc1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898447766 1108949629 /nfs/dbraw/zinc/94/96/29/1108949629.db2.gz LLIQMJXODCQEIQ-IBGZPJMESA-N 1 0 329.492 2.752 20 10 EFCDRO Brc1cnc2n1C[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000898725712 1109066810 /nfs/dbraw/zinc/06/68/10/1109066810.db2.gz VRQHSGPWTYKDCK-ZDUSSCGKSA-N 1 0 348.244 2.685 20 10 EFCDRO CC(C)N(C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CC1 ZINC000899101275 1109202038 /nfs/dbraw/zinc/20/20/38/1109202038.db2.gz HWQJDZQZKJTZSK-GOSISDBHSA-N 1 0 332.492 2.938 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC2(C3CC3)CC2)[NH+](C)C)cc1 ZINC000899101774 1109202239 /nfs/dbraw/zinc/20/22/39/1109202239.db2.gz MCNQZBJPHXNUEW-QGZVFWFLSA-N 1 0 330.476 2.597 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2ccoc2)[NH+](C)C)cc1 ZINC000899101332 1109202247 /nfs/dbraw/zinc/20/22/47/1109202247.db2.gz IYVZBARNUKXWEN-GOSISDBHSA-N 1 0 344.459 2.790 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H](C3CC3)C2)[NH+](C)C)cc1 ZINC000899101409 1109202366 /nfs/dbraw/zinc/20/23/66/1109202366.db2.gz HSYSGEBJMRJYKD-PKOBYXMFSA-N 1 0 344.503 2.797 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC(C)(C)C2)[NH+](C)C)cc1 ZINC000899102245 1109202384 /nfs/dbraw/zinc/20/23/84/1109202384.db2.gz OTYLTJZCZJEIMK-KRWDZBQOSA-N 1 0 332.492 2.797 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)N2C3CCC2CC3)[NH+](C)C)cc1 ZINC000899103033 1109202832 /nfs/dbraw/zinc/20/28/32/1109202832.db2.gz VGVXGSIGXSLKSD-ABHNRTSZSA-N 1 0 330.476 2.692 20 10 EFCDRO C[C@@H]1C[C@H](C)N(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899102768 1109202887 /nfs/dbraw/zinc/20/28/87/1109202887.db2.gz RMPKNBBORFVLPK-VKJFTORMSA-N 1 0 332.492 2.795 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC=C(F)C2)[NH+](C)C)cc1 ZINC000899103932 1109203038 /nfs/dbraw/zinc/20/30/38/1109203038.db2.gz PKVZODNWSAEHRD-KRWDZBQOSA-N 1 0 334.439 2.624 20 10 EFCDRO CCCN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CC1 ZINC000899105197 1109203970 /nfs/dbraw/zinc/20/39/70/1109203970.db2.gz VFDUIDYVNABPPU-GOSISDBHSA-N 1 0 332.492 2.939 20 10 EFCDRO C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@H]1C ZINC000899100496 1109208335 /nfs/dbraw/zinc/20/83/35/1109208335.db2.gz AGHQPJBZKZVJNE-RKVPGOIHSA-N 1 0 332.492 2.653 20 10 EFCDRO COc1ccnc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000924752029 1109241093 /nfs/dbraw/zinc/24/10/93/1109241093.db2.gz MWGZXASTDAFSAG-OAHLLOKOSA-N 1 0 327.428 2.778 20 10 EFCDRO COc1ccnc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000924752025 1109241162 /nfs/dbraw/zinc/24/11/62/1109241162.db2.gz MWGZXASTDAFSAG-HNNXBMFYSA-N 1 0 327.428 2.778 20 10 EFCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCCSc1nccs1 ZINC000153145649 1111131359 /nfs/dbraw/zinc/13/13/59/1111131359.db2.gz OLLPRVZWTKWJKH-GFCCVEGCSA-N 1 0 330.523 2.655 20 10 EFCDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000176577062 1111342458 /nfs/dbraw/zinc/34/24/58/1111342458.db2.gz AMDJHZWSWGHCHH-CVEARBPZSA-N 1 0 345.487 2.943 20 10 EFCDRO Cc1cc(Br)cc(CN2CCC[C@]23CC[NH2+]C3)c1O ZINC001235110172 1111632918 /nfs/dbraw/zinc/63/29/18/1111632918.db2.gz JCGMFKPWGCNPTK-OAHLLOKOSA-N 1 0 325.250 2.791 20 10 EFCDRO O=C1N(CCC(F)(F)F)CC[C@]12CCC[N@H+]2Cc1ccccc1O ZINC001272618447 1111752836 /nfs/dbraw/zinc/75/28/36/1111752836.db2.gz IEFIDIGFPGVUEM-MRXNPFEDSA-N 1 0 342.361 2.912 20 10 EFCDRO CCOCCN1CC2(CCC1=O)CC[NH+](Cc1ccccc1O)CC2 ZINC001272618425 1111752904 /nfs/dbraw/zinc/75/29/04/1111752904.db2.gz HJEJKMNGKQWJSK-UHFFFAOYSA-N 1 0 346.471 2.633 20 10 EFCDRO CC(=O)[C@H](C)N1CC2(CCC1=O)CC[NH+](Cc1ccccc1O)CC2 ZINC001272618436 1111753159 /nfs/dbraw/zinc/75/31/59/1111753159.db2.gz HTKZFAPRFHJPGQ-HNNXBMFYSA-N 1 0 344.455 2.574 20 10 EFCDRO CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@H+](Cc3ccccc3O)CC2)C1=O ZINC001272619745 1111755598 /nfs/dbraw/zinc/75/55/98/1111755598.db2.gz ZAZWOIRPLFRDGZ-YWZLYKJASA-N 1 0 344.455 2.574 20 10 EFCDRO O=C1C[C@]2(CCC[N@@H+](Cc3ccccc3O)C2)C(=O)N1C1CCCC1 ZINC001272619432 1111755761 /nfs/dbraw/zinc/75/57/61/1111755761.db2.gz VRQSBLRMIVTGIW-FQEVSTJZSA-N 1 0 342.439 2.676 20 10 EFCDRO O=C1C[C@@]2(CN1Cc1cnoc1)CCCC[N@H+]2Cc1ccccc1O ZINC001272619821 1111755812 /nfs/dbraw/zinc/75/58/12/1111755812.db2.gz ZSWJZGZXMWNWSF-LJQANCHMSA-N 1 0 341.411 2.537 20 10 EFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(CCN(CC(F)(F)F)C3=O)C2)c1 ZINC001272622482 1111759468 /nfs/dbraw/zinc/75/94/68/1111759468.db2.gz LEXFBIXCYTVAIZ-INIZCTEOSA-N 1 0 342.361 2.687 20 10 EFCDRO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(OC)c1O ZINC001272622510 1111759593 /nfs/dbraw/zinc/75/95/93/1111759593.db2.gz MIPSKGJVYIZQOY-NUEKZKHPSA-N 1 0 332.444 2.765 20 10 EFCDRO CCCCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(C)ccc1O)C2 ZINC001272622570 1111759651 /nfs/dbraw/zinc/75/96/51/1111759651.db2.gz NTODGDLRZHUAGS-HXUWFJFHSA-N 1 0 346.471 2.552 20 10 EFCDRO CCCCN1CC[C@@]2(CC[N@H+](Cc3cccc(OC)c3O)C2)C1=O ZINC001272625086 1111765446 /nfs/dbraw/zinc/76/54/46/1111765446.db2.gz HHTLIUFVZJJGRJ-LJQANCHMSA-N 1 0 332.444 2.625 20 10 EFCDRO COc1cccc(C[NH+]2CCC3(CCN(CC(C)C)C3=O)CC2)c1O ZINC001272625488 1111765467 /nfs/dbraw/zinc/76/54/67/1111765467.db2.gz KYSOYFDXBZLZTA-UHFFFAOYSA-N 1 0 346.471 2.871 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC=C(C)C)c1O ZINC001272625816 1111766712 /nfs/dbraw/zinc/76/67/12/1111766712.db2.gz OOFRCUSFQCYVST-IAGOWNOFSA-N 1 0 344.455 2.932 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(C)C)c(O)c1 ZINC001272626090 1111767466 /nfs/dbraw/zinc/76/74/66/1111767466.db2.gz SJUGIXUFASNNDN-IAGOWNOFSA-N 1 0 332.444 2.622 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@]23CCN(CC=C(C)C)C3=O)c1 ZINC001272637242 1111786217 /nfs/dbraw/zinc/78/62/17/1111786217.db2.gz KRESPNVWGWXWFW-HXUWFJFHSA-N 1 0 344.455 2.934 20 10 EFCDRO CC[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(OC)ccc3O)C2)C1=O ZINC001272637002 1111786383 /nfs/dbraw/zinc/78/63/83/1111786383.db2.gz JBXQNJFYMQDOHZ-IFXJQAMLSA-N 1 0 332.444 2.624 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@]23CCN(C2CCCC2)C3=O)c1 ZINC001272637220 1111786718 /nfs/dbraw/zinc/78/67/18/1111786718.db2.gz KIUNERHAVDHNFH-HXUWFJFHSA-N 1 0 344.455 2.910 20 10 EFCDRO CC[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(O)c(C)c1O)CC2 ZINC001272657816 1111932921 /nfs/dbraw/zinc/93/29/21/1111932921.db2.gz NPPFVIRVLCNNGJ-BBRMVZONSA-N 1 0 346.471 2.923 20 10 EFCDRO CCCCN1CC[C@]2(CC[N@H+](Cc3ccc(O)c(C)c3O)C2)C1=O ZINC001272660392 1111954744 /nfs/dbraw/zinc/95/47/44/1111954744.db2.gz QKFOLCPGWOZVDG-IBGZPJMESA-N 1 0 332.444 2.631 20 10 EFCDRO COc1cccc(C[NH2+]Cc2cc3c(C)nn(C)c3nc2Cl)c1O ZINC000733900752 1111957842 /nfs/dbraw/zinc/95/78/42/1111957842.db2.gz FJNRVKNALNEZNZ-UHFFFAOYSA-N 1 0 346.818 2.934 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC2C[NH+](CC3CCCCC3)C2)cc1 ZINC001031464734 1112107786 /nfs/dbraw/zinc/10/77/86/1112107786.db2.gz YYSYPTNKMKBFOQ-UHFFFAOYSA-N 1 0 343.431 2.843 20 10 EFCDRO Cc1cc(CN(C2CC2)[C@@H]2CC[NH2+]C2)c(O)cc1Br ZINC001236532636 1112960414 /nfs/dbraw/zinc/96/04/14/1112960414.db2.gz DOHGFIXCMDPUFG-CYBMUJFWSA-N 1 0 325.250 2.789 20 10 EFCDRO COc1cc(C[N@H+](C)[C@H]2CCCOC2)c(O)cc1Br ZINC001236751630 1117904213 /nfs/dbraw/zinc/90/42/13/1117904213.db2.gz UWFOFKUFGZMCAI-NSHDSACASA-N 1 0 330.222 2.774 20 10 EFCDRO C[C@@H](CCNC(=O)NCc1ccc(N(C)C)cc1)[NH+]1CCCCC1 ZINC000182450000 1118608471 /nfs/dbraw/zinc/60/84/71/1118608471.db2.gz XMEFEOSLSHTECE-INIZCTEOSA-N 1 0 332.492 2.816 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)cc1Br ZINC001237676139 1118790053 /nfs/dbraw/zinc/79/00/53/1118790053.db2.gz GGAWOHAZVFHNRR-CHWSQXEVSA-N 1 0 332.213 2.758 20 10 EFCDRO C[C@@H]([NH2+]CCNC(=O)c1ccco1)c1cc2c(cc1O)CCCC2 ZINC000184917237 1119618566 /nfs/dbraw/zinc/61/85/66/1119618566.db2.gz GHUBJIFNCLMYEA-CYBMUJFWSA-N 1 0 328.412 2.945 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)NCc2ccccc2)c1 ZINC000185252417 1119935098 /nfs/dbraw/zinc/93/50/98/1119935098.db2.gz QQYBULURRDUHGP-CQSZACIVSA-N 1 0 328.412 2.758 20 10 EFCDRO CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001107056967 1120165095 /nfs/dbraw/zinc/16/50/95/1120165095.db2.gz FWHUBDXOLYZSIU-TZMCWYRMSA-N 1 0 331.420 2.557 20 10 EFCDRO Oc1c(CNc2ncc3c(n2)C[NH2+]CC3)cc(Cl)c2cccnc12 ZINC001168528287 1120207529 /nfs/dbraw/zinc/20/75/29/1120207529.db2.gz SEXKTZKGHGRIRO-UHFFFAOYSA-N 1 0 341.802 2.642 20 10 EFCDRO C[C@@H]1C[N@H+](CCCF)CC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945219921 1120678672 /nfs/dbraw/zinc/67/86/72/1120678672.db2.gz DQRCOSKGIJEBOW-DOMZBBRYSA-N 1 0 349.410 2.649 20 10 EFCDRO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC000945220656 1120679400 /nfs/dbraw/zinc/67/94/00/1120679400.db2.gz HEIMESJQLDPBKR-IUODEOHRSA-N 1 0 331.420 2.698 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000298697279 282288787 /nfs/dbraw/zinc/28/87/87/282288787.db2.gz CVDJLDQFOJZEOX-ROUUACIJSA-N 1 0 330.476 2.521 20 10 EFCDRO CC[C@@H]([NH2+]C[C@@H]1COCCO1)c1cc(Br)ccc1O ZINC000038060457 213199887 /nfs/dbraw/zinc/19/98/87/213199887.db2.gz ATCWMASNWQFXQG-DGCLKSJQSA-N 1 0 330.222 2.611 20 10 EFCDRO CC[NH2+][C@H](C)CNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000262504673 240357031 /nfs/dbraw/zinc/35/70/31/240357031.db2.gz ZLYMJNONADNBHH-CYBMUJFWSA-N 1 0 329.444 2.831 20 10 EFCDRO Cc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(O)c1O ZINC000177677657 239387996 /nfs/dbraw/zinc/38/79/96/239387996.db2.gz OVAYJKKNCAKXTL-MRXNPFEDSA-N 1 0 346.471 2.990 20 10 EFCDRO O=C1C[C@@H](C[NH2+]Cc2cc(F)ccc2O)CN1Cc1ccccc1 ZINC000180896340 239504675 /nfs/dbraw/zinc/50/46/75/239504675.db2.gz LTTPHJHZZRLWDG-HNNXBMFYSA-N 1 0 328.387 2.670 20 10 EFCDRO C[NH+](C)CCCC1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000181297643 239510984 /nfs/dbraw/zinc/51/09/84/239510984.db2.gz KPRMQUNGAGKSNE-SOFGYWHQSA-N 1 0 332.444 2.691 20 10 EFCDRO Cc1cc(C(=O)NCC2(C)CC[NH2+]CC2)c(C)n1-c1ccccn1 ZINC000183361467 239549559 /nfs/dbraw/zinc/54/95/59/239549559.db2.gz LSCDSADHAPPTOB-UHFFFAOYSA-N 1 0 326.444 2.609 20 10 EFCDRO CN(C(=O)c1cccc(O)c1O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000193118276 240086057 /nfs/dbraw/zinc/08/60/57/240086057.db2.gz AWAMQRGMUXOSJP-MRXNPFEDSA-N 1 0 340.423 2.834 20 10 EFCDRO O=C(c1cccc(O)c1O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000193145501 240088592 /nfs/dbraw/zinc/08/85/92/240088592.db2.gz JZTQUUYHTDAJKA-UHFFFAOYSA-N 1 0 332.444 2.826 20 10 EFCDRO C[C@@H]([NH3+])CCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000193320974 240094965 /nfs/dbraw/zinc/09/49/65/240094965.db2.gz GUKKSBGBYUDQIM-CHWSQXEVSA-N 1 0 341.402 2.500 20 10 EFCDRO O=C(NCc1c(O)ccc2c1CCCC2)C1CC[NH+](C2CC2)CC1 ZINC000194776592 240177014 /nfs/dbraw/zinc/17/70/14/240177014.db2.gz DCXVEXAWXKKQEE-UHFFFAOYSA-N 1 0 328.456 2.762 20 10 EFCDRO Oc1cc2c(cc1C[NH2+]C[C@@H](c1ccco1)N1CCCC1)OCO2 ZINC000238130236 240251000 /nfs/dbraw/zinc/25/10/00/240251000.db2.gz SZMOTXYWMQZLNK-AWEZNQCLSA-N 1 0 330.384 2.641 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000195171723 240209097 /nfs/dbraw/zinc/20/90/97/240209097.db2.gz YHBKWECEJVKZOM-NEWSRXKRSA-N 1 0 327.472 2.824 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000195171783 240209114 /nfs/dbraw/zinc/20/91/14/240209114.db2.gz FHKUWORZWYOKNN-HXUWFJFHSA-N 1 0 335.451 2.618 20 10 EFCDRO Oc1cc2c(cc1C[NH2+]CCCn1cnc3ccccc31)OCO2 ZINC000238126853 240250621 /nfs/dbraw/zinc/25/06/21/240250621.db2.gz ISHGPCSHWZDIMO-UHFFFAOYSA-N 1 0 325.368 2.651 20 10 EFCDRO [O-]c1c(Br)cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252667241 240308487 /nfs/dbraw/zinc/30/84/87/240308487.db2.gz HKDGIJYNKBDKLU-STQMWFEESA-N 1 0 325.250 2.871 20 10 EFCDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000246427858 240267772 /nfs/dbraw/zinc/26/77/72/240267772.db2.gz WESNORQJALDELC-CRAIPNDOSA-N 1 0 344.503 2.551 20 10 EFCDRO C[C@H]1CCCN(C(=O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000255830828 240311122 /nfs/dbraw/zinc/31/11/22/240311122.db2.gz DGCBYPQYMGJHLO-FUHWJXTLSA-N 1 0 346.471 2.632 20 10 EFCDRO Cc1ccc([C@H](CNC(=O)NCc2ccccc2O)[NH+]2CCCC2)o1 ZINC000263691538 240389189 /nfs/dbraw/zinc/38/91/89/240389189.db2.gz MRJAEZLBYVMHDP-INIZCTEOSA-N 1 0 343.427 2.930 20 10 EFCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000263724828 240389312 /nfs/dbraw/zinc/38/93/12/240389312.db2.gz WXMSVDHVYPTOFA-ZIAGYGMSSA-N 1 0 325.250 2.871 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c(O)c1 ZINC000269914018 240580053 /nfs/dbraw/zinc/58/00/53/240580053.db2.gz IXHKLLVJKQYZLN-MJGOQNOKSA-N 1 0 345.439 2.755 20 10 EFCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc([S@@](C)=O)cc1 ZINC000270072306 240585557 /nfs/dbraw/zinc/58/55/57/240585557.db2.gz IDYLCTOKMKSJQC-QVQLBTGDSA-N 1 0 333.409 2.709 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000278209679 240798421 /nfs/dbraw/zinc/79/84/21/240798421.db2.gz QXPVPMMXSBSNIM-UHFFFAOYSA-N 1 0 344.503 2.768 20 10 EFCDRO C[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(N(C)C)cc1 ZINC000277106516 240774925 /nfs/dbraw/zinc/77/49/25/240774925.db2.gz MBIDRWUYUJVZFW-OAHLLOKOSA-N 1 0 325.460 2.862 20 10 EFCDRO COc1ccc(C[C@](C)(O)C[NH2+]Cc2cc(F)ccc2O)cc1OC ZINC000290905533 241020999 /nfs/dbraw/zinc/02/09/99/241020999.db2.gz MNMXGPOHBYVMLF-IBGZPJMESA-N 1 0 349.402 2.632 20 10 EFCDRO Cc1cc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)c(C)n1-c1ccccn1 ZINC000290941111 241024134 /nfs/dbraw/zinc/02/41/34/241024134.db2.gz OLOAOTFAUQCMBJ-CQSZACIVSA-N 1 0 328.460 2.948 20 10 EFCDRO O=S(=O)(CCC[NH2+][C@@H]1CCc2cccc(O)c21)Cc1ccccc1 ZINC000296033911 241072295 /nfs/dbraw/zinc/07/22/95/241072295.db2.gz QHTXJGRNQNIYDP-QGZVFWFLSA-N 1 0 345.464 2.974 20 10 EFCDRO COCCOC1(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CCOCC1 ZINC000296413769 241085322 /nfs/dbraw/zinc/08/53/22/241085322.db2.gz LBCWZSGKOAGOCR-MRXNPFEDSA-N 1 0 336.476 2.615 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC(=O)NC2CC2)cc1 ZINC000296682918 241094621 /nfs/dbraw/zinc/09/46/21/241094621.db2.gz INFFTLVSEVXISQ-UHFFFAOYSA-N 1 0 329.469 2.753 20 10 EFCDRO O=C(NCC[NH2+][C@@H]1CCc2cccc(O)c21)c1c(F)cccc1F ZINC000296659160 241095072 /nfs/dbraw/zinc/09/50/72/241095072.db2.gz FBYHUZAWRDMOCO-CQSZACIVSA-N 1 0 332.350 2.677 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[NH+]2CC(CC(N)=O)C2)cc1 ZINC000297286045 241118278 /nfs/dbraw/zinc/11/82/78/241118278.db2.gz AJVQXTRDAAJUOK-UHFFFAOYSA-N 1 0 329.469 2.692 20 10 EFCDRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2Cc2ccc(N(C)C)c(C)c2)O1 ZINC000294307826 241041261 /nfs/dbraw/zinc/04/12/61/241041261.db2.gz XHAHCNZEMULSNW-AXUOBQJMSA-N 1 0 346.471 2.744 20 10 EFCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCc4cccc(O)c43)cn2)CCO1 ZINC000295872365 241065351 /nfs/dbraw/zinc/06/53/51/241065351.db2.gz HEXMUFRCAIYTOG-RHSMWYFYSA-N 1 0 339.439 2.789 20 10 EFCDRO CC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000298692776 241155645 /nfs/dbraw/zinc/15/56/45/241155645.db2.gz ZOARWDZQIQIWLR-GOSISDBHSA-N 1 0 347.503 2.648 20 10 EFCDRO Cc1cc(NC(=O)C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)n(C)n1 ZINC000298727246 241159181 /nfs/dbraw/zinc/15/91/81/241159181.db2.gz QUWLFTLVAOIWOS-UHFFFAOYSA-N 1 0 343.475 2.644 20 10 EFCDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)n1-c1ccccn1 ZINC000299022347 241163329 /nfs/dbraw/zinc/16/33/29/241163329.db2.gz MDGRMMZBEIEXAV-ROUUACIJSA-N 1 0 338.455 2.846 20 10 EFCDRO C[NH+](C)[C@H](CNC(=O)NCc1ccccc1O)c1cccc(F)c1 ZINC000299549830 241180688 /nfs/dbraw/zinc/18/06/88/241180688.db2.gz XJIDSXNRSDDAJL-MRXNPFEDSA-N 1 0 331.391 2.633 20 10 EFCDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1O)c1cccc(F)c1 ZINC000299549827 241180896 /nfs/dbraw/zinc/18/08/96/241180896.db2.gz XJIDSXNRSDDAJL-INIZCTEOSA-N 1 0 331.391 2.633 20 10 EFCDRO COc1ccnc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000301209676 241184699 /nfs/dbraw/zinc/18/46/99/241184699.db2.gz SYMXBAWRVMYEBA-CQSZACIVSA-N 1 0 348.834 2.921 20 10 EFCDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)CF)C1 ZINC000360607869 242203527 /nfs/dbraw/zinc/20/35/27/242203527.db2.gz PSNKPOPBIGRTQL-CQSZACIVSA-N 1 0 331.435 2.882 20 10 EFCDRO COC(=O)c1ccc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)[nH]1 ZINC000360723651 242209169 /nfs/dbraw/zinc/20/91/69/242209169.db2.gz YVCLXGCZPBUXGW-UHFFFAOYSA-N 1 0 343.427 2.522 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc(Cl)ccc1O ZINC000363853276 242283180 /nfs/dbraw/zinc/28/31/80/242283180.db2.gz KHDKHBVTCATUQX-IAQYHMDHSA-N 1 0 335.835 2.963 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)c(O)c1C ZINC000363860431 242283418 /nfs/dbraw/zinc/28/34/18/242283418.db2.gz URJSCYDVROZVIR-RHSMWYFYSA-N 1 0 329.444 2.926 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)c(O)c1C ZINC000363860429 242284419 /nfs/dbraw/zinc/28/44/19/242284419.db2.gz URJSCYDVROZVIR-PBHICJAKSA-N 1 0 329.444 2.926 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@](C)(O)CC2)c1O ZINC000366245982 242347495 /nfs/dbraw/zinc/34/74/95/242347495.db2.gz ITXSUOULBHVUCY-OAHLLOKOSA-N 1 0 344.249 2.900 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1O ZINC000367684550 242387468 /nfs/dbraw/zinc/38/74/68/242387468.db2.gz IGDVXKORIRVCKX-FQEVSTJZSA-N 1 0 345.414 2.967 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1O ZINC000367684552 242388736 /nfs/dbraw/zinc/38/87/36/242388736.db2.gz IGDVXKORIRVCKX-HXUWFJFHSA-N 1 0 345.414 2.967 20 10 EFCDRO OC[C@H]1[C@@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3O)C[C@H]12 ZINC000367842023 242394783 /nfs/dbraw/zinc/39/47/83/242394783.db2.gz WLQVVSAJJUNKIN-BWTSREIZSA-N 1 0 325.408 2.641 20 10 EFCDRO C[C@@H]([NH2+]CCCN1CCC(O)CC1)c1cc2c(cc1O)CCCC2 ZINC000185116304 296122585 /nfs/dbraw/zinc/12/25/85/296122585.db2.gz NXLDKQILWABFAN-OAHLLOKOSA-N 1 0 332.488 2.768 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298770888 285100648 /nfs/dbraw/zinc/10/06/48/285100648.db2.gz XHXHHONGRMLXLH-MOPGFXCFSA-N 1 0 344.503 2.911 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cccc(F)c2)[NH+](C)C)cc1 ZINC000005097720 210389861 /nfs/dbraw/zinc/38/98/61/210389861.db2.gz AVRODSLYSRIMAQ-GOSISDBHSA-N 1 0 329.419 2.924 20 10 EFCDRO COCCOC[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177350839 533134686 /nfs/dbraw/zinc/13/46/86/533134686.db2.gz SJVFIXAHNKMVEC-ZDUSSCGKSA-N 1 0 341.835 2.733 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C[NH3+])C3CC3)c2C)cc1 ZINC000159220759 533209940 /nfs/dbraw/zinc/20/99/40/533209940.db2.gz MYNQSKXDIZTZSO-SFHVURJKSA-N 1 0 327.428 2.570 20 10 EFCDRO COc1ccc2c(c1)C[N@@H+](Cc1cc(OC)c(OC)cc1O)CC2 ZINC000159930708 533261199 /nfs/dbraw/zinc/26/11/99/533261199.db2.gz IMRUWJADRMNSJM-UHFFFAOYSA-N 1 0 329.396 2.976 20 10 EFCDRO COc1cccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000172536802 533474654 /nfs/dbraw/zinc/47/46/54/533474654.db2.gz ITUUQCIXJKRMKT-QGZVFWFLSA-N 1 0 328.412 2.977 20 10 EFCDRO COc1cccc(CNC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1O ZINC000073867226 533500817 /nfs/dbraw/zinc/50/08/17/533500817.db2.gz LBSSIBXZIXDOMT-SOUVJXGZSA-N 1 0 349.475 2.566 20 10 EFCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cnn(C)c1 ZINC000163944592 533534615 /nfs/dbraw/zinc/53/46/15/533534615.db2.gz JQRKEGUUPPKJIC-ZIAGYGMSSA-N 1 0 332.423 2.808 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=S)NCCC[NH+](C)C ZINC000007404447 135680341 /nfs/dbraw/zinc/68/03/41/135680341.db2.gz VCGQVUAUONNFMO-UHFFFAOYSA-N 1 0 348.560 2.935 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1O ZINC000184702024 286223141 /nfs/dbraw/zinc/22/31/41/286223141.db2.gz BIYCNVYVYRWWBE-GXTWGEPZSA-N 1 0 329.849 2.761 20 10 EFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000126929131 544627798 /nfs/dbraw/zinc/62/77/98/544627798.db2.gz RKIWLTLROJCYND-LJQANCHMSA-N 1 0 342.487 2.736 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CC2(C(N)=O)CCCC2)c(C(F)(F)F)c1 ZINC000280382728 276802358 /nfs/dbraw/zinc/80/23/58/276802358.db2.gz UKLZETUFJUIFEA-UHFFFAOYSA-N 1 0 343.393 2.907 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)c1 ZINC000273419889 301654938 /nfs/dbraw/zinc/65/49/38/301654938.db2.gz JFAXURAOVWNUGO-NHYWBVRUSA-N 1 0 343.349 2.535 20 10 EFCDRO C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000158684881 533697305 /nfs/dbraw/zinc/69/73/05/533697305.db2.gz NXDHVBOVTASROD-HNNXBMFYSA-N 1 0 346.450 2.552 20 10 EFCDRO Cc1cc(Cl)cc(C[NH2+][C@@]2(CO)COc3ccccc3C2)c1O ZINC000529642172 316937548 /nfs/dbraw/zinc/93/75/48/316937548.db2.gz GBPIUBUXBAFKGT-SFHVURJKSA-N 1 0 333.815 2.810 20 10 EFCDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cccc(OC)c1O ZINC000190426279 473269434 /nfs/dbraw/zinc/26/94/34/473269434.db2.gz QEYFAHGAYSLWTQ-YOEHRIQHSA-N 1 0 331.416 2.627 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000184912653 473271758 /nfs/dbraw/zinc/27/17/58/473271758.db2.gz MMNMIDDRBBPZII-KFWWJZLASA-N 1 0 336.476 2.939 20 10 EFCDRO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185028609 473305962 /nfs/dbraw/zinc/30/59/62/473305962.db2.gz FDNFLOTZUKQSPM-VXGBXAGGSA-N 1 0 343.265 2.526 20 10 EFCDRO C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185110320 473332033 /nfs/dbraw/zinc/33/20/33/473332033.db2.gz NLOHBYCVKOUSDY-MNOVXSKESA-N 1 0 341.249 2.816 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1 ZINC000185140618 473340416 /nfs/dbraw/zinc/34/04/16/473340416.db2.gz HIADCLPWKMNVJM-YJBOKZPZSA-N 1 0 336.501 2.559 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)c(O)c1 ZINC000185141068 473341211 /nfs/dbraw/zinc/34/12/11/473341211.db2.gz DCYREARORHVXGU-CRAIPNDOSA-N 1 0 336.501 2.559 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000185164352 473348249 /nfs/dbraw/zinc/34/82/49/473348249.db2.gz LHUSUFSQHUVJQB-KBPBESRZSA-N 1 0 326.396 2.857 20 10 EFCDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000185181228 473354037 /nfs/dbraw/zinc/35/40/37/473354037.db2.gz DARNXMDMWRXSKL-AWEZNQCLSA-N 1 0 328.412 2.676 20 10 EFCDRO C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cc(F)ccc1O ZINC000185263766 473380337 /nfs/dbraw/zinc/38/03/37/473380337.db2.gz ODHNQMVSENMXPM-LBPRGKRZSA-N 1 0 337.416 2.927 20 10 EFCDRO Cn1cncc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000113359169 473387227 /nfs/dbraw/zinc/38/72/27/473387227.db2.gz HFAAWEGINJYSEC-OAHLLOKOSA-N 1 0 334.851 2.533 20 10 EFCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000067010462 471981945 /nfs/dbraw/zinc/98/19/45/471981945.db2.gz BYUQGDVHFZAGMF-CQSZACIVSA-N 1 0 347.484 2.512 20 10 EFCDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000085400857 472243048 /nfs/dbraw/zinc/24/30/48/472243048.db2.gz WESNORQJALDELC-YJBOKZPZSA-N 1 0 344.503 2.551 20 10 EFCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000076074151 472261759 /nfs/dbraw/zinc/26/17/59/472261759.db2.gz KGQWHNJAXABYID-QGZVFWFLSA-N 1 0 342.443 2.533 20 10 EFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)c1cccc(F)c1 ZINC000069518825 472361950 /nfs/dbraw/zinc/36/19/50/472361950.db2.gz MOQYVRCDXCRTDK-FQEVSTJZSA-N 1 0 344.430 2.828 20 10 EFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)c1ccccc1F ZINC000076549229 472365860 /nfs/dbraw/zinc/36/58/60/472365860.db2.gz LQRAHAQTIRYEIG-HXUWFJFHSA-N 1 0 344.430 2.828 20 10 EFCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000088511007 472369108 /nfs/dbraw/zinc/36/91/08/472369108.db2.gz DBWYHZSAHFRXGF-OAHLLOKOSA-N 1 0 332.350 2.908 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000031726726 472390208 /nfs/dbraw/zinc/39/02/08/472390208.db2.gz NZILPBDNKBNYBX-IBGZPJMESA-N 1 0 340.471 2.855 20 10 EFCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2ccccc2O)c1 ZINC000154158413 472396412 /nfs/dbraw/zinc/39/64/12/472396412.db2.gz RIIZTITVZZQTHJ-QWHCGFSZSA-N 1 0 334.441 2.712 20 10 EFCDRO C[C@H]1CCCN(C(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000096970980 472402895 /nfs/dbraw/zinc/40/28/95/472402895.db2.gz DGCBYPQYMGJHLO-WMZOPIPTSA-N 1 0 346.471 2.632 20 10 EFCDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000069784613 472432557 /nfs/dbraw/zinc/43/25/57/472432557.db2.gz UNXCGLOFWVJSGG-QGZVFWFLSA-N 1 0 344.503 2.600 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000154900063 472484226 /nfs/dbraw/zinc/48/42/26/472484226.db2.gz HZKWWHSZDZCXDE-AWEZNQCLSA-N 1 0 336.432 2.890 20 10 EFCDRO COc1ccc(CCNC(=[NH2+])NCc2ccc(N(C)C)cc2)cc1 ZINC000057887536 472489530 /nfs/dbraw/zinc/48/95/30/472489530.db2.gz GEBRURNEWKBKKZ-UHFFFAOYSA-N 1 0 326.444 2.618 20 10 EFCDRO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000118533862 472497539 /nfs/dbraw/zinc/49/75/39/472497539.db2.gz RUVCCAXCIAVGAT-CABCVRRESA-N 1 0 335.517 2.537 20 10 EFCDRO C[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc(N(C)C)cc1 ZINC000155044460 472501093 /nfs/dbraw/zinc/50/10/93/472501093.db2.gz LYHQSLGFIZZLCS-HNNXBMFYSA-N 1 0 341.455 2.929 20 10 EFCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c1O ZINC000090003494 472579363 /nfs/dbraw/zinc/57/93/63/472579363.db2.gz ZHXLMYMVHSHJNH-AWEZNQCLSA-N 1 0 345.418 2.922 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1F ZINC000119836455 472588939 /nfs/dbraw/zinc/58/89/39/472588939.db2.gz ANOBHWWUYFVNHB-HNNXBMFYSA-N 1 0 343.450 2.809 20 10 EFCDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC000130247468 472592105 /nfs/dbraw/zinc/59/21/05/472592105.db2.gz SMNYQLQICGFVFX-JKSUJKDBSA-N 1 0 325.836 2.798 20 10 EFCDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(N(C)C)c(F)c1)CC2 ZINC000130231934 472592387 /nfs/dbraw/zinc/59/23/87/472592387.db2.gz SFKYQHQHPNJOHU-ROUUACIJSA-N 1 0 336.451 2.644 20 10 EFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(COC)nn3C2)cc1 ZINC000090396549 472613613 /nfs/dbraw/zinc/61/36/13/472613613.db2.gz GFJLNLKJWQUFBX-GOEBONIOSA-N 1 0 343.475 2.546 20 10 EFCDRO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)N(C)C1CC1 ZINC000131146033 472652080 /nfs/dbraw/zinc/65/20/80/472652080.db2.gz MLYVKAKRHMZYES-HUUCEWRRSA-N 1 0 335.467 2.796 20 10 EFCDRO C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000120252258 472657490 /nfs/dbraw/zinc/65/74/90/472657490.db2.gz IUJYIBRHCXNUPB-ZOBUZTSGSA-N 1 0 336.451 2.864 20 10 EFCDRO COc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)ccn1 ZINC000131674475 472685798 /nfs/dbraw/zinc/68/57/98/472685798.db2.gz IFRYMHJFWNCWDK-OAHLLOKOSA-N 1 0 327.428 2.778 20 10 EFCDRO C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000131969138 472704882 /nfs/dbraw/zinc/70/48/82/472704882.db2.gz XLIHVVIOIFUIBA-LAUBAEHRSA-N 1 0 340.467 2.777 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC000132606748 472744149 /nfs/dbraw/zinc/74/41/49/472744149.db2.gz XYGCVSFXUNQGTN-QGZVFWFLSA-N 1 0 347.503 2.647 20 10 EFCDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(C)n1-c1ccccn1 ZINC000105319011 472744494 /nfs/dbraw/zinc/74/44/94/472744494.db2.gz JBTMBMYGNJQRQS-MRXNPFEDSA-N 1 0 338.455 2.703 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1C ZINC000047771260 472764599 /nfs/dbraw/zinc/76/45/99/472764599.db2.gz VTOKFLKWVQSFNN-UHFFFAOYSA-N 1 0 348.468 2.544 20 10 EFCDRO C[NH+](C)C1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CCCC1 ZINC000047835300 472770964 /nfs/dbraw/zinc/77/09/64/472770964.db2.gz DTKXEHPCEJHBLE-UHFFFAOYSA-N 1 0 344.503 2.960 20 10 EFCDRO CC[C@@H]([NH2+]CC[C@@H](O)COC)c1cc(Br)ccc1O ZINC000156986320 472772903 /nfs/dbraw/zinc/77/29/03/472772903.db2.gz KJBKYNWAQMGPNQ-DGCLKSJQSA-N 1 0 332.238 2.593 20 10 EFCDRO COc1cccc(CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1O ZINC000073440819 472812234 /nfs/dbraw/zinc/81/22/34/472812234.db2.gz HBRZMRORJKABHK-MRXNPFEDSA-N 1 0 343.427 2.503 20 10 EFCDRO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000091832624 472813002 /nfs/dbraw/zinc/81/30/02/472813002.db2.gz XXLDYASKMYPRQV-QGZVFWFLSA-N 1 0 342.443 2.594 20 10 EFCDRO COCc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000121293329 472830297 /nfs/dbraw/zinc/83/02/97/472830297.db2.gz VRAJRGSTONFYHC-UHFFFAOYSA-N 1 0 330.428 2.895 20 10 EFCDRO CCC[C@H](C(=O)OCC)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000133695268 472832229 /nfs/dbraw/zinc/83/22/29/472832229.db2.gz ODQDZHUIBPOIHS-GOSISDBHSA-N 1 0 334.460 2.687 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc2c1OCO2 ZINC000121300635 472832429 /nfs/dbraw/zinc/83/24/29/472832429.db2.gz CDRGLPULIJKIDD-UHFFFAOYSA-N 1 0 340.423 2.884 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000079267258 472840233 /nfs/dbraw/zinc/84/02/33/472840233.db2.gz WEJOIMGNWQYSMP-OAHLLOKOSA-N 1 0 333.457 2.898 20 10 EFCDRO COc1cccc(CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1O ZINC000073677286 472851570 /nfs/dbraw/zinc/85/15/70/472851570.db2.gz OXQYBUPOYYJVSJ-HNNXBMFYSA-N 1 0 349.475 2.712 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000134084575 472873328 /nfs/dbraw/zinc/87/33/28/472873328.db2.gz DBRBCGVEYBKQDS-GOSISDBHSA-N 1 0 346.519 2.872 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000073778691 472873918 /nfs/dbraw/zinc/87/39/18/472873918.db2.gz DHZMGTOYHLKTQL-MJGOQNOKSA-N 1 0 344.503 2.911 20 10 EFCDRO C/C=C/C=C/C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106702063 472882589 /nfs/dbraw/zinc/88/25/89/472882589.db2.gz XVQQVQKCBNBXEE-TWTPFVCWSA-N 1 0 331.435 2.716 20 10 EFCDRO CC/C=C(/C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106702634 472882624 /nfs/dbraw/zinc/88/26/24/472882624.db2.gz CCACIVSRPMHBGA-UUASQNMZSA-N 1 0 333.451 2.940 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000092455350 472916224 /nfs/dbraw/zinc/91/62/24/472916224.db2.gz GZXXVEOGBJPVEI-AWEZNQCLSA-N 1 0 336.432 2.890 20 10 EFCDRO C[C@@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)[N@H+](C)C1CC1 ZINC000074100709 472941595 /nfs/dbraw/zinc/94/15/95/472941595.db2.gz NAACSPCXPQHHPR-ZDUSSCGKSA-N 1 0 331.460 2.553 20 10 EFCDRO c1cc2c(c(C[NH2+]Cc3ccc(N4CCOCC4)cc3)c1)OCO2 ZINC000065475942 472951922 /nfs/dbraw/zinc/95/19/22/472951922.db2.gz HDNMDCMVTOWROJ-UHFFFAOYSA-N 1 0 326.396 2.542 20 10 EFCDRO CCCO[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000108394528 473024645 /nfs/dbraw/zinc/02/46/45/473024645.db2.gz GIKYWNODGMZBON-LJQANCHMSA-N 1 0 347.503 2.650 20 10 EFCDRO C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC1CC[NH+](C)CC1 ZINC000093088843 473041336 /nfs/dbraw/zinc/04/13/36/473041336.db2.gz NDVXTNISJVSYNQ-UHFFFAOYSA-N 1 0 327.812 2.727 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000093134427 473048488 /nfs/dbraw/zinc/04/84/88/473048488.db2.gz YRFGLPLMWNEILK-AWEZNQCLSA-N 1 0 342.443 2.708 20 10 EFCDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000066179909 473056197 /nfs/dbraw/zinc/05/61/97/473056197.db2.gz AGXQCEXIAYYGIG-INIZCTEOSA-N 1 0 332.492 2.816 20 10 EFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)c1ccc(F)cc1 ZINC000066350631 473078946 /nfs/dbraw/zinc/07/89/46/473078946.db2.gz OYLUYOTUFNQXBP-HXUWFJFHSA-N 1 0 344.430 2.828 20 10 EFCDRO COc1ccc(N2CCC[N@H+](CC(=O)N3CCCC[C@H]3C)CC2)cc1 ZINC000052466188 473110494 /nfs/dbraw/zinc/11/04/94/473110494.db2.gz YLZMNWICSZIGQZ-QGZVFWFLSA-N 1 0 345.487 2.608 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)cc1 ZINC000093531976 473115878 /nfs/dbraw/zinc/11/58/78/473115878.db2.gz CXXBAOWXXSKGEL-UHFFFAOYSA-N 1 0 329.488 2.977 20 10 EFCDRO NC(=O)c1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000109761907 473120252 /nfs/dbraw/zinc/12/02/52/473120252.db2.gz GKBLMTGUCYYVGL-SFHVURJKSA-N 1 0 340.423 2.672 20 10 EFCDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)cc1OC ZINC000109773006 473121061 /nfs/dbraw/zinc/12/10/61/473121061.db2.gz VAMJEMKRWCVTGA-ZDUSSCGKSA-N 1 0 344.411 2.868 20 10 EFCDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC000093613675 473125720 /nfs/dbraw/zinc/12/57/20/473125720.db2.gz IOUHJWHLHXCWLD-HZPDHXFCSA-N 1 0 325.836 2.798 20 10 EFCDRO CCOc1cccc(C[N@H+](C)CC(C)(C)CN2CCOCC2)c1O ZINC000093769613 473142995 /nfs/dbraw/zinc/14/29/95/473142995.db2.gz BIIKKPAVOOLTPZ-UHFFFAOYSA-N 1 0 336.476 2.581 20 10 EFCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000093813397 473146157 /nfs/dbraw/zinc/14/61/57/473146157.db2.gz TUQXJSWUEPATBD-AWEZNQCLSA-N 1 0 328.206 2.540 20 10 EFCDRO c1cc(N2CCCCC2)ccc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000093817390 473148956 /nfs/dbraw/zinc/14/89/56/473148956.db2.gz JDHFAEYXVIYXEH-FQEVSTJZSA-N 1 0 343.515 2.831 20 10 EFCDRO CCN(CC)C(=O)C1([NH2+]Cc2cc3c(cc2O)OCO3)CCCCC1 ZINC000123607115 473163647 /nfs/dbraw/zinc/16/36/47/473163647.db2.gz FCENCOVCNLXJCH-UHFFFAOYSA-N 1 0 348.443 2.782 20 10 EFCDRO Cc1nn(C)c(C)c1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000111233026 473197969 /nfs/dbraw/zinc/19/79/69/473197969.db2.gz VPZXCNJLNKVCGB-QGZVFWFLSA-N 1 0 329.444 2.924 20 10 EFCDRO CCOc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2O)cc1 ZINC000111236021 473198401 /nfs/dbraw/zinc/19/84/01/473198401.db2.gz UUKIDLKHICFNQS-INIZCTEOSA-N 1 0 331.412 2.663 20 10 EFCDRO C[N@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)Cc1ccccc1O ZINC000111235629 473198572 /nfs/dbraw/zinc/19/85/72/473198572.db2.gz XPBKFYDNICGVOZ-UHFFFAOYSA-N 1 0 349.434 2.890 20 10 EFCDRO CCOc1cccc(C[NH+]2CCN(Cc3csc(C)n3)CC2)c1O ZINC000123943893 473199147 /nfs/dbraw/zinc/19/91/47/473199147.db2.gz LVRBHFXYOASLRU-UHFFFAOYSA-N 1 0 347.484 2.874 20 10 EFCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])N1CC[NH+](C)CC1 ZINC000185365941 473406345 /nfs/dbraw/zinc/40/63/45/473406345.db2.gz GTWDTKVGDYTZFI-NEPJUHHUSA-N 1 0 346.302 2.986 20 10 EFCDRO Cc1cc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c(C)n1-c1ccccn1 ZINC000151103349 473408870 /nfs/dbraw/zinc/40/88/70/473408870.db2.gz KKAQWPPRHRKQIM-MRXNPFEDSA-N 1 0 326.444 2.655 20 10 EFCDRO Cc1cc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)c(C)n1-c1ccccn1 ZINC000151103395 473409434 /nfs/dbraw/zinc/40/94/34/473409434.db2.gz KKAQWPPRHRKQIM-INIZCTEOSA-N 1 0 326.444 2.655 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000151349092 473445758 /nfs/dbraw/zinc/44/57/58/473445758.db2.gz OTZDWALWLVAREU-IEBWSBKVSA-N 1 0 348.512 2.668 20 10 EFCDRO COCCCN(C)CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185553447 473455137 /nfs/dbraw/zinc/45/51/37/473455137.db2.gz GKNYSFLEQOYBNP-LBPRGKRZSA-N 1 0 345.281 2.774 20 10 EFCDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cn1 ZINC000151536678 473470064 /nfs/dbraw/zinc/47/00/64/473470064.db2.gz SMQLPLUMVXQSLT-CQSZACIVSA-N 1 0 346.450 2.854 20 10 EFCDRO COc1cccc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1O ZINC000178190336 473473908 /nfs/dbraw/zinc/47/39/08/473473908.db2.gz FGGVBAJERJVPLD-HNNXBMFYSA-N 1 0 332.444 2.672 20 10 EFCDRO C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1cc(Br)ccc1O ZINC000185638246 473474190 /nfs/dbraw/zinc/47/41/90/473474190.db2.gz IUFCXKIAXLCJPS-NOZJJQNGSA-N 1 0 332.263 2.673 20 10 EFCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)C(=O)N1CCOCC1 ZINC000185665070 473483085 /nfs/dbraw/zinc/48/30/85/473483085.db2.gz QDRBYWMXNUBDTN-KBXCAEBGSA-N 1 0 342.439 2.833 20 10 EFCDRO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])N1CC[NH+](C)CC1 ZINC000191197422 473505068 /nfs/dbraw/zinc/50/50/68/473505068.db2.gz WQKSSYUWGWVBTI-BBRMVZONSA-N 1 0 341.446 2.593 20 10 EFCDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000185787195 473513622 /nfs/dbraw/zinc/51/36/22/473513622.db2.gz SGOCQDRZABMUJL-CMPLNLGQSA-N 1 0 341.249 2.816 20 10 EFCDRO COc1ccc2c(c1)nc(C[NH2+]Cc1cccc(OC)c1O)n2C ZINC000185834640 473526741 /nfs/dbraw/zinc/52/67/41/473526741.db2.gz LWCAWJHYFWLYMF-UHFFFAOYSA-N 1 0 327.384 2.586 20 10 EFCDRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000178536037 473528846 /nfs/dbraw/zinc/52/88/46/473528846.db2.gz XVQPZHAGNPKRKA-ZDUSSCGKSA-N 1 0 346.450 2.680 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000126599684 473530054 /nfs/dbraw/zinc/53/00/54/473530054.db2.gz MEDIARVSRPCBEW-CQSZACIVSA-N 1 0 336.432 2.890 20 10 EFCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000185852751 473531369 /nfs/dbraw/zinc/53/13/69/473531369.db2.gz QPBLAGOXULGFPT-UHFFFAOYSA-N 1 0 346.452 2.530 20 10 EFCDRO C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000185871412 473534787 /nfs/dbraw/zinc/53/47/87/473534787.db2.gz ZCVKCHQQMIJOGF-GFCCVEGCSA-N 1 0 346.302 2.815 20 10 EFCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000178665436 473543361 /nfs/dbraw/zinc/54/33/61/473543361.db2.gz AZVATVRXYWYJFD-CABCVRRESA-N 1 0 328.460 2.977 20 10 EFCDRO COc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000185953483 473557688 /nfs/dbraw/zinc/55/76/88/473557688.db2.gz UNMOAQVSCJWPNF-GFCCVEGCSA-N 1 0 332.375 2.621 20 10 EFCDRO CC[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccccc1O ZINC000170599625 473560387 /nfs/dbraw/zinc/56/03/87/473560387.db2.gz PDZGBZPOZDNHLT-KRWDZBQOSA-N 1 0 327.428 2.865 20 10 EFCDRO CC(C)N1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2O)C1=O ZINC000186048679 473579649 /nfs/dbraw/zinc/57/96/49/473579649.db2.gz BIZQMAMQBGWMTQ-MFKMUULPSA-N 1 0 341.249 2.815 20 10 EFCDRO COC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000186049795 473579716 /nfs/dbraw/zinc/57/97/16/473579716.db2.gz ICTNXXUSOBWJCD-LBPRGKRZSA-N 1 0 333.359 2.934 20 10 EFCDRO C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[C@@H]([NH3+])c1ccccc1 ZINC000178863284 473580828 /nfs/dbraw/zinc/58/08/28/473580828.db2.gz ZZDUFMDUFICLPV-AUUYWEPGSA-N 1 0 339.439 2.814 20 10 EFCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]CC2=CCCOC2)C1 ZINC000127292306 473596426 /nfs/dbraw/zinc/59/64/26/473596426.db2.gz KTPAIDJQWVUDML-KRWDZBQOSA-N 1 0 336.863 2.946 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000186144172 473599505 /nfs/dbraw/zinc/59/95/05/473599505.db2.gz VVHBUHCVHKACNX-YPMHNXCESA-N 1 0 330.350 2.905 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c(O)c1 ZINC000186144469 473599741 /nfs/dbraw/zinc/59/97/41/473599741.db2.gz JEMFGOBVJARRPF-AAEUAGOBSA-N 1 0 330.350 2.905 20 10 EFCDRO C[C@H]([NH2+]CC1(CO)CCOCC1)c1cc(Br)ccc1O ZINC000186149358 473600740 /nfs/dbraw/zinc/60/07/40/473600740.db2.gz XXEQPNCHJCRFHR-NSHDSACASA-N 1 0 344.249 2.594 20 10 EFCDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000115813653 473606186 /nfs/dbraw/zinc/60/61/86/473606186.db2.gz SYEFLQUYGMFXDJ-KRWDZBQOSA-N 1 0 344.503 2.552 20 10 EFCDRO COCCN(CCCn1ccnc1C)c1ccc(OC)c(OC)c1 ZINC000127442083 473613461 /nfs/dbraw/zinc/61/34/61/473613461.db2.gz ZAMNKCSBRXSZGG-UHFFFAOYSA-N 1 0 333.432 2.752 20 10 EFCDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000186224053 473620884 /nfs/dbraw/zinc/62/08/84/473620884.db2.gz JZPHMSQVWOYYHU-SECBINFHSA-N 1 0 329.238 2.578 20 10 EFCDRO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(Cn3cncn3)CC2)c1O ZINC000186269187 473633877 /nfs/dbraw/zinc/63/38/77/473633877.db2.gz NGJSCTSUHFWGJI-UHFFFAOYSA-N 1 0 348.834 2.752 20 10 EFCDRO CC(C)[NH+](CCNC(=O)NCc1ccc(N2CC=CC2)cc1)C(C)C ZINC000127970738 473668909 /nfs/dbraw/zinc/66/89/09/473668909.db2.gz XLILDDJHBNCMEA-UHFFFAOYSA-N 1 0 344.503 2.981 20 10 EFCDRO CCCCNC(=O)C1CC[NH+](Cc2cc(OCC)ccc2O)CC1 ZINC000179331476 473674794 /nfs/dbraw/zinc/67/47/94/473674794.db2.gz ZSQADFUJXNACAR-UHFFFAOYSA-N 1 0 334.460 2.919 20 10 EFCDRO [NH3+]Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000186449558 473675661 /nfs/dbraw/zinc/67/56/61/473675661.db2.gz YXENUSMSEXSGNT-SFHVURJKSA-N 1 0 340.423 2.672 20 10 EFCDRO O=C(c1ccccc1F)N1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000179556461 473694575 /nfs/dbraw/zinc/69/45/75/473694575.db2.gz WWBXKZMKGLJJHL-UHFFFAOYSA-N 1 0 328.387 2.879 20 10 EFCDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3O)C2)nc1 ZINC000179559353 473695271 /nfs/dbraw/zinc/69/52/71/473695271.db2.gz AJOINSKTDNWNOD-MRXNPFEDSA-N 1 0 325.412 2.946 20 10 EFCDRO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cccc(OC)c1O ZINC000179603411 473698646 /nfs/dbraw/zinc/69/86/46/473698646.db2.gz SOCRLSXZMIJPGF-UHFFFAOYSA-N 1 0 344.411 2.870 20 10 EFCDRO Nc1ccc(CCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000269145999 473709004 /nfs/dbraw/zinc/70/90/04/473709004.db2.gz DOKDUBQHQPRWJP-UHFFFAOYSA-N 1 0 337.467 2.840 20 10 EFCDRO O=C(c1ccc(O)cc1)N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000179754359 473718386 /nfs/dbraw/zinc/71/83/86/473718386.db2.gz WSIONAZLTFKKQI-UHFFFAOYSA-N 1 0 346.814 2.709 20 10 EFCDRO CCOc1cccc(C[N@H+](C)Cc2ccc(C(=O)NC)cc2)c1O ZINC000179757678 473719635 /nfs/dbraw/zinc/71/96/35/473719635.db2.gz JNMXGFKIWDVDSQ-UHFFFAOYSA-N 1 0 328.412 2.783 20 10 EFCDRO COc1cccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1O ZINC000269186634 473724169 /nfs/dbraw/zinc/72/41/69/473724169.db2.gz MRZOZJFWIOZGOV-UHFFFAOYSA-N 1 0 340.423 2.927 20 10 EFCDRO CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287695889 473736589 /nfs/dbraw/zinc/73/65/89/473736589.db2.gz NJWOSYQBBGSXTQ-BBRMVZONSA-N 1 0 325.884 2.722 20 10 EFCDRO CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287731538 473746630 /nfs/dbraw/zinc/74/66/30/473746630.db2.gz PDKQSEOFXURHFV-XJKSGUPXSA-N 1 0 325.884 2.722 20 10 EFCDRO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1=O ZINC000179888740 473749978 /nfs/dbraw/zinc/74/99/78/473749978.db2.gz BUOKMEQQJHDNKB-UKRRQHHQSA-N 1 0 326.396 2.857 20 10 EFCDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cccc(O)c1O ZINC000186764417 473752236 /nfs/dbraw/zinc/75/22/36/473752236.db2.gz RUIPAZZHZPWNSH-CYBMUJFWSA-N 1 0 332.425 2.726 20 10 EFCDRO CC[C@@H]([NH2+]CCCN(CC)S(C)(=O)=O)c1cccc(Cl)c1[O-] ZINC000287787369 473759322 /nfs/dbraw/zinc/75/93/22/473759322.db2.gz SNSYWUMMTMZREM-CQSZACIVSA-N 1 0 348.896 2.758 20 10 EFCDRO COc1ccc(O)c(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 ZINC000193336456 473781580 /nfs/dbraw/zinc/78/15/80/473781580.db2.gz JGYVHOPOMWPFIF-GASCZTMLSA-N 1 0 348.443 2.700 20 10 EFCDRO CC(=O)NCCC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000186962283 473787734 /nfs/dbraw/zinc/78/77/34/473787734.db2.gz OFQSGZKJNXGFDK-SNVBAGLBSA-N 1 0 329.238 2.640 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]CCCOCCOCCOC)cc1 ZINC000274379380 473799433 /nfs/dbraw/zinc/79/94/33/473799433.db2.gz IQDBPYBVRCYGJQ-UHFFFAOYSA-N 1 0 338.492 2.692 20 10 EFCDRO C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CC[N@@H+]1Cc1ccccc1 ZINC000187171171 473830687 /nfs/dbraw/zinc/83/06/87/473830687.db2.gz JYCLSZKVYNFZMK-ZBFHGGJFSA-N 1 0 340.423 2.881 20 10 EFCDRO COc1ccc(C[N@H+](CCO)Cc2cccc(C)c2O)c(OC)c1 ZINC000180227564 473833726 /nfs/dbraw/zinc/83/37/26/473833726.db2.gz WXUYLTNNYRCQPV-UHFFFAOYSA-N 1 0 331.412 2.712 20 10 EFCDRO COCCOCCOCCC[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000274480423 473843244 /nfs/dbraw/zinc/84/32/44/473843244.db2.gz ZSKOGOCVOVYMSM-UHFFFAOYSA-N 1 0 331.840 2.513 20 10 EFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@]2(O)CCSC2)c1O ZINC000187276070 473851156 /nfs/dbraw/zinc/85/11/56/473851156.db2.gz ZZEFTLVTCBILMN-QMTHXVAHSA-N 1 0 346.290 2.982 20 10 EFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)C(N)=O)c1O ZINC000187417686 473869952 /nfs/dbraw/zinc/86/99/52/473869952.db2.gz YVEFOZTZBJJNDO-SECBINFHSA-N 1 0 329.238 2.625 20 10 EFCDRO COC(=O)COc1ccc(C[N@H+](C)Cc2cccc(C)c2O)cc1 ZINC000187436375 473872423 /nfs/dbraw/zinc/87/24/23/473872423.db2.gz CWZBFYVOLHXLAC-UHFFFAOYSA-N 1 0 329.396 2.884 20 10 EFCDRO COC(=O)COc1ccc(C[N@H+](C)Cc2cc(C)ccc2O)cc1 ZINC000187433269 473872539 /nfs/dbraw/zinc/87/25/39/473872539.db2.gz INENWANNLNBLLP-UHFFFAOYSA-N 1 0 329.396 2.884 20 10 EFCDRO CC[C@H]([NH2+]CCCOCCOCCOC)c1ccc(N(C)C)cc1 ZINC000274630641 473903960 /nfs/dbraw/zinc/90/39/60/473903960.db2.gz HYQYJXJNRBLERW-IBGZPJMESA-N 1 0 338.492 2.863 20 10 EFCDRO CC1CC[NH+](CCCCNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180660062 473932863 /nfs/dbraw/zinc/93/28/63/473932863.db2.gz JHHRIWDFBDTWPJ-FNORWQNLSA-N 1 0 332.444 2.739 20 10 EFCDRO C[C@@H]1CCC[C@](CNC(=O)/C=C/c2ccc(O)c(O)c2)([NH+](C)C)C1 ZINC000180691028 473943277 /nfs/dbraw/zinc/94/32/77/473943277.db2.gz ORTVUMBCRWKHLZ-KYSCFTSLSA-N 1 0 332.444 2.738 20 10 EFCDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180718809 473949946 /nfs/dbraw/zinc/94/99/46/473949946.db2.gz VFADAJPIMHHDLY-PKNBQFBNSA-N 1 0 340.423 2.701 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000188015978 473955407 /nfs/dbraw/zinc/95/54/07/473955407.db2.gz SNAOENXFYOKKJC-HDMKZQKVSA-N 1 0 336.451 2.864 20 10 EFCDRO CC[C@@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccccc1O ZINC000274805831 473967244 /nfs/dbraw/zinc/96/72/44/473967244.db2.gz WOYDKLPWCOUWMX-IUODEOHRSA-N 1 0 343.349 2.617 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000282192188 473976750 /nfs/dbraw/zinc/97/67/50/473976750.db2.gz KUIPRHSHBUYPKE-UHFFFAOYSA-N 1 0 346.383 2.992 20 10 EFCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C[C@H]1C ZINC000188101732 473982232 /nfs/dbraw/zinc/98/22/32/473982232.db2.gz QZVDKVPBLKGEJB-MFKMUULPSA-N 1 0 342.233 2.786 20 10 EFCDRO O=C1C[C@H](C[NH2+]Cc2cc(F)ccc2O)CN1Cc1ccccc1 ZINC000180896360 473982238 /nfs/dbraw/zinc/98/22/38/473982238.db2.gz LTTPHJHZZRLWDG-OAHLLOKOSA-N 1 0 328.387 2.670 20 10 EFCDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180933806 473987831 /nfs/dbraw/zinc/98/78/31/473987831.db2.gz PDLGWBYQIBCOSM-HQPKTYMTSA-N 1 0 332.444 2.882 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@]2(CO)CCOc3ccccc32)c(O)c1 ZINC000282247059 473997006 /nfs/dbraw/zinc/99/70/06/473997006.db2.gz GKAFIIHHFUJANA-HXUWFJFHSA-N 1 0 343.423 2.941 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000270130252 474001781 /nfs/dbraw/zinc/00/17/81/474001781.db2.gz XNXULUBMFSJYGE-SFHVURJKSA-N 1 0 344.503 2.626 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000270130248 474002267 /nfs/dbraw/zinc/00/22/67/474002267.db2.gz XNXULUBMFSJYGE-GOSISDBHSA-N 1 0 344.503 2.626 20 10 EFCDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181236033 474018279 /nfs/dbraw/zinc/01/82/79/474018279.db2.gz OAUFMOGLCGYUEV-BVBGJJFLSA-N 1 0 332.444 2.595 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC000274947657 474024796 /nfs/dbraw/zinc/02/47/96/474024796.db2.gz RSVXQXRVLZJFNE-UHFFFAOYSA-N 1 0 342.443 2.708 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000264564361 474040348 /nfs/dbraw/zinc/04/03/48/474040348.db2.gz GCXGWNZANDEOIY-SFHVURJKSA-N 1 0 330.476 2.522 20 10 EFCDRO CCOc1cccc(C[NH2+][C@]2(CO)CCOc3ccccc32)c1O ZINC000282397381 474050179 /nfs/dbraw/zinc/05/01/79/474050179.db2.gz PJFXLMIFNXVFHB-IBGZPJMESA-N 1 0 329.396 2.551 20 10 EFCDRO COc1cccc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)c1O ZINC000275106453 474071921 /nfs/dbraw/zinc/07/19/21/474071921.db2.gz BDEKGYFWZXJRGU-UHFFFAOYSA-N 1 0 349.818 2.888 20 10 EFCDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000275222287 474109281 /nfs/dbraw/zinc/10/92/81/474109281.db2.gz CCMOATVNSUBDOA-HKUYNNGSSA-N 1 0 328.460 2.723 20 10 EFCDRO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)CCc2ccccc2)cc1C ZINC000282555192 474109582 /nfs/dbraw/zinc/10/95/82/474109582.db2.gz DFXUKBAPADACGQ-UHFFFAOYSA-N 1 0 347.480 2.756 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)c1 ZINC000182342796 474152725 /nfs/dbraw/zinc/15/27/25/474152725.db2.gz CXKKDLYCEDFHKZ-KBPBESRZSA-N 1 0 328.412 2.756 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COc2cccc(C)c2)c1 ZINC000182340201 474152976 /nfs/dbraw/zinc/15/29/76/474152976.db2.gz PDJGEKBXYNJKKO-GJZGRUSLSA-N 1 0 331.412 2.800 20 10 EFCDRO Cc1cc(C(=O)N2CC[NH+](C3CCC3)CC2)c(C)n1-c1ccccn1 ZINC000264957848 474161552 /nfs/dbraw/zinc/16/15/52/474161552.db2.gz LKFRNBNOONQPME-UHFFFAOYSA-N 1 0 338.455 2.799 20 10 EFCDRO CN(C)c1ccc(C[NH2+]Cc2ccccc2Cn2cncn2)cc1F ZINC000264998070 474163487 /nfs/dbraw/zinc/16/34/87/474163487.db2.gz YWGOCGKLSLCVSO-UHFFFAOYSA-N 1 0 339.418 2.821 20 10 EFCDRO CC[NH+](CC)Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000270545369 474164460 /nfs/dbraw/zinc/16/44/60/474164460.db2.gz MDLJDRDLZONHNX-UHFFFAOYSA-N 1 0 342.439 2.912 20 10 EFCDRO CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000265182847 474168797 /nfs/dbraw/zinc/16/87/97/474168797.db2.gz MBACJSZXEYGOCQ-PXNSSMCTSA-N 1 0 333.520 2.979 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)c1 ZINC000182457588 474181163 /nfs/dbraw/zinc/18/11/63/474181163.db2.gz QYMUBVKWQFIILC-JSGCOSHPSA-N 1 0 335.375 2.630 20 10 EFCDRO C[C@H]([NH2+]CCOCC(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000188741624 474182538 /nfs/dbraw/zinc/18/25/38/474182538.db2.gz YNEWVIYIVUQVQD-LBPRGKRZSA-N 1 0 332.366 2.595 20 10 EFCDRO CC[NH+](CC)[C@@H](C(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000182517690 474194521 /nfs/dbraw/zinc/19/45/21/474194521.db2.gz PFOATIUUHUPJJX-GOSISDBHSA-N 1 0 328.412 2.797 20 10 EFCDRO COc1ccc(C[NH2+]CCS(=O)(=O)CCc2ccccc2)cc1C ZINC000282788863 474194547 /nfs/dbraw/zinc/19/45/47/474194547.db2.gz WISOUKZAOCIEKA-UHFFFAOYSA-N 1 0 347.480 2.751 20 10 EFCDRO COc1ccc(O)c(C[NH2+]C(C)(C)C(=O)NCC2CCCCC2)c1 ZINC000182639749 474223939 /nfs/dbraw/zinc/22/39/39/474223939.db2.gz LYGNUBCMLQPNED-UHFFFAOYSA-N 1 0 334.460 2.966 20 10 EFCDRO CN1C(=O)C[C@H]([NH2+]Cc2ccccc2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000270693520 474224567 /nfs/dbraw/zinc/22/45/67/474224567.db2.gz WLLPHYZWDUSRAT-YJBOKZPZSA-N 1 0 332.350 2.732 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000182668276 474230337 /nfs/dbraw/zinc/23/03/37/474230337.db2.gz NODKIMOLGJRZLZ-RTWAWAEBSA-N 1 0 338.451 2.613 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC000182679872 474231380 /nfs/dbraw/zinc/23/13/80/474231380.db2.gz HUDOCJSMBMLKHK-LBPRGKRZSA-N 1 0 348.349 2.574 20 10 EFCDRO CCc1ccc([C@@H](O)C[NH2+]Cc2cc(OC)c(OC)cc2O)cc1 ZINC000289347265 474231582 /nfs/dbraw/zinc/23/15/82/474231582.db2.gz IQGXUXYDKIQZKW-KRWDZBQOSA-N 1 0 331.412 2.795 20 10 EFCDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000182676380 474231900 /nfs/dbraw/zinc/23/19/00/474231900.db2.gz UHTNZVKELPYEML-HNNXBMFYSA-N 1 0 338.517 2.978 20 10 EFCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000175557316 474249715 /nfs/dbraw/zinc/24/97/15/474249715.db2.gz LCQYRZFNSNPARR-HNNXBMFYSA-N 1 0 345.487 2.802 20 10 EFCDRO CC(C)([NH3+])CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000236578744 474273333 /nfs/dbraw/zinc/27/33/33/474273333.db2.gz XDYYXOFKGBLFSM-LBPRGKRZSA-N 1 0 341.402 2.500 20 10 EFCDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Cc1ccc(N)cc1 ZINC000236655252 474277969 /nfs/dbraw/zinc/27/79/69/474277969.db2.gz FDSAIRZKCDMJCP-UHFFFAOYSA-N 1 0 325.456 2.968 20 10 EFCDRO Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(O)c1O ZINC000182911631 474285563 /nfs/dbraw/zinc/28/55/63/474285563.db2.gz IGSSNMRWMGROFV-UONOGXRCSA-N 1 0 332.444 2.789 20 10 EFCDRO Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(O)c1O ZINC000182911667 474285991 /nfs/dbraw/zinc/28/59/91/474285991.db2.gz IGSSNMRWMGROFV-KBPBESRZSA-N 1 0 332.444 2.789 20 10 EFCDRO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC000182919328 474287445 /nfs/dbraw/zinc/28/74/45/474287445.db2.gz CYNKTPMJGWRTSE-UHFFFAOYSA-N 1 0 342.439 2.936 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(OC)c(O)c2)cc1C ZINC000289496960 474297463 /nfs/dbraw/zinc/29/74/63/474297463.db2.gz SLIPZHMBNYTSIH-KRWDZBQOSA-N 1 0 345.439 2.659 20 10 EFCDRO CCOc1cccc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)c1O ZINC000275730446 474298146 /nfs/dbraw/zinc/29/81/46/474298146.db2.gz ZUJLHFVJLZVJPU-MAUKXSAKSA-N 1 0 331.416 2.534 20 10 EFCDRO C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(N2CCCCC2)cc1 ZINC000289630013 474352533 /nfs/dbraw/zinc/35/25/33/474352533.db2.gz FCFZPPLGIRCFQQ-MRXNPFEDSA-N 1 0 343.475 2.502 20 10 EFCDRO CC[C@@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)c1ccccc1O ZINC000183347004 474374483 /nfs/dbraw/zinc/37/44/83/474374483.db2.gz CLGKEIUQKAEHIG-QGZVFWFLSA-N 1 0 328.412 2.758 20 10 EFCDRO C[C@@](O)(C[NH2+]Cc1cc(Br)ccc1O)c1ccco1 ZINC000266157114 474421366 /nfs/dbraw/zinc/42/13/66/474421366.db2.gz MJOQOXRLJHVRQX-CQSZACIVSA-N 1 0 326.190 2.745 20 10 EFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C12CCC2 ZINC000266168183 474423210 /nfs/dbraw/zinc/42/32/10/474423210.db2.gz QEQARAUQJHQLIU-RTBURBONSA-N 1 0 330.472 2.961 20 10 EFCDRO C[C@H]1CN(c2ccc(C[NH2+]Cc3ccc(CO)o3)cc2F)C[C@H](C)O1 ZINC000266240128 474425911 /nfs/dbraw/zinc/42/59/11/474425911.db2.gz WXUFLLOFTGAIJT-KBPBESRZSA-N 1 0 348.418 2.814 20 10 EFCDRO COc1ncccc1CC[NH2+]Cc1cc(Br)ccc1O ZINC000289788696 474427376 /nfs/dbraw/zinc/42/73/76/474427376.db2.gz LGJKLMVBSUEFMB-UHFFFAOYSA-N 1 0 337.217 2.891 20 10 EFCDRO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2cc(C)ccc2O)cc1OC ZINC000289801933 474433885 /nfs/dbraw/zinc/43/38/85/474433885.db2.gz MIEIFYOTLGSTBJ-HXUWFJFHSA-N 1 0 345.439 2.801 20 10 EFCDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000289854937 474457388 /nfs/dbraw/zinc/45/73/88/474457388.db2.gz VDKZMFQDUJTFRK-AWEZNQCLSA-N 1 0 340.851 2.935 20 10 EFCDRO COc1cccc(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c1O ZINC000276250895 474469588 /nfs/dbraw/zinc/46/95/88/474469588.db2.gz WFWCBVNPUPPWEM-MRXNPFEDSA-N 1 0 332.444 2.814 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1F ZINC000271276146 474471139 /nfs/dbraw/zinc/47/11/39/474471139.db2.gz KZGNQEGQZIGJSU-MAUKXSAKSA-N 1 0 346.450 2.571 20 10 EFCDRO Cc1cc(Br)cc(CN2CCC[C@@](F)(CO)C2)c1O ZINC000289934160 474492226 /nfs/dbraw/zinc/49/22/26/474492226.db2.gz WPNFYCZZGMGULZ-AWEZNQCLSA-N 1 0 332.213 2.760 20 10 EFCDRO OCC[C@H]([NH2+]Cc1cc(Br)ccc1O)c1ccco1 ZINC000184520212 474535511 /nfs/dbraw/zinc/53/55/11/474535511.db2.gz YDRGDTHKPBZAQB-LBPRGKRZSA-N 1 0 326.190 2.961 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3cccnc3)CC2)cc1 ZINC000271455602 474554066 /nfs/dbraw/zinc/55/40/66/474554066.db2.gz ZOIFHJNKSAAWEQ-QGZVFWFLSA-N 1 0 340.471 2.563 20 10 EFCDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000271460609 474556608 /nfs/dbraw/zinc/55/66/08/474556608.db2.gz JZKFPNLZKQYDMG-CABCVRRESA-N 1 0 332.423 2.598 20 10 EFCDRO C[C@H](Cn1cccn1)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000271460614 474557482 /nfs/dbraw/zinc/55/74/82/474557482.db2.gz JZKFPNLZKQYDMG-HUUCEWRRSA-N 1 0 332.423 2.598 20 10 EFCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000290234968 474563407 /nfs/dbraw/zinc/56/34/07/474563407.db2.gz UYSINTYZYVVLQE-MOPGFXCFSA-N 1 0 329.488 2.927 20 10 EFCDRO COC(=O)C[C@@](C)([NH2+]Cc1ccc(OC)c(C)c1)c1ccncc1 ZINC000276496142 474563951 /nfs/dbraw/zinc/56/39/51/474563951.db2.gz WQIAQCJGFDMTTI-LJQANCHMSA-N 1 0 328.412 2.967 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)cc1OC ZINC000290291849 474565567 /nfs/dbraw/zinc/56/55/67/474565567.db2.gz AMFHNWXWLIHGNL-INIZCTEOSA-N 1 0 348.418 2.941 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@H](CN(C)C)c2ccc(F)cc2)cc1OC ZINC000290291853 474565827 /nfs/dbraw/zinc/56/58/27/474565827.db2.gz AMFHNWXWLIHGNL-MRXNPFEDSA-N 1 0 348.418 2.941 20 10 EFCDRO Oc1ccccc1C[N@@H+](Cc1c[nH]c2nccnc12)C[C@H]1CCCO1 ZINC000290321616 474566161 /nfs/dbraw/zinc/56/61/61/474566161.db2.gz BSOZCUWNHASPNQ-MRXNPFEDSA-N 1 0 338.411 2.845 20 10 EFCDRO CN(C)c1ccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000267034535 474571416 /nfs/dbraw/zinc/57/14/16/474571416.db2.gz NLUJKIWTHVJKTK-UHFFFAOYSA-N 1 0 329.404 2.522 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c1 ZINC000277202035 474579906 /nfs/dbraw/zinc/57/99/06/474579906.db2.gz VTSVTOQNWCBENZ-CYBMUJFWSA-N 1 0 328.416 2.510 20 10 EFCDRO COc1cc(Cl)cc(C[NH+]2CCC(c3nncn3C)CC2)c1O ZINC000184681311 474581871 /nfs/dbraw/zinc/58/18/71/474581871.db2.gz AIZUJWGBIXPBGZ-UHFFFAOYSA-N 1 0 336.823 2.562 20 10 EFCDRO COc1ccc(O)c(CN2CC[NH+](CCc3cccs3)CC2)c1 ZINC000271751150 474588575 /nfs/dbraw/zinc/58/85/75/474588575.db2.gz VLXCXXRHRINASK-UHFFFAOYSA-N 1 0 332.469 2.823 20 10 EFCDRO COC(=O)c1cc(C[NH2+]Cc2ccc3c(c2)CCCN3C)n(C)c1C ZINC000291015562 474590757 /nfs/dbraw/zinc/59/07/57/474590757.db2.gz AEKLDECOYJUGRV-UHFFFAOYSA-N 1 0 341.455 2.792 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)[C@@H](CCO)c2ccccc2)cc1OC ZINC000271795272 474591427 /nfs/dbraw/zinc/59/14/27/474591427.db2.gz JVSYUZCODNFOIE-INIZCTEOSA-N 1 0 331.412 2.965 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)cc1OC ZINC000271792840 474591904 /nfs/dbraw/zinc/59/19/04/474591904.db2.gz HGDREZATUJMDPW-BBATYDOGSA-N 1 0 335.375 2.760 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)Cc2ccc3c(c2)OCO3)cc1OC ZINC000271799023 474593483 /nfs/dbraw/zinc/59/34/83/474593483.db2.gz KVDPNACJFYWNHH-UHFFFAOYSA-N 1 0 331.368 2.770 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+]C2(c3ccccc3)CC2)cc1 ZINC000271802619 474594034 /nfs/dbraw/zinc/59/40/34/474594034.db2.gz KLZBLOSBJPIVTB-UHFFFAOYSA-N 1 0 337.467 2.990 20 10 EFCDRO CCOc1cccc(C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)c1O ZINC000291166944 474595931 /nfs/dbraw/zinc/59/59/31/474595931.db2.gz DDZVUNGWCTZZBY-AWEZNQCLSA-N 1 0 344.386 2.825 20 10 EFCDRO CC[C@@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1ccccc1O ZINC000291157828 474596487 /nfs/dbraw/zinc/59/64/87/474596487.db2.gz IAMPUQSUAPHQNG-GOSISDBHSA-N 1 0 339.439 2.887 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@@H]3Cc4ccccc4[C@@H]3O)CC2)cc1F ZINC000271881806 474598459 /nfs/dbraw/zinc/59/84/59/474598459.db2.gz CEJCZSDIQCTTMZ-QUCCMNQESA-N 1 0 342.414 2.615 20 10 EFCDRO COc1c([O-])c(C[N@@H+]2CCS[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278219071 474604179 /nfs/dbraw/zinc/60/41/79/474604179.db2.gz LIMWWOANMPKVDT-ZDUSSCGKSA-N 1 0 326.418 2.882 20 10 EFCDRO COC[C@@]1(C[NH2+]Cc2cccc(C)c2O)OCCc2ccccc21 ZINC000291476235 474604612 /nfs/dbraw/zinc/60/46/12/474604612.db2.gz FIFIDPVUNWRWPY-HXUWFJFHSA-N 1 0 327.424 2.905 20 10 EFCDRO COc1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)ccc1O ZINC000278270155 474605609 /nfs/dbraw/zinc/60/56/09/474605609.db2.gz ROGWANCIHPRWEB-UHFFFAOYSA-N 1 0 348.355 2.655 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](Oc3ncccc3F)C1)OCO2 ZINC000278285862 474605781 /nfs/dbraw/zinc/60/57/81/474605781.db2.gz QTXQQBMDDHYPFM-ZDUSSCGKSA-N 1 0 346.358 2.698 20 10 EFCDRO Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c(C)n1-c1ccccn1 ZINC000272481242 474613738 /nfs/dbraw/zinc/61/37/38/474613738.db2.gz MCWFSSSIKCBSJX-AEFFLSMTSA-N 1 0 338.455 2.655 20 10 EFCDRO COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000278341098 474614917 /nfs/dbraw/zinc/61/49/17/474614917.db2.gz XLHHFHZDSKJOFW-AWEZNQCLSA-N 1 0 344.411 2.754 20 10 EFCDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cc(Br)ccc3O)[C@H]2C1 ZINC000272551521 474617254 /nfs/dbraw/zinc/61/72/54/474617254.db2.gz DAAGQNIRDMXMCT-RISCZKNCSA-N 1 0 325.250 2.681 20 10 EFCDRO C[C@H]([NH2+]CCCN1CCOCC1)c1ccc(Br)cc1O ZINC000184838072 474618292 /nfs/dbraw/zinc/61/82/92/474618292.db2.gz QEAUJZYOUCGPER-LBPRGKRZSA-N 1 0 343.265 2.528 20 10 EFCDRO COc1c(O)c(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000291560954 474619908 /nfs/dbraw/zinc/61/99/08/474619908.db2.gz NBCMQXAYGWMUBN-XJKSGUPXSA-N 1 0 336.388 2.698 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000278357781 474620068 /nfs/dbraw/zinc/62/00/68/474620068.db2.gz APJRXMWPDVKRQT-UHFFFAOYSA-N 1 0 329.488 2.976 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3(CC)CC3)cc2F)CC1 ZINC000267233042 474624726 /nfs/dbraw/zinc/62/47/26/474624726.db2.gz GZYNOEMTRDCLON-UHFFFAOYSA-N 1 0 333.451 2.774 20 10 EFCDRO C[C@H](NC(=O)NCc1ccccc1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272721620 474624797 /nfs/dbraw/zinc/62/47/97/474624797.db2.gz JDDDUHVZKXEDST-GOEBONIOSA-N 1 0 331.460 2.844 20 10 EFCDRO COc1cc(O)c(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)cc1OC ZINC000291592397 474626617 /nfs/dbraw/zinc/62/66/17/474626617.db2.gz PZFAKWMNVMQUOZ-UZLBHIALSA-N 1 0 343.423 2.665 20 10 EFCDRO COc1cc(O)c(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)cc1OC ZINC000291592394 474626675 /nfs/dbraw/zinc/62/66/75/474626675.db2.gz PZFAKWMNVMQUOZ-JXFKEZNVSA-N 1 0 343.423 2.665 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccccc1O ZINC000272819719 474626738 /nfs/dbraw/zinc/62/67/38/474626738.db2.gz FMBRSHZOKMFQPX-HQRMLTQVSA-N 1 0 340.467 2.926 20 10 EFCDRO COc1c(O)c(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)ccc1[N+](=O)[O-] ZINC000278390226 474630904 /nfs/dbraw/zinc/63/09/04/474630904.db2.gz MVNUHEFIMMPPBQ-KRWDZBQOSA-N 1 0 338.404 2.682 20 10 EFCDRO COCCN(CC[NH2+][C@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000272896707 474637284 /nfs/dbraw/zinc/63/72/84/474637284.db2.gz UHGBABSRPGNEGK-CQSZACIVSA-N 1 0 338.448 2.926 20 10 EFCDRO COc1cccc(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)c1O ZINC000267283737 474637382 /nfs/dbraw/zinc/63/73/82/474637382.db2.gz HJHRACJHFGPLSU-UHFFFAOYSA-N 1 0 347.459 2.607 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000278424413 474641044 /nfs/dbraw/zinc/64/10/44/474641044.db2.gz SAVZKVDFRJIECH-ABAIWWIYSA-N 1 0 333.350 2.926 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278455653 474648427 /nfs/dbraw/zinc/64/84/27/474648427.db2.gz MAHVNOFRJMESDP-ZDUSSCGKSA-N 1 0 332.444 2.704 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000272962210 474651385 /nfs/dbraw/zinc/65/13/85/474651385.db2.gz JTVGTXMPBIBBIX-UHFFFAOYSA-N 1 0 337.423 2.529 20 10 EFCDRO COc1c([O-])c(C[NH2+]Cc2cccc(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000278551977 474696508 /nfs/dbraw/zinc/69/65/08/474696508.db2.gz ZHYAIXFMTYQBNR-UHFFFAOYSA-N 1 0 345.399 2.660 20 10 EFCDRO CCn1cc(CC[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000278578751 474716580 /nfs/dbraw/zinc/71/65/80/474716580.db2.gz JXTXSFICGDDUBR-GOSISDBHSA-N 1 0 329.444 2.832 20 10 EFCDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccccc1O ZINC000284882724 474812400 /nfs/dbraw/zinc/81/24/00/474812400.db2.gz RDMDDCVWHIGZDV-QMTMVMCOSA-N 1 0 342.443 2.529 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccccc1O ZINC000273268535 474813168 /nfs/dbraw/zinc/81/31/68/474813168.db2.gz OCCQWDQLUMTPGM-YOEHRIQHSA-N 1 0 325.412 2.629 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccccc1O ZINC000273268527 474814320 /nfs/dbraw/zinc/81/43/20/474814320.db2.gz OCCQWDQLUMTPGM-RHSMWYFYSA-N 1 0 325.412 2.629 20 10 EFCDRO CCCOc1ccc(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c(O)c1 ZINC000278754950 474816084 /nfs/dbraw/zinc/81/60/84/474816084.db2.gz SRUKNNLWZJKBCB-INIZCTEOSA-N 1 0 348.487 2.866 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268136294 474818605 /nfs/dbraw/zinc/81/86/05/474818605.db2.gz JNNORTFPJGXLJW-DNVCBOLYSA-N 1 0 344.503 2.767 20 10 EFCDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000268143348 474824189 /nfs/dbraw/zinc/82/41/89/474824189.db2.gz KXZLKAFZKCVQDX-SCLBCKFNSA-N 1 0 343.471 2.553 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)c2cccc(C)c2)c1 ZINC000273300113 474831334 /nfs/dbraw/zinc/83/13/34/474831334.db2.gz BBTJPFRGZRZPOP-CQSZACIVSA-N 1 0 328.412 2.790 20 10 EFCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)cc1C ZINC000293205079 474866622 /nfs/dbraw/zinc/86/66/22/474866622.db2.gz XYMSBTWZSFQBQI-HXUWFJFHSA-N 1 0 340.467 2.518 20 10 EFCDRO Cc1cc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000268238820 474880426 /nfs/dbraw/zinc/88/04/26/474880426.db2.gz OKPOERWMBFJJGH-UGSOOPFHSA-N 1 0 338.455 2.702 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2Cn2cncn2)c1 ZINC000273414960 474886211 /nfs/dbraw/zinc/88/62/11/474886211.db2.gz QRQCNSORUQJMPP-CQSZACIVSA-N 1 0 338.411 2.891 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2Cn2cncn2)c1 ZINC000273414957 474886884 /nfs/dbraw/zinc/88/68/84/474886884.db2.gz QRQCNSORUQJMPP-AWEZNQCLSA-N 1 0 338.411 2.891 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c(O)c1C ZINC000273438459 474896917 /nfs/dbraw/zinc/89/69/17/474896917.db2.gz XSOKRWZIELRCLB-AWEZNQCLSA-N 1 0 348.468 2.550 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)c1 ZINC000273480495 474921977 /nfs/dbraw/zinc/92/19/77/474921977.db2.gz UKNCUMJANNIFRR-CRAIPNDOSA-N 1 0 339.439 2.937 20 10 EFCDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000285266943 474951874 /nfs/dbraw/zinc/95/18/74/474951874.db2.gz YILPVDFBBRBPBO-NVXWUHKLSA-N 1 0 326.440 2.840 20 10 EFCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(C3(C)OCCO3)CC2)c1O ZINC000268437977 474977468 /nfs/dbraw/zinc/97/74/68/474977468.db2.gz FNYYKSXLZHNPNL-UHFFFAOYSA-N 1 0 337.391 2.709 20 10 EFCDRO COC[C@H]([NH2+]Cc1cc(Br)cc(C)c1O)[C@H]1CCCO1 ZINC000279499602 474979066 /nfs/dbraw/zinc/97/90/66/474979066.db2.gz VWKSPRDWRDAPJP-UONOGXRCSA-N 1 0 344.249 2.747 20 10 EFCDRO COCC[C@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279538593 474979497 /nfs/dbraw/zinc/97/94/97/474979497.db2.gz AJQCBSVDRFUIQQ-HNNXBMFYSA-N 1 0 334.382 2.649 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)c(O)c1C ZINC000273604022 474986375 /nfs/dbraw/zinc/98/63/75/474986375.db2.gz SOEZMHSRAWLFMH-WMZOPIPTSA-N 1 0 347.503 2.602 20 10 EFCDRO COc1cc(N2CC[NH+](CCCCF)CC2)cc(OC)c1OC ZINC000285360909 474989683 /nfs/dbraw/zinc/98/96/83/474989683.db2.gz BLUPUUOVEHBKCH-UHFFFAOYSA-N 1 0 326.412 2.584 20 10 EFCDRO C[C@@H](NC(=O)c1cccc(O)c1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000279789552 474990962 /nfs/dbraw/zinc/99/09/62/474990962.db2.gz IMCVXJLWYRDKKJ-GDBMZVCRSA-N 1 0 340.423 2.738 20 10 EFCDRO C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)c1nncn1C ZINC000273614684 474991574 /nfs/dbraw/zinc/99/15/74/474991574.db2.gz WZWRDVAEBKIUOB-RKDXNWHRSA-N 1 0 325.210 2.695 20 10 EFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](CO)COC)cc1 ZINC000279835093 474995456 /nfs/dbraw/zinc/99/54/56/474995456.db2.gz QNCMXDYXWWURBL-LJQANCHMSA-N 1 0 328.456 2.810 20 10 EFCDRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)CC)CC1)c1ccc(C)cc1O ZINC000280005686 475004073 /nfs/dbraw/zinc/00/40/73/475004073.db2.gz GICGVDKKSVTTGH-INIZCTEOSA-N 1 0 340.489 2.555 20 10 EFCDRO CC[C@H]([NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O)c1ccc(C)cc1O ZINC000280247391 475017012 /nfs/dbraw/zinc/01/70/12/475017012.db2.gz WIVRWVDVLVBOOL-JKSUJKDBSA-N 1 0 342.443 2.589 20 10 EFCDRO CO[C@]1(C)CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000280314764 475020693 /nfs/dbraw/zinc/02/06/93/475020693.db2.gz GOBZPURYXIJKFJ-HXUWFJFHSA-N 1 0 347.503 2.602 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(CO)(c3ccccc3)CC2)c1 ZINC000293521496 475020903 /nfs/dbraw/zinc/02/09/03/475020903.db2.gz AYOZXYWDMSKLQF-UHFFFAOYSA-N 1 0 327.424 2.927 20 10 EFCDRO Cc1cnn(C)c1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000285461367 475026099 /nfs/dbraw/zinc/02/60/99/475026099.db2.gz MZANCUWXLFWWMX-GASCZTMLSA-N 1 0 346.450 2.771 20 10 EFCDRO Cc1cnn(C)c1C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000285461369 475026694 /nfs/dbraw/zinc/02/66/94/475026694.db2.gz MZANCUWXLFWWMX-GJZGRUSLSA-N 1 0 346.450 2.771 20 10 EFCDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000285592270 475031443 /nfs/dbraw/zinc/03/14/43/475031443.db2.gz ITHOYVSFUQZKSI-CRAIPNDOSA-N 1 0 330.476 2.521 20 10 EFCDRO CC(C)[C@H]([NH2+]Cc1cc(Br)ccc1O)c1nncn1C ZINC000285608505 475032723 /nfs/dbraw/zinc/03/27/23/475032723.db2.gz VSWYRKFAGYSENR-ZDUSSCGKSA-N 1 0 339.237 2.770 20 10 EFCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(OC)ccc2O)s1 ZINC000280564622 475033182 /nfs/dbraw/zinc/03/31/82/475033182.db2.gz LEOATCCFGBDJKZ-UHFFFAOYSA-N 1 0 341.454 2.546 20 10 EFCDRO COCCCOc1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000285704456 475038676 /nfs/dbraw/zinc/03/86/76/475038676.db2.gz WBEJLWUUBRNKHJ-UHFFFAOYSA-N 1 0 345.395 2.826 20 10 EFCDRO Cc1cc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)ccc1N(C)C ZINC000293619971 475044168 /nfs/dbraw/zinc/04/41/68/475044168.db2.gz WBJVRHIIPCTAGZ-SFHVURJKSA-N 1 0 329.488 2.799 20 10 EFCDRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268834023 475045739 /nfs/dbraw/zinc/04/57/39/475045739.db2.gz LEPAYBDBLBRCQE-VCBZYWHSSA-N 1 0 349.494 2.605 20 10 EFCDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@H](O)C(F)(F)F ZINC000273761856 475046009 /nfs/dbraw/zinc/04/60/09/475046009.db2.gz PFZWXDHIUZVKBF-SKDRFNHKSA-N 1 0 327.730 2.846 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000268867303 475046177 /nfs/dbraw/zinc/04/61/77/475046177.db2.gz WYBFNXYNWOZMGL-AWEZNQCLSA-N 1 0 347.484 2.975 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3cncs3)CC2)cc1 ZINC000268847214 475046882 /nfs/dbraw/zinc/04/68/82/475046882.db2.gz SANCWWYOQWNSES-OAHLLOKOSA-N 1 0 346.500 2.625 20 10 EFCDRO Cc1cc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)ccc1N(C)C ZINC000293746939 475050591 /nfs/dbraw/zinc/05/05/91/475050591.db2.gz IGLULWQXUROVLQ-IBGZPJMESA-N 1 0 342.487 2.740 20 10 EFCDRO Cc1cc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)c(C)n1-c1ccccn1 ZINC000286114953 475052653 /nfs/dbraw/zinc/05/26/53/475052653.db2.gz OFEWPQZADKQDNP-UVBSCNOISA-N 1 0 326.444 2.605 20 10 EFCDRO COc1c([O-])c(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000293872872 475055914 /nfs/dbraw/zinc/05/59/14/475055914.db2.gz CQTTXLRJVULEKO-KRWDZBQOSA-N 1 0 338.404 2.540 20 10 EFCDRO Cc1cc(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)ccc1N(C)C ZINC000294324041 475067063 /nfs/dbraw/zinc/06/70/63/475067063.db2.gz YDELLOUIHMUSPA-KRWDZBQOSA-N 1 0 331.504 2.746 20 10 EFCDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)C1 ZINC000281133317 475084482 /nfs/dbraw/zinc/08/44/82/475084482.db2.gz DBQYJOROBFXCSU-BVUBDWEXSA-N 1 0 333.428 2.882 20 10 EFCDRO CC(C)NC(=O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294825098 475085621 /nfs/dbraw/zinc/08/56/21/475085621.db2.gz RUKAVIDQNSIYMG-UHFFFAOYSA-N 1 0 331.485 2.999 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@]2(O)CCOC2)cc1 ZINC000294918794 475091175 /nfs/dbraw/zinc/09/11/75/475091175.db2.gz AQCSNGFIIQCHEI-GOSISDBHSA-N 1 0 332.469 2.626 20 10 EFCDRO C[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H](c1ccccc1)[NH+](C)C ZINC000294925559 475091197 /nfs/dbraw/zinc/09/11/97/475091197.db2.gz GXQILLRVYLURRA-ZBEGNZNMSA-N 1 0 332.375 2.658 20 10 EFCDRO CCCCC[N@H+](CC(N)=O)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000294968445 475096120 /nfs/dbraw/zinc/09/61/20/475096120.db2.gz KTGVUNIPUCYJLR-UHFFFAOYSA-N 1 0 347.503 2.779 20 10 EFCDRO COC1CCN(c2ccc(C[N@H+](C)C[C@@H]3CCC[C@H]3O)cc2)CC1 ZINC000295028526 475098629 /nfs/dbraw/zinc/09/86/29/475098629.db2.gz VJSRWTWGHQJJCC-FXAWDEMLSA-N 1 0 332.488 2.895 20 10 EFCDRO OCCCN1CCC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000295022752 475099223 /nfs/dbraw/zinc/09/92/23/475099223.db2.gz CKKGNPGEXLFPAD-FQEVSTJZSA-N 1 0 340.467 2.996 20 10 EFCDRO C[C@H]([NH2+]CC(C)(C)OCCO)c1cc(Br)ccc1O ZINC000287242610 475099719 /nfs/dbraw/zinc/09/97/19/475099719.db2.gz HITSLYPJLCHVJT-JTQLQIEISA-N 1 0 332.238 2.593 20 10 EFCDRO Cn1cc([C@@H]2C[N@H+](Cc3ccccc3O)CC23CCOCC3)cn1 ZINC000295096990 475103467 /nfs/dbraw/zinc/10/34/67/475103467.db2.gz UKJXDCPLLFTYFQ-KRWDZBQOSA-N 1 0 327.428 2.522 20 10 EFCDRO Cn1cc([C@H]2C[N@H+](Cc3ccccc3O)CC23CCOCC3)cn1 ZINC000295096992 475104549 /nfs/dbraw/zinc/10/45/49/475104549.db2.gz UKJXDCPLLFTYFQ-QGZVFWFLSA-N 1 0 327.428 2.522 20 10 EFCDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295681119 475130150 /nfs/dbraw/zinc/13/01/50/475130150.db2.gz HATGPZDGUUZDTM-CVEARBPZSA-N 1 0 348.487 2.979 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000281282956 475150160 /nfs/dbraw/zinc/15/01/60/475150160.db2.gz ZJEJFYWXTWTJHV-OAHLLOKOSA-N 1 0 340.423 2.886 20 10 EFCDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)o1 ZINC000269071737 475159983 /nfs/dbraw/zinc/15/99/83/475159983.db2.gz XCVIIHGIFZSBPT-KDOFPFPSSA-N 1 0 348.418 2.948 20 10 EFCDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)o1 ZINC000269071738 475160598 /nfs/dbraw/zinc/16/05/98/475160598.db2.gz XCVIIHGIFZSBPT-KSSFIOAISA-N 1 0 348.418 2.948 20 10 EFCDRO COc1cc(O)c(C[NH2+]C2CCN(c3nccs3)CC2)cc1OC ZINC000281319955 475168891 /nfs/dbraw/zinc/16/88/91/475168891.db2.gz RFQVYISITLMMMW-UHFFFAOYSA-N 1 0 349.456 2.625 20 10 EFCDRO FC(F)(F)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000287557969 475194196 /nfs/dbraw/zinc/19/41/96/475194196.db2.gz GASALQMJYBOEPZ-GDBMZVCRSA-N 1 0 344.377 2.723 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000350284610 476118888 /nfs/dbraw/zinc/11/88/88/476118888.db2.gz FCVHMVVYYWVYQU-CQSZACIVSA-N 1 0 328.460 2.722 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@@H]2CN(C)Cc3ccccc32)cc1OC ZINC000359892702 476271605 /nfs/dbraw/zinc/27/16/05/476271605.db2.gz AQJADLQQJQWQNR-MRXNPFEDSA-N 1 0 328.412 2.686 20 10 EFCDRO Cn1nccc1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000368942249 476379244 /nfs/dbraw/zinc/37/92/44/476379244.db2.gz NKXDJCWREFTWBF-UHFFFAOYSA-N 1 0 336.386 2.780 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCc2nccn2C1 ZINC000368952862 476381569 /nfs/dbraw/zinc/38/15/69/476381569.db2.gz XVNCEWXPAQNEOK-QGZVFWFLSA-N 1 0 340.471 2.949 20 10 EFCDRO COC(=O)c1ccc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)o1 ZINC000363619115 476462267 /nfs/dbraw/zinc/46/22/67/476462267.db2.gz KEAPRQPFKWQUNC-UHFFFAOYSA-N 1 0 344.411 2.787 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1O ZINC000374256520 476463587 /nfs/dbraw/zinc/46/35/87/476463587.db2.gz NYKOLJFNJFATON-DLBZAZTESA-N 1 0 345.443 2.613 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1O ZINC000374256521 476464074 /nfs/dbraw/zinc/46/40/74/476464074.db2.gz NYKOLJFNJFATON-IAGOWNOFSA-N 1 0 345.443 2.613 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1F ZINC000374254314 476464138 /nfs/dbraw/zinc/46/41/38/476464138.db2.gz DHWSADLJDOBALB-QFBILLFUSA-N 1 0 346.450 2.713 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1F ZINC000374254310 476464336 /nfs/dbraw/zinc/46/43/36/476464336.db2.gz DHWSADLJDOBALB-APWZRJJASA-N 1 0 346.450 2.713 20 10 EFCDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2O)cn1 ZINC000374258341 476465032 /nfs/dbraw/zinc/46/50/32/476465032.db2.gz VBHOZTNPKZZHPN-NVXWUHKLSA-N 1 0 335.835 2.867 20 10 EFCDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2O)cn1 ZINC000374258343 476465117 /nfs/dbraw/zinc/46/51/17/476465117.db2.gz VBHOZTNPKZZHPN-WBVHZDCISA-N 1 0 335.835 2.867 20 10 EFCDRO c1cc([C@H]2CCCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)n[nH]1 ZINC000377617579 476476226 /nfs/dbraw/zinc/47/62/26/476476226.db2.gz AKXCBARTOGGFFI-LJQANCHMSA-N 1 0 326.444 2.974 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000377622807 476480937 /nfs/dbraw/zinc/48/09/37/476480937.db2.gz IIQTYMYIYCWHCP-IRXDYDNUSA-N 1 0 331.460 2.941 20 10 EFCDRO CC[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccc(N(C)C)cc1 ZINC000374574039 476489491 /nfs/dbraw/zinc/48/94/91/476489491.db2.gz FIPQUGLRFBOKEB-LPHOPBHVSA-N 1 0 327.476 2.806 20 10 EFCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)c1 ZINC000377689509 476523391 /nfs/dbraw/zinc/52/33/91/476523391.db2.gz CCVKEXHEDKNFCL-SJORKVTESA-N 1 0 348.443 2.570 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000352126550 476525659 /nfs/dbraw/zinc/52/56/59/476525659.db2.gz VAWBYISWQLBOCT-LJQANCHMSA-N 1 0 325.456 2.977 20 10 EFCDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000374783372 476528426 /nfs/dbraw/zinc/52/84/26/476528426.db2.gz QUBOYQTWAVSTRB-LBPRGKRZSA-N 1 0 332.379 2.592 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1F ZINC000374907726 476586197 /nfs/dbraw/zinc/58/61/97/476586197.db2.gz FWQIYHFNRIYQRK-INIZCTEOSA-N 1 0 336.451 2.909 20 10 EFCDRO CN1Cc2ccccc2[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000378274873 476689996 /nfs/dbraw/zinc/68/99/96/476689996.db2.gz VJNHYLPDBRLGRO-NRFANRHFSA-N 1 0 337.467 2.800 20 10 EFCDRO CN1Cc2ccccc2[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000378274875 476690131 /nfs/dbraw/zinc/69/01/31/476690131.db2.gz VJNHYLPDBRLGRO-OAQYLSRUSA-N 1 0 337.467 2.800 20 10 EFCDRO CC1(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)COC1 ZINC000375685736 476953211 /nfs/dbraw/zinc/95/32/11/476953211.db2.gz UKFNHCSLGDPYQS-UHFFFAOYSA-N 1 0 326.387 2.883 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000370773177 476978973 /nfs/dbraw/zinc/97/89/73/476978973.db2.gz MZPQRPPFRRYJKE-JXFKEZNVSA-N 1 0 337.467 2.838 20 10 EFCDRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000370832135 477001711 /nfs/dbraw/zinc/00/17/11/477001711.db2.gz XMKSIEPGKBJLQB-AWEZNQCLSA-N 1 0 345.830 2.513 20 10 EFCDRO O=C(Cc1ccco1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000371214999 477181615 /nfs/dbraw/zinc/18/16/15/477181615.db2.gz HNYLUAZHPLJZBJ-OAHLLOKOSA-N 1 0 348.830 2.962 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1O ZINC000371218050 477182505 /nfs/dbraw/zinc/18/25/05/477182505.db2.gz FDWOLLJRVARCEF-DOMZBBRYSA-N 1 0 342.233 2.820 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c1 ZINC000371834257 477518456 /nfs/dbraw/zinc/51/84/56/477518456.db2.gz IJQBEXLMWOCDKV-QGTPRVQTSA-N 1 0 334.460 2.695 20 10 EFCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c1O ZINC000377278734 477720845 /nfs/dbraw/zinc/72/08/45/477720845.db2.gz QZHNXMVAKYWODY-CYBMUJFWSA-N 1 0 337.221 2.502 20 10 EFCDRO Clc1cnn([C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000368117042 477787168 /nfs/dbraw/zinc/78/71/68/477787168.db2.gz WEAMBVPRZVGLAZ-SFHVURJKSA-N 1 0 346.862 2.820 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCCN3c4ccccc4C[C@@H]3C1)OCO2 ZINC000368219108 477791086 /nfs/dbraw/zinc/79/10/86/477791086.db2.gz YZBUDMQUXXNEBP-MRXNPFEDSA-N 1 0 338.407 2.758 20 10 EFCDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)C1 ZINC000368305720 477797170 /nfs/dbraw/zinc/79/71/70/477797170.db2.gz ZBUITTBBLZLGRA-HXUWFJFHSA-N 1 0 342.487 2.524 20 10 EFCDRO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1cc2c(cc1O)CCCC2 ZINC000368324741 477798417 /nfs/dbraw/zinc/79/84/17/477798417.db2.gz UDSGKOIAHRKDNX-JCGIZDLHSA-N 1 0 330.472 2.785 20 10 EFCDRO COC[C@H](O)CC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000368515346 477812093 /nfs/dbraw/zinc/81/20/93/477812093.db2.gz UPOYVYPPBHCHBB-HXUWFJFHSA-N 1 0 340.467 2.736 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000471671241 478007317 /nfs/dbraw/zinc/00/73/17/478007317.db2.gz MEEJHRCGYQRGOH-HOTGVXAUSA-N 1 0 340.471 2.913 20 10 EFCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](Cc1ccc(F)cc1)C(N)=O ZINC000481563193 478026043 /nfs/dbraw/zinc/02/60/43/478026043.db2.gz CPVGUYWEXISNCE-QGZVFWFLSA-N 1 0 339.414 2.812 20 10 EFCDRO C[NH+](C)CCNC(=O)c1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000527763612 478509077 /nfs/dbraw/zinc/50/90/77/478509077.db2.gz NLJBEMLCWIBFTB-UHFFFAOYSA-N 1 0 347.846 2.949 20 10 EFCDRO CCn1nncc1C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000527918645 478570934 /nfs/dbraw/zinc/57/09/34/478570934.db2.gz CHEQCVLEZLFBJG-VIFPVBQESA-N 1 0 325.210 2.617 20 10 EFCDRO CCn1nncc1C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000527919172 478571530 /nfs/dbraw/zinc/57/15/30/478571530.db2.gz FKCYBDQBHACLDD-SNVBAGLBSA-N 1 0 339.237 2.925 20 10 EFCDRO CCn1nncc1C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000527918871 478571613 /nfs/dbraw/zinc/57/16/13/478571613.db2.gz FKCYBDQBHACLDD-JTQLQIEISA-N 1 0 339.237 2.925 20 10 EFCDRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCc4c3cccc4Cl)c21 ZINC000592533337 478937721 /nfs/dbraw/zinc/93/77/21/478937721.db2.gz ASBAQCQPBTWENK-NSHDSACASA-N 1 0 330.819 2.576 20 10 EFCDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 ZINC000568149272 479120626 /nfs/dbraw/zinc/12/06/26/479120626.db2.gz HJCTZPLVNCNOAA-MRXNPFEDSA-N 1 0 343.471 2.586 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3CCC[NH2+]C3)ccc21 ZINC000653046278 481044771 /nfs/dbraw/zinc/04/47/71/481044771.db2.gz RGPPPWWKXMTQKP-MRXNPFEDSA-N 1 0 343.471 2.634 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCC[NH2+]CC3)ccc21 ZINC000653132690 481099787 /nfs/dbraw/zinc/09/97/87/481099787.db2.gz WLFHPCSBOPDSFP-QGZVFWFLSA-N 1 0 343.471 2.776 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000669573669 481218551 /nfs/dbraw/zinc/21/85/51/481218551.db2.gz ZSOMQUNHOZUTRV-HNNXBMFYSA-N 1 0 328.460 2.676 20 10 EFCDRO C[C@H]([NH2+]CCS(C)(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000178134763 533864196 /nfs/dbraw/zinc/86/41/96/533864196.db2.gz ZQEJDCDPVSPLHS-ZDUSSCGKSA-N 1 0 328.453 2.511 20 10 EFCDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000153761206 533903009 /nfs/dbraw/zinc/90/30/09/533903009.db2.gz YEDTWKFCCHTFGU-JXFKEZNVSA-N 1 0 326.440 2.907 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(=O)c3ccoc3)CC2)c1 ZINC000184979666 534203441 /nfs/dbraw/zinc/20/34/41/534203441.db2.gz QHSOTNXLHDODGX-CYBMUJFWSA-N 1 0 344.411 2.949 20 10 EFCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000297965435 522311643 /nfs/dbraw/zinc/31/16/43/522311643.db2.gz ZMBMGXBYXBMMIZ-BLLLJJGKSA-N 1 0 346.452 2.638 20 10 EFCDRO CC[C@@H]([NH2+][C@H]1CCCCNC1=O)c1cc(Br)ccc1O ZINC000036977307 522946644 /nfs/dbraw/zinc/94/66/44/522946644.db2.gz SEIXQVHPPBRQNL-OLZOCXBDSA-N 1 0 341.249 2.864 20 10 EFCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(C)n1 ZINC000165179513 534751108 /nfs/dbraw/zinc/75/11/08/534751108.db2.gz HQMOTRMTSBUFLV-ZDUSSCGKSA-N 1 0 344.434 2.920 20 10 EFCDRO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000298773801 525136211 /nfs/dbraw/zinc/13/62/11/525136211.db2.gz HCTJKEUZUNXSBG-CQSZACIVSA-N 1 0 333.453 2.802 20 10 EFCDRO CC(C)(C)OC(=O)CC[NH2+]Cc1cc(Br)ccc1O ZINC000174433899 526359849 /nfs/dbraw/zinc/35/98/49/526359849.db2.gz PXJIMPAOEBKIAT-UHFFFAOYSA-N 1 0 330.222 2.976 20 10 EFCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000174467862 527832831 /nfs/dbraw/zinc/83/28/31/527832831.db2.gz DTHRARDTSWQJGB-QGZVFWFLSA-N 1 0 340.471 2.903 20 10 EFCDRO CCOCc1cc(C[NH2+][C@H](C)C(=O)NCc2ccco2)ccc1OC ZINC000171786067 529034992 /nfs/dbraw/zinc/03/49/92/529034992.db2.gz QAGBQKGLEMCRAP-CQSZACIVSA-N 1 0 346.427 2.619 20 10 EFCDRO CC[C@@H](C)[NH+]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000297248520 535560869 /nfs/dbraw/zinc/56/08/69/535560869.db2.gz NMWOMRFCEGBXED-QGZVFWFLSA-N 1 0 342.487 2.689 20 10 EFCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000295942001 536321668 /nfs/dbraw/zinc/32/16/68/536321668.db2.gz KWGXHSGJWIIGOF-MLGOLLRUSA-N 1 0 346.452 2.638 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)c2C)cc1 ZINC000262716939 536551715 /nfs/dbraw/zinc/55/17/15/536551715.db2.gz DTBAQMHAYDMDSM-BFUOFWGJSA-N 1 0 341.455 2.831 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)c2C)cc1 ZINC000193494507 536551858 /nfs/dbraw/zinc/55/18/58/536551858.db2.gz TUJRWAJZELNYCU-AUUYWEPGSA-N 1 0 341.455 2.973 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)c2C)cc1 ZINC000262716941 536552505 /nfs/dbraw/zinc/55/25/05/536552505.db2.gz DTBAQMHAYDMDSM-ORAYPTAESA-N 1 0 341.455 2.831 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3cnccc3OC)CC2)cc1 ZINC000366439727 536669996 /nfs/dbraw/zinc/66/99/96/536669996.db2.gz YUOPADVUMNJEBH-UHFFFAOYSA-N 1 0 327.428 2.857 20 10 EFCDRO COC1CCN(c2ccc(C[N@H+](C)Cc3cnn(C)c3)cc2)CC1 ZINC000296537368 536755796 /nfs/dbraw/zinc/75/57/96/536755796.db2.gz NPFBKEGTWVPRNZ-UHFFFAOYSA-N 1 0 328.460 2.667 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)cc1OC ZINC000365835715 536856712 /nfs/dbraw/zinc/85/67/12/536856712.db2.gz GIVGOEDFRWJWHX-FQEVSTJZSA-N 1 0 343.423 2.545 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@H]1C ZINC000754740516 575481363 /nfs/dbraw/zinc/48/13/63/575481363.db2.gz UOJFZWFYJJIVKQ-IUODEOHRSA-N 1 0 335.444 2.939 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC(CC)(CC)C1)cc2=O ZINC000756023660 575673417 /nfs/dbraw/zinc/67/34/17/575673417.db2.gz PCSJBIDGVYQPEZ-UHFFFAOYSA-N 1 0 346.431 2.624 20 10 EFCDRO COC(=O)C1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000756029447 575673703 /nfs/dbraw/zinc/67/37/03/575673703.db2.gz CNDYWNLEPJBHIW-ZLPCBKJTSA-N 1 0 346.471 2.906 20 10 EFCDRO COc1cccc(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)c1O ZINC000756148867 575693313 /nfs/dbraw/zinc/69/33/13/575693313.db2.gz HBFUACBZFGHYRA-AWEZNQCLSA-N 1 0 348.349 2.574 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000756361577 575723262 /nfs/dbraw/zinc/72/32/62/575723262.db2.gz KGUMTNAFSVERBY-HNNXBMFYSA-N 1 0 334.460 2.951 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CCC(C)(C)C)C(=O)[O-])cc2)CC1 ZINC000756380853 575727017 /nfs/dbraw/zinc/72/70/17/575727017.db2.gz GXWZAWJSTZZTID-SFHVURJKSA-N 1 0 347.503 2.808 20 10 EFCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cncn3)nc2)c2c1c(F)ccc2O ZINC000756430977 575738190 /nfs/dbraw/zinc/73/81/90/575738190.db2.gz LISXHADYMCIJRB-FZMZJTMJSA-N 1 0 339.374 2.845 20 10 EFCDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000756443823 575740769 /nfs/dbraw/zinc/74/07/69/575740769.db2.gz JAKVWHWYHCGIAD-AWEZNQCLSA-N 1 0 348.468 2.601 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c(O)c1 ZINC000756469846 575743660 /nfs/dbraw/zinc/74/36/60/575743660.db2.gz LNXSQCKJUDQFOO-CYBMUJFWSA-N 1 0 334.441 2.923 20 10 EFCDRO C[C@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc(Br)cc1O ZINC000756510558 575751968 /nfs/dbraw/zinc/75/19/68/575751968.db2.gz KHOWBGRXXCJUFI-GWCFXTLKSA-N 1 0 344.249 2.593 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1cc(Br)ccc1O ZINC000756510045 575752035 /nfs/dbraw/zinc/75/20/35/575752035.db2.gz GJOWEALOGYXWKA-ZWNOBZJWSA-N 1 0 344.249 2.593 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(OC)c(O)c(OC)c2)c1 ZINC000756523213 575755042 /nfs/dbraw/zinc/75/50/42/575755042.db2.gz APVKYXZVQJGFLT-NSHDSACASA-N 1 0 333.384 2.974 20 10 EFCDRO C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(Br)cc1O ZINC000756531610 575756256 /nfs/dbraw/zinc/75/62/56/575756256.db2.gz AJNMZGKIRZUSHE-RYUDHWBXSA-N 1 0 343.265 2.526 20 10 EFCDRO C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756531964 575756267 /nfs/dbraw/zinc/75/62/67/575756267.db2.gz BYRMZKVRKSCUFE-CYBMUJFWSA-N 1 0 341.446 2.595 20 10 EFCDRO C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1cc(Br)ccc1O ZINC000756545427 575758864 /nfs/dbraw/zinc/75/88/64/575758864.db2.gz MRKPSKJZVQSMOA-NEPJUHHUSA-N 1 0 343.265 2.526 20 10 EFCDRO C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccc(Br)cc1O ZINC000756562625 575762797 /nfs/dbraw/zinc/76/27/97/575762797.db2.gz HCLGGSZHWSWETR-NWDGAFQWSA-N 1 0 344.249 2.858 20 10 EFCDRO C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccc(Br)cc1O ZINC000756562630 575762840 /nfs/dbraw/zinc/76/28/40/575762840.db2.gz HCLGGSZHWSWETR-VXGBXAGGSA-N 1 0 344.249 2.858 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(CCC(=O)N(C)C)CC2)c(O)c1C ZINC000756563298 575763255 /nfs/dbraw/zinc/76/32/55/575763255.db2.gz OCJOYYPENBJNNS-INIZCTEOSA-N 1 0 347.503 2.602 20 10 EFCDRO CCc1nncn1CC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000756619491 575768452 /nfs/dbraw/zinc/76/84/52/575768452.db2.gz GGEMHDVDSSZXCJ-SNVBAGLBSA-N 1 0 339.237 2.659 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cc2c(cc1O)CCCC2 ZINC000756640853 575771786 /nfs/dbraw/zinc/77/17/86/575771786.db2.gz PYXSGQKOKWFPDX-GFCCVEGCSA-N 1 0 325.412 2.616 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC000756661166 575773968 /nfs/dbraw/zinc/77/39/68/575773968.db2.gz YYYNYRYYRHHBJI-HIFRSBDPSA-N 1 0 332.444 2.843 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2=O)c2c1c(F)ccc2O ZINC000756713901 575780046 /nfs/dbraw/zinc/78/00/46/575780046.db2.gz ZALIUGCCVLCWLN-DVVUODLYSA-N 1 0 346.324 2.832 20 10 EFCDRO CCn1cnnc1CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000756732201 575781931 /nfs/dbraw/zinc/78/19/31/575781931.db2.gz IFBOBCBXIGEHEJ-SNVBAGLBSA-N 1 0 339.237 2.659 20 10 EFCDRO C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc(F)cc(F)c1[O-] ZINC000756764904 575785179 /nfs/dbraw/zinc/78/51/79/575785179.db2.gz LPVXDEVVJXZAKB-YMRXKLBXSA-N 1 0 340.414 2.699 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc2c(cc1O)CCCC2 ZINC000756789759 575786983 /nfs/dbraw/zinc/78/69/83/575786983.db2.gz ISBYLHZRYIICMK-CYBMUJFWSA-N 1 0 326.444 2.978 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)c2c1c(F)ccc2O ZINC000756863710 575794654 /nfs/dbraw/zinc/79/46/54/575794654.db2.gz KIHNTOYRHKVOBV-MBNYWOFBSA-N 1 0 337.391 2.591 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000757635036 575846528 /nfs/dbraw/zinc/84/65/28/575846528.db2.gz MCBNILJXVAALBD-HNAYVOBHSA-N 1 0 344.503 2.815 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000757657923 575847929 /nfs/dbraw/zinc/84/79/29/575847929.db2.gz UHGCRAULODOZCX-CJNGLKHVSA-N 1 0 337.485 2.889 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCS2(=O)=O)c2c1c(F)ccc2O ZINC000757656975 575847986 /nfs/dbraw/zinc/84/79/86/575847986.db2.gz SXDAGCFIVOVDNE-NTZNESFSSA-N 1 0 327.421 2.637 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1cc(F)ccc1O ZINC000757659708 575848203 /nfs/dbraw/zinc/84/82/03/575848203.db2.gz ZLFIWYVDCVPENS-GUYCJALGSA-N 1 0 343.402 2.768 20 10 EFCDRO CCOc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)c(O)c1 ZINC000757877337 575855040 /nfs/dbraw/zinc/85/50/40/575855040.db2.gz YYCQQKJUSNKEPU-UHFFFAOYSA-N 1 0 327.428 2.504 20 10 EFCDRO C[N@H+](Cc1c(O)ccc2cc(Br)ccc21)[C@H]1CCNC1=O ZINC000758411069 575869092 /nfs/dbraw/zinc/86/90/92/575869092.db2.gz ZEERSMVLJIDRBN-AWEZNQCLSA-N 1 0 349.228 2.628 20 10 EFCDRO COc1cccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1O ZINC000758521243 575871477 /nfs/dbraw/zinc/87/14/77/575871477.db2.gz ARLQWKLBJDZFHW-QFBILLFUSA-N 1 0 331.387 2.796 20 10 EFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000758773319 575877329 /nfs/dbraw/zinc/87/73/29/575877329.db2.gz DIMSTYUVCQEOFO-QGZVFWFLSA-N 1 0 332.492 2.735 20 10 EFCDRO O=C(NCCCSc1nccs1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000759561165 575900919 /nfs/dbraw/zinc/90/09/19/575900919.db2.gz CSIRFYNGGAOBSO-STQMWFEESA-N 1 0 340.518 2.551 20 10 EFCDRO CCC1(CC)[C@@H]([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1OC ZINC000759601533 575907480 /nfs/dbraw/zinc/90/74/80/575907480.db2.gz NWKBJMAFDPRGJP-ROUUACIJSA-N 1 0 347.503 2.552 20 10 EFCDRO C[C@@H]([NH2+][C@H](CO)CC(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000760035692 575974357 /nfs/dbraw/zinc/97/43/57/575974357.db2.gz CPNWACIUHVKMFS-NEPJUHHUSA-N 1 0 348.821 2.843 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]CCC(=O)Nc2ccccn2)c1O ZINC000761199211 576128497 /nfs/dbraw/zinc/12/84/97/576128497.db2.gz ZIOBMBWZIOBOAH-UHFFFAOYSA-N 1 0 335.791 2.568 20 10 EFCDRO COc1cc(Cl)cc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c1O ZINC000761206285 576129714 /nfs/dbraw/zinc/12/97/14/576129714.db2.gz VLQJDBNEQDTWPR-HNNXBMFYSA-N 1 0 341.835 2.824 20 10 EFCDRO COc1cccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)c1O ZINC000761222753 576131766 /nfs/dbraw/zinc/13/17/66/576131766.db2.gz VGXVXLFJQVFZGR-UHFFFAOYSA-N 1 0 330.428 2.978 20 10 EFCDRO Cc1ccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)nc1 ZINC000761787432 576212674 /nfs/dbraw/zinc/21/26/74/576212674.db2.gz WINVTCAFOOLICA-NTEUORMPSA-N 1 0 333.482 2.685 20 10 EFCDRO Oc1cc2c(cc1C[NH+]1CCC(c3ccncc3)CC1)[C@H](O)CO2 ZINC000762094882 576255669 /nfs/dbraw/zinc/25/56/69/576255669.db2.gz AIJZJCROCUIUHT-GOSISDBHSA-N 1 0 326.396 2.593 20 10 EFCDRO C[C@H]([NH2+]CCC1CC(O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000762652747 576321406 /nfs/dbraw/zinc/32/14/06/576321406.db2.gz XWBYDNQRJFABJI-HLIUYOAVSA-N 1 0 338.879 2.988 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H](S(C)(=O)=O)C3)c2c1 ZINC000763379826 576374992 /nfs/dbraw/zinc/37/49/92/576374992.db2.gz GCOFEEJPXVLMGK-OAHLLOKOSA-N 1 0 349.452 2.563 20 10 EFCDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1Cl ZINC000763396551 576375717 /nfs/dbraw/zinc/37/57/17/576375717.db2.gz ATPYOIHABHVYDW-UHFFFAOYSA-N 1 0 343.807 2.878 20 10 EFCDRO CCN(CC)c1ccc(CN(C)C(=O)C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000763434438 576377381 /nfs/dbraw/zinc/37/73/81/576377381.db2.gz QMKQWUUJDFJXJH-GOSISDBHSA-N 1 0 349.544 2.929 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000764849890 576511705 /nfs/dbraw/zinc/51/17/05/576511705.db2.gz IVAAGOKGZCUZBA-IBGZPJMESA-N 1 0 344.503 2.877 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(N2CCOCC2)cc1 ZINC000764865925 576514449 /nfs/dbraw/zinc/51/44/49/576514449.db2.gz YLGXKPFQKIIPFQ-INIZCTEOSA-N 1 0 340.471 2.835 20 10 EFCDRO COC[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CC1 ZINC000765128958 577010304 /nfs/dbraw/zinc/01/03/04/577010304.db2.gz YXCXSVXDRSHJDW-LBTNJELSSA-N 1 0 336.451 2.954 20 10 EFCDRO CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000765241538 577022481 /nfs/dbraw/zinc/02/24/81/577022481.db2.gz XPTBKIZHMYCVAQ-HNNXBMFYSA-N 1 0 341.455 2.728 20 10 EFCDRO CCCC[C@H](COC)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000765254435 577023559 /nfs/dbraw/zinc/02/35/59/577023559.db2.gz MQJDWEQSOHHSHY-ZWKOTPCHSA-N 1 0 347.503 2.683 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccco1 ZINC000765254562 577023673 /nfs/dbraw/zinc/02/36/73/577023673.db2.gz NMVRLGAOIZCDTK-HOCLYGCPSA-N 1 0 327.428 2.832 20 10 EFCDRO C[C@@H]([NH2+]CCOCC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000765361695 577035050 /nfs/dbraw/zinc/03/50/50/577035050.db2.gz AVIVVWHYQCUGLZ-CYBMUJFWSA-N 1 0 332.366 2.753 20 10 EFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)cc1 ZINC000765410918 577039066 /nfs/dbraw/zinc/03/90/66/577039066.db2.gz VHHIOXUQGHMAAE-CQSZACIVSA-N 1 0 341.521 2.511 20 10 EFCDRO C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765435696 577041895 /nfs/dbraw/zinc/04/18/95/577041895.db2.gz ASAMHRXLKSFEHO-HUUCEWRRSA-N 1 0 344.434 2.734 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccc(N2CCOCC2)cc1 ZINC000765437088 577042295 /nfs/dbraw/zinc/04/22/95/577042295.db2.gz DOMDWUYRSVLGMR-JKSUJKDBSA-N 1 0 326.444 2.595 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765781184 577076310 /nfs/dbraw/zinc/07/63/10/577076310.db2.gz OBJWXSGJWFTIEF-ZBFHGGJFSA-N 1 0 333.451 2.550 20 10 EFCDRO C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765937474 577090146 /nfs/dbraw/zinc/09/01/46/577090146.db2.gz VPRJWBWHNLNXDY-FZKQIMNGSA-N 1 0 338.879 2.988 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)o1 ZINC000765980834 577095067 /nfs/dbraw/zinc/09/50/67/577095067.db2.gz SMYUJSDHCXZHSZ-OAHLLOKOSA-N 1 0 348.468 2.674 20 10 EFCDRO Fc1cc(C[NH2+]C[C@H]2CCCCN2C2CC2)ccc1N1CCOCC1 ZINC000766226599 577123912 /nfs/dbraw/zinc/12/39/12/577123912.db2.gz SIXCMSZLRLFOLK-GOSISDBHSA-N 1 0 347.478 2.769 20 10 EFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000766252637 577127605 /nfs/dbraw/zinc/12/76/05/577127605.db2.gz RLZAFHBNCXKEBG-KBPBESRZSA-N 1 0 336.455 2.516 20 10 EFCDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000766252649 577127668 /nfs/dbraw/zinc/12/76/68/577127668.db2.gz RLZAFHBNCXKEBG-UONOGXRCSA-N 1 0 336.455 2.516 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cc(C)oc3C)CC2)cc1 ZINC000767349006 577205658 /nfs/dbraw/zinc/20/56/58/577205658.db2.gz MWMSXNRUZBCATH-UHFFFAOYSA-N 1 0 343.471 2.817 20 10 EFCDRO C[C@](O)(C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1)C(F)(F)F ZINC000767509767 577210530 /nfs/dbraw/zinc/21/05/30/577210530.db2.gz HRNXDAGKRBOLBO-HNNXBMFYSA-N 1 0 347.333 2.646 20 10 EFCDRO C[C@@](O)(C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1)C(F)(F)F ZINC000767509771 577210539 /nfs/dbraw/zinc/21/05/39/577210539.db2.gz HRNXDAGKRBOLBO-OAHLLOKOSA-N 1 0 347.333 2.646 20 10 EFCDRO CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1O ZINC000725841513 577243756 /nfs/dbraw/zinc/24/37/56/577243756.db2.gz LRTZNNSEGABEDF-GOSISDBHSA-N 1 0 326.440 2.962 20 10 EFCDRO CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1O ZINC000725841515 577243764 /nfs/dbraw/zinc/24/37/64/577243764.db2.gz LRTZNNSEGABEDF-SFHVURJKSA-N 1 0 326.440 2.962 20 10 EFCDRO CCOc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c(O)c1 ZINC000725846276 577247044 /nfs/dbraw/zinc/24/70/44/577247044.db2.gz BKRKLQJYIXCYOZ-HNNXBMFYSA-N 1 0 333.403 2.871 20 10 EFCDRO COc1cccc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000725846670 577247186 /nfs/dbraw/zinc/24/71/86/577247186.db2.gz OMCBMSMDSADGNS-MRXNPFEDSA-N 1 0 328.412 2.710 20 10 EFCDRO Cc1nccn1CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725850165 577250000 /nfs/dbraw/zinc/25/00/00/577250000.db2.gz OLBZFCFOBMFHJM-UHFFFAOYSA-N 1 0 343.431 2.880 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH+]2CCC(CO)CC2)ccc1N1CCCCC1 ZINC000768241122 577262545 /nfs/dbraw/zinc/26/25/45/577262545.db2.gz JOFVXVOFCKLSDS-UHFFFAOYSA-N 1 0 333.432 2.789 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)c(O)c1 ZINC000768249679 577262982 /nfs/dbraw/zinc/26/29/82/577262982.db2.gz ZOOOJOIVTLXRDJ-KRWDZBQOSA-N 1 0 344.411 2.665 20 10 EFCDRO CC(C)CCOC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768439926 577273472 /nfs/dbraw/zinc/27/34/72/577273472.db2.gz QCKKNVNDKBSZCQ-GOSISDBHSA-N 1 0 335.444 2.845 20 10 EFCDRO Oc1cc2c(cc1CN1CC[NH+](CC3CCCCC3)CC1)[C@H](O)CO2 ZINC000768440639 577273792 /nfs/dbraw/zinc/27/37/92/577273792.db2.gz SDSMKKLUZDWTFE-LJQANCHMSA-N 1 0 346.471 2.516 20 10 EFCDRO CC1CCC([NH+]2CCN(Cc3cc4c(cc3O)OC[C@@H]4O)CC2)CC1 ZINC000768445008 577274166 /nfs/dbraw/zinc/27/41/66/577274166.db2.gz DXJJZVAIDACBKK-KJXMEXGPSA-N 1 0 346.471 2.514 20 10 EFCDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768448339 577274756 /nfs/dbraw/zinc/27/47/56/577274756.db2.gz UMMUVAWGJLRVJU-FZKQIMNGSA-N 1 0 341.407 2.816 20 10 EFCDRO COc1ccc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)cc1C ZINC000768453618 577275182 /nfs/dbraw/zinc/27/51/82/577275182.db2.gz ZXONJCAMNXDXLO-KRWDZBQOSA-N 1 0 329.396 2.767 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCOC3(C1)CCCCCC3)[C@H](O)CO2 ZINC000768461297 577275734 /nfs/dbraw/zinc/27/57/34/577275734.db2.gz AGJVAISZDGEUJR-QGZVFWFLSA-N 1 0 333.428 2.743 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccc(F)cc3)C1)[C@H](O)CO2 ZINC000768463404 577275986 /nfs/dbraw/zinc/27/59/86/577275986.db2.gz IEYYJCNZIHRDNK-FZKQIMNGSA-N 1 0 329.371 2.947 20 10 EFCDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000768676542 577294434 /nfs/dbraw/zinc/29/44/34/577294434.db2.gz DQZXUEKDAQRWLC-BZUAXINKSA-N 1 0 346.450 2.814 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](CO)Cc3ccco3)CC2)cc1 ZINC000768840510 577308138 /nfs/dbraw/zinc/30/81/38/577308138.db2.gz FQAQNOLEPIBYQS-INIZCTEOSA-N 1 0 344.455 2.698 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000768899480 577315203 /nfs/dbraw/zinc/31/52/03/577315203.db2.gz CEKCOBUMONFDBZ-UHFFFAOYSA-N 1 0 340.427 2.983 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000768902525 577315443 /nfs/dbraw/zinc/31/54/43/577315443.db2.gz WBLPPXFFZZSQAH-UHFFFAOYSA-N 1 0 343.383 2.631 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c(O)c1 ZINC000769189590 577343109 /nfs/dbraw/zinc/34/31/09/577343109.db2.gz NDBXIKGUWLGQPU-GOSISDBHSA-N 1 0 335.444 2.951 20 10 EFCDRO CC1(C)CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000769191587 577343310 /nfs/dbraw/zinc/34/33/10/577343310.db2.gz ANVOUAWJJMDVOM-UHFFFAOYSA-N 1 0 332.448 2.769 20 10 EFCDRO COc1cccc(O)c1C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769335547 577353136 /nfs/dbraw/zinc/35/31/36/577353136.db2.gz ZKQBVJVQLMUCPA-ZDUSSCGKSA-N 1 0 336.432 2.842 20 10 EFCDRO CCOc1ccc(C[N@H+](C)[C@H](CO)c2ccc(OC)cc2)c(O)c1 ZINC000769425201 577361775 /nfs/dbraw/zinc/36/17/75/577361775.db2.gz OKENEBDHCCTPJF-GOSISDBHSA-N 1 0 331.412 2.965 20 10 EFCDRO COc1cc(Br)cc(CN2CCCOC[C@H]2C)c1O ZINC000769458434 577363378 /nfs/dbraw/zinc/36/33/78/577363378.db2.gz UQYBWANWEYEAID-SNVBAGLBSA-N 1 0 330.222 2.774 20 10 EFCDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC000769470634 577365095 /nfs/dbraw/zinc/36/50/95/577365095.db2.gz MLYQOMSBTQJHAE-FUHWJXTLSA-N 1 0 349.494 2.967 20 10 EFCDRO CCOc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c(O)c1 ZINC000769482882 577365932 /nfs/dbraw/zinc/36/59/32/577365932.db2.gz KPPRMSZOPWQYDF-DOTOQJQBSA-N 1 0 341.473 2.579 20 10 EFCDRO COC1CC([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000769488273 577366710 /nfs/dbraw/zinc/36/67/10/577366710.db2.gz BFHXLBMIUGAXNI-UHFFFAOYSA-N 1 0 344.377 2.809 20 10 EFCDRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1ccccc1O ZINC000769492884 577366954 /nfs/dbraw/zinc/36/69/54/577366954.db2.gz CJWWZSYBUDBPEN-AWEZNQCLSA-N 1 0 328.412 2.828 20 10 EFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C3CC(C(F)F)C3)cc2)C1 ZINC000769541212 577371391 /nfs/dbraw/zinc/37/13/91/577371391.db2.gz RDOKVUHRAWNSGR-NFOMZHRRSA-N 1 0 337.414 2.522 20 10 EFCDRO Fc1cc(C[N@@H+]2CCC3(C2)CCOCC3)ccc1N1CCOCC1 ZINC000769540525 577371437 /nfs/dbraw/zinc/37/14/37/577371437.db2.gz RMJIPMGCYSMILW-UHFFFAOYSA-N 1 0 334.435 2.665 20 10 EFCDRO Cn1cc(C[NH2+]Cc2ccccc2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000726605810 577375175 /nfs/dbraw/zinc/37/51/75/577375175.db2.gz JXXMSKTZAIZCEW-UHFFFAOYSA-N 1 0 338.367 2.991 20 10 EFCDRO COc1ccc(N2CCC(NC(=O)NC[C@@H]3CCCCO3)CC2)cc1 ZINC000726708936 577381048 /nfs/dbraw/zinc/38/10/48/577381048.db2.gz SJXRKXLEIJSSSS-SFHVURJKSA-N 1 0 347.459 2.532 20 10 EFCDRO CCC[C@@H]1CN(Cc2ccc(OCC)cc2O)CC[N@@H+]1CCOC ZINC000770284467 577409828 /nfs/dbraw/zinc/40/98/28/577409828.db2.gz REPGEIJBIPJFQS-QGZVFWFLSA-N 1 0 336.476 2.724 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000770629811 581118573 /nfs/dbraw/zinc/11/85/73/581118573.db2.gz LNZKRBWSJVSBJH-CYBMUJFWSA-N 1 0 347.459 2.635 20 10 EFCDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCCOC1 ZINC000770673003 581124245 /nfs/dbraw/zinc/12/42/45/581124245.db2.gz DUVUCKPRFDATLG-FQEVSTJZSA-N 1 0 346.471 2.879 20 10 EFCDRO COC(=O)c1ccc(/C=C\c2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC000771517049 581220049 /nfs/dbraw/zinc/22/00/49/581220049.db2.gz BLWZJTNPQZQEMJ-CLTKARDFSA-N 1 0 337.423 2.790 20 10 EFCDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](CO)C2)ccc1N1CCCCC1 ZINC000771929350 581261137 /nfs/dbraw/zinc/26/11/37/581261137.db2.gz XMWGGNRJCXLSLT-INIZCTEOSA-N 1 0 333.432 2.789 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCc4n[nH]cc4C3)CC2)cc1 ZINC000773056977 581391667 /nfs/dbraw/zinc/39/16/67/581391667.db2.gz BLEPZTAUDBGKQD-INIZCTEOSA-N 1 0 326.444 2.534 20 10 EFCDRO C[C@H](NC(=O)NCC[NH+]1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000773216957 581406459 /nfs/dbraw/zinc/40/64/59/581406459.db2.gz GPICGVQHRHDMPL-INIZCTEOSA-N 1 0 332.492 2.845 20 10 EFCDRO O=C(Cc1ccoc1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000773407389 581427644 /nfs/dbraw/zinc/42/76/44/581427644.db2.gz LPBYSCOFSMMPMA-INIZCTEOSA-N 1 0 348.830 2.962 20 10 EFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C[C@@H]1C ZINC000773616072 581450683 /nfs/dbraw/zinc/45/06/83/581450683.db2.gz HGNCQDUSHTXRQA-HRCADAONSA-N 1 0 332.492 2.938 20 10 EFCDRO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773615257 581450718 /nfs/dbraw/zinc/45/07/18/581450718.db2.gz VRNHOMBCZOIQHY-CRAIPNDOSA-N 1 0 332.492 2.939 20 10 EFCDRO CCN(C)c1ccc(C[NH+]2CCN(c3cc(OC)ccn3)CC2)cc1 ZINC000773758264 581461996 /nfs/dbraw/zinc/46/19/96/581461996.db2.gz QAKJSZJQPQOKSD-UHFFFAOYSA-N 1 0 340.471 2.869 20 10 EFCDRO CCN(C)c1ccc(C[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000773757879 581462085 /nfs/dbraw/zinc/46/20/85/581462085.db2.gz QZAFLKQWFHZJLR-HNNXBMFYSA-N 1 0 343.393 2.738 20 10 EFCDRO COc1c([O-])c(C[N@H+](C)CCN(C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000774880051 581503009 /nfs/dbraw/zinc/50/30/09/581503009.db2.gz FCSSHLZJFYWTSX-UHFFFAOYSA-N 1 0 345.399 2.877 20 10 EFCDRO C[C@H]([NH2+]Cc1ccnn1CC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000850077111 1250265135 /nfs/dbraw/zinc/26/51/35/1250265135.db2.gz JQHRQNFVYZDZPR-INIZCTEOSA-N 1 0 340.471 2.981 20 10 EFCDRO COc1cc(C[NH2+]CCN2CCO[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850119617 1250292366 /nfs/dbraw/zinc/29/23/66/1250292366.db2.gz PREWEQOYZZZHEZ-AWEZNQCLSA-N 1 0 336.476 2.509 20 10 EFCDRO COc1cc(C[NH2+]CC2(C(N)=O)CCCC2)c(O)c(C(C)(C)C)c1 ZINC000850139486 1250307509 /nfs/dbraw/zinc/30/75/09/1250307509.db2.gz QGZBOQPLJVCZKS-UHFFFAOYSA-N 1 0 334.460 2.834 20 10 EFCDRO COc1cc(C[NH2+][C@@H](C)CO[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850180823 1250339561 /nfs/dbraw/zinc/33/95/61/1250339561.db2.gz IDVFOZCFTHXEAU-ZFWWWQNUSA-N 1 0 337.460 2.982 20 10 EFCDRO COc1cc(C[NH2+][C@H](C)[C@@H]2CN(C)CCO2)c(O)c(C(C)(C)C)c1 ZINC000850198653 1250349938 /nfs/dbraw/zinc/34/99/38/1250349938.db2.gz LCUJEYQHNBHZJF-DYVFJYSZSA-N 1 0 336.476 2.507 20 10 EFCDRO CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(F)ccc3O)C2)C1=O ZINC001273283916 1265475263 /nfs/dbraw/zinc/47/52/63/1265475263.db2.gz CBXSCKKUKJZJKH-ORAYPTAESA-N 1 0 348.418 2.671 20 10 EFCDRO COCCn1cc(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)cn1 ZINC000850284213 1250397765 /nfs/dbraw/zinc/39/77/65/1250397765.db2.gz AQTDSRGRCDCGSY-UHFFFAOYSA-N 1 0 347.459 2.831 20 10 EFCDRO COCC1([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CCOCC1 ZINC000850310365 1250419798 /nfs/dbraw/zinc/41/97/98/1250419798.db2.gz USUPKMFHLOYHKN-UHFFFAOYSA-N 1 0 337.460 2.984 20 10 EFCDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000850357008 1250447765 /nfs/dbraw/zinc/44/77/65/1250447765.db2.gz VZRRVWHYNZBGSC-JMERFSKESA-N 1 0 346.290 2.934 20 10 EFCDRO C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000850386194 1250457346 /nfs/dbraw/zinc/45/73/46/1250457346.db2.gz HFRRYKBIFCMTLW-IBGZPJMESA-N 1 0 344.547 2.648 20 10 EFCDRO C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000850385810 1250458497 /nfs/dbraw/zinc/45/84/97/1250458497.db2.gz BZQPZTGJVNQUGR-KRWDZBQOSA-N 1 0 349.494 2.872 20 10 EFCDRO CCOCc1cc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)ccc1OC ZINC000850396140 1250464429 /nfs/dbraw/zinc/46/44/29/1250464429.db2.gz HDBIKNSOZZRNJJ-INIZCTEOSA-N 1 0 348.487 2.968 20 10 EFCDRO CCOc1cccc(C[NH2+]CC2(CC(=O)NC)CCCCC2)c1O ZINC000850399876 1250464481 /nfs/dbraw/zinc/46/44/81/1250464481.db2.gz TWKNXMBXJKOFHJ-UHFFFAOYSA-N 1 0 334.460 2.967 20 10 EFCDRO CC(C)n1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000850405759 1250468394 /nfs/dbraw/zinc/46/83/94/1250468394.db2.gz CJVQBUBWPPALBL-UHFFFAOYSA-N 1 0 328.460 2.715 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc4c(c3)COC4)cc2)CC1 ZINC000850406166 1250468443 /nfs/dbraw/zinc/46/84/43/1250468443.db2.gz VCCJUAMVAXQYSY-UHFFFAOYSA-N 1 0 338.451 2.968 20 10 EFCDRO CCC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCOCC1 ZINC000850406867 1250470163 /nfs/dbraw/zinc/47/01/63/1250470163.db2.gz XEIFPDNEVVBKFP-UHFFFAOYSA-N 1 0 332.488 2.944 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cnc4ccccn34)cc2)CC1 ZINC000850406191 1250470313 /nfs/dbraw/zinc/47/03/13/1250470313.db2.gz WIHJTRRZXBPPCT-UHFFFAOYSA-N 1 0 336.439 2.585 20 10 EFCDRO O=C1NCCCN1c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000850413290 1250473713 /nfs/dbraw/zinc/47/37/13/1250473713.db2.gz KIWKUICBZJXTKM-UHFFFAOYSA-N 1 0 337.423 2.831 20 10 EFCDRO COC1([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CCC1 ZINC000850426600 1250481059 /nfs/dbraw/zinc/48/10/59/1250481059.db2.gz DNTXJPCGGBNYIA-CQSZACIVSA-N 1 0 336.451 2.834 20 10 EFCDRO OCC1CCN(c2ccc(C[NH2+][C@H]3CCCn4nccc43)cc2)CC1 ZINC000850426229 1250481304 /nfs/dbraw/zinc/48/13/04/1250481304.db2.gz BROKVDIBSWAFCC-IBGZPJMESA-N 1 0 340.471 2.717 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(N2CCOCC2)cc1 ZINC000850428138 1250486169 /nfs/dbraw/zinc/48/61/69/1250486169.db2.gz KQPXLKHRKKCIPM-YJBOKZPZSA-N 1 0 326.444 2.905 20 10 EFCDRO COc1ccc(N2C[C@H]([NH2+][C@H](C)c3cc(F)ccc3O)CC2=O)cc1 ZINC000850516098 1250520189 /nfs/dbraw/zinc/52/01/89/1250520189.db2.gz SLIDONFHKCOEDL-TZMCWYRMSA-N 1 0 344.386 2.996 20 10 EFCDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000850547387 1250530360 /nfs/dbraw/zinc/53/03/60/1250530360.db2.gz FKBVLIRNFDCINY-VIFPVBQESA-N 1 0 331.210 2.504 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]C2CCN([C@H]3CCOC3)CC2)c2c1c(F)ccc2O ZINC000850557746 1250536337 /nfs/dbraw/zinc/53/63/37/1250536337.db2.gz SDWBYCLMQHGQTN-INWMFGNUSA-N 1 0 334.435 2.923 20 10 EFCDRO C[C@H](CC1CCOCC1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565870 1250538650 /nfs/dbraw/zinc/53/86/50/1250538650.db2.gz IPMXDDYRGALOEE-MRXNPFEDSA-N 1 0 332.488 2.943 20 10 EFCDRO COC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000850567431 1250538774 /nfs/dbraw/zinc/53/87/74/1250538774.db2.gz BXKGYXWDIUYZGG-FQEVSTJZSA-N 1 0 332.488 2.943 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cnn(C)c1 ZINC000850566375 1250538853 /nfs/dbraw/zinc/53/88/53/1250538853.db2.gz MWMNUWWONSUDAD-LJQANCHMSA-N 1 0 328.460 2.622 20 10 EFCDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000850565841 1250539348 /nfs/dbraw/zinc/53/93/48/1250539348.db2.gz IFQHSSGUOBCPSS-QUCCMNQESA-N 1 0 332.488 2.941 20 10 EFCDRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566652 1250539417 /nfs/dbraw/zinc/53/94/17/1250539417.db2.gz QLJOZDUMRZXOEN-AWEZNQCLSA-N 1 0 328.460 2.540 20 10 EFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000850565583 1250539579 /nfs/dbraw/zinc/53/95/79/1250539579.db2.gz GRSFAUTWZNVKRK-RBUKOAKNSA-N 1 0 332.488 2.941 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cc2)CC1 ZINC000850566464 1250539650 /nfs/dbraw/zinc/53/96/50/1250539650.db2.gz NUJJJEYNZCUFJR-XUVXKRRUSA-N 1 0 342.483 2.695 20 10 EFCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567798 1250540895 /nfs/dbraw/zinc/54/08/95/1250540895.db2.gz JGWBWIZWVDCKMU-OAHLLOKOSA-N 1 0 348.487 2.858 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1nccn1C ZINC000850567898 1250541266 /nfs/dbraw/zinc/54/12/66/1250541266.db2.gz LOWDNCDWRPFMKU-SFHVURJKSA-N 1 0 328.460 2.622 20 10 EFCDRO Nc1ccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000586046068 1250647494 /nfs/dbraw/zinc/64/74/94/1250647494.db2.gz ICYMDTKPBQUJJZ-UHFFFAOYSA-N 1 0 327.403 2.802 20 10 EFCDRO CN(CCCC[NH+]1CCCCC1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000922324182 1265547217 /nfs/dbraw/zinc/54/72/17/1265547217.db2.gz RSQKGOVEGZKIJG-NTMALXAHSA-N 1 0 332.444 2.836 20 10 EFCDRO CCN(CC)c1ccc(CN(C)C(=O)NCC2([NH3+])CCCC2)cc1 ZINC000851671305 1251195666 /nfs/dbraw/zinc/19/56/66/1251195666.db2.gz KTAZDGXQRJWQNS-UHFFFAOYSA-N 1 0 332.492 2.946 20 10 EFCDRO COc1cc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)sn1 ZINC000851733027 1251233015 /nfs/dbraw/zinc/23/30/15/1251233015.db2.gz HTOSWTXOGLYJKP-UHFFFAOYSA-N 1 0 333.457 2.873 20 10 EFCDRO C[S@](=O)C1(C[NH2+]Cc2c(O)cccc2Br)CCC1 ZINC000706804675 1251264208 /nfs/dbraw/zinc/26/42/08/1251264208.db2.gz NJZICNLTYDNJAZ-SFHVURJKSA-N 1 0 332.263 2.546 20 10 EFCDRO CCC[C@H]1CCCC[N@@H+]1Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000185851674 1253111815 /nfs/dbraw/zinc/11/18/15/1253111815.db2.gz XFDRCIDQTXLJIR-AWEZNQCLSA-N 1 0 346.431 2.766 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)[C@H]3C[C@@H]3C)CC2(C)C)cc1C ZINC000996157083 1255058293 /nfs/dbraw/zinc/05/82/93/1255058293.db2.gz DDMJCOJRPNUJIY-OWQGQXMQSA-N 1 0 330.472 2.986 20 10 EFCDRO CCC[NH2+][C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1(C)C ZINC000996689003 1255747816 /nfs/dbraw/zinc/74/78/16/1255747816.db2.gz OARNYBSKMRIGJG-CQSZACIVSA-N 1 0 331.420 2.699 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CO[C@@H](C)C3)CC2)cc1C ZINC000996748280 1255931761 /nfs/dbraw/zinc/93/17/61/1255931761.db2.gz PYAZRXXXCPQQGH-RDJZCZTQSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCO[C@@H]3C)CC2)cc1C ZINC000997122813 1256984671 /nfs/dbraw/zinc/98/46/71/1256984671.db2.gz DTTMDQPSNQZGTL-QAPCUYQASA-N 1 0 346.471 2.509 20 10 EFCDRO COc1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)ccc1OCCO ZINC000921555676 1257303259 /nfs/dbraw/zinc/30/32/59/1257303259.db2.gz FUVCQXGSVKKKMQ-UHFFFAOYSA-N 1 0 343.423 2.681 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2c(F)cccc2OC)cc1C ZINC001127940421 1257427501 /nfs/dbraw/zinc/42/75/01/1257427501.db2.gz AVTDAFJUUWQPIW-UHFFFAOYSA-N 1 0 346.402 2.671 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCC([NH2+]CCC3CC3)CC2)cc1 ZINC000997393284 1257567781 /nfs/dbraw/zinc/56/77/81/1257567781.db2.gz YWKWFZYXDMNFAQ-UHFFFAOYSA-N 1 0 343.431 2.843 20 10 EFCDRO COC(C)(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C)cc2O)C1=O ZINC001272765010 1257678117 /nfs/dbraw/zinc/67/81/17/1257678117.db2.gz GGFQDUJCLOABNW-HXUWFJFHSA-N 1 0 346.471 2.693 20 10 EFCDRO COc1ccc(C[NH2+]CC2CCN(C(=O)C(C)(F)F)CC2)cc1C ZINC000997472519 1257697340 /nfs/dbraw/zinc/69/73/40/1257697340.db2.gz AZBDCAROBKHIOV-UHFFFAOYSA-N 1 0 340.414 2.987 20 10 EFCDRO CCCCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(C)cc1O)C2 ZINC001272766231 1257700858 /nfs/dbraw/zinc/70/08/58/1257700858.db2.gz MSLUUCADYHAHNE-HXUWFJFHSA-N 1 0 346.471 2.552 20 10 EFCDRO Cn1cnc2cc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)ccc21 ZINC000922482915 1266133389 /nfs/dbraw/zinc/13/33/89/1266133389.db2.gz RBABRLGYLPAZME-UHFFFAOYSA-N 1 0 336.439 2.700 20 10 EFCDRO Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC(F)F)CC2)c(O)c1 ZINC001272767318 1257728882 /nfs/dbraw/zinc/72/88/82/1257728882.db2.gz ZUXDMTISPHKPDU-CQSZACIVSA-N 1 0 338.398 2.684 20 10 EFCDRO COc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCO3)CC2)cc1C ZINC000997519571 1257840909 /nfs/dbraw/zinc/84/09/09/1257840909.db2.gz KQVDOASLFGGPMR-LJQANCHMSA-N 1 0 346.471 2.511 20 10 EFCDRO C(=C/[NH+]1CCCC1)\c1cccnc1-c1noc(-c2csnn2)n1 ZINC001212364546 1258027438 /nfs/dbraw/zinc/02/74/38/1258027438.db2.gz SSFQMJTYHUKSML-WEVVVXLNSA-N 1 0 326.385 2.717 20 10 EFCDRO COc1ccc(C[NH2+]CC2CCN(C(=O)c3cc[nH]c3)CC2)cc1C ZINC000997798643 1258437331 /nfs/dbraw/zinc/43/73/31/1258437331.db2.gz VVQJVURFUKOEIU-UHFFFAOYSA-N 1 0 341.455 2.974 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(C)=O)CC[C@@H]2C(F)(F)F)cc1C ZINC000998229352 1259272321 /nfs/dbraw/zinc/27/23/21/1259272321.db2.gz WYBVZSZUVCFGPY-LSDHHAIUSA-N 1 0 344.377 2.893 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C)SC)C2)cc1C ZINC000998602081 1259732210 /nfs/dbraw/zinc/73/22/10/1259732210.db2.gz RRKZHTDINLRCSR-GOEBONIOSA-N 1 0 336.501 2.836 20 10 EFCDRO CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001036599964 1259746965 /nfs/dbraw/zinc/74/69/65/1259746965.db2.gz RTBHDXKUHDAONL-IUODEOHRSA-N 1 0 331.420 2.699 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](OC)C3CC3)C2)cc1C ZINC000999045730 1260177031 /nfs/dbraw/zinc/17/70/31/1260177031.db2.gz KOSJUHJMLVIYGG-IEBWSBKVSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3cc(F)c[nH]3)C2)cc1C ZINC000999127182 1260217570 /nfs/dbraw/zinc/21/75/70/1260217570.db2.gz BQLNNINVIBUGNU-UHFFFAOYSA-N 1 0 345.418 2.864 20 10 EFCDRO C[N@@H+]1CCN(Cc2cc3c(cc2O)OCO3)[C@H](c2ccccc2)C1 ZINC000054519352 1260310789 /nfs/dbraw/zinc/31/07/89/1260310789.db2.gz AXZWLWBMJQVFBB-INIZCTEOSA-N 1 0 326.396 2.610 20 10 EFCDRO CCCC[NH+]1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001004240030 1266340615 /nfs/dbraw/zinc/34/06/15/1266340615.db2.gz FVQLOSIMCMOIGB-UHFFFAOYSA-N 1 0 331.420 2.843 20 10 EFCDRO CC(C)=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001272903346 1261296235 /nfs/dbraw/zinc/29/62/35/1261296235.db2.gz RBGATDNRLWSHTN-INIZCTEOSA-N 1 0 344.455 2.782 20 10 EFCDRO CC(C)CN1CCC2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)C1=O ZINC001272903312 1261296321 /nfs/dbraw/zinc/29/63/21/1261296321.db2.gz QKFIPOMUKWSXND-UHFFFAOYSA-N 1 0 332.444 2.568 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]([NH2+]CC3CCC3)C2)cc1 ZINC001001029512 1261813335 /nfs/dbraw/zinc/81/33/35/1261813335.db2.gz DQIPUENEBZPYMH-INIZCTEOSA-N 1 0 343.431 2.843 20 10 EFCDRO CC(C)[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C12CCC2 ZINC001078823683 1262411775 /nfs/dbraw/zinc/41/17/75/1262411775.db2.gz RZNZYRQOCPQIHT-HUUCEWRRSA-N 1 0 343.431 2.888 20 10 EFCDRO O=C(C1CCCC1)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921850385 1262627038 /nfs/dbraw/zinc/62/70/38/1262627038.db2.gz SSQIASPZHSDYOM-GOSISDBHSA-N 1 0 328.456 2.892 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[C@@H](C)O3)C[C@H]2C)cc1C ZINC001082754073 1263319730 /nfs/dbraw/zinc/31/97/30/1263319730.db2.gz GQJKTJXVZRUNRZ-FXRXJOCMSA-N 1 0 346.471 2.508 20 10 EFCDRO Cc1cc(C[N@@H+]2CCC[C@]3(CCN(C)C3=O)CC2)ccc1N(C)C ZINC001273206999 1263357205 /nfs/dbraw/zinc/35/72/05/1263357205.db2.gz WHIZUUCQTBNECV-FQEVSTJZSA-N 1 0 329.488 2.895 20 10 EFCDRO COc1cc(C[N@H+](C)[C@H]2CCCCNC2=O)c(O)c(C(C)(C)C)c1 ZINC000824645474 1278212310 /nfs/dbraw/zinc/21/23/10/1278212310.db2.gz JRJHKHFNONVBNA-INIZCTEOSA-N 1 0 334.460 2.799 20 10 EFCDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)nc(N2CCOCC2)c1 ZINC000922013610 1264119646 /nfs/dbraw/zinc/11/96/46/1264119646.db2.gz GNRYQAPUHGZGLI-UHFFFAOYSA-N 1 0 339.439 2.533 20 10 EFCDRO CCN(CC)c1ccc(CN(C)C(=S)NCCC[NH+](C)C)cc1 ZINC000730596415 1264389030 /nfs/dbraw/zinc/38/90/30/1264389030.db2.gz QAMFBHCBLNAVII-UHFFFAOYSA-N 1 0 336.549 2.791 20 10 EFCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc4c(c3)CCCO4)[C@@H]2C1 ZINC000922134720 1264483198 /nfs/dbraw/zinc/48/31/98/1264483198.db2.gz ROGCAWGDNVQWRC-OTWHNJEPSA-N 1 0 328.456 2.748 20 10 EFCDRO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC001084861900 1264557181 /nfs/dbraw/zinc/55/71/81/1264557181.db2.gz LJUXKWCRBIIHAD-GDBMZVCRSA-N 1 0 343.431 2.795 20 10 EFCDRO COC(=O)COc1ccccc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000922212402 1264968701 /nfs/dbraw/zinc/96/87/01/1264968701.db2.gz FTDXHTPOLNKRNY-CYBMUJFWSA-N 1 0 345.395 2.803 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CCCO[C@@H]1CCCCO1 ZINC000922228031 1265029447 /nfs/dbraw/zinc/02/94/47/1265029447.db2.gz BHQGHULTTLEHDK-LJQANCHMSA-N 1 0 334.460 2.546 20 10 EFCDRO COCC(=O)Nc1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000733322259 1265168323 /nfs/dbraw/zinc/16/83/23/1265168323.db2.gz FBFMYCCVNZUCHT-UHFFFAOYSA-N 1 0 334.803 2.920 20 10 EFCDRO CC(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3c([O-])cccc3F)C2)C1=O ZINC001273265285 1265208152 /nfs/dbraw/zinc/20/81/52/1265208152.db2.gz DSHMIQQYEPTAQC-IBGZPJMESA-N 1 0 348.418 2.528 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCC[C@H]3O)cc2)CC1 ZINC000824716494 1278259566 /nfs/dbraw/zinc/25/95/66/1278259566.db2.gz VRCVNCMNWMGPHV-PWRODBHTSA-N 1 0 343.515 2.564 20 10 EFCDRO O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824715213 1278258980 /nfs/dbraw/zinc/25/89/80/1278258980.db2.gz JIDPERVSZVPPOH-IMFGXOCKSA-N 1 0 348.462 2.788 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc3occc3[nH]2)cc1C ZINC001128503932 1266453572 /nfs/dbraw/zinc/45/35/72/1266453572.db2.gz ZUKOMMIJUZVLBU-UHFFFAOYSA-N 1 0 327.384 2.598 20 10 EFCDRO CCOc1ccc(N(CC)CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000733995649 1266803410 /nfs/dbraw/zinc/80/34/10/1266803410.db2.gz KELQQKMMCFOBGD-UHFFFAOYSA-N 1 0 347.503 2.901 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000734276644 1266934746 /nfs/dbraw/zinc/93/47/46/1266934746.db2.gz GKAVQCMQPNUMAP-HNNXBMFYSA-N 1 0 348.466 2.708 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000734661865 1267066267 /nfs/dbraw/zinc/06/62/67/1267066267.db2.gz SQFRNIPTAMPBTP-MRXNPFEDSA-N 1 0 332.492 2.735 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000734668968 1267070377 /nfs/dbraw/zinc/07/03/77/1267070377.db2.gz JYVSCMPWUHFGGM-LJQANCHMSA-N 1 0 346.519 2.981 20 10 EFCDRO COc1ccc(O)c(CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000734945818 1267156301 /nfs/dbraw/zinc/15/63/01/1267156301.db2.gz BRBONOWEDSRXGY-MRXNPFEDSA-N 1 0 337.464 2.566 20 10 EFCDRO COc1ccc(O)c(CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000734945817 1267156317 /nfs/dbraw/zinc/15/63/17/1267156317.db2.gz BRBONOWEDSRXGY-INIZCTEOSA-N 1 0 337.464 2.566 20 10 EFCDRO COCCOC1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824788238 1278309124 /nfs/dbraw/zinc/30/91/24/1278309124.db2.gz BRLZFSHLCVJFLY-UHFFFAOYSA-N 1 0 344.249 2.782 20 10 EFCDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC000824856328 1278316077 /nfs/dbraw/zinc/31/60/77/1278316077.db2.gz VTUJSMWBYWDMCF-LBPRGKRZSA-N 1 0 329.849 2.835 20 10 EFCDRO COCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001004633228 1267424095 /nfs/dbraw/zinc/42/40/95/1267424095.db2.gz AQXXMLYYTJJIMG-DOTOQJQBSA-N 1 0 334.460 2.509 20 10 EFCDRO OC[C@H]([C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC1)C1CC1 ZINC000824844947 1278329321 /nfs/dbraw/zinc/32/93/21/1278329321.db2.gz FZKOAWCFRBPWBX-PXNSSMCTSA-N 1 0 348.462 2.549 20 10 EFCDRO CC[C@H](C(=O)N1CCCN(c2ccc(OC)cc2)CC1)[NH+](CC)CC ZINC000735878874 1267440653 /nfs/dbraw/zinc/44/06/53/1267440653.db2.gz NRKRPDKGZNAKSW-LJQANCHMSA-N 1 0 347.503 2.854 20 10 EFCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCO[C@@H](c3ccncc3)C1)OCO2 ZINC000824954790 1278364541 /nfs/dbraw/zinc/36/45/41/1278364541.db2.gz SJDBTRRVAVAMRB-GOEBONIOSA-N 1 0 328.368 2.526 20 10 EFCDRO CCO[C@H](CC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC001129321196 1268254687 /nfs/dbraw/zinc/25/46/87/1268254687.db2.gz INKJBKNVPIVWDU-GOSISDBHSA-N 1 0 336.476 2.661 20 10 EFCDRO CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001005002982 1268360097 /nfs/dbraw/zinc/36/00/97/1268360097.db2.gz MHIIIKNADBMYFZ-DOMZBBRYSA-N 1 0 331.420 2.842 20 10 EFCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(N3CCOCC3)nc2)cc1Cl ZINC000825096572 1278410825 /nfs/dbraw/zinc/41/08/25/1278410825.db2.gz IBVKOQGSDGSHQM-UHFFFAOYSA-N 1 0 347.846 2.875 20 10 EFCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)C(=O)N1c2ccccc2C[C@H]1C ZINC000825113038 1278414912 /nfs/dbraw/zinc/41/49/12/1278414912.db2.gz YUDQSECCHVLCMM-CHWSQXEVSA-N 1 0 328.387 2.987 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)c1 ZINC000825118796 1278418124 /nfs/dbraw/zinc/41/81/24/1278418124.db2.gz XLLLVFRXVKDMTQ-KBAYOESNSA-N 1 0 345.443 2.884 20 10 EFCDRO CCOc1ccc(C[NH2+]C[C@H](c2nnc[nH]2)c2ccccc2)c(O)c1 ZINC000825124424 1278420328 /nfs/dbraw/zinc/42/03/28/1278420328.db2.gz PTGBJWLSEFPSLK-KRWDZBQOSA-N 1 0 338.411 2.831 20 10 EFCDRO COc1cccc(C(=O)NCC[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825155632 1278452028 /nfs/dbraw/zinc/45/20/28/1278452028.db2.gz HRMXQVFHJFIBJP-UHFFFAOYSA-N 1 0 348.830 2.882 20 10 EFCDRO Cc1cc(C(=O)N(C)CCCC[NH+](C)C)c(C)n1-c1ccccn1 ZINC000740711149 1269003240 /nfs/dbraw/zinc/00/32/40/1269003240.db2.gz QBRYPVIEAGRVBY-UHFFFAOYSA-N 1 0 328.460 2.903 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3ccco3)C2)cc1C ZINC001086013696 1269522812 /nfs/dbraw/zinc/52/28/12/1269522812.db2.gz IQYDXRRLDVEJDR-IYBDPMFKSA-N 1 0 328.412 2.895 20 10 EFCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1Cl ZINC000825291358 1278494597 /nfs/dbraw/zinc/49/45/97/1278494597.db2.gz KARGEXWKYWFVDF-CHWSQXEVSA-N 1 0 331.865 2.799 20 10 EFCDRO CCOc1cccc(C[N@H+](CCO)Cc2cc3c(cc2O)OCO3)c1 ZINC000825299862 1278497952 /nfs/dbraw/zinc/49/79/52/1278497952.db2.gz QHQCIQRVPRXCCC-UHFFFAOYSA-N 1 0 345.395 2.514 20 10 EFCDRO COc1ccc(N2CC[NH+](CCCNc3ccc(F)cn3)CC2)cc1 ZINC000741746379 1269677087 /nfs/dbraw/zinc/67/70/87/1269677087.db2.gz GPOIRRLYBMSWGA-UHFFFAOYSA-N 1 0 344.434 2.854 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033699102 1269862411 /nfs/dbraw/zinc/86/24/11/1269862411.db2.gz KLPJNEVEVWWPTB-HNNXBMFYSA-N 1 0 331.420 2.651 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000825354301 1278518548 /nfs/dbraw/zinc/51/85/48/1278518548.db2.gz SQYCQXFETDIWNU-CVEARBPZSA-N 1 0 334.213 2.903 20 10 EFCDRO Cc1cc(O)c(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)cc1C ZINC000742367832 1270007314 /nfs/dbraw/zinc/00/73/14/1270007314.db2.gz MIHORYWDEMGHEN-UHFFFAOYSA-N 1 0 339.439 2.798 20 10 EFCDRO O=C1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000742391076 1270018669 /nfs/dbraw/zinc/01/86/69/1270018669.db2.gz BZSZZTOIEJSGGY-SLFFLAALSA-N 1 0 348.446 2.868 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000825405237 1278538176 /nfs/dbraw/zinc/53/81/76/1278538176.db2.gz FADZZLHCRCYTNO-CYBMUJFWSA-N 1 0 342.233 2.930 20 10 EFCDRO COC(=O)C1(C[NH2+]Cc2ccc(Br)cc2O)CCCC1 ZINC000825497916 1278570153 /nfs/dbraw/zinc/57/01/53/1278570153.db2.gz QXPGIKRKOKJQRA-UHFFFAOYSA-N 1 0 342.233 2.978 20 10 EFCDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000743548375 1270628230 /nfs/dbraw/zinc/62/82/30/1270628230.db2.gz OUOSSNNPWAFACY-OAHLLOKOSA-N 1 0 345.487 2.802 20 10 EFCDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(Br)cc1O ZINC000825505113 1278574093 /nfs/dbraw/zinc/57/40/93/1278574093.db2.gz RSMBMYLCGLYVPM-CQSZACIVSA-N 1 0 330.222 2.976 20 10 EFCDRO Cc1cc(O)c(C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cc1Cl ZINC000825509668 1278578174 /nfs/dbraw/zinc/57/81/74/1278578174.db2.gz PUCGMXHXJMOIOH-UHFFFAOYSA-N 1 0 330.815 2.930 20 10 EFCDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000743814179 1270766022 /nfs/dbraw/zinc/76/60/22/1270766022.db2.gz WXMPAKLSDKZNGS-KRWDZBQOSA-N 1 0 332.492 2.626 20 10 EFCDRO C[NH+]1CCC(CC(=O)NCc2cc(Cl)c3cccnc3c2O)CC1 ZINC001143360076 1278591047 /nfs/dbraw/zinc/59/10/47/1278591047.db2.gz VILWGLDTWQOHNL-UHFFFAOYSA-N 1 0 347.846 2.942 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3cc(C)on3)C2)cc1C ZINC001086303778 1270910072 /nfs/dbraw/zinc/91/00/72/1270910072.db2.gz WSCKQOMBFCBTMU-WKILWMFISA-N 1 0 343.427 2.598 20 10 EFCDRO CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001034053048 1270933330 /nfs/dbraw/zinc/93/33/30/1270933330.db2.gz OHXDUPJKIHEQSD-MRXNPFEDSA-N 1 0 343.431 2.795 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3cccn3C)C2)cc1C ZINC001086311632 1270943251 /nfs/dbraw/zinc/94/32/51/1270943251.db2.gz ORWDZWQWVYLQGB-QAQDUYKDSA-N 1 0 341.455 2.640 20 10 EFCDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000745499973 1271493468 /nfs/dbraw/zinc/49/34/68/1271493468.db2.gz BCLLAVHLZOMTOP-HNNXBMFYSA-N 1 0 345.487 2.945 20 10 EFCDRO C[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000702566660 1271495372 /nfs/dbraw/zinc/49/53/72/1271495372.db2.gz MTAIQLHCVXGHQO-YWZLYKJASA-N 1 0 344.430 2.819 20 10 EFCDRO CC[C@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001034287808 1271565280 /nfs/dbraw/zinc/56/52/80/1271565280.db2.gz ANXXQOAGNBPLIZ-GOEBONIOSA-N 1 0 349.475 2.729 20 10 EFCDRO CCc1cccc(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)c1O ZINC000702652458 1271600802 /nfs/dbraw/zinc/60/08/02/1271600802.db2.gz KZQWTDOWYUROJV-OAQYLSRUSA-N 1 0 340.467 2.681 20 10 EFCDRO C[C@H](NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000746168358 1271873349 /nfs/dbraw/zinc/87/33/49/1271873349.db2.gz OLMUKZHGFBIVLF-ULQDDVLXSA-N 1 0 345.487 2.573 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C(F)F)CC2)cc1C ZINC001034576763 1272321547 /nfs/dbraw/zinc/32/15/47/1272321547.db2.gz MYOMMMIKIWRUTH-HDJSIYSDSA-N 1 0 326.387 2.786 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000121324523 1272438800 /nfs/dbraw/zinc/43/88/00/1272438800.db2.gz PKKSFJFVNAPDKR-UHFFFAOYSA-N 1 0 340.471 2.616 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c(C)c1 ZINC001169050179 1272629587 /nfs/dbraw/zinc/62/95/87/1272629587.db2.gz ZDSKJMLXVDQTOC-CVEARBPZSA-N 1 0 333.432 2.571 20 10 EFCDRO COc1ccc(N2CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)c1 ZINC001169154406 1272715842 /nfs/dbraw/zinc/71/58/42/1272715842.db2.gz PPRRQXPZWOUPGJ-BCDXTJNWSA-N 1 0 329.488 2.751 20 10 EFCDRO Cc1cc(C(=O)N(C)CC[NH+]2CCCC2)c(C)n1-c1ccccn1 ZINC000103117883 1272736571 /nfs/dbraw/zinc/73/65/71/1272736571.db2.gz HMPKEQASMPVPRU-UHFFFAOYSA-N 1 0 326.444 2.657 20 10 EFCDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3cc2O)CO1 ZINC001169350984 1272840067 /nfs/dbraw/zinc/84/00/67/1272840067.db2.gz WQALDHXFMYYJPR-SJLPKXTDSA-N 1 0 329.396 2.746 20 10 EFCDRO COc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)c2cn[nH]c2)cc1C ZINC001169386920 1272889112 /nfs/dbraw/zinc/88/91/12/1272889112.db2.gz VEXYLIMZOSPACB-HNNXBMFYSA-N 1 0 344.459 2.805 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)CC[C@@H]2CCCOC2)cc1C ZINC001169612490 1273052576 /nfs/dbraw/zinc/05/25/76/1273052576.db2.gz RDAUDYWVMSMCNZ-KRWDZBQOSA-N 1 0 348.487 2.806 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2cccn2C)cc1C ZINC001034861767 1273116239 /nfs/dbraw/zinc/11/62/39/1273116239.db2.gz MQEPICXIWRISFN-QGZVFWFLSA-N 1 0 341.455 2.737 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2cccnc2)cc1C ZINC001034845440 1273130855 /nfs/dbraw/zinc/13/08/55/1273130855.db2.gz RQJXYRNPPPWYPI-GOSISDBHSA-N 1 0 339.439 2.793 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CC2(F)F)cc1C ZINC001034932942 1273214652 /nfs/dbraw/zinc/21/46/52/1273214652.db2.gz IVUAGKFPPZGZKT-HUUCEWRRSA-N 1 0 338.398 2.739 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@@H]3CCCC4(C3)OCCO4)CC2)cc1 ZINC001169937506 1273256992 /nfs/dbraw/zinc/25/69/92/1273256992.db2.gz PCPVJGDEOPVTHP-QGZVFWFLSA-N 1 0 332.444 2.503 20 10 EFCDRO Oc1ccccc1CN1CCC([NH2+][C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169923891 1273264210 /nfs/dbraw/zinc/26/42/10/1273264210.db2.gz KMNRIUZJMGJMIF-GOSISDBHSA-N 1 0 346.471 2.632 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CC23CC3)cc1C ZINC001035060855 1273445542 /nfs/dbraw/zinc/44/55/42/1273445542.db2.gz SHGWWFSWZYYYAE-IAGOWNOFSA-N 1 0 328.456 2.884 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC23CC3)cc1C ZINC001035060856 1273445700 /nfs/dbraw/zinc/44/57/00/1273445700.db2.gz SHGWWFSWZYYYAE-SJORKVTESA-N 1 0 328.456 2.884 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@]2(C)CCOC2)cc1C ZINC001035086401 1273493265 /nfs/dbraw/zinc/49/32/65/1273493265.db2.gz NEMJJWBZZVZXKJ-YLJYHZDGSA-N 1 0 346.471 2.511 20 10 EFCDRO Cn1cc(-c2nc(CN3CCCc4cc(C[NH3+])ccc43)cs2)cn1 ZINC000844219888 1278793387 /nfs/dbraw/zinc/79/33/87/1278793387.db2.gz OEULJTMYDZWWIZ-UHFFFAOYSA-N 1 0 339.468 2.955 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[C@@H]2C(F)F)cc1C ZINC001129376908 1273760371 /nfs/dbraw/zinc/76/03/71/1273760371.db2.gz VWXUVYXLWYZXDC-GJZGRUSLSA-N 1 0 340.414 2.891 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000691445142 1274055164 /nfs/dbraw/zinc/05/51/64/1274055164.db2.gz OPEBZCOONZHXKZ-KBPBESRZSA-N 1 0 325.250 2.871 20 10 EFCDRO Oc1ccc(CNc2ccc([C@@]34CC[NH2+][C@H]3COCC4)cc2)cc1O ZINC001169993279 1274163856 /nfs/dbraw/zinc/16/38/56/1274163856.db2.gz QYOHAVYQTCHVAJ-PMACEKPBSA-N 1 0 340.423 2.730 20 10 EFCDRO CC(C)(C)OC(=O)NCC[NH2+]Cc1ccc(Br)cc1O ZINC000691467270 1274355727 /nfs/dbraw/zinc/35/57/27/1274355727.db2.gz HWPGVLBLPSVJNK-UHFFFAOYSA-N 1 0 345.237 2.769 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000691469073 1274382070 /nfs/dbraw/zinc/38/20/70/1274382070.db2.gz QDWQSJPPXIBZHL-AWEZNQCLSA-N 1 0 344.249 2.830 20 10 EFCDRO Oc1cccc(Br)c1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000706852023 1275051482 /nfs/dbraw/zinc/05/14/82/1275051482.db2.gz JJYJSYJSCHBNOF-GFCCVEGCSA-N 1 0 344.249 2.830 20 10 EFCDRO Oc1cccc(Br)c1CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000706853899 1275052829 /nfs/dbraw/zinc/05/28/29/1275052829.db2.gz KUWNYGMTTCTJST-KBPBESRZSA-N 1 0 325.250 2.871 20 10 EFCDRO COCCSCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000785779761 1275186043 /nfs/dbraw/zinc/18/60/43/1275186043.db2.gz CIKLBDDIBQRSKB-MRXNPFEDSA-N 1 0 338.517 2.944 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3cccn3C)C2)cc1C ZINC001090931949 1278932895 /nfs/dbraw/zinc/93/28/95/1278932895.db2.gz ORWDZWQWVYLQGB-UHFFFAOYSA-N 1 0 341.455 2.640 20 10 EFCDRO Oc1cccc(Br)c1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000707171955 1275375840 /nfs/dbraw/zinc/37/58/40/1275375840.db2.gz PQJMMUXKTJIXNE-GFCCVEGCSA-N 1 0 325.250 2.825 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000844400829 1278948243 /nfs/dbraw/zinc/94/82/43/1278948243.db2.gz FKWAYPCRHYRZJQ-KRWDZBQOSA-N 1 0 332.444 2.549 20 10 EFCDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2c(O)cccc2Cl)s1 ZINC000786827247 1275533363 /nfs/dbraw/zinc/53/33/63/1275533363.db2.gz LKXUEBGWUIKPHQ-UHFFFAOYSA-N 1 0 331.846 2.800 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)c1 ZINC000786862146 1275558897 /nfs/dbraw/zinc/55/88/97/1275558897.db2.gz VTUYCGHNRYBUHZ-ZDUSSCGKSA-N 1 0 341.411 2.781 20 10 EFCDRO COc1ccc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000787732424 1275893570 /nfs/dbraw/zinc/89/35/70/1275893570.db2.gz XTYHTLQNXBQHOU-UHFFFAOYSA-N 1 0 339.483 2.949 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3c(c2)oc(=O)n3C)cc1 ZINC000787769854 1275903003 /nfs/dbraw/zinc/90/30/03/1275903003.db2.gz LNSOHIXKVLWALX-UHFFFAOYSA-N 1 0 325.412 2.830 20 10 EFCDRO CC(C)OCC[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000788274465 1276123958 /nfs/dbraw/zinc/12/39/58/1276123958.db2.gz HODWHAUVXCLENQ-ZWKOTPCHSA-N 1 0 337.460 2.549 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)C(C)(C)n1cncn1 ZINC000788543502 1276213635 /nfs/dbraw/zinc/21/36/35/1276213635.db2.gz VCPCAEZGDPZQDE-HNNXBMFYSA-N 1 0 345.516 2.745 20 10 EFCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)c(O)c1 ZINC000788574914 1276230060 /nfs/dbraw/zinc/23/00/60/1276230060.db2.gz UMHRZFIOUROLAU-OAHLLOKOSA-N 1 0 348.468 2.638 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+]C3CC(C)(C)C3)CC2)cc1 ZINC000788576471 1276230410 /nfs/dbraw/zinc/23/04/10/1276230410.db2.gz LIMOPQQGIDIUGA-UHFFFAOYSA-N 1 0 331.504 2.986 20 10 EFCDRO CCC[N@H+](CC)CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000746753348 1276252491 /nfs/dbraw/zinc/25/24/91/1276252491.db2.gz ALXGHBUYLZWAIX-UHFFFAOYSA-N 1 0 332.492 2.600 20 10 EFCDRO C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000817888164 1276346752 /nfs/dbraw/zinc/34/67/52/1276346752.db2.gz JDYCIMBZOOKJDQ-BSXFFOKHSA-N 1 0 335.467 2.669 20 10 EFCDRO [NH3+][C@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000817888604 1276347623 /nfs/dbraw/zinc/34/76/23/1276347623.db2.gz MZJCULLJRUEHOJ-HOTGVXAUSA-N 1 0 343.393 2.511 20 10 EFCDRO CC[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817894929 1276364312 /nfs/dbraw/zinc/36/43/12/1276364312.db2.gz PFLFKJHRVOEERQ-PMACEKPBSA-N 1 0 331.504 2.516 20 10 EFCDRO C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(Br)cc(F)c1[O-] ZINC000817967418 1276410633 /nfs/dbraw/zinc/41/06/33/1276410633.db2.gz HXHZIXBEIXWYCC-SECBINFHSA-N 1 0 329.213 2.864 20 10 EFCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1nc2ccccc2n1C ZINC000817939897 1276385866 /nfs/dbraw/zinc/38/58/66/1276385866.db2.gz DAXNNHGXXWCPOZ-PBHICJAKSA-N 1 0 337.471 2.990 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc2c(c1)OCO2 ZINC000817939143 1276385986 /nfs/dbraw/zinc/38/59/86/1276385986.db2.gz ZNJDKUFQNFOZCL-SUMWQHHRSA-N 1 0 327.428 2.832 20 10 EFCDRO C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cc(Br)c(F)cc1[O-] ZINC000817940135 1276386076 /nfs/dbraw/zinc/38/60/76/1276386076.db2.gz FRFPCFVGROWRPW-SECBINFHSA-N 1 0 331.229 2.944 20 10 EFCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc2c(c1)OCCO2 ZINC000817938262 1276386181 /nfs/dbraw/zinc/38/61/81/1276386181.db2.gz HOBYRRNONOXFCQ-KSSFIOAISA-N 1 0 341.455 2.874 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Br)cc(F)c1[O-] ZINC000817945426 1276390894 /nfs/dbraw/zinc/39/08/94/1276390894.db2.gz COFFUTZGYWUYRF-NXEZZACHSA-N 1 0 331.229 2.944 20 10 EFCDRO C[C@@H](NC[C@H]1CCCC[NH2+]1)c1ccc(N2CCOCC2)cc1Cl ZINC000817949121 1276396661 /nfs/dbraw/zinc/39/66/61/1276396661.db2.gz HYNMRVIAYRPYRJ-HUUCEWRRSA-N 1 0 337.895 2.969 20 10 EFCDRO COC(=O)COc1ccccc1[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817956679 1276397239 /nfs/dbraw/zinc/39/72/39/1276397239.db2.gz ANQHXLOFCUEKPC-AWEZNQCLSA-N 1 0 328.412 2.714 20 10 EFCDRO C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(Br)cc(F)c1[O-] ZINC000817954800 1276397475 /nfs/dbraw/zinc/39/74/75/1276397475.db2.gz KDZHAGCAXHOVSJ-VHSXEESVSA-N 1 0 331.229 2.944 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]([NH3+])C1CCC1 ZINC000817958128 1276398825 /nfs/dbraw/zinc/39/88/25/1276398825.db2.gz IBGFIWDMCSFNMP-CQSZACIVSA-N 1 0 341.249 2.631 20 10 EFCDRO COc1ccc(N2CCN(C(=O)c3ccc([C@H](C)[NH3+])cc3)CC2)cc1 ZINC000817995882 1276405573 /nfs/dbraw/zinc/40/55/73/1276405573.db2.gz FOCQSGCQTRBQRI-HNNXBMFYSA-N 1 0 339.439 2.677 20 10 EFCDRO C[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817968510 1276411786 /nfs/dbraw/zinc/41/17/86/1276411786.db2.gz KREULMFJAHLOJC-LSDHHAIUSA-N 1 0 337.895 2.969 20 10 EFCDRO COC[C@]1(CN[C@H](C)c2cc(Br)ccc2O)CCC[NH2+]1 ZINC000817975533 1276416117 /nfs/dbraw/zinc/41/61/17/1276416117.db2.gz WGATVGFYXVDAIO-IAQYHMDHSA-N 1 0 343.265 2.574 20 10 EFCDRO C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000788984279 1276427744 /nfs/dbraw/zinc/42/77/44/1276427744.db2.gz JUUAACOQVLHBJI-DZKIICNBSA-N 1 0 338.879 2.988 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)[C@H](N)c2c(F)cccc2F)cc1 ZINC000817993647 1276432690 /nfs/dbraw/zinc/43/26/90/1276432690.db2.gz OFWZELQXCHBYGX-QGZVFWFLSA-N 1 0 333.382 2.689 20 10 EFCDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000788981729 1276449432 /nfs/dbraw/zinc/44/94/32/1276449432.db2.gz GAFLIQHYVMHCNB-WDEREUQCSA-N 1 0 343.265 2.981 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccc4nccn43)C2)cc1 ZINC000818222962 1276493566 /nfs/dbraw/zinc/49/35/66/1276493566.db2.gz ZFLBSIZBIKASBU-INIZCTEOSA-N 1 0 336.439 2.959 20 10 EFCDRO Cc1ccc(O)c(C[NH2+]CCNC(=O)CCCc2ccccc2)c1 ZINC000818224305 1276494794 /nfs/dbraw/zinc/49/47/94/1276494794.db2.gz BOBOQQCGPOCXGK-UHFFFAOYSA-N 1 0 326.440 2.929 20 10 EFCDRO COc1cccc(C[NH2+]CCNC(=O)CCCc2ccccc2)c1O ZINC000818226087 1276494949 /nfs/dbraw/zinc/49/49/49/1276494949.db2.gz ZALYQNSBUHVWST-UHFFFAOYSA-N 1 0 342.439 2.630 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cn(C)nc3C)C2)cc1 ZINC000818345251 1276511358 /nfs/dbraw/zinc/51/13/58/1276511358.db2.gz SNHFQPGUCNGLSA-GOEBONIOSA-N 1 0 328.460 2.914 20 10 EFCDRO CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)c1cnn(C)c1 ZINC000818345736 1276512802 /nfs/dbraw/zinc/51/28/02/1276512802.db2.gz XLLDSHPDBWZOMW-HNAYVOBHSA-N 1 0 328.460 2.996 20 10 EFCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818344636 1276513032 /nfs/dbraw/zinc/51/30/32/1276513032.db2.gz PMVKJURQMDFOJR-SJORKVTESA-N 1 0 347.503 2.758 20 10 EFCDRO CC[C@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)c1cnn(C)c1 ZINC000818345733 1276513266 /nfs/dbraw/zinc/51/32/66/1276513266.db2.gz XLLDSHPDBWZOMW-BEFAXECRSA-N 1 0 328.460 2.996 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cc3c([nH]2)CCC3)cc1C ZINC001170911938 1276543844 /nfs/dbraw/zinc/54/38/44/1276543844.db2.gz SWARPUCYUWKKFE-UHFFFAOYSA-N 1 0 341.455 2.730 20 10 EFCDRO Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(N(C)C)cc2)c(C)c1 ZINC000818941383 1276553639 /nfs/dbraw/zinc/55/36/39/1276553639.db2.gz IRINRLZTWVRGLJ-LJQANCHMSA-N 1 0 328.456 2.899 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)COc1ccccc1F ZINC000818953054 1276556621 /nfs/dbraw/zinc/55/66/21/1276556621.db2.gz AIXLZPUWQWBGOS-GOSISDBHSA-N 1 0 344.430 2.955 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)COc1ccccc1Cl ZINC000818997001 1276567104 /nfs/dbraw/zinc/56/71/04/1276567104.db2.gz PEYPGMARELJXSQ-OAHLLOKOSA-N 1 0 333.815 2.804 20 10 EFCDRO CCOc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000818997284 1276567266 /nfs/dbraw/zinc/56/72/66/1276567266.db2.gz XBDGDEWALOUWDU-KRWDZBQOSA-N 1 0 343.423 2.550 20 10 EFCDRO CSC[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819119701 1276638889 /nfs/dbraw/zinc/63/88/89/1276638889.db2.gz CIPCIUJNBNAPMX-GXTWGEPZSA-N 1 0 346.443 2.570 20 10 EFCDRO C[C@@H]1CCCN(c2ccc(C[NH2+]CCS(C)(=O)=O)cc2Cl)C1 ZINC000819290473 1276706053 /nfs/dbraw/zinc/70/60/53/1276706053.db2.gz HITHAPXOJYSEDC-CYBMUJFWSA-N 1 0 344.908 2.711 20 10 EFCDRO C[C@H]1CCCN(c2ccc(C[NH2+]CCS(C)(=O)=O)cc2Cl)C1 ZINC000819290475 1276706352 /nfs/dbraw/zinc/70/63/52/1276706352.db2.gz HITHAPXOJYSEDC-ZDUSSCGKSA-N 1 0 344.908 2.711 20 10 EFCDRO CC(C)CC[C@H](O)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000819360034 1276741690 /nfs/dbraw/zinc/74/16/90/1276741690.db2.gz YVTGALLKQFNIJM-HNNXBMFYSA-N 1 0 342.430 2.688 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)c3ccccc3F)C2)cc1 ZINC000819379752 1276763315 /nfs/dbraw/zinc/76/33/15/1276763315.db2.gz KXAGQAQQJBCRLE-QRWLVFNGSA-N 1 0 344.430 2.984 20 10 EFCDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNc1ccccc1OCCF ZINC000819488174 1276790935 /nfs/dbraw/zinc/79/09/35/1276790935.db2.gz KSMNXWQIFMSBRM-KRWDZBQOSA-N 1 0 332.419 2.940 20 10 EFCDRO CCOc1ccc(C[NH2+][C@@](C)(CC(=O)OC)c2ccncc2)c(O)c1 ZINC000789554001 1276815667 /nfs/dbraw/zinc/81/56/67/1276815667.db2.gz FETZAQFPPUNEKX-IBGZPJMESA-N 1 0 344.411 2.754 20 10 EFCDRO CCCCC[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OC ZINC000789576937 1276825979 /nfs/dbraw/zinc/82/59/79/1276825979.db2.gz TUCBAXJKPTZHNK-IBGZPJMESA-N 1 0 347.503 2.650 20 10 EFCDRO Cc1cc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)ccc1N(C)C ZINC000815014882 1287248631 /nfs/dbraw/zinc/24/86/31/1287248631.db2.gz CEFSCSXGLWHBAT-LJQANCHMSA-N 1 0 331.504 2.748 20 10 EFCDRO C[C@@H]1CCC[C@]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)(C(=O)[O-])C1 ZINC000789902445 1277088721 /nfs/dbraw/zinc/08/87/21/1277088721.db2.gz NZRXVVGGQXKHDS-OXQOHEQNSA-N 1 0 345.487 2.562 20 10 EFCDRO Cc1nsc(N2CCC[N@@H+](Cc3ccc(N(C)C)c(C)c3)CC2)n1 ZINC000815053897 1287269934 /nfs/dbraw/zinc/26/99/34/1287269934.db2.gz CPDYPEKDAOSHHY-UHFFFAOYSA-N 1 0 345.516 2.933 20 10 EFCDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000821070883 1277427059 /nfs/dbraw/zinc/42/70/59/1277427059.db2.gz PQPBKIGIKOZYJH-GOSISDBHSA-N 1 0 328.456 2.904 20 10 EFCDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923287834 1277500796 /nfs/dbraw/zinc/50/07/96/1277500796.db2.gz XDEJLKODUYUICG-SFHVURJKSA-N 1 0 327.384 2.540 20 10 EFCDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000790570246 1277653212 /nfs/dbraw/zinc/65/32/12/1277653212.db2.gz KQBKBHKCXPBOKG-HIFRSBDPSA-N 1 0 326.396 2.663 20 10 EFCDRO COC(=O)c1coc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000822494769 1289014229 /nfs/dbraw/zinc/01/42/29/1289014229.db2.gz VZQZQPQZAFVTBH-AWEZNQCLSA-N 1 0 344.411 2.691 20 10 EFCDRO Cc1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)ccc1N(C)C ZINC000815080483 1287302971 /nfs/dbraw/zinc/30/29/71/1287302971.db2.gz CFUJLQSMOAVJKA-ICSRJNTNSA-N 1 0 342.487 2.883 20 10 EFCDRO COCCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000815081768 1287306207 /nfs/dbraw/zinc/30/62/07/1287306207.db2.gz NWUDIOQGHBBVJL-RDJZCZTQSA-N 1 0 345.439 2.672 20 10 EFCDRO COCCN(C)c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)cn1 ZINC000790964991 1277884665 /nfs/dbraw/zinc/88/46/65/1277884665.db2.gz XLBUMSVXGOJKPA-UHFFFAOYSA-N 1 0 342.487 2.828 20 10 EFCDRO CC[C@]1([NH2+]Cc2cc(Br)cc(OC)c2O)CCOC1 ZINC000791002376 1277900561 /nfs/dbraw/zinc/90/05/61/1277900561.db2.gz GTXBNZPVWZVZHU-AWEZNQCLSA-N 1 0 330.222 2.822 20 10 EFCDRO CCc1nocc1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000815120400 1287315382 /nfs/dbraw/zinc/31/53/82/1287315382.db2.gz ROUZASZCOVMQAQ-UHFFFAOYSA-N 1 0 329.444 2.736 20 10 EFCDRO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)ccc1N(C)C ZINC000815100414 1287324918 /nfs/dbraw/zinc/32/49/18/1287324918.db2.gz NZEYJHPLOXACTR-UYAOXDASSA-N 1 0 331.504 2.794 20 10 EFCDRO CC(C)C[N@H+](CC(N)=O)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792789418 1279152841 /nfs/dbraw/zinc/15/28/41/1279152841.db2.gz ITAVSDBOFDMAMJ-UHFFFAOYSA-N 1 0 331.382 2.715 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCCCNC2=O)c(C(F)(F)F)c1 ZINC000792796825 1279157188 /nfs/dbraw/zinc/15/71/88/1279157188.db2.gz DATJAIKMMFIXTB-HNNXBMFYSA-N 1 0 343.393 2.872 20 10 EFCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000815110665 1287329939 /nfs/dbraw/zinc/32/99/39/1287329939.db2.gz YDRQSBFDHSOEQM-IBGZPJMESA-N 1 0 331.504 2.687 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCc3nccnc3C)CC2)cc1 ZINC000815153597 1287331616 /nfs/dbraw/zinc/33/16/16/1287331616.db2.gz TXKKOXWKQIUUKH-UHFFFAOYSA-N 1 0 326.444 2.595 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)Cc2ccccc2F)cc1C ZINC001175118883 1287331796 /nfs/dbraw/zinc/33/17/96/1287331796.db2.gz CKTHIARAOZDMKM-UHFFFAOYSA-N 1 0 344.430 2.981 20 10 EFCDRO CC(=O)N1CCC([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792888353 1279243036 /nfs/dbraw/zinc/24/30/36/1279243036.db2.gz HNHRDIAKOODIPN-UHFFFAOYSA-N 1 0 343.393 2.872 20 10 EFCDRO COc1ccc(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c(O)c1 ZINC000792896207 1279248844 /nfs/dbraw/zinc/24/88/44/1279248844.db2.gz AUVQDVYIVVWAIR-KUHUBIRLSA-N 1 0 349.475 2.711 20 10 EFCDRO CCN(CC)C(=O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792942797 1279269014 /nfs/dbraw/zinc/26/90/14/1279269014.db2.gz YTRDCWLWDVQFJY-UHFFFAOYSA-N 1 0 331.382 2.729 20 10 EFCDRO CCCNC(=O)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792922283 1279278693 /nfs/dbraw/zinc/27/86/93/1279278693.db2.gz KSLFWMYTFNQGJL-UHFFFAOYSA-N 1 0 331.382 2.777 20 10 EFCDRO COc1ccc(CNC(=O)NCCCCC[NH+]2CCCCC2)c(O)c1 ZINC000792932528 1279283458 /nfs/dbraw/zinc/28/34/58/1279283458.db2.gz SVRXJNKXYVZTSC-UHFFFAOYSA-N 1 0 349.475 2.856 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000103595249 1279298663 /nfs/dbraw/zinc/29/86/63/1279298663.db2.gz KLLVBQYZFBIKTE-AWEZNQCLSA-N 1 0 337.464 2.880 20 10 EFCDRO C[C@H]1CN(CC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000792967861 1279311478 /nfs/dbraw/zinc/31/14/78/1279311478.db2.gz CXNXDQQBVXFVPE-ZDUSSCGKSA-N 1 0 345.409 2.582 20 10 EFCDRO COc1ccc(N(C)CCN(C)C(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC000844854747 1279311561 /nfs/dbraw/zinc/31/15/61/1279311561.db2.gz DWHIZWFFJASTEW-UHFFFAOYSA-N 1 0 338.411 2.551 20 10 EFCDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)C1 ZINC000844902512 1279323140 /nfs/dbraw/zinc/32/31/40/1279323140.db2.gz OIPDXHLPNHBUAF-HWWQOWPSSA-N 1 0 342.842 2.903 20 10 EFCDRO C[C@H]1CCC[N@H+](CCNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844880403 1279332405 /nfs/dbraw/zinc/33/24/05/1279332405.db2.gz RADVCWDLLMFQTG-LBPRGKRZSA-N 1 0 325.840 2.577 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](n3cncn3)C2)c(C(F)(F)F)c1 ZINC000793096747 1279375123 /nfs/dbraw/zinc/37/51/23/1279375123.db2.gz CLTBPYZKBXLBTG-AWEZNQCLSA-N 1 0 339.365 2.810 20 10 EFCDRO Cc1cccc(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000793202097 1279427753 /nfs/dbraw/zinc/42/77/53/1279427753.db2.gz FHYLFEWHWHGERZ-UHFFFAOYSA-N 1 0 329.419 2.698 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@H](CO)CC(F)F)c(C(F)(F)F)c1 ZINC000793186347 1279432067 /nfs/dbraw/zinc/43/20/67/1279432067.db2.gz MFOXTFJKWSVPKM-JTQLQIEISA-N 1 0 326.309 2.877 20 10 EFCDRO COC(=O)c1coc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000822494771 1289014678 /nfs/dbraw/zinc/01/46/78/1289014678.db2.gz VZQZQPQZAFVTBH-CQSZACIVSA-N 1 0 344.411 2.691 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c(O)c1 ZINC001144499538 1279740570 /nfs/dbraw/zinc/74/05/70/1279740570.db2.gz HVYKDOARTUOXRH-UHFFFAOYSA-N 1 0 334.803 2.779 20 10 EFCDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000793593250 1279762302 /nfs/dbraw/zinc/76/23/02/1279762302.db2.gz WVDPMMOFJQKEQP-MSOLQXFVSA-N 1 0 331.504 2.564 20 10 EFCDRO C[N@H+](Cc1ccccc1)C1CCN(Cc2c(O)cc(O)cc2O)CC1 ZINC001144509126 1279768712 /nfs/dbraw/zinc/76/87/12/1279768712.db2.gz LMOJXJSJBRVNML-UHFFFAOYSA-N 1 0 342.439 2.900 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC3(CC2)OCc2ccccc23)c(O)c1 ZINC001144508911 1279769066 /nfs/dbraw/zinc/76/90/66/1279769066.db2.gz DANUCJNKUIIVFV-UHFFFAOYSA-N 1 0 327.380 2.825 20 10 EFCDRO COc1cccc(O[C@H]2CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)c1 ZINC001144509186 1279769678 /nfs/dbraw/zinc/76/96/78/1279769678.db2.gz OGUCYBYOPCBZAJ-INIZCTEOSA-N 1 0 345.395 2.855 20 10 EFCDRO CC[N@H+](Cc1c(O)cc(O)cc1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001144514829 1279774187 /nfs/dbraw/zinc/77/41/87/1279774187.db2.gz UCUYEOAMSNISQT-MRXNPFEDSA-N 1 0 342.439 2.900 20 10 EFCDRO COc1ccccc1OC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144514798 1279774998 /nfs/dbraw/zinc/77/49/98/1279774998.db2.gz SJSIFXJZRMCMBV-UHFFFAOYSA-N 1 0 345.395 2.855 20 10 EFCDRO CCOc1ccc(N2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)cc1 ZINC001144516126 1279778231 /nfs/dbraw/zinc/77/82/31/1279778231.db2.gz QHBMPJBXIQITRN-UHFFFAOYSA-N 1 0 344.411 2.524 20 10 EFCDRO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)c1 ZINC001144516448 1279779360 /nfs/dbraw/zinc/77/93/60/1279779360.db2.gz YNVUVVOMFJYBDH-CQSZACIVSA-N 1 0 330.384 2.550 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)c1 ZINC000845970613 1279946657 /nfs/dbraw/zinc/94/66/57/1279946657.db2.gz AINVZRHKTQXZFQ-NSHDSACASA-N 1 0 333.384 2.974 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(N3CCCC3)nc2)c1 ZINC000845971798 1279947995 /nfs/dbraw/zinc/94/79/95/1279947995.db2.gz DILMTBITZGAPSF-CYBMUJFWSA-N 1 0 328.416 2.642 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)oc(=O)n3C)c1 ZINC000845972480 1279950123 /nfs/dbraw/zinc/95/01/23/1279950123.db2.gz QWGIHDIOTIMLSF-LLVKDONJSA-N 1 0 328.368 2.697 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)NC(=O)CO3)c1 ZINC000845973119 1279950559 /nfs/dbraw/zinc/95/05/59/1279950559.db2.gz XTPUNOXBUHSWMY-LLVKDONJSA-N 1 0 328.368 2.583 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCN(C)C[C@H]2Cc2ccccc2)c1 ZINC000846066899 1280018017 /nfs/dbraw/zinc/01/80/17/1280018017.db2.gz IODRPYTWOOUZPG-GOSISDBHSA-N 1 0 326.440 2.760 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)c1O ZINC000846150215 1280038358 /nfs/dbraw/zinc/03/83/58/1280038358.db2.gz BRRYRRITJYWADB-IUODEOHRSA-N 1 0 344.386 2.996 20 10 EFCDRO C[C@H](NC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000846159461 1280041716 /nfs/dbraw/zinc/04/17/16/1280041716.db2.gz GHXMSJLEHAIMAH-QOKNQOGYSA-N 1 0 330.476 2.584 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)c1O ZINC000846167634 1280045330 /nfs/dbraw/zinc/04/53/30/1280045330.db2.gz AAHVSEDMIUFBBU-AHIWAGSCSA-N 1 0 331.416 2.705 20 10 EFCDRO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846168581 1280045570 /nfs/dbraw/zinc/04/55/70/1280045570.db2.gz KPTSAIUPIOCEME-DZGCQCFKSA-N 1 0 331.412 2.836 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000846136045 1280048624 /nfs/dbraw/zinc/04/86/24/1280048624.db2.gz GROAPOPBVOPEOV-PXNSSMCTSA-N 1 0 344.503 2.803 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CCNC(=O)c2ccc(C)c(F)c2)c1O ZINC000846139348 1280049726 /nfs/dbraw/zinc/04/97/26/1280049726.db2.gz RPJVZSVFYWJQNX-ZDUSSCGKSA-N 1 0 346.402 2.929 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NCCC2CC[NH2+]CC2)cc1 ZINC000846136272 1280049923 /nfs/dbraw/zinc/04/99/23/1280049923.db2.gz HYGGNVDCXRPSQO-UHFFFAOYSA-N 1 0 332.492 2.722 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]CCNC(=O)c2cccc(C)c2)c1O ZINC000846141884 1280050613 /nfs/dbraw/zinc/05/06/13/1280050613.db2.gz BHMHZGVNFAKCAG-CQSZACIVSA-N 1 0 328.412 2.790 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)c1O ZINC000846142558 1280050844 /nfs/dbraw/zinc/05/08/44/1280050844.db2.gz VKRQRRAXYJPCLF-KBPBESRZSA-N 1 0 328.412 2.756 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CCC(=O)NCc2ccccc2)c1O ZINC000846142564 1280051359 /nfs/dbraw/zinc/05/13/59/1280051359.db2.gz VLSIBXSMFBGYJX-AWEZNQCLSA-N 1 0 328.412 2.758 20 10 EFCDRO C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc(Br)cc1O ZINC000846215205 1280072028 /nfs/dbraw/zinc/07/20/28/1280072028.db2.gz ZDBNQOPRQHULJE-IAQYHMDHSA-N 1 0 344.249 2.737 20 10 EFCDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(=O)n3ccccc3n2)c2c1c(F)ccc2O ZINC000846212719 1280084824 /nfs/dbraw/zinc/08/48/24/1280084824.db2.gz FNFBWBNXLLLFFW-SMDDNHRTSA-N 1 0 339.370 2.877 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3conc3C)C2)cc1C ZINC001091213147 1280108853 /nfs/dbraw/zinc/10/88/53/1280108853.db2.gz IBNJQXMBTSYCLV-UHFFFAOYSA-N 1 0 343.427 2.598 20 10 EFCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H]([NH3+])c2ccccc2C)cc1 ZINC000846695812 1280426539 /nfs/dbraw/zinc/42/65/39/1280426539.db2.gz ATRUVAMKXLGNHQ-IBGZPJMESA-N 1 0 341.455 2.598 20 10 EFCDRO COc1ccc(N(C)CCN(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000846697758 1280430234 /nfs/dbraw/zinc/43/02/34/1280430234.db2.gz VUBHTMAPSZMFKW-ALOPSCKCSA-N 1 0 345.487 2.511 20 10 EFCDRO COc1ccc(N(C)CCN(C)C(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000846697651 1280430331 /nfs/dbraw/zinc/43/03/31/1280430331.db2.gz TZIWCPZCRJLDQH-IAGOWNOFSA-N 1 0 347.503 2.616 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CN(c3ccccc3)CCO2)c1 ZINC000846845161 1280572965 /nfs/dbraw/zinc/57/29/65/1280572965.db2.gz UHFCXLOZKOXDAL-CRAIPNDOSA-N 1 0 342.439 2.957 20 10 EFCDRO C[C@@H](C[C@H](C)[NH2+]CC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146661666 1280965005 /nfs/dbraw/zinc/96/50/05/1280965005.db2.gz BXAWRWPQSGKXQS-RYUDHWBXSA-N 1 0 331.420 2.746 20 10 EFCDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)NCc1ccccc1O)c1ccco1 ZINC000806645043 1281121768 /nfs/dbraw/zinc/12/17/68/1281121768.db2.gz RGVNURNGRCOZOE-UKRRQHHQSA-N 1 0 331.416 2.914 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2c[nH]nc2C(C)(C)C)cc1C ZINC001147333110 1281144579 /nfs/dbraw/zinc/14/45/79/1281144579.db2.gz AMGCLATVHCPCGC-UHFFFAOYSA-N 1 0 344.459 2.544 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000806820025 1281158354 /nfs/dbraw/zinc/15/83/54/1281158354.db2.gz AUJJHZYLVWOSQV-QFBILLFUSA-N 1 0 344.503 2.829 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000806820024 1281158583 /nfs/dbraw/zinc/15/85/83/1281158583.db2.gz AUJJHZYLVWOSQV-LPHOPBHVSA-N 1 0 344.503 2.829 20 10 EFCDRO CCc1oc(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)cc1C ZINC001147592892 1281213287 /nfs/dbraw/zinc/21/32/87/1281213287.db2.gz HWGLGGBUORCVLP-UHFFFAOYSA-N 1 0 330.428 2.987 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccnc(C3CC3)c2)cc1C ZINC001130881049 1281257133 /nfs/dbraw/zinc/25/71/33/1281257133.db2.gz AXZGWMCNQBWSGT-UHFFFAOYSA-N 1 0 339.439 2.796 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000103611650 1281404942 /nfs/dbraw/zinc/40/49/42/1281404942.db2.gz NUUYCAIXBSZIOL-GJZGRUSLSA-N 1 0 349.475 2.881 20 10 EFCDRO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(O)c1O ZINC001148218732 1281457496 /nfs/dbraw/zinc/45/74/96/1281457496.db2.gz JAHKCMMALLZBIZ-UHFFFAOYSA-N 1 0 342.395 2.825 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H](C)n2cccc2)cc1C ZINC001148397282 1281528281 /nfs/dbraw/zinc/52/82/81/1281528281.db2.gz ZHZOPXFMBXPKDP-INIZCTEOSA-N 1 0 329.444 2.662 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccn3ccccc23)cc1C ZINC001131178514 1281601787 /nfs/dbraw/zinc/60/17/87/1281601787.db2.gz BSWIDTQCKJPZQG-UHFFFAOYSA-N 1 0 337.423 2.776 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@]23CCO[C@@H]2CCCC3)cc1C ZINC001131212330 1281613562 /nfs/dbraw/zinc/61/35/62/1281613562.db2.gz NONGPWPSWPOWBV-UYAOXDASSA-N 1 0 346.471 2.559 20 10 EFCDRO COCCOCC[N@H+](C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000808237392 1281621473 /nfs/dbraw/zinc/62/14/73/1281621473.db2.gz OGTSEROWNGPYTJ-UHFFFAOYSA-N 1 0 325.449 2.793 20 10 EFCDRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000808422175 1281709180 /nfs/dbraw/zinc/70/91/80/1281709180.db2.gz GRYHIYPAAMZVRE-CYBMUJFWSA-N 1 0 330.350 2.815 20 10 EFCDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000808437248 1281711168 /nfs/dbraw/zinc/71/11/68/1281711168.db2.gz JZNUTFNSESNDAA-KRWDZBQOSA-N 1 0 335.517 2.634 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H](O)c1ccccc1 ZINC000808446823 1281714971 /nfs/dbraw/zinc/71/49/71/1281714971.db2.gz WWSOTYOWCDHVQT-OXJNMPFZSA-N 1 0 326.440 2.735 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H](O)c1ccccc1 ZINC000808446826 1281715795 /nfs/dbraw/zinc/71/57/95/1281715795.db2.gz WWSOTYOWCDHVQT-UZLBHIALSA-N 1 0 326.440 2.735 20 10 EFCDRO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808706723 1281867622 /nfs/dbraw/zinc/86/76/22/1281867622.db2.gz RWDRXZITOZLNEI-YPMHNXCESA-N 1 0 325.840 2.808 20 10 EFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CCCCS2(=O)=O)c1O ZINC000808713093 1281870039 /nfs/dbraw/zinc/87/00/39/1281870039.db2.gz KFQYQUOYWVMAKG-DGCLKSJQSA-N 1 0 331.865 2.972 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)c1 ZINC000808722557 1281872382 /nfs/dbraw/zinc/87/23/82/1281872382.db2.gz FTXGCBPJQCMZNH-CSBKYJRVSA-N 1 0 332.444 2.698 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H]2CC[C@H](C3CC3)O2)cc1C ZINC001131590317 1282059146 /nfs/dbraw/zinc/05/91/46/1282059146.db2.gz YANNTXXLQSHADG-IEBWSBKVSA-N 1 0 346.471 2.557 20 10 EFCDRO CCC[C@](C)(CO)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000124075501 1287557625 /nfs/dbraw/zinc/55/76/25/1287557625.db2.gz RCEOGUCNNJBJPI-CQSZACIVSA-N 1 0 332.238 2.804 20 10 EFCDRO CC(=O)N1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000809537060 1282271771 /nfs/dbraw/zinc/27/17/71/1282271771.db2.gz GAJXJCAPMNJJAY-UHFFFAOYSA-N 1 0 349.478 2.913 20 10 EFCDRO CC(C)C[C@@H](C)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000809617429 1282319891 /nfs/dbraw/zinc/31/98/91/1282319891.db2.gz AGYAEKRXLFAUKU-MRXNPFEDSA-N 1 0 338.517 2.693 20 10 EFCDRO COC(=O)c1cc(C[NH2+]CCCSc2nccs2)cn1C ZINC000809622424 1282340144 /nfs/dbraw/zinc/34/01/44/1282340144.db2.gz GJHLXMWNLUQQLX-UHFFFAOYSA-N 1 0 325.459 2.540 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)cc1F ZINC000809700796 1282388855 /nfs/dbraw/zinc/38/88/55/1282388855.db2.gz OIEQXZFWDUGTHX-FUHWJXTLSA-N 1 0 349.494 2.967 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)cc1F ZINC000809700795 1282390823 /nfs/dbraw/zinc/39/08/23/1282390823.db2.gz OIEQXZFWDUGTHX-AEFFLSMTSA-N 1 0 349.494 2.967 20 10 EFCDRO CN(C)c1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1F ZINC000809728450 1282408242 /nfs/dbraw/zinc/40/82/42/1282408242.db2.gz XQOWPWCWTZVEQM-UHFFFAOYSA-N 1 0 332.379 2.765 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2COC(=O)N(C)C)c1 ZINC000809710507 1282421371 /nfs/dbraw/zinc/42/13/71/1282421371.db2.gz ZEXZKHUJIYVVRN-OAHLLOKOSA-N 1 0 336.432 2.844 20 10 EFCDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809724537 1282426963 /nfs/dbraw/zinc/42/69/63/1282426963.db2.gz OMJRSPNQVQPYLR-VQIMIIECSA-N 1 0 347.478 2.721 20 10 EFCDRO C[NH+](C)CCN(Cc1cccc(F)c1)Cc1cc2c(cc1O)OCO2 ZINC000809737702 1282435873 /nfs/dbraw/zinc/43/58/73/1282435873.db2.gz LHOBOMYNACGFQV-UHFFFAOYSA-N 1 0 346.402 2.824 20 10 EFCDRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccc(Cl)c1[O-] ZINC000809737938 1282437398 /nfs/dbraw/zinc/43/73/98/1282437398.db2.gz MSWZIWWYGJZKOP-MRXNPFEDSA-N 1 0 339.911 2.894 20 10 EFCDRO C[NH+](C)CCN(Cc1ccco1)Cc1ccc(N2CCOCC2)cc1 ZINC000809745877 1282446685 /nfs/dbraw/zinc/44/66/85/1282446685.db2.gz IKFDOYXNNJNIAU-UHFFFAOYSA-N 1 0 343.471 2.680 20 10 EFCDRO CCOc1ccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)c(O)c1 ZINC000809748883 1282448629 /nfs/dbraw/zinc/44/86/29/1282448629.db2.gz FYAUSQFVOMLUTK-UHFFFAOYSA-N 1 0 331.391 2.647 20 10 EFCDRO Cc1cc(Br)c(O)c(CN(C)CC[N@H+](C)C2CC2)c1 ZINC000809754678 1282456560 /nfs/dbraw/zinc/45/65/60/1282456560.db2.gz MFYPQPBLQOICNU-UHFFFAOYSA-N 1 0 327.266 2.989 20 10 EFCDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000809790788 1282490873 /nfs/dbraw/zinc/49/08/73/1282490873.db2.gz OKRHYMCSKJGAAO-LJQANCHMSA-N 1 0 336.451 2.647 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc(C(C)C)on2)cc1C ZINC001131991751 1282708013 /nfs/dbraw/zinc/70/80/13/1282708013.db2.gz XXWGLHVKZZYRNY-UHFFFAOYSA-N 1 0 331.416 2.635 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CC2)cc1 ZINC000810038774 1282801471 /nfs/dbraw/zinc/80/14/71/1282801471.db2.gz ZNEXUGRFAWCBGK-SFHVURJKSA-N 1 0 331.460 2.996 20 10 EFCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)c(O)c1 ZINC000815564603 1287598133 /nfs/dbraw/zinc/59/81/33/1287598133.db2.gz NMTJEAYOAXAATA-GOEBONIOSA-N 1 0 329.444 2.926 20 10 EFCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)c(O)c1 ZINC000815564605 1287598799 /nfs/dbraw/zinc/59/87/99/1287598799.db2.gz NMTJEAYOAXAATA-ZBFHGGJFSA-N 1 0 329.444 2.926 20 10 EFCDRO COC[C@@]1(C[NH2+]Cc2c(O)cccc2OC)OCCc2ccccc21 ZINC000810158122 1282987454 /nfs/dbraw/zinc/98/74/54/1282987454.db2.gz HXLRULOJFWSKDK-HXUWFJFHSA-N 1 0 343.423 2.605 20 10 EFCDRO Cn1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C1CC1 ZINC000810165023 1283000157 /nfs/dbraw/zinc/00/01/57/1283000157.db2.gz JSFYMIYGBUOXHA-UHFFFAOYSA-N 1 0 325.460 2.661 20 10 EFCDRO CS(=O)(=O)CC1CCC([NH2+]CCCSc2nccs2)CC1 ZINC000815581900 1287612389 /nfs/dbraw/zinc/61/23/89/1287612389.db2.gz SAWUZPYXGMMZCX-UHFFFAOYSA-N 1 0 348.559 2.818 20 10 EFCDRO CC[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000810216279 1283043403 /nfs/dbraw/zinc/04/34/03/1283043403.db2.gz SIABNBXXHYKMQH-LBPRGKRZSA-N 1 0 339.379 2.886 20 10 EFCDRO CC[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000810227674 1283055925 /nfs/dbraw/zinc/05/59/25/1283055925.db2.gz HCGYCESXGWKOQZ-BXKDBHETSA-N 1 0 339.379 2.885 20 10 EFCDRO CC[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(C(F)(F)F)cc1O ZINC000810228858 1283056558 /nfs/dbraw/zinc/05/65/58/1283056558.db2.gz MVHOXLLZKLTKMC-KGLIPLIRSA-N 1 0 343.349 2.919 20 10 EFCDRO CC[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(C(F)(F)F)cc1O ZINC000810228860 1283057670 /nfs/dbraw/zinc/05/76/70/1283057670.db2.gz MVHOXLLZKLTKMC-ZIAGYGMSSA-N 1 0 343.349 2.919 20 10 EFCDRO CCCCC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)nc(OC)c2)CC[C@@H]1C ZINC001132157281 1283062812 /nfs/dbraw/zinc/06/28/12/1283062812.db2.gz NIQCCOWIFAVDTM-HOCLYGCPSA-N 1 0 349.475 2.872 20 10 EFCDRO CC[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccc(C(F)(F)F)cc1O ZINC000810238651 1283090119 /nfs/dbraw/zinc/09/01/19/1283090119.db2.gz RRKOSTKXFQLCJY-DGFSRKRXSA-N 1 0 333.350 2.992 20 10 EFCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(CC(N)=O)cc2)c2c1c(F)ccc2O ZINC000810242040 1283094958 /nfs/dbraw/zinc/09/49/58/1283094958.db2.gz JEVXWGKPNXZKHS-XHDPSFHLSA-N 1 0 328.387 2.897 20 10 EFCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815592730 1287619325 /nfs/dbraw/zinc/61/93/25/1287619325.db2.gz QMNXWHDVBIJSPN-ZJUUUORDSA-N 1 0 339.379 2.885 20 10 EFCDRO CC(C)[N@H+]1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC001093240783 1283487604 /nfs/dbraw/zinc/48/76/04/1283487604.db2.gz HGSLOPFVKOHKTM-TZMCWYRMSA-N 1 0 331.420 2.555 20 10 EFCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1F ZINC000747658107 1283842611 /nfs/dbraw/zinc/84/26/11/1283842611.db2.gz KNJYDIUSKLEQHD-SFHVURJKSA-N 1 0 333.451 2.915 20 10 EFCDRO C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715793484 1284332733 /nfs/dbraw/zinc/33/27/33/1284332733.db2.gz VYZBUDUACCHPNV-JTQLQIEISA-N 1 0 331.229 2.725 20 10 EFCDRO CSC1(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCC1 ZINC000811486955 1284344379 /nfs/dbraw/zinc/34/43/79/1284344379.db2.gz PYTIKYIYTHQJDN-INIZCTEOSA-N 1 0 347.528 2.764 20 10 EFCDRO CC[C@@H](OC)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001093669284 1284360577 /nfs/dbraw/zinc/36/05/77/1284360577.db2.gz VOYVEGIMZKSWPF-KBAYOESNSA-N 1 0 348.487 2.613 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+]CC3(SC)CCC3)CC2)cc1 ZINC000811476476 1284362705 /nfs/dbraw/zinc/36/27/05/1284362705.db2.gz UVIZTDQLLVWFQM-UHFFFAOYSA-N 1 0 349.544 2.693 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2Cc3ccc(F)cc32)cc1C ZINC001132923856 1284472934 /nfs/dbraw/zinc/47/29/34/1284472934.db2.gz RCNKYWSVONOBDK-GOSISDBHSA-N 1 0 342.414 2.688 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cccc(F)c2F)cc1C ZINC001133045376 1284709103 /nfs/dbraw/zinc/70/91/03/1284709103.db2.gz QEMBKLUVKLVEKQ-UHFFFAOYSA-N 1 0 334.366 2.801 20 10 EFCDRO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000811931222 1284757733 /nfs/dbraw/zinc/75/77/33/1284757733.db2.gz AUOHJBCXZVDMPC-UONOGXRCSA-N 1 0 337.464 2.881 20 10 EFCDRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000811979300 1284770068 /nfs/dbraw/zinc/77/00/68/1284770068.db2.gz RNYWAQCAPSAQJT-INIZCTEOSA-N 1 0 334.508 2.981 20 10 EFCDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000811971617 1284787390 /nfs/dbraw/zinc/78/73/90/1284787390.db2.gz CSIRKQIQPPQOJX-ZIAGYGMSSA-N 1 0 337.464 2.881 20 10 EFCDRO Cc1cc(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000812336827 1285086265 /nfs/dbraw/zinc/08/62/65/1285086265.db2.gz ACEFOGMWIZDWOA-SJORKVTESA-N 1 0 338.455 2.513 20 10 EFCDRO C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C[NH2+]CCF ZINC001133353539 1285247063 /nfs/dbraw/zinc/24/70/63/1285247063.db2.gz DLTAMYBQRLBJHS-OCCSQVGLSA-N 1 0 349.410 2.506 20 10 EFCDRO CCCN(Cc1cc(C(=O)OC)c(C)n1C)c1ccc(C[NH3+])cc1 ZINC000812758955 1285405366 /nfs/dbraw/zinc/40/53/66/1285405366.db2.gz QKXZLOHYPVKXNL-UHFFFAOYSA-N 1 0 329.444 2.995 20 10 EFCDRO CCOc1cccc(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1O ZINC000812779228 1285412058 /nfs/dbraw/zinc/41/20/58/1285412058.db2.gz YZEUKKJQFWIUPL-SFHVURJKSA-N 1 0 342.439 2.970 20 10 EFCDRO CCOc1ccc(C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)c(O)c1 ZINC000812782928 1285416561 /nfs/dbraw/zinc/41/65/61/1285416561.db2.gz PJZLKSBILYIZEO-AWEZNQCLSA-N 1 0 344.386 2.825 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(F)F)C3)cc1C ZINC001094829886 1285665669 /nfs/dbraw/zinc/66/56/69/1285665669.db2.gz IAOFMTYBXFZRQI-ZNMIVQPWSA-N 1 0 338.398 2.738 20 10 EFCDRO C[C@H]1C[C@H]([NH2+]CCc2ccc(O)c(O)c2)CN1Cc1ccccc1 ZINC001171728216 1285745910 /nfs/dbraw/zinc/74/59/10/1285745910.db2.gz LMVLJFLUUAXTMS-YJBOKZPZSA-N 1 0 326.440 2.893 20 10 EFCDRO CCOCc1cc(C[NH2+][C@H]2CCc3nc(C)ncc3C2)ccc1OC ZINC000747853882 1285879522 /nfs/dbraw/zinc/87/95/22/1285879522.db2.gz HTOHJWGUTXYHSW-SFHVURJKSA-N 1 0 341.455 2.977 20 10 EFCDRO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+](C)Cc1ccc(N3CCOCC3)cc1)C2 ZINC001172120912 1286030175 /nfs/dbraw/zinc/03/01/75/1286030175.db2.gz HFDWUYJVCSSGIX-WKCHPHFGSA-N 1 0 343.515 2.970 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172190831 1286036997 /nfs/dbraw/zinc/03/69/97/1286036997.db2.gz SHHDEKSWICCHTL-OALUTQOASA-N 1 0 327.472 2.872 20 10 EFCDRO CCCOCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133883869 1286051601 /nfs/dbraw/zinc/05/16/01/1286051601.db2.gz HTRPZFKTKZRVPM-HZPDHXFCSA-N 1 0 336.476 2.803 20 10 EFCDRO CCOCCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133906672 1286089910 /nfs/dbraw/zinc/08/99/10/1286089910.db2.gz YSJLTFPAWZUAPE-JKSUJKDBSA-N 1 0 336.476 2.803 20 10 EFCDRO COCC(C)(C)C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000813789683 1286119136 /nfs/dbraw/zinc/11/91/36/1286119136.db2.gz AYLJWBVBGMMKPY-UHFFFAOYSA-N 1 0 332.238 2.926 20 10 EFCDRO CCOCC[C@@H](C)[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001172408150 1286126195 /nfs/dbraw/zinc/12/61/95/1286126195.db2.gz FSKCFXUKNVZDEO-GOSISDBHSA-N 1 0 349.519 2.612 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2cocn2)cc1C ZINC001133945820 1286154023 /nfs/dbraw/zinc/15/40/23/1286154023.db2.gz NFHCJKQLYALHDZ-ZIAGYGMSSA-N 1 0 331.416 2.678 20 10 EFCDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC001172607209 1286200817 /nfs/dbraw/zinc/20/08/17/1286200817.db2.gz VBAQUYMJPFCXAA-ZWNOBZJWSA-N 1 0 342.233 2.976 20 10 EFCDRO COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC001172607206 1286200953 /nfs/dbraw/zinc/20/09/53/1286200953.db2.gz VBAQUYMJPFCXAA-MFKMUULPSA-N 1 0 342.233 2.976 20 10 EFCDRO COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCN(c3ccc(OC)cc3C)CC2)C1 ZINC001172638363 1286215463 /nfs/dbraw/zinc/21/54/63/1286215463.db2.gz WTNNVXHROHJPSV-IAGOWNOFSA-N 1 0 346.471 2.857 20 10 EFCDRO COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001172764567 1286268562 /nfs/dbraw/zinc/26/85/62/1286268562.db2.gz FCIFMACNQXFVTA-ZWKOTPCHSA-N 1 0 346.471 2.735 20 10 EFCDRO c1nc2c(s1)C[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001173119899 1286416699 /nfs/dbraw/zinc/41/66/99/1286416699.db2.gz AYVUYTPZPUTCFP-HNNXBMFYSA-N 1 0 329.469 2.627 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@H]3CCc4ncsc4C3)CC2)cc1 ZINC001173131239 1286418719 /nfs/dbraw/zinc/41/87/19/1286418719.db2.gz BQFIZZISASFGNQ-HNNXBMFYSA-N 1 0 329.469 2.831 20 10 EFCDRO OCC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCOCC1 ZINC000747923865 1286437757 /nfs/dbraw/zinc/43/77/57/1286437757.db2.gz OGBRCTUZPDRQBO-UHFFFAOYSA-N 1 0 327.424 2.938 20 10 EFCDRO COc1cccc2c1C[C@H]([N@@H+]1CCCc3cc(O)c(O)cc3C1)CO2 ZINC001173167893 1286464885 /nfs/dbraw/zinc/46/48/85/1286464885.db2.gz LRJIBHHJURVAID-HNNXBMFYSA-N 1 0 341.407 2.858 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccncc2Cl)cc1C ZINC001134277567 1286521243 /nfs/dbraw/zinc/52/12/43/1286521243.db2.gz MQYMVXDSBKRJME-UHFFFAOYSA-N 1 0 333.819 2.572 20 10 EFCDRO COc1ccc(C(=O)N2CCC([NH2+]Cc3ccccc3O)CC2)cc1 ZINC001173398493 1286559339 /nfs/dbraw/zinc/55/93/39/1286559339.db2.gz LSGQXDYODMPUKU-UHFFFAOYSA-N 1 0 340.423 2.795 20 10 EFCDRO CCOC(=O)CN(CC[NH3+])c1ccc(OCc2ccccc2F)cc1 ZINC001170995049 1289083858 /nfs/dbraw/zinc/08/38/58/1289083858.db2.gz FTGOHRKWTVVRNB-UHFFFAOYSA-N 1 0 346.402 2.733 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cccc(OC)c2C)cc1C ZINC001134390700 1286674865 /nfs/dbraw/zinc/67/48/65/1286674865.db2.gz SAHWYWJVHDBIDL-UHFFFAOYSA-N 1 0 342.439 2.840 20 10 EFCDRO CCOC(=O)C[C@H]1CC[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001173661075 1286740867 /nfs/dbraw/zinc/74/08/67/1286740867.db2.gz OUPGEHJRNPBWQQ-XJKSGUPXSA-N 1 0 333.428 2.968 20 10 EFCDRO Cc1cc(CN2CC[C@@H](F)[C@@H]([NH3+])CC2)c(O)cc1Br ZINC001206209971 1286758298 /nfs/dbraw/zinc/75/82/98/1286758298.db2.gz JEGXLWWLNNIJKV-OLZOCXBDSA-N 1 0 331.229 2.724 20 10 EFCDRO Cc1c[nH+]ccc1Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001174539821 1287038379 /nfs/dbraw/zinc/03/83/79/1287038379.db2.gz SGYIJTVHGGXUTG-UHFFFAOYSA-N 1 0 329.359 2.913 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H](C)c2cccnc2)cc1C ZINC001134735929 1287124034 /nfs/dbraw/zinc/12/40/34/1287124034.db2.gz WTYQUWXTQJKSGZ-OAHLLOKOSA-N 1 0 341.455 2.798 20 10 EFCDRO CCC[N@H+](Cc1ccc2ccccc2c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000816482066 1288153763 /nfs/dbraw/zinc/15/37/63/1288153763.db2.gz SWURLOGOWFZSKV-MRXNPFEDSA-N 1 0 333.453 2.945 20 10 EFCDRO CCC[N@H+](Cc1ccc2ccccc2c1O)[C@H]1CCS(=O)(=O)C1 ZINC000816482065 1288153987 /nfs/dbraw/zinc/15/39/87/1288153987.db2.gz SWURLOGOWFZSKV-INIZCTEOSA-N 1 0 333.453 2.945 20 10 EFCDRO Oc1c(CN2CC[NH+](C[C@H]3CCOC3)CC2)ccc2ccccc21 ZINC000816517298 1288186184 /nfs/dbraw/zinc/18/61/84/1288186184.db2.gz LGVIKAOXGBBPAZ-MRXNPFEDSA-N 1 0 326.440 2.700 20 10 EFCDRO Cc1nccnc1N1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816599241 1288219216 /nfs/dbraw/zinc/21/92/16/1288219216.db2.gz GZHAERFJHGPNSR-UHFFFAOYSA-N 1 0 334.423 2.966 20 10 EFCDRO OCC1([C@H]([NH2+]Cc2cc(Cl)ccc2O)C2CC2)CCOCC1 ZINC000816656995 1288230676 /nfs/dbraw/zinc/23/06/76/1288230676.db2.gz IBLCAFSYMVKENB-MRXNPFEDSA-N 1 0 325.836 2.703 20 10 EFCDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000816662800 1288234721 /nfs/dbraw/zinc/23/47/21/1288234721.db2.gz YWYJBZUVZJQZAH-FQEVSTJZSA-N 1 0 332.488 2.754 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CO)CC2)c1O ZINC000816666524 1288236341 /nfs/dbraw/zinc/23/63/41/1288236341.db2.gz OZKRJBRLLBOEIG-LLVKDONJSA-N 1 0 344.249 2.758 20 10 EFCDRO CCOCc1cc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)ccc1OC ZINC000816667700 1288249790 /nfs/dbraw/zinc/24/97/90/1288249790.db2.gz UQTWZIPEWURRTJ-VQTJNVASSA-N 1 0 349.471 2.641 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)COc1ccccc1 ZINC001177186015 1288324037 /nfs/dbraw/zinc/32/40/37/1288324037.db2.gz AZYSBAFQMRKSRZ-LJQANCHMSA-N 1 0 326.440 2.816 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2oncc2C)cc1C ZINC001135848750 1288481449 /nfs/dbraw/zinc/48/14/49/1288481449.db2.gz MQGAHIZMOXHOEU-GJZGRUSLSA-N 1 0 345.443 2.987 20 10 EFCDRO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000817370324 1288562653 /nfs/dbraw/zinc/56/26/53/1288562653.db2.gz NPWSZIAXJNIWCA-JSGCOSHPSA-N 1 0 349.427 2.921 20 10 EFCDRO CCOCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001178328281 1288753911 /nfs/dbraw/zinc/75/39/11/1288753911.db2.gz NVHDICQBWOOAIV-RDJZCZTQSA-N 1 0 334.460 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC[C@H](C)OC)[C@H]2C)cc1C ZINC001178538413 1288810345 /nfs/dbraw/zinc/81/03/45/1288810345.db2.gz RZBVYAWEPXJESY-BQFCYCMXSA-N 1 0 348.487 2.898 20 10 EFCDRO Cc1ccc(O)c(C[N@H+](C)CCCN2C(=O)c3ccccc3C2=O)c1 ZINC000822525841 1289009680 /nfs/dbraw/zinc/00/96/80/1289009680.db2.gz OWJDQURZQHRNQK-UHFFFAOYSA-N 1 0 338.407 2.819 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@@](C)(O)[C@H](C)C2)c2ccccc2n1C ZINC001232402356 1312693811 /nfs/dbraw/zinc/69/38/11/1312693811.db2.gz MBJAJMDMMNATIY-BFUOFWGJSA-N 1 0 330.428 2.558 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c2ccccc2n1C ZINC001232401654 1312693856 /nfs/dbraw/zinc/69/38/56/1312693856.db2.gz ANCRZVBVTHGREV-RDTXWAMCSA-N 1 0 342.439 2.966 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)c2ccccc2n1C ZINC001232401894 1312694381 /nfs/dbraw/zinc/69/43/81/1312694381.db2.gz FWNIYBXDGVOKPM-GUYCJALGSA-N 1 0 330.428 2.558 20 10 EFCDRO COc1cc([C@H](C)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)on1 ZINC000903448386 1312694606 /nfs/dbraw/zinc/69/46/06/1312694606.db2.gz OFZLWXPNKWPQOV-XJKSGUPXSA-N 1 0 332.448 2.703 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@H](OC(C)C)C2)c2ccccc2n1C ZINC001232405248 1312694824 /nfs/dbraw/zinc/69/48/24/1312694824.db2.gz IUBBMEBHGGPIAM-AWEZNQCLSA-N 1 0 330.428 2.964 20 10 EFCDRO COC(=O)c1c(CN2CCC[N@@H+]3CCC[C@H]3C2)c2ccccc2n1C ZINC001232405583 1312695405 /nfs/dbraw/zinc/69/54/05/1312695405.db2.gz NKHQAPLMFCOYCZ-HNNXBMFYSA-N 1 0 341.455 2.635 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@]3(C2)CCCOC3)c2ccccc2n1C ZINC001232406089 1312695505 /nfs/dbraw/zinc/69/55/05/1312695505.db2.gz UFGADSCTYSHSLO-FQEVSTJZSA-N 1 0 342.439 2.967 20 10 EFCDRO COC(=O)c1c(CN2CC([NH+]3CCCCC3)C2)c2ccccc2n1C ZINC001232406856 1312695675 /nfs/dbraw/zinc/69/56/75/1312695675.db2.gz ZYPLZFPADVSJDX-UHFFFAOYSA-N 1 0 341.455 2.635 20 10 EFCDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@H](n3ccnn3)C2)c1O ZINC000823469206 1289312101 /nfs/dbraw/zinc/31/21/01/1289312101.db2.gz RGSJGGVDEMGNEE-AWEZNQCLSA-N 1 0 334.807 2.677 20 10 EFCDRO COC(=O)c1cccc2n[nH]c(C[N@H+](C)Cc3ccccc3O)c21 ZINC001232440199 1312705071 /nfs/dbraw/zinc/70/50/71/1312705071.db2.gz UJULLSLQDOTBKK-UHFFFAOYSA-N 1 0 325.368 2.687 20 10 EFCDRO Cn1nc(C2CC2)cc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000823671979 1289408355 /nfs/dbraw/zinc/40/83/55/1289408355.db2.gz ZHPATZCKXFKOKT-UHFFFAOYSA-N 1 0 344.434 2.563 20 10 EFCDRO CN(C)c1ccc(/C=C/C(=O)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001180129703 1289412754 /nfs/dbraw/zinc/41/27/54/1289412754.db2.gz CPPNWTHSTNVYGD-JBLFKPICSA-N 1 0 327.472 2.897 20 10 EFCDRO COCC[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001180177326 1289428496 /nfs/dbraw/zinc/42/84/96/1289428496.db2.gz KBCNIGBDTWVCFJ-ZVZYQTTQSA-N 1 0 348.487 2.755 20 10 EFCDRO COc1ccc(C[NH2+]CC2(N(C)C)CCCC2)cc1Cn1cccn1 ZINC000873008819 1289516512 /nfs/dbraw/zinc/51/65/12/1289516512.db2.gz DIBHWSYXWVJHKY-UHFFFAOYSA-N 1 0 342.487 2.904 20 10 EFCDRO COc1ccc(CNCCC[N@H+](C)C(C)C)cc1Cn1cccn1 ZINC000873010507 1289518414 /nfs/dbraw/zinc/51/84/14/1289518414.db2.gz IMTIMUBNGCWTTB-UHFFFAOYSA-N 1 0 330.476 2.760 20 10 EFCDRO COc1ccc(C[NH2+]CCCn2ccnc2C)cc1Cn1cccn1 ZINC000873016752 1289522555 /nfs/dbraw/zinc/52/25/55/1289522555.db2.gz QYZPKZXLFWRXQG-UHFFFAOYSA-N 1 0 339.443 2.625 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NCCCCCC[NH2+]CCF)cc1 ZINC001180418786 1289529634 /nfs/dbraw/zinc/52/96/34/1289529634.db2.gz HCIXCSJCQGFITQ-UHFFFAOYSA-N 1 0 337.399 2.698 20 10 EFCDRO CC[C@H](C)[N@H+](C)CCNCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873037084 1289533885 /nfs/dbraw/zinc/53/38/85/1289533885.db2.gz LXXRQGPTSAMPMR-INIZCTEOSA-N 1 0 330.476 2.760 20 10 EFCDRO CCN(CC)C[C@@H](C)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873042713 1289537362 /nfs/dbraw/zinc/53/73/62/1289537362.db2.gz HFYLAMDMSZNAHA-MRXNPFEDSA-N 1 0 330.476 2.760 20 10 EFCDRO COc1ccc(C[NH2+]Cc2cccc(CO)c2)cc1Cn1cccn1 ZINC000873046256 1289538288 /nfs/dbraw/zinc/53/82/88/1289538288.db2.gz NZFUBSQJMNCEQV-UHFFFAOYSA-N 1 0 337.423 2.722 20 10 EFCDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873051311 1289540521 /nfs/dbraw/zinc/54/05/21/1289540521.db2.gz HUDBQJBOMRSVSM-KXBFYZLASA-N 1 0 331.460 2.827 20 10 EFCDRO COc1ccc(C[NH2+]CCc2ccc(C)nc2)cc1Cn1cccn1 ZINC000873051789 1289540993 /nfs/dbraw/zinc/54/09/93/1289540993.db2.gz PATRGGQFRHUPFM-UHFFFAOYSA-N 1 0 336.439 2.976 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1Cn1cccn1 ZINC000873060567 1289545482 /nfs/dbraw/zinc/54/54/82/1289545482.db2.gz JGKUFWGXQCNJTM-MAUKXSAKSA-N 1 0 329.444 2.581 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(C)o2)cc1Cn1cccn1 ZINC000873060423 1289545856 /nfs/dbraw/zinc/54/58/56/1289545856.db2.gz IASAELAOXYFJLV-QGZVFWFLSA-N 1 0 341.411 2.665 20 10 EFCDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873066409 1289549122 /nfs/dbraw/zinc/54/91/22/1289549122.db2.gz UZYBQXFJHCCCFZ-QAPCUYQASA-N 1 0 331.460 2.827 20 10 EFCDRO CCCOc1ccc(C[NH2+]CC2(CS(C)(=O)=O)CC2)cc1C ZINC000873072079 1289553129 /nfs/dbraw/zinc/55/31/29/1289553129.db2.gz STJJJMCJYSWCDI-UHFFFAOYSA-N 1 0 325.474 2.698 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@H]2CCc3nc(COC)nn3C2)cc1C ZINC000873076402 1289555557 /nfs/dbraw/zinc/55/55/57/1289555557.db2.gz KBMCYNLVMRPTBY-MRXNPFEDSA-N 1 0 344.459 2.626 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1Cn1cccn1 ZINC000873079036 1289556550 /nfs/dbraw/zinc/55/65/50/1289556550.db2.gz BWVWUNVNYOAMGX-QGZVFWFLSA-N 1 0 337.427 2.830 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H]2CCOC2)cc1Cn1cccn1 ZINC000873078087 1289556657 /nfs/dbraw/zinc/55/66/57/1289556657.db2.gz DGFMXHRHSMDZQA-DOTOQJQBSA-N 1 0 329.444 2.845 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)Cc2cc(C)n[nH]2)cc1Cn1cccn1 ZINC000873079856 1289557145 /nfs/dbraw/zinc/55/71/45/1289557145.db2.gz ITXWPFNUWHHSHC-AWEZNQCLSA-N 1 0 339.443 2.692 20 10 EFCDRO COc1ccc(C[NH2+]C2C[C@@H](C)O[C@H](C)C2)cc1Cn1cccn1 ZINC000873099463 1289568883 /nfs/dbraw/zinc/56/88/83/1289568883.db2.gz JWKVYWFNFPTJGS-HUUCEWRRSA-N 1 0 329.444 2.986 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1Cn1cccn1 ZINC000873110503 1289571642 /nfs/dbraw/zinc/57/16/42/1289571642.db2.gz QMPSQOSVQCXWEI-SJLPKXTDSA-N 1 0 329.444 2.581 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)cc1Cn1cccn1 ZINC000873114514 1289574160 /nfs/dbraw/zinc/57/41/60/1289574160.db2.gz JDOYWPLLLHHOCV-GOSISDBHSA-N 1 0 349.434 2.903 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](CO)CC2CCC2)cc1Cn1cccn1 ZINC000873117040 1289576042 /nfs/dbraw/zinc/57/60/42/1289576042.db2.gz GZKNUJSTVAOMEY-GOSISDBHSA-N 1 0 329.444 2.581 20 10 EFCDRO CCC[C@]1([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CCOC1 ZINC000873126202 1289581647 /nfs/dbraw/zinc/58/16/47/1289581647.db2.gz PJEIKWFLXYGQBP-IBGZPJMESA-N 1 0 329.444 2.989 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](CO)C2CCCC2)cc1Cn1cccn1 ZINC000873127131 1289583296 /nfs/dbraw/zinc/58/32/96/1289583296.db2.gz ISOUAVVBESWKDV-SFHVURJKSA-N 1 0 329.444 2.581 20 10 EFCDRO COc1ccc(C[NH2+]CCC[C@@H]2CCOC2)cc1Cn1cccn1 ZINC000873129029 1289584695 /nfs/dbraw/zinc/58/46/95/1289584695.db2.gz FLJLQTYPYGXYMX-MRXNPFEDSA-N 1 0 329.444 2.846 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](OC)C23CCC3)cc1Cn1cccn1 ZINC000873130984 1289586199 /nfs/dbraw/zinc/58/61/99/1289586199.db2.gz NFUGSPYZWKLGTG-RBUKOAKNSA-N 1 0 341.455 2.987 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](OC)C2CC2)cc1Cn1cccn1 ZINC000873129749 1289586506 /nfs/dbraw/zinc/58/65/06/1289586506.db2.gz RNEQCNDAHSZTJH-IFXJQAMLSA-N 1 0 329.444 2.843 20 10 EFCDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204277229 1289604519 /nfs/dbraw/zinc/60/45/19/1289604519.db2.gz WVXNMEUFGXPMOE-ZDUSSCGKSA-N 1 0 336.432 2.787 20 10 EFCDRO CCOC(=O)[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC12COC2 ZINC000824489259 1289665957 /nfs/dbraw/zinc/66/59/57/1289665957.db2.gz IHBTYBZAZPNEKM-QGZVFWFLSA-N 1 0 341.407 2.557 20 10 EFCDRO Cn1ncc(C2CC2)c1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000824534997 1289686051 /nfs/dbraw/zinc/68/60/51/1289686051.db2.gz LQSBMLNBMSBHRZ-UHFFFAOYSA-N 1 0 340.471 2.766 20 10 EFCDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000824554599 1289697902 /nfs/dbraw/zinc/69/79/02/1289697902.db2.gz IBLCSIZTGVQBLV-OAHLLOKOSA-N 1 0 346.393 2.970 20 10 EFCDRO COCCOC1(C[NH2+]Cc2ccc3ccccc3c2O)CCOCC1 ZINC000824590151 1289713632 /nfs/dbraw/zinc/71/36/32/1289713632.db2.gz KWTGCGDCICDKKZ-UHFFFAOYSA-N 1 0 345.439 2.847 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3nnc(C(C)C)[nH]3)CC2)cc1 ZINC000824602921 1289721839 /nfs/dbraw/zinc/72/18/39/1289721839.db2.gz HKWNQHLCDSXYJH-UHFFFAOYSA-N 1 0 329.448 2.695 20 10 EFCDRO CC[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016369044 1312747515 /nfs/dbraw/zinc/74/75/15/1312747515.db2.gz QQVPOSHETCYDAV-SWLSCSKDSA-N 1 0 331.420 2.699 20 10 EFCDRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2cc(Cl)c3cccnc3c2O)C1 ZINC001181982776 1290021378 /nfs/dbraw/zinc/02/13/78/1290021378.db2.gz RRQNHBGJBIXSNP-LBPRGKRZSA-N 1 0 347.846 2.940 20 10 EFCDRO C[NH+]1CCC(C)(C(=O)NCc2cc(Cl)c3cccnc3c2O)CC1 ZINC001181990000 1290025829 /nfs/dbraw/zinc/02/58/29/1290025829.db2.gz GXOFQQGCJZGMKV-UHFFFAOYSA-N 1 0 347.846 2.942 20 10 EFCDRO COc1ccc(N2CC[NH+](Cc3cncc4cnccc43)CC2)cc1 ZINC001232648025 1312751456 /nfs/dbraw/zinc/75/14/56/1312751456.db2.gz VNKHXAYKQFHPIP-UHFFFAOYSA-N 1 0 334.423 2.961 20 10 EFCDRO C[NH+]1C(C)(C)CC(NC(=O)CCc2ccc(O)c(O)c2)CC1(C)C ZINC001182155873 1290095681 /nfs/dbraw/zinc/09/56/81/1290095681.db2.gz ULVHSQHQUAWNSJ-UHFFFAOYSA-N 1 0 334.460 2.798 20 10 EFCDRO O=C(CCc1ccc(O)c(O)c1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001182157148 1290098122 /nfs/dbraw/zinc/09/81/22/1290098122.db2.gz INJLAJZHKYNRSI-OAHLLOKOSA-N 1 0 332.444 2.554 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC3(OC)CCC3)C2)cc1C ZINC001182229415 1290112618 /nfs/dbraw/zinc/11/26/18/1290112618.db2.gz OHPSJMGBVFSZSY-QGZVFWFLSA-N 1 0 346.471 2.653 20 10 EFCDRO CCO[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)C(C)C ZINC001182489152 1290216173 /nfs/dbraw/zinc/21/61/73/1290216173.db2.gz GWPXYJYNXRMZOL-MJGOQNOKSA-N 1 0 348.487 2.755 20 10 EFCDRO C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000874196980 1290225977 /nfs/dbraw/zinc/22/59/77/1290225977.db2.gz CDKLMBOUDYAQHR-MRXNPFEDSA-N 1 0 347.503 2.678 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000247345937 1290325932 /nfs/dbraw/zinc/32/59/32/1290325932.db2.gz GJHKYBCBUIYFAD-IEBWSBKVSA-N 1 0 329.488 2.976 20 10 EFCDRO CC(C)[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001037136617 1290432654 /nfs/dbraw/zinc/43/26/54/1290432654.db2.gz XERQOIQMMLMELY-HIFRSBDPSA-N 1 0 331.420 2.746 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H](C)CCC[C@@H]1C)cc2=O ZINC000125403955 1290522122 /nfs/dbraw/zinc/52/21/22/1290522122.db2.gz AGFFFHPRVAARNI-OLZOCXBDSA-N 1 0 346.431 2.622 20 10 EFCDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232835780 1312791555 /nfs/dbraw/zinc/79/15/55/1312791555.db2.gz HSPUBQNEUACHEU-AWEZNQCLSA-N 1 0 349.475 2.899 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)CC[C@@]1(O)C(F)(F)F ZINC001232836969 1312791588 /nfs/dbraw/zinc/79/15/88/1312791588.db2.gz XYSXNHTYZFNIKB-ABAIWWIYSA-N 1 0 332.366 2.593 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC3(CC(F)(F)CO3)CC2)c(O)c1 ZINC001232836549 1312791753 /nfs/dbraw/zinc/79/17/53/1312791753.db2.gz PRWYKXUXHNYBGU-UHFFFAOYSA-N 1 0 326.387 2.848 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)CCN1C(=O)OC(C)(C)C ZINC001232835976 1312791908 /nfs/dbraw/zinc/79/19/08/1312791908.db2.gz JIHIVWCEJBSKTC-AWEZNQCLSA-N 1 0 349.475 2.899 20 10 EFCDRO Cc1ccc2c(n1)N(C)CC[N@@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232837723 1312792406 /nfs/dbraw/zinc/79/24/06/1312792406.db2.gz APEDVEMVPXHRIG-UHFFFAOYSA-N 1 0 326.444 2.614 20 10 EFCDRO CC(=O)N1CCCCC12CC[NH+](Cc1ccc(N(C)C)cc1O)CC2 ZINC001232838320 1312792554 /nfs/dbraw/zinc/79/25/54/1312792554.db2.gz DSRKDFJDJNTOQM-UHFFFAOYSA-N 1 0 345.487 2.825 20 10 EFCDRO CC(C)CC(=O)N1CCC[N@H+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232840697 1312793276 /nfs/dbraw/zinc/79/32/76/1312793276.db2.gz HILOXDCQTXVUGA-UHFFFAOYSA-N 1 0 333.476 2.539 20 10 EFCDRO Cc1cccc(N2CCC[N@@H+](Cc3ccc(N(C)C)cc3O)CC2)n1 ZINC001232840240 1312793301 /nfs/dbraw/zinc/79/33/01/1312793301.db2.gz QPMIENXTRGXTJH-UHFFFAOYSA-N 1 0 340.471 2.874 20 10 EFCDRO COc1cccnc1O[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232842018 1312793645 /nfs/dbraw/zinc/79/36/45/1312793645.db2.gz XALQGWFUCOPDPV-INIZCTEOSA-N 1 0 343.427 2.515 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+]Cc1cnc2n1CCCC2 ZINC000825843164 1290760028 /nfs/dbraw/zinc/76/00/28/1290760028.db2.gz OPSVKSMPJBZAHZ-UHFFFAOYSA-N 1 0 336.233 2.977 20 10 EFCDRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000247987148 1290771349 /nfs/dbraw/zinc/77/13/49/1290771349.db2.gz IYIGMBYJEHRSRJ-URLQWDBASA-N 1 0 336.451 2.864 20 10 EFCDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccc(N(C)C)cc2)C[C@@H](C)O1 ZINC000092506426 1290782136 /nfs/dbraw/zinc/78/21/36/1290782136.db2.gz UGZADKZGWWWZDE-HLIPFELVSA-N 1 0 331.504 2.826 20 10 EFCDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000092664324 1290801424 /nfs/dbraw/zinc/80/14/24/1290801424.db2.gz BMKQIMMHWFLZJF-RTBURBONSA-N 1 0 344.547 2.743 20 10 EFCDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000092664319 1290802372 /nfs/dbraw/zinc/80/23/72/1290802372.db2.gz BMKQIMMHWFLZJF-OALUTQOASA-N 1 0 344.547 2.743 20 10 EFCDRO C[N@@H+]1CCC[C@H](C(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)C1 ZINC001186351024 1290936415 /nfs/dbraw/zinc/93/64/15/1290936415.db2.gz LBOPHHDPPZDQTK-OLHLKOIRSA-N 1 0 338.415 2.947 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccccc1O ZINC000876615801 1290956643 /nfs/dbraw/zinc/95/66/43/1290956643.db2.gz LMOGWBLPZWCXIF-UHFFFAOYSA-N 1 0 326.440 2.985 20 10 EFCDRO CCO[C@@H]1CC[N@H+](Cc2ccc(I)cc2O)C1 ZINC001232977690 1312824637 /nfs/dbraw/zinc/82/46/37/1312824637.db2.gz JCTRYGUBFGQRTH-GFCCVEGCSA-N 1 0 347.196 2.608 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N(C)CC[NH+]2CCCC2)c1 ZINC001186839239 1291020447 /nfs/dbraw/zinc/02/04/47/1291020447.db2.gz APWDJIOJIXPUHC-UHFFFAOYSA-N 1 0 341.455 2.968 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]([NH3+])c1cccc(OC)c1 ZINC000876873799 1291053946 /nfs/dbraw/zinc/05/39/46/1291053946.db2.gz QKZIXEVQJSPHJS-LJQANCHMSA-N 1 0 341.455 2.810 20 10 EFCDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876916719 1291071178 /nfs/dbraw/zinc/07/11/78/1291071178.db2.gz YXQWTEFRMZSJAM-INIZCTEOSA-N 1 0 342.487 2.579 20 10 EFCDRO CC(C)C[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)N(C)C ZINC000876923902 1291074858 /nfs/dbraw/zinc/07/48/58/1291074858.db2.gz GWJWZLXBVXAWTN-IBGZPJMESA-N 1 0 333.520 2.714 20 10 EFCDRO CC(C)[C@@H](CNCc1ccc(N2CCC(O)CC2)cc1)[NH+]1CCCC1 ZINC000876923935 1291074883 /nfs/dbraw/zinc/07/48/83/1291074883.db2.gz JIKBEKAVCYIAJQ-OAQYLSRUSA-N 1 0 345.531 2.858 20 10 EFCDRO Cc1cccc(O)c1C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000876950344 1291082765 /nfs/dbraw/zinc/08/27/65/1291082765.db2.gz KXIPUAFYVIJZKZ-CQSZACIVSA-N 1 0 348.468 2.802 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc(O)c(O)c(O)c1 ZINC001233013663 1312832428 /nfs/dbraw/zinc/83/24/28/1312832428.db2.gz RSOKRKMISGAHCT-AWEZNQCLSA-N 1 0 328.412 2.510 20 10 EFCDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876964731 1291089386 /nfs/dbraw/zinc/08/93/86/1291089386.db2.gz OLSKYUVTXKRGTK-MSOLQXFVSA-N 1 0 345.531 2.858 20 10 EFCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)CC(C)C ZINC000876966659 1291089901 /nfs/dbraw/zinc/08/99/01/1291089901.db2.gz YLPOFOKQRQWMBW-KRWDZBQOSA-N 1 0 338.467 2.938 20 10 EFCDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C)cc2O)ccc1OCCO ZINC000876967660 1291090340 /nfs/dbraw/zinc/09/03/40/1291090340.db2.gz KHPXFQIELIQCNF-CQSZACIVSA-N 1 0 331.412 2.931 20 10 EFCDRO OCc1ccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000876966232 1291090842 /nfs/dbraw/zinc/09/08/42/1291090842.db2.gz RWXBUJHDEBYDRG-UHFFFAOYSA-N 1 0 340.467 2.677 20 10 EFCDRO COc1cc([C@@H](C)[NH2+]Cc2c(C)cccc2O)ccc1OCCO ZINC000876968285 1291091504 /nfs/dbraw/zinc/09/15/04/1291091504.db2.gz PSXANJDQQHWPFJ-CQSZACIVSA-N 1 0 331.412 2.931 20 10 EFCDRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000876986504 1291098966 /nfs/dbraw/zinc/09/89/66/1291098966.db2.gz HDASTMMHHHXODW-SOLBZPMBSA-N 1 0 345.487 2.621 20 10 EFCDRO CCc1nc(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cs1 ZINC000876996894 1291101390 /nfs/dbraw/zinc/10/13/90/1291101390.db2.gz HNGSHKXLXSUVOA-UHFFFAOYSA-N 1 0 345.512 2.999 20 10 EFCDRO Cc1cccc(O[C@@H]2CCCN(Cc3cc(O)c(O)c(O)c3)C2)n1 ZINC001233015210 1312832297 /nfs/dbraw/zinc/83/22/97/1312832297.db2.gz FKUHYQDRAVJVKC-CQSZACIVSA-N 1 0 330.384 2.550 20 10 EFCDRO CCN1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877037621 1291112762 /nfs/dbraw/zinc/11/27/62/1291112762.db2.gz STGFPFJBPVISFW-LJQANCHMSA-N 1 0 331.504 2.612 20 10 EFCDRO C[C@H](c1ccccc1)[NH+]1CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233015751 1312832778 /nfs/dbraw/zinc/83/27/78/1312832778.db2.gz ABIOZLLACPVTKH-CQSZACIVSA-N 1 0 328.412 2.682 20 10 EFCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccsc1 ZINC000877050543 1291116976 /nfs/dbraw/zinc/11/69/76/1291116976.db2.gz BZWLFQJGLDOAIG-LJQANCHMSA-N 1 0 346.496 2.707 20 10 EFCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000877064420 1291122950 /nfs/dbraw/zinc/12/29/50/1291122950.db2.gz SMIYOCWPPVWBNP-ZIFCJYIRSA-N 1 0 336.435 2.947 20 10 EFCDRO OC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCCC1 ZINC000877067695 1291124738 /nfs/dbraw/zinc/12/47/38/1291124738.db2.gz LDFKPDNYORBVQF-HXUWFJFHSA-N 1 0 332.488 2.679 20 10 EFCDRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N(C)c1ccc(N)cc1 ZINC000877076309 1291126920 /nfs/dbraw/zinc/12/69/20/1291126920.db2.gz KXONMXAOBOLTHS-UHFFFAOYSA-N 1 0 330.457 2.777 20 10 EFCDRO CCc1cc(N2CCC([NH2+]Cc3ccc(C)cc3O)CC2)ncn1 ZINC000877079699 1291128052 /nfs/dbraw/zinc/12/80/52/1291128052.db2.gz JFXIICWVRHZINF-UHFFFAOYSA-N 1 0 326.444 2.812 20 10 EFCDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCC[C@@H]1O ZINC000877082279 1291129505 /nfs/dbraw/zinc/12/95/05/1291129505.db2.gz ZIVDUMIBZKNRQI-PMACEKPBSA-N 1 0 332.488 2.679 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]4OCC[C@@H]43)cc2)CC1 ZINC000877087509 1291131283 /nfs/dbraw/zinc/13/12/83/1291131283.db2.gz ZIKTXGWIFBQFTM-VAMGGRTRSA-N 1 0 330.472 2.695 20 10 EFCDRO Cc1cccc(O)c1CNc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000877159393 1291151777 /nfs/dbraw/zinc/15/17/77/1291151777.db2.gz DVHYFVHCRDSUBJ-UHFFFAOYSA-N 1 0 341.411 2.782 20 10 EFCDRO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877187845 1291158289 /nfs/dbraw/zinc/15/82/89/1291158289.db2.gz JWESRCRBJYCHTA-IBGZPJMESA-N 1 0 346.471 2.565 20 10 EFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534702 1291165870 /nfs/dbraw/zinc/16/58/70/1291165870.db2.gz KULUBSFNUJYAMK-AWEZNQCLSA-N 1 0 328.372 2.690 20 10 EFCDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000877325463 1291193162 /nfs/dbraw/zinc/19/31/62/1291193162.db2.gz IVOPMPRVEPKRKX-UHFFFAOYSA-N 1 0 341.455 2.683 20 10 EFCDRO Cc1cccc(O)c1C[NH+]1CCN(c2nccc(C(C)C)n2)CC1 ZINC000877392251 1291220682 /nfs/dbraw/zinc/22/06/82/1291220682.db2.gz QNMZPDFOZSFSBI-UHFFFAOYSA-N 1 0 326.444 2.936 20 10 EFCDRO Cc1ccc(C[N@@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)c(O)c1 ZINC000877442011 1291235580 /nfs/dbraw/zinc/23/55/80/1291235580.db2.gz RVNFKUBJTQGJMA-OAQYLSRUSA-N 1 0 340.467 2.769 20 10 EFCDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000795697513 1291239391 /nfs/dbraw/zinc/23/93/91/1291239391.db2.gz DWSOTSZCHYIVJZ-HNAYVOBHSA-N 1 0 330.472 2.566 20 10 EFCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877517209 1291255449 /nfs/dbraw/zinc/25/54/49/1291255449.db2.gz MJRYUMBRRZJWIB-WPCMGHOJSA-N 1 0 342.483 2.503 20 10 EFCDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877522847 1291258920 /nfs/dbraw/zinc/25/89/20/1291258920.db2.gz SGLNWMKOWANAOU-DYESRHJHSA-N 1 0 343.515 2.706 20 10 EFCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1(C)C ZINC000877565029 1291276864 /nfs/dbraw/zinc/27/68/64/1291276864.db2.gz ARNXBNIHPHUOBD-LJQANCHMSA-N 1 0 332.488 2.895 20 10 EFCDRO O[C@@H]1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877563761 1291276966 /nfs/dbraw/zinc/27/69/66/1291276966.db2.gz PGLXVIVAJAPGMB-PWRODBHTSA-N 1 0 344.499 2.773 20 10 EFCDRO C[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(=O)OC(C)(C)C ZINC000877618413 1291293210 /nfs/dbraw/zinc/29/32/10/1291293210.db2.gz SMTJACIYXNERNS-OAHLLOKOSA-N 1 0 348.487 2.715 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCCN4CCCC[C@@H]34)cc2)CC1 ZINC000877619455 1291293247 /nfs/dbraw/zinc/29/32/47/1291293247.db2.gz ZJULXFZKUWQJFB-SFTDATJTSA-N 1 0 343.515 2.754 20 10 EFCDRO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877621902 1291295599 /nfs/dbraw/zinc/29/55/99/1291295599.db2.gz BSBMNXBQDCYXNT-QGZVFWFLSA-N 1 0 331.504 2.610 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)c1O ZINC000877646003 1291305429 /nfs/dbraw/zinc/30/54/29/1291305429.db2.gz ZPQWGWZBLBQDDF-QGZVFWFLSA-N 1 0 328.412 2.977 20 10 EFCDRO COC(=O)[C@@]1(C)C[N@H+](Cc2cc(Cl)cc(OC)c2O)C[C@@H]1C ZINC000877666339 1291321246 /nfs/dbraw/zinc/32/12/46/1291321246.db2.gz HBYVAWSBYSYTDF-QFYYESIMSA-N 1 0 327.808 2.685 20 10 EFCDRO COc1ccc(N2CC[NH+](CCC3CCOCC3)CC2)c(OC)c1 ZINC000877708140 1291338035 /nfs/dbraw/zinc/33/80/35/1291338035.db2.gz BIHWKFKBRSOKTN-UHFFFAOYSA-N 1 0 334.460 2.643 20 10 EFCDRO C[C@H](C[NH2+]Cc1cc(F)ccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000877728192 1291344674 /nfs/dbraw/zinc/34/46/74/1291344674.db2.gz BWOZAASCHFUFCA-GFCCVEGCSA-N 1 0 337.416 2.828 20 10 EFCDRO O=C1NCCC12CC[NH+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000877783167 1291375556 /nfs/dbraw/zinc/37/55/56/1291375556.db2.gz HPSNFVZSEHHHHX-UHFFFAOYSA-N 1 0 327.472 2.779 20 10 EFCDRO CC(C)[N@H+](CC(=O)Nc1ccccn1)Cc1ccc(N(C)C)cc1 ZINC000877977855 1291435259 /nfs/dbraw/zinc/43/52/59/1291435259.db2.gz WVLQBNVXWJBPDW-UHFFFAOYSA-N 1 0 326.444 2.997 20 10 EFCDRO Cc1cc(Br)cc(C[N@H+](C)CCC2OCCO2)c1O ZINC001233110002 1312856343 /nfs/dbraw/zinc/85/63/43/1312856343.db2.gz NRCGZMYTZVRHLU-UHFFFAOYSA-N 1 0 330.222 2.658 20 10 EFCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC001233110302 1312856716 /nfs/dbraw/zinc/85/67/16/1312856716.db2.gz KVJVLEXCYHFIJX-LLVKDONJSA-N 1 0 342.233 2.848 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@@H](CO)C(C)(C)C)c1O ZINC000775199823 1291480962 /nfs/dbraw/zinc/48/09/62/1291480962.db2.gz KKOUUTYLQSXNHL-LBPRGKRZSA-N 1 0 332.238 2.660 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](C)C(C)(F)F)cc1C ZINC001166880452 1312858945 /nfs/dbraw/zinc/85/89/45/1312858945.db2.gz YXYYZSDHMKMUCV-CYBMUJFWSA-N 1 0 328.403 2.891 20 10 EFCDRO CCC[NH+]1CCN(Cc2cc(Br)c(OC)cc2O)CC1 ZINC001233140383 1312864794 /nfs/dbraw/zinc/86/47/94/1312864794.db2.gz HNDSYRAXIPUYQA-UHFFFAOYSA-N 1 0 343.265 2.691 20 10 EFCDRO CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C1C[NH+](CC(C)C)C1 ZINC000957442521 1291570887 /nfs/dbraw/zinc/57/08/87/1291570887.db2.gz DQZSAWCCAFZQOT-UHFFFAOYSA-N 1 0 331.420 2.651 20 10 EFCDRO CC[N@@H+]1CCN(Cc2cc(Br)c(OC)cc2O)C[C@H]1C ZINC001233142970 1312865811 /nfs/dbraw/zinc/86/58/11/1312865811.db2.gz TVLFEYBAKPTWPU-LLVKDONJSA-N 1 0 343.265 2.689 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCS(=O)(=O)C(C)(C)C)c1 ZINC000878359985 1291645128 /nfs/dbraw/zinc/64/51/28/1291645128.db2.gz GTVZXVKRENXHMY-GFCCVEGCSA-N 1 0 329.462 2.655 20 10 EFCDRO CCCc1noc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000775253395 1291726260 /nfs/dbraw/zinc/72/62/60/1291726260.db2.gz CBKISSBMBHQOLR-AWEZNQCLSA-N 1 0 330.432 2.710 20 10 EFCDRO Cc1cc(C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1N(C)C ZINC000878870268 1291836379 /nfs/dbraw/zinc/83/63/79/1291836379.db2.gz XNNLBCLROAFUSF-RBUKOAKNSA-N 1 0 332.488 2.861 20 10 EFCDRO CCOCC[NH+]1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000127426361 1291880679 /nfs/dbraw/zinc/88/06/79/1291880679.db2.gz YLGIFBJQCWACSK-UHFFFAOYSA-N 1 0 331.504 2.831 20 10 EFCDRO COc1ccc(N2CCN(Cc3cnc4ccccn34)CC2)c(C)c1 ZINC001203159821 1312888997 /nfs/dbraw/zinc/88/89/97/1312888997.db2.gz SCCVHHGQRRKNJX-UHFFFAOYSA-N 1 0 336.439 2.974 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[C@H]([NH+](C)C)C2)c2ccccc2n1C ZINC001233272425 1312889825 /nfs/dbraw/zinc/88/98/25/1312889825.db2.gz KZDNMFKNVXPTLZ-HNNXBMFYSA-N 1 0 343.471 2.881 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c2ccccc2n1C ZINC001233270593 1312890013 /nfs/dbraw/zinc/89/00/13/1312890013.db2.gz SPKTTWKKNXULJI-NVXWUHKLSA-N 1 0 348.418 2.650 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@H](COC)C2)c2ccccc2n1C ZINC001233270684 1312890121 /nfs/dbraw/zinc/89/01/21/1312890121.db2.gz WMDCLXJUEIYAMQ-AWEZNQCLSA-N 1 0 330.428 2.823 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2C[C@@H](CO)CC[C@@H]2C)c2ccccc2n1C ZINC001233270404 1312890188 /nfs/dbraw/zinc/89/01/88/1312890188.db2.gz MOUZPESULBVATD-GJZGRUSLSA-N 1 0 344.455 2.948 20 10 EFCDRO CCOC(=O)c1c(CN2CCC([NH+](C)C)CC2)c2ccccc2n1C ZINC001233270270 1312890246 /nfs/dbraw/zinc/89/02/46/1312890246.db2.gz HKYQYJQPJAJOBM-UHFFFAOYSA-N 1 0 343.471 2.881 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2C[C@H](O)CC[C@H]2C)c2ccccc2n1C ZINC001233270385 1312890256 /nfs/dbraw/zinc/89/02/56/1312890256.db2.gz LWCNUCATCKHVDE-ZIAGYGMSSA-N 1 0 330.428 2.700 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[C@@H]([NH+](C)C)C2)c2ccccc2n1C ZINC001233272426 1312891210 /nfs/dbraw/zinc/89/12/10/1312891210.db2.gz KZDNMFKNVXPTLZ-OAHLLOKOSA-N 1 0 343.471 2.881 20 10 EFCDRO CCOC(=O)c1c(CN(C)Cc2cncnc2)c2ccccc2n1C ZINC001233273535 1312891280 /nfs/dbraw/zinc/89/12/80/1312891280.db2.gz HMCUWFBFIRIDKZ-UHFFFAOYSA-N 1 0 338.411 2.777 20 10 EFCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCN(c3cccnn3)CC2)c1 ZINC001233286112 1312895037 /nfs/dbraw/zinc/89/50/37/1312895037.db2.gz GCVOQISIGAGJDA-UHFFFAOYSA-N 1 0 326.444 2.802 20 10 EFCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2Cc3ccnn3CC[C@@H]2CO)c1 ZINC001233286970 1312895542 /nfs/dbraw/zinc/89/55/42/1312895542.db2.gz QRICLPFAMVDWNE-QGZVFWFLSA-N 1 0 329.444 2.653 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c1O ZINC001233290614 1312896790 /nfs/dbraw/zinc/89/67/90/1312896790.db2.gz NJSURVJRSVHDJI-INIZCTEOSA-N 1 0 325.792 2.726 20 10 EFCDRO CCCNC(=O)[C@H]1CCCCN1Cc1cc(Cl)cc(OC)c1O ZINC001233289967 1312896868 /nfs/dbraw/zinc/89/68/68/1312896868.db2.gz ZSETZFPRAHKJGM-CQSZACIVSA-N 1 0 340.851 2.935 20 10 EFCDRO CCOC(=O)NC1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC001233291264 1312897534 /nfs/dbraw/zinc/89/75/34/1312897534.db2.gz STHQXDUIKFOXFS-UHFFFAOYSA-N 1 0 342.823 2.765 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCCCc2ccccc2)c1 ZINC000775370800 1292082078 /nfs/dbraw/zinc/08/20/78/1292082078.db2.gz RWTPRBJUEGGJOI-HNNXBMFYSA-N 1 0 342.439 2.800 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)NCCc2ccccc2)c1 ZINC000775372508 1292102959 /nfs/dbraw/zinc/10/29/59/1292102959.db2.gz CRCZPVPGVBWCOK-LSDHHAIUSA-N 1 0 342.439 2.799 20 10 EFCDRO CC[NH+](CC)CCCN1CCN(Cc2c(O)ccc(F)c2F)CC1 ZINC001233335443 1312906185 /nfs/dbraw/zinc/90/61/85/1312906185.db2.gz VNPRWKMJMWGEQV-UHFFFAOYSA-N 1 0 341.446 2.520 20 10 EFCDRO CC(C)=CCN1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000957849459 1292297280 /nfs/dbraw/zinc/29/72/80/1292297280.db2.gz GCFUOIHBZCOEAJ-UHFFFAOYSA-N 1 0 329.404 2.573 20 10 EFCDRO CC[C@@H]([NH2+]CC(=O)NCCc1ccccc1OC)c1ccccc1O ZINC000775414559 1292336854 /nfs/dbraw/zinc/33/68/54/1292336854.db2.gz IACMXHFBRCQASF-QGZVFWFLSA-N 1 0 342.439 2.800 20 10 EFCDRO C[C@H]([NH2+]CCc1cnccn1)c1ccc(N2CCOCC2)cc1Cl ZINC000775419019 1292353414 /nfs/dbraw/zinc/35/34/14/1292353414.db2.gz TWRVIGPCTNPBRN-AWEZNQCLSA-N 1 0 346.862 2.860 20 10 EFCDRO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C(F)(F)F)cc1O ZINC001233453139 1312934915 /nfs/dbraw/zinc/93/49/15/1312934915.db2.gz WTJUNILDBDZGFB-INIZCTEOSA-N 1 0 342.361 2.998 20 10 EFCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC001233455030 1312935153 /nfs/dbraw/zinc/93/51/53/1312935153.db2.gz SRBORUQMMNQQGB-UHFFFAOYSA-N 1 0 331.334 2.792 20 10 EFCDRO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455297 1312935872 /nfs/dbraw/zinc/93/58/72/1312935872.db2.gz FDCLPBNPSWQHNT-CYBMUJFWSA-N 1 0 345.365 2.647 20 10 EFCDRO CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000128557466 1292586813 /nfs/dbraw/zinc/58/68/13/1292586813.db2.gz YTUHNLZLRHNYNB-INIZCTEOSA-N 1 0 347.503 2.648 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](Sc3ccncc3)C2)cc1O ZINC001233486027 1312940159 /nfs/dbraw/zinc/94/01/59/1312940159.db2.gz VDJGWVHIVPLWEX-CQSZACIVSA-N 1 0 332.425 2.955 20 10 EFCDRO O=C(NCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C1CC1 ZINC000796254711 1292625366 /nfs/dbraw/zinc/62/53/66/1292625366.db2.gz DDBHURCYOALYHS-UHFFFAOYSA-N 1 0 349.478 2.865 20 10 EFCDRO CC(C)c1noc([C@H]2CCC[N@H+](Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233486392 1312940212 /nfs/dbraw/zinc/94/02/12/1312940212.db2.gz LOVONCUBRDSEKP-NSHDSACASA-N 1 0 333.388 2.689 20 10 EFCDRO CCN(Cc1cc(O)c(O)cc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233485995 1312940257 /nfs/dbraw/zinc/94/02/57/1312940257.db2.gz TVXFDGYENQRCTP-KRWDZBQOSA-N 1 0 342.439 2.900 20 10 EFCDRO Cc1cccc(C)c1N1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233487187 1312940302 /nfs/dbraw/zinc/94/03/02/1312940302.db2.gz TXNNCJBPTROARO-UHFFFAOYSA-N 1 0 328.412 2.742 20 10 EFCDRO Oc1cc(O)c(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1O ZINC001233487194 1312940508 /nfs/dbraw/zinc/94/05/08/1312940508.db2.gz UEDABFAPYJOJRH-WBVHZDCISA-N 1 0 340.423 2.510 20 10 EFCDRO Oc1cc(O)c(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc1O ZINC001233485607 1312940563 /nfs/dbraw/zinc/94/05/63/1312940563.db2.gz CYOXBNCNAAANRE-DOTOQJQBSA-N 1 0 340.423 2.510 20 10 EFCDRO Cc1cccc(OC2CC[NH+](Cc3cc(O)c(O)cc3O)CC2)n1 ZINC001233487594 1312941418 /nfs/dbraw/zinc/94/14/18/1312941418.db2.gz KGHMZALBWOWPEW-UHFFFAOYSA-N 1 0 330.384 2.550 20 10 EFCDRO Cc1cccnc1OC1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233487407 1312941577 /nfs/dbraw/zinc/94/15/77/1312941577.db2.gz CCASGJCCCQCOIH-UHFFFAOYSA-N 1 0 330.384 2.550 20 10 EFCDRO COc1cc(OC)c(C[N@@H+]2CCc3cccc(O)c3C2)c(OC)c1 ZINC001203517142 1312943715 /nfs/dbraw/zinc/94/37/15/1312943715.db2.gz KBWCLQGDAQGVFW-UHFFFAOYSA-N 1 0 329.396 2.976 20 10 EFCDRO CC[C@@H]([NH2+]Cc1cccc(OCC(=O)NC)c1)c1ccccc1O ZINC000775491257 1292695125 /nfs/dbraw/zinc/69/51/25/1292695125.db2.gz GQDIQHJEVRPUCT-QGZVFWFLSA-N 1 0 328.412 2.758 20 10 EFCDRO CC[NH2+]Cc1cn(CC(=O)c2cc(C)n(-c3ccccc3)c2C)nn1 ZINC000880981944 1292709823 /nfs/dbraw/zinc/70/98/23/1292709823.db2.gz GGNLPNJEADNVNL-UHFFFAOYSA-N 1 0 337.427 2.678 20 10 EFCDRO CC[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cc(Cl)ccc1O ZINC000775497793 1292754207 /nfs/dbraw/zinc/75/42/07/1292754207.db2.gz ULYPUZBFFZBOGL-JSGCOSHPSA-N 1 0 346.880 2.510 20 10 EFCDRO COC(=O)c1ccc(C[N@@H+]2CCc3cccc(O)c3C2)cc1OC ZINC001233534451 1312952194 /nfs/dbraw/zinc/95/21/94/1312952194.db2.gz SCNUSQMNWXWUQB-UHFFFAOYSA-N 1 0 327.380 2.746 20 10 EFCDRO Cc1cc(C(=O)Cn2cc([C@H](C)[NH3+])nn2)c(C)n1-c1cccc(C)c1 ZINC000881228399 1292792244 /nfs/dbraw/zinc/79/22/44/1292792244.db2.gz UUCRYPADCGFKFW-AWEZNQCLSA-N 1 0 337.427 2.897 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001203551666 1312954350 /nfs/dbraw/zinc/95/43/50/1312954350.db2.gz JZYCVGFWMGUBRV-YSIASYRMSA-N 1 0 340.423 2.736 20 10 EFCDRO Oc1ccccc1C[NH+]1CCC2(C[C@H](c3cncnc3)CO2)CC1 ZINC001203551553 1312954415 /nfs/dbraw/zinc/95/44/15/1312954415.db2.gz IAQZUHVJBYCDHN-INIZCTEOSA-N 1 0 325.412 2.721 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCO[C@]2(CCCN(c3cccnc3)C2)C1 ZINC001203551798 1312954710 /nfs/dbraw/zinc/95/47/10/1312954710.db2.gz OONLHSHQJIYFQQ-HXUWFJFHSA-N 1 0 339.439 2.659 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 ZINC001203551797 1312954738 /nfs/dbraw/zinc/95/47/38/1312954738.db2.gz OONLHSHQJIYFQQ-FQEVSTJZSA-N 1 0 339.439 2.659 20 10 EFCDRO O=C(c1cccc(F)c1)N1CC[C@H]2C[N@@H+](Cc3ccccc3O)C[C@H]21 ZINC001203552233 1312954766 /nfs/dbraw/zinc/95/47/66/1312954766.db2.gz FVHWMSMUQHNFMU-MAUKXSAKSA-N 1 0 340.398 2.878 20 10 EFCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001203561529 1312956434 /nfs/dbraw/zinc/95/64/34/1312956434.db2.gz VUWVPHISXCWEQP-IBGZPJMESA-N 1 0 326.440 2.725 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001203562948 1312957063 /nfs/dbraw/zinc/95/70/63/1312957063.db2.gz QHXNVJIORGLWOS-LBPRGKRZSA-N 1 0 339.317 2.854 20 10 EFCDRO COC1CCN(c2ccc(Cn3cc([C@@H]([NH3+])C(C)C)nn3)cc2)CC1 ZINC000881379860 1292865461 /nfs/dbraw/zinc/86/54/61/1292865461.db2.gz AWPYNCXTVFXHSH-IBGZPJMESA-N 1 0 343.475 2.597 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)c1O ZINC001203593867 1312965852 /nfs/dbraw/zinc/96/58/52/1312965852.db2.gz QXLACPUVWPPSPV-FQEVSTJZSA-N 1 0 338.407 2.521 20 10 EFCDRO COc1cccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001203584390 1312963218 /nfs/dbraw/zinc/96/32/18/1312963218.db2.gz AHKSSSSQYUNKFK-QKDCVEJESA-N 1 0 348.443 2.603 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)c1O ZINC001203590049 1312965200 /nfs/dbraw/zinc/96/52/00/1312965200.db2.gz SFACZAOPFUWOHS-UHFFFAOYSA-N 1 0 348.443 2.844 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2cccc(OC)c2O)Cc2cnn(CC)c21 ZINC001203592163 1312965283 /nfs/dbraw/zinc/96/52/83/1312965283.db2.gz QJXUAMNBCZKBGA-MRXNPFEDSA-N 1 0 345.443 2.753 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2cccc(OC)c2O)Cc2cnn(CC)c21 ZINC001203592159 1312965398 /nfs/dbraw/zinc/96/53/98/1312965398.db2.gz QJXUAMNBCZKBGA-INIZCTEOSA-N 1 0 345.443 2.753 20 10 EFCDRO CCOC(=O)N1CCC([N@H+](C)Cc2cccc(OCC)c2O)CC1 ZINC001203614307 1312971215 /nfs/dbraw/zinc/97/12/15/1312971215.db2.gz VWLHRYYNFVFMOW-UHFFFAOYSA-N 1 0 336.432 2.844 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2cccc(OCC)c2O)Cc2c1cnn2C ZINC001203603628 1312967838 /nfs/dbraw/zinc/96/78/38/1312967838.db2.gz UPTKTAFLQITNGJ-OAHLLOKOSA-N 1 0 345.443 2.660 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)c1O ZINC001203602395 1312968104 /nfs/dbraw/zinc/96/81/04/1312968104.db2.gz UEBWOMMTQFKABY-XHDPSFHLSA-N 1 0 333.350 2.926 20 10 EFCDRO CCOc1cccc(C[NH+]2CC3(CN(C(=O)OC(C)(C)C)C3)C2)c1O ZINC001203603072 1312968178 /nfs/dbraw/zinc/96/81/78/1312968178.db2.gz IOLSJPIQLHKNKE-UHFFFAOYSA-N 1 0 348.443 2.844 20 10 EFCDRO CCOc1cccc(C[NH+]2CCN(c3ncccc3C)CC2)c1O ZINC001203602221 1312968258 /nfs/dbraw/zinc/96/82/58/1312968258.db2.gz JRHVYNZHSPEAKS-UHFFFAOYSA-N 1 0 327.428 2.817 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)c1O ZINC001203601971 1312968392 /nfs/dbraw/zinc/96/83/92/1312968392.db2.gz UMSKALXTCRTDQW-INIZCTEOSA-N 1 0 338.407 2.631 20 10 EFCDRO CCOc1cccc(C[NH+]2CCN(CCc3ccncc3)CC2)c1O ZINC001203609429 1312970254 /nfs/dbraw/zinc/97/02/54/1312970254.db2.gz SSEDCIWDISXXRG-UHFFFAOYSA-N 1 0 341.455 2.546 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2cccc(OCC)c2O)Cc2cnn(C)c21 ZINC001203608697 1312970457 /nfs/dbraw/zinc/97/04/57/1312970457.db2.gz ZQVHKCXCJFLLME-MRXNPFEDSA-N 1 0 345.443 2.660 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(F)=C3CCCC3)cc2)CC1 ZINC000881850944 1293028501 /nfs/dbraw/zinc/02/85/01/1293028501.db2.gz LLORGWHOPMSTTR-UHFFFAOYSA-N 1 0 331.435 2.852 20 10 EFCDRO C[C@H]1CCC[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881851598 1293029105 /nfs/dbraw/zinc/02/91/05/1293029105.db2.gz XJGDEDSGDOGMND-FUHWJXTLSA-N 1 0 329.488 2.881 20 10 EFCDRO C[C@H]1CC/C(=C\C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881850750 1293029320 /nfs/dbraw/zinc/02/93/20/1293029320.db2.gz FJXCZMDQVUXWBS-KXGFGANYSA-N 1 0 327.472 2.801 20 10 EFCDRO CCCc1[nH]ccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853386 1293030050 /nfs/dbraw/zinc/03/00/50/1293030050.db2.gz UNMQAYYEGDOWME-UHFFFAOYSA-N 1 0 340.471 2.649 20 10 EFCDRO C[C@H]1CC=C(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000881853364 1293030613 /nfs/dbraw/zinc/03/06/13/1293030613.db2.gz TVHSNAOSVSRRMC-INIZCTEOSA-N 1 0 327.472 2.801 20 10 EFCDRO CC[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853256 1293030689 /nfs/dbraw/zinc/03/06/89/1293030689.db2.gz ORQHFLMGOYWMHZ-MJGOQNOKSA-N 1 0 329.488 2.881 20 10 EFCDRO CCCC[C@@](C)(F)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881854523 1293030712 /nfs/dbraw/zinc/03/07/12/1293030712.db2.gz FKUOSCUQEDOOTC-LJQANCHMSA-N 1 0 335.467 2.973 20 10 EFCDRO C[C@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852881 1293031032 /nfs/dbraw/zinc/03/10/32/1293031032.db2.gz DWCAZXXGLZRDHP-QFBILLFUSA-N 1 0 329.488 2.881 20 10 EFCDRO CCOc1cccc(CN2CCC([N@H+](CC)[C@@H]3CCOC3)CC2)c1O ZINC001203613917 1312971413 /nfs/dbraw/zinc/97/14/13/1312971413.db2.gz JXOYSJRCQMKEPD-GOSISDBHSA-N 1 0 348.487 2.866 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3C=CCCC3)cc2)CC1 ZINC000881853623 1293031503 /nfs/dbraw/zinc/03/15/03/1293031503.db2.gz CPEQEHPJQRXKNB-KRWDZBQOSA-N 1 0 327.472 2.801 20 10 EFCDRO Cc1coc(C)c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853769 1293031621 /nfs/dbraw/zinc/03/16/21/1293031621.db2.gz KCNGBBZEAGZSSK-UHFFFAOYSA-N 1 0 327.428 2.578 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@H](Oc3ncc(C)cn3)C2)c1O ZINC001203617371 1312972190 /nfs/dbraw/zinc/97/21/90/1312972190.db2.gz OZLWENPWUREGKG-HNNXBMFYSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1ccc(C[N@@H+]2CCc3ncnc(OC(C)C)c3CC2)c(O)c1 ZINC001203622147 1312972974 /nfs/dbraw/zinc/97/29/74/1312972974.db2.gz QTEFHLPAHCSHNU-UHFFFAOYSA-N 1 0 343.427 2.579 20 10 EFCDRO COc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1 ZINC001203620999 1312973091 /nfs/dbraw/zinc/97/30/91/1312973091.db2.gz MWBSZJPRTKUNGL-PHZGNYQRSA-N 1 0 348.443 2.603 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@H]3O[C@H](c4nc(C)no4)CC[C@H]32)c(O)c1 ZINC001203622807 1312973804 /nfs/dbraw/zinc/97/38/04/1312973804.db2.gz BXKSUFJWUOWMOY-OIISXLGYSA-N 1 0 345.399 2.587 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2ccc(OC)cc2O)Cc2cnn(CC)c21 ZINC001203623219 1312974126 /nfs/dbraw/zinc/97/41/26/1312974126.db2.gz MSOBOEOQSALPSK-INIZCTEOSA-N 1 0 345.443 2.753 20 10 EFCDRO COC[C@@H]1COCCC12CC[NH+](Cc1ccc(OC)cc1O)CC2 ZINC001203628571 1312975649 /nfs/dbraw/zinc/97/56/49/1312975649.db2.gz BSIHJMSWGAULGV-MRXNPFEDSA-N 1 0 335.444 2.666 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001203629977 1312975716 /nfs/dbraw/zinc/97/57/16/1312975716.db2.gz PMDBLWBOKBUKRZ-PKOBYXMFSA-N 1 0 333.428 2.561 20 10 EFCDRO COc1ccc(C[NH+]2CC(C)(CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203634772 1312977122 /nfs/dbraw/zinc/97/71/22/1312977122.db2.gz USRVRFDWVCYSPA-UHFFFAOYSA-N 1 0 336.432 2.747 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccc3OC)C2)c(O)c1 ZINC001203634961 1312977135 /nfs/dbraw/zinc/97/71/35/1312977135.db2.gz CTEWMEMOIDVJPM-INIZCTEOSA-N 1 0 344.411 2.848 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)c(O)c1 ZINC001203635184 1312977256 /nfs/dbraw/zinc/97/72/56/1312977256.db2.gz NQWRYHRUNVUKPZ-INIZCTEOSA-N 1 0 338.407 2.631 20 10 EFCDRO COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203634469 1312977458 /nfs/dbraw/zinc/97/74/58/1312977458.db2.gz HNKWXMVQCBWXIU-DOMZBBRYSA-N 1 0 336.432 2.746 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@@H](Oc3nccnc3C)C2)c(O)c1 ZINC001203634937 1312977710 /nfs/dbraw/zinc/97/77/10/1312977710.db2.gz BTWUEOGOJWKWFY-MRXNPFEDSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1ccc(C[NH+]2CCC3(CC(=O)N(C(C)C)C3)CC2)c(O)c1 ZINC001203635366 1312977736 /nfs/dbraw/zinc/97/77/36/1312977736.db2.gz REYPOEXEOAKBEM-UHFFFAOYSA-N 1 0 332.444 2.624 20 10 EFCDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cc(Br)ccc2O)C1 ZINC001203645402 1312979740 /nfs/dbraw/zinc/97/97/40/1312979740.db2.gz GUBAAXGKAPUVIZ-PWSUYJOCSA-N 1 0 342.233 2.786 20 10 EFCDRO O=c1[nH]ccc2c1CC[N@@H+](Cc1cc(Br)ccc1O)C2 ZINC001203650218 1312980278 /nfs/dbraw/zinc/98/02/78/1312980278.db2.gz NUOBHEGTIIFNKN-UHFFFAOYSA-N 1 0 335.201 2.814 20 10 EFCDRO COc1cc(C(=O)N(C2CCCC2)C2CC[NH+](C)CC2)cc(O)c1O ZINC001193098055 1293166720 /nfs/dbraw/zinc/16/67/20/1293166720.db2.gz PLJGQGBTIQGCFA-UHFFFAOYSA-N 1 0 348.443 2.585 20 10 EFCDRO Oc1c(C[NH+]2CCC3(CC2)OCCO3)cccc1OC(F)(F)F ZINC001233736834 1312981593 /nfs/dbraw/zinc/98/15/93/1312981593.db2.gz RQPCITVLYVWHEN-UHFFFAOYSA-N 1 0 333.306 2.630 20 10 EFCDRO COC(=O)N1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233736079 1312981745 /nfs/dbraw/zinc/98/17/45/1312981745.db2.gz CDYVKCDYMJDYIV-UHFFFAOYSA-N 1 0 348.321 2.565 20 10 EFCDRO Cc1noc(C[C@H]2C[C@H]3C[N@H+](Cc4cc(Cl)ccc4O)C[C@H]3O2)n1 ZINC001203658730 1312982252 /nfs/dbraw/zinc/98/22/52/1312982252.db2.gz MZAPVHFXLWRSDI-JGGQBBKZSA-N 1 0 349.818 2.569 20 10 EFCDRO CN(C)c1ccc(-c2nc(C(=O)N[C@H]3CCC[N@H+](C)C3)cs2)cc1 ZINC001193175232 1293181122 /nfs/dbraw/zinc/18/11/22/1293181122.db2.gz AHXSNUSWKMAFEH-AWEZNQCLSA-N 1 0 344.484 2.700 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(O)(Cc3ccccc3)CC2)c1 ZINC001203665470 1312983990 /nfs/dbraw/zinc/98/39/90/1312983990.db2.gz LKYHBWMKJILZQK-UHFFFAOYSA-N 1 0 327.424 2.970 20 10 EFCDRO O=C(NC1CC[NH+](Cc2cc(Cl)ccc2O)CC1)c1ccncc1 ZINC001203664744 1312984117 /nfs/dbraw/zinc/98/41/17/1312984117.db2.gz UBWORYBHKTYPSX-UHFFFAOYSA-N 1 0 345.830 2.835 20 10 EFCDRO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(O)c(O)c2Cl)[C@@H](C)C1 ZINC001193255308 1293216149 /nfs/dbraw/zinc/21/61/49/1293216149.db2.gz UIESCQMHGSSWEZ-JQWIXIFHSA-N 1 0 326.824 2.600 20 10 EFCDRO C[NH+](C)CC1CCC(NC(=O)c2ccc(O)c(O)c2Cl)CC1 ZINC001193254882 1293216685 /nfs/dbraw/zinc/21/66/85/1293216685.db2.gz MXODBEUUDVLBQV-UHFFFAOYSA-N 1 0 326.824 2.601 20 10 EFCDRO COC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(OC)ccc1O)CC2 ZINC001203669947 1312985324 /nfs/dbraw/zinc/98/53/24/1312985324.db2.gz IRKIIIXCXYHNIO-UHFFFAOYSA-N 1 0 348.443 2.845 20 10 EFCDRO CC[NH+](CC)C1CCN(C(=O)c2ccc(O)c(O)c2Cl)CC1 ZINC001193225134 1293222918 /nfs/dbraw/zinc/22/29/18/1293222918.db2.gz ILLKGBRFWFOORN-UHFFFAOYSA-N 1 0 326.824 2.698 20 10 EFCDRO O=C(c1ccc(O)c(O)c1Cl)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001193225940 1293223065 /nfs/dbraw/zinc/22/30/65/1293223065.db2.gz SUDUCMYDYYJYNK-GFCCVEGCSA-N 1 0 338.835 2.842 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)c1 ZINC001203670710 1312985804 /nfs/dbraw/zinc/98/58/04/1312985804.db2.gz XMDMXNWQUQAWNN-XHDPSFHLSA-N 1 0 333.350 2.926 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](Oc3cc(C)ncn3)C2)c1 ZINC001203680607 1312988901 /nfs/dbraw/zinc/98/89/01/1312988901.db2.gz ABSUJRQBMIRMMI-MRXNPFEDSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC3(CC(=O)N(CC4CC4)C3)CC2)c1 ZINC001203681405 1312988946 /nfs/dbraw/zinc/98/89/46/1312988946.db2.gz WLARLKIYGVUNFU-UHFFFAOYSA-N 1 0 344.455 2.625 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](Oc3ncc(C)cn3)C2)c1 ZINC001203684156 1312989801 /nfs/dbraw/zinc/98/98/01/1312989801.db2.gz NSMFAGTZQXFKTN-INIZCTEOSA-N 1 0 329.400 2.543 20 10 EFCDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233776166 1312989819 /nfs/dbraw/zinc/98/98/19/1312989819.db2.gz LUWDHSCEEWEKAF-GFCCVEGCSA-N 1 0 346.349 2.781 20 10 EFCDRO Cc1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000882880096 1293365218 /nfs/dbraw/zinc/36/52/18/1293365218.db2.gz BLJKSKIQYIQXNK-UHFFFAOYSA-N 1 0 341.415 2.662 20 10 EFCDRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000130570268 1293402347 /nfs/dbraw/zinc/40/23/47/1293402347.db2.gz RMONKLLORIHQPI-MAUKXSAKSA-N 1 0 330.428 2.718 20 10 EFCDRO CCC[N@H+](CC(=O)NC(=O)Nc1ccccc1)Cc1ccccc1O ZINC000130734828 1293427786 /nfs/dbraw/zinc/42/77/86/1293427786.db2.gz AFINHOPMNXBAIQ-UHFFFAOYSA-N 1 0 341.411 2.953 20 10 EFCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2c(n1)OCCO2 ZINC001233895308 1313012826 /nfs/dbraw/zinc/01/28/26/1313012826.db2.gz VIFMXXYSOMXNET-UHFFFAOYSA-N 1 0 327.428 2.941 20 10 EFCDRO CC[C@@H](F)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194367829 1293599149 /nfs/dbraw/zinc/59/91/49/1293599149.db2.gz NCPZLAWATZVSQI-HIFRSBDPSA-N 1 0 349.410 2.743 20 10 EFCDRO Cc1cnc(Cl)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000884010701 1293874260 /nfs/dbraw/zinc/87/42/60/1293874260.db2.gz JMJAZOQLGFZASU-OAHLLOKOSA-N 1 0 332.835 2.539 20 10 EFCDRO Cc1cccc(NCC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000133523181 1293912286 /nfs/dbraw/zinc/91/22/86/1293912286.db2.gz BWFLWHYCCUHPQR-UHFFFAOYSA-N 1 0 344.434 2.567 20 10 EFCDRO CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1ccc(O)c(O)c1 ZINC001203878779 1313040120 /nfs/dbraw/zinc/04/01/20/1313040120.db2.gz BPEIDYCYUFYNHT-OAHLLOKOSA-N 1 0 339.432 2.668 20 10 EFCDRO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(O)c(O)c2)O1 ZINC001203877823 1313038891 /nfs/dbraw/zinc/03/88/91/1313038891.db2.gz WUSMSOQTYNULBK-GPMSIDNRSA-N 1 0 335.444 2.892 20 10 EFCDRO Oc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)cc1O ZINC001203876665 1313039353 /nfs/dbraw/zinc/03/93/53/1313039353.db2.gz HBMCRYNVINRPNV-LSDHHAIUSA-N 1 0 345.468 2.651 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(O)c(O)c1 ZINC001203878148 1313039597 /nfs/dbraw/zinc/03/95/97/1313039597.db2.gz CFMWWJPOUIJUDJ-UHFFFAOYSA-N 1 0 328.412 2.566 20 10 EFCDRO Cc1ccc(C[NH+]2C[C@@H]3CN(Cc4ccc(O)c(O)c4)C[C@H]3C2)cc1 ZINC001203878464 1313039701 /nfs/dbraw/zinc/03/97/01/1313039701.db2.gz UTIOASLMUGGZCZ-RTBURBONSA-N 1 0 338.451 2.970 20 10 EFCDRO CCOC[C@@H]1COCCC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203878607 1313040024 /nfs/dbraw/zinc/04/00/24/1313040024.db2.gz HYARGCLAPGXYMI-MRXNPFEDSA-N 1 0 335.444 2.753 20 10 EFCDRO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1ccc(O)c(O)c1)C2 ZINC001203879088 1313040245 /nfs/dbraw/zinc/04/02/45/1313040245.db2.gz FEEXAMOPSPSGNW-CQSZACIVSA-N 1 0 329.396 2.887 20 10 EFCDRO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203882535 1313040453 /nfs/dbraw/zinc/04/04/53/1313040453.db2.gz KPRZWDIHGHBWHS-UHFFFAOYSA-N 1 0 348.443 2.931 20 10 EFCDRO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203882620 1313040720 /nfs/dbraw/zinc/04/07/20/1313040720.db2.gz NZLYVHLMUFQYBB-AWEZNQCLSA-N 1 0 336.432 2.977 20 10 EFCDRO COc1ccc(N2CCCN(C(=O)C(C)(C)[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000884198560 1294043126 /nfs/dbraw/zinc/04/31/26/1294043126.db2.gz ZYLLRRTYMOHSNC-SFHVURJKSA-N 1 0 347.503 2.743 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)cc1 ZINC001203933508 1313050700 /nfs/dbraw/zinc/05/07/00/1313050700.db2.gz NXYPBFPUDOUJDN-FUHWJXTLSA-N 1 0 339.439 2.692 20 10 EFCDRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccc(N(C)C)cc3)O2)n1 ZINC001203931078 1313049421 /nfs/dbraw/zinc/04/94/21/1313049421.db2.gz AZPBUIIACCHEBA-KURKYZTESA-N 1 0 342.443 2.939 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)cc1 ZINC001203933038 1313050522 /nfs/dbraw/zinc/05/05/22/1313050522.db2.gz GNJXZGKIXDOEIH-PXNSSMCTSA-N 1 0 335.451 2.847 20 10 EFCDRO COc1ccnc(O[C@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203937170 1313051454 /nfs/dbraw/zinc/05/14/54/1313051454.db2.gz QUIOBZBTVGJSLX-KRWDZBQOSA-N 1 0 342.443 2.595 20 10 EFCDRO COc1cccc(O[C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203937419 1313051596 /nfs/dbraw/zinc/05/15/96/1313051596.db2.gz QEULIRBNYQXJJV-QGZVFWFLSA-N 1 0 327.428 2.810 20 10 EFCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)cc1 ZINC001203936661 1313051700 /nfs/dbraw/zinc/05/17/00/1313051700.db2.gz IYSWFAPKULONLT-WBVHZDCISA-N 1 0 331.460 2.804 20 10 EFCDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)c1 ZINC001203936863 1313051953 /nfs/dbraw/zinc/05/19/53/1313051953.db2.gz PXMZZPWWWYEFIO-GOSISDBHSA-N 1 0 327.428 2.810 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCN(c3ccncn3)CC2)cc1 ZINC001203942849 1313052391 /nfs/dbraw/zinc/05/23/91/1313052391.db2.gz VEVZYGLUPKWGKH-UHFFFAOYSA-N 1 0 325.460 2.645 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN3CCOC[C@H]3c3ccco3)cc2)CC1 ZINC000775696236 1294163392 /nfs/dbraw/zinc/16/33/92/1294163392.db2.gz ZDZNTNLAMZNLEV-IBGZPJMESA-N 1 0 341.455 2.605 20 10 EFCDRO CC[N@H+](CCNC(=O)NCc1ccc2c(c1)CCCN2C)C(C)C ZINC000102563785 1294323027 /nfs/dbraw/zinc/32/30/27/1294323027.db2.gz LJHJMSWQYRJJML-UHFFFAOYSA-N 1 0 332.492 2.599 20 10 EFCDRO O=C(C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)NCC1CC1 ZINC000796342478 1294517229 /nfs/dbraw/zinc/51/72/29/1294517229.db2.gz QZAXJHGWYYQSHC-UHFFFAOYSA-N 1 0 349.478 2.865 20 10 EFCDRO CCOC(=O)c1c(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C)c2ccccc2n1C ZINC001276440890 1313081313 /nfs/dbraw/zinc/08/13/13/1313081313.db2.gz DPNIWZMGPPAPIV-ROUUACIJSA-N 1 0 341.455 2.633 20 10 EFCDRO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000886110169 1294708251 /nfs/dbraw/zinc/70/82/51/1294708251.db2.gz ZVRAOBTUXFXESD-CQSZACIVSA-N 1 0 342.399 2.677 20 10 EFCDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000104146720 1294815678 /nfs/dbraw/zinc/81/56/78/1294815678.db2.gz KDNFNKRNPKIQEO-GOSISDBHSA-N 1 0 347.528 2.730 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCN([C@@H]3CCOC3)CC2)c2ccccc21 ZINC001204233959 1313105385 /nfs/dbraw/zinc/10/53/85/1313105385.db2.gz VEIVGIJKKAPGKY-GOSISDBHSA-N 1 0 339.483 2.812 20 10 EFCDRO CCC(=O)N1CC[NH+](Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204234367 1313105517 /nfs/dbraw/zinc/10/55/17/1313105517.db2.gz ZLQWUIMWOJHPKO-UHFFFAOYSA-N 1 0 325.456 2.960 20 10 EFCDRO CC(=O)N1CC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@@H]1C ZINC001204240366 1313106526 /nfs/dbraw/zinc/10/65/26/1313106526.db2.gz QFXFRZDNUGJUEN-HNNXBMFYSA-N 1 0 325.456 2.958 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CCCO1 ZINC001204240181 1313106691 /nfs/dbraw/zinc/10/66/91/1313106691.db2.gz KLLGULHWLCWQAS-IBGZPJMESA-N 1 0 342.439 2.670 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c2ccccc21 ZINC001204240501 1313106866 /nfs/dbraw/zinc/10/68/66/1313106866.db2.gz VPOPTWDZYUCQNA-FQEVSTJZSA-N 1 0 339.439 2.980 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000775829916 1294921706 /nfs/dbraw/zinc/92/17/06/1294921706.db2.gz AUIPWPKHNHPQSV-RHSMWYFYSA-N 1 0 332.419 2.982 20 10 EFCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000304129515 1294939933 /nfs/dbraw/zinc/93/99/33/1294939933.db2.gz VQQYBDKUCFDKPG-FQEVSTJZSA-N 1 0 344.430 2.660 20 10 EFCDRO CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2Cc1ccc(O)cc1O ZINC001204276527 1313114068 /nfs/dbraw/zinc/11/40/68/1313114068.db2.gz LVHRBTWXHQUSFZ-UHFFFAOYSA-N 1 0 334.416 2.587 20 10 EFCDRO O=C(C1CC[NH+](Cc2ccc(O)cc2O)CC1)N1CCCCCC1 ZINC001204275596 1313114171 /nfs/dbraw/zinc/11/41/71/1313114171.db2.gz WTXLKIUMKOBSTE-UHFFFAOYSA-N 1 0 332.444 2.712 20 10 EFCDRO Oc1ccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)c(O)c1 ZINC001204275717 1313114232 /nfs/dbraw/zinc/11/42/32/1313114232.db2.gz YLLFDJWLZMTOLX-UHFFFAOYSA-N 1 0 325.368 2.561 20 10 EFCDRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O)cc1O ZINC001204275866 1313114358 /nfs/dbraw/zinc/11/43/58/1313114358.db2.gz CZYHRJIFHKNGEO-OKILXGFUSA-N 1 0 334.416 2.682 20 10 EFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2O)C1)c1cccc(F)c1 ZINC001204278104 1313115109 /nfs/dbraw/zinc/11/51/09/1313115109.db2.gz TUOKEPSACZMSSX-MRXNPFEDSA-N 1 0 344.386 2.631 20 10 EFCDRO O=C1Nc2ncccc2C2(CC[NH+](Cc3ccc(O)cc3O)CC2)O1 ZINC001204279176 1313115506 /nfs/dbraw/zinc/11/55/06/1313115506.db2.gz SFYLYUWIYOINRV-UHFFFAOYSA-N 1 0 341.367 2.546 20 10 EFCDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000104381326 1294984616 /nfs/dbraw/zinc/98/46/16/1294984616.db2.gz MSUISYFQQVSSHD-LJQANCHMSA-N 1 0 345.487 2.655 20 10 EFCDRO O=C1OCCN1C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204322207 1313122480 /nfs/dbraw/zinc/12/24/80/1313122480.db2.gz PLTFNPJFGAYTRI-UHFFFAOYSA-N 1 0 329.444 2.703 20 10 EFCDRO Cc1cnc(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)nc1 ZINC001204329053 1313123215 /nfs/dbraw/zinc/12/32/15/1313123215.db2.gz DJKMPOUJPCDIRH-UHFFFAOYSA-N 1 0 337.471 2.707 20 10 EFCDRO CN(C)C(=O)NC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204329253 1313123937 /nfs/dbraw/zinc/12/39/37/1313123937.db2.gz IURQYLHPQILFGP-UHFFFAOYSA-N 1 0 330.476 2.522 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCCC3(COC3)C2)c1O ZINC001204338279 1313125033 /nfs/dbraw/zinc/12/50/33/1313125033.db2.gz PHTVSHZXRSTSGK-UHFFFAOYSA-N 1 0 342.233 2.776 20 10 EFCDRO COc1cc(Br)cc(C[NH+]2CC([C@@H](C)OC)C2)c1O ZINC001204341971 1313125537 /nfs/dbraw/zinc/12/55/37/1313125537.db2.gz MLXQAGUKHOLETR-SECBINFHSA-N 1 0 330.222 2.630 20 10 EFCDRO COc1ccc(CC[N@H+](C)Cc2cc(O)c(O)c(OC)c2)cc1OC ZINC001204341497 1313125852 /nfs/dbraw/zinc/12/58/52/1313125852.db2.gz DSMBFRKPZLHCMX-UHFFFAOYSA-N 1 0 347.411 2.798 20 10 EFCDRO COc1cc(CN2CCCC[C@@H]2CC[NH+]2CCCC2)cc(O)c1O ZINC001204342010 1313126356 /nfs/dbraw/zinc/12/63/56/1313126356.db2.gz IOYGBXLJRZTSME-MRXNPFEDSA-N 1 0 334.460 2.947 20 10 EFCDRO COc1cc(CN2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc(O)c1O ZINC001204344035 1313126362 /nfs/dbraw/zinc/12/63/62/1313126362.db2.gz CTSWUKVIGGNCIW-HNNXBMFYSA-N 1 0 342.439 2.985 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c1O ZINC001204342085 1313126438 /nfs/dbraw/zinc/12/64/38/1313126438.db2.gz OVQXWHBYZOHOMZ-GAJTVXKRSA-N 1 0 342.233 2.630 20 10 EFCDRO C[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)c1ccc(Br)cc1O ZINC000886670400 1295099909 /nfs/dbraw/zinc/09/99/09/1295099909.db2.gz OCNYWKBPOCIAFA-WCFLWFBJSA-N 1 0 344.249 2.735 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@H](c3nc(C(C)C)no3)C2)cc(O)c1O ZINC001204346801 1313127315 /nfs/dbraw/zinc/12/73/15/1313127315.db2.gz ZKYKIWZFGDQUDR-ZDUSSCGKSA-N 1 0 347.415 2.992 20 10 EFCDRO COc1cc(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)cc(O)c1O ZINC001204350277 1313127379 /nfs/dbraw/zinc/12/73/79/1313127379.db2.gz FNAUWMMMPYUIMR-LSDHHAIUSA-N 1 0 338.423 2.505 20 10 EFCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2cc(O)c(O)c(OC)c2)C[C@@H]1C ZINC001204350503 1313127412 /nfs/dbraw/zinc/12/74/12/1313127412.db2.gz IHNSEDIFPCBCRB-GXTWGEPZSA-N 1 0 337.416 2.518 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@@H]1C[C@@H]1C ZINC000886751543 1295135689 /nfs/dbraw/zinc/13/56/89/1295135689.db2.gz TZTQRSJCBAIMIA-KYNGSXCRSA-N 1 0 329.488 2.913 20 10 EFCDRO COCC[N@@H+](Cc1cc(Cl)c(C)cc1O)C[C@@H](O)C(F)(F)F ZINC000826534055 1295270689 /nfs/dbraw/zinc/27/06/89/1295270689.db2.gz CLKBVORMNVRPRI-CYBMUJFWSA-N 1 0 341.757 2.726 20 10 EFCDRO COc1ccc2ccc(O)c(C[NH+]3CCC4(C[C@H](O)CO4)CC3)c2c1 ZINC001234526038 1313145864 /nfs/dbraw/zinc/14/58/64/1313145864.db2.gz PFXJBCZMVVEJRH-HNNXBMFYSA-N 1 0 343.423 2.670 20 10 EFCDRO CN(C)c1ccc(CNC(=O)[C@H]2CC23CC[NH+](C2CC2)CC3)cc1 ZINC001274023122 1295420485 /nfs/dbraw/zinc/42/04/85/1295420485.db2.gz RJXWLPXCYAGJIA-GOSISDBHSA-N 1 0 327.472 2.633 20 10 EFCDRO Oc1ccc(F)c(F)c1CN1CC2(C1)CC[N@H+](Cc1ccc[nH]1)C2 ZINC001276469473 1313152046 /nfs/dbraw/zinc/15/20/46/1313152046.db2.gz CVHXECHDHMGYMY-UHFFFAOYSA-N 1 0 333.382 2.706 20 10 EFCDRO COC[C@]12COC[C@H]1C[N@H+](Cc1c(O)ccc3ccc(OC)cc31)C2 ZINC001234544969 1313152189 /nfs/dbraw/zinc/15/21/89/1313152189.db2.gz NYMLSIJMZRTRFT-FOIQADDNSA-N 1 0 343.423 2.649 20 10 EFCDRO CC(C)[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)Cc1ccc(N(C)C)cc1 ZINC000775942167 1295451110 /nfs/dbraw/zinc/45/11/10/1295451110.db2.gz PODRCCPAFFYSHS-BGYRXZFFSA-N 1 0 331.504 2.826 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@]23CCN(CC(F)F)C3=O)c1O ZINC001274100030 1295452517 /nfs/dbraw/zinc/45/25/17/1295452517.db2.gz STKAXNYKKUJMOR-QGZVFWFLSA-N 1 0 342.361 2.672 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCN(C(C)=O)[C@@H](C)C3)c2c1 ZINC001234570392 1313160133 /nfs/dbraw/zinc/16/01/33/1313160133.db2.gz ZFTJARBSJIIRPJ-ZDUSSCGKSA-N 1 0 328.412 2.607 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(O)ccc3ccc(OC)cc32)CC12CC2 ZINC001234577177 1313161675 /nfs/dbraw/zinc/16/16/75/1313161675.db2.gz AYYLZDOQQUDRAJ-KRWDZBQOSA-N 1 0 341.407 2.939 20 10 EFCDRO CS[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H]1[NH+](C)C ZINC000776001393 1295648333 /nfs/dbraw/zinc/64/83/33/1295648333.db2.gz PBJAPUOREJLUTG-CABCVRRESA-N 1 0 342.892 2.726 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)nc1 ZINC000776007839 1295673817 /nfs/dbraw/zinc/67/38/17/1295673817.db2.gz MCFUFGPHYMDDBO-HNNXBMFYSA-N 1 0 327.428 2.778 20 10 EFCDRO CC[NH+]1CCN(c2ccc(O[C@H]3CCC[C@H]3C(=O)OC)cc2)CC1 ZINC001234657101 1313178966 /nfs/dbraw/zinc/17/89/66/1313178966.db2.gz BAPAEPROWJXCAM-MSOLQXFVSA-N 1 0 332.444 2.549 20 10 EFCDRO CCOC(=O)C1CC(Oc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC001234657914 1313179280 /nfs/dbraw/zinc/17/92/80/1313179280.db2.gz MFYRZIVHWPQAOQ-UHFFFAOYSA-N 1 0 332.444 2.549 20 10 EFCDRO CCOC(=O)CC1CC(Oc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC001234658160 1313179424 /nfs/dbraw/zinc/17/94/24/1313179424.db2.gz WBJNOSDRCKDJDR-UHFFFAOYSA-N 1 0 346.471 2.939 20 10 EFCDRO CC[NH+]1CCN(c2ccc(O[C@@H]3CCCC4(C3)OCCO4)cc2)CC1 ZINC001234661022 1313179926 /nfs/dbraw/zinc/17/99/26/1313179926.db2.gz OMXHZSBUSZPKOT-LJQANCHMSA-N 1 0 346.471 2.893 20 10 EFCDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C(C)(C)C1 ZINC000889658721 1295790300 /nfs/dbraw/zinc/79/03/00/1295790300.db2.gz LOCBAHVISALUKA-INIZCTEOSA-N 1 0 344.503 2.768 20 10 EFCDRO FC(F)Oc1ccc2c(c1)CCCN2CCCN1CCOCC1 ZINC000097727562 1295819499 /nfs/dbraw/zinc/81/94/99/1295819499.db2.gz HCAXXXOBHKBMJX-UHFFFAOYSA-N 1 0 326.387 2.763 20 10 EFCDRO CC(C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000305109717 1295912740 /nfs/dbraw/zinc/91/27/40/1295912740.db2.gz FIVBDOWVXLZJND-GUYCJALGSA-N 1 0 326.868 2.844 20 10 EFCDRO CC[N@H+](CC(=O)NC(C)C)Cc1cc(Br)ccc1O ZINC000097989744 1296038367 /nfs/dbraw/zinc/03/83/67/1296038367.db2.gz UZSXNHSQUHXKAP-UHFFFAOYSA-N 1 0 329.238 2.501 20 10 EFCDRO CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(C)cccc1O)C2 ZINC001274301502 1296055446 /nfs/dbraw/zinc/05/54/46/1296055446.db2.gz QRVKQRLYXPGYLI-UZLBHIALSA-N 1 0 346.471 2.550 20 10 EFCDRO CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1c(C)cccc1O)C2 ZINC001274301499 1296056377 /nfs/dbraw/zinc/05/63/77/1296056377.db2.gz QRVKQRLYXPGYLI-OXJNMPFZSA-N 1 0 346.471 2.550 20 10 EFCDRO NC(=O)NC1CC[NH+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234992934 1313219095 /nfs/dbraw/zinc/21/90/95/1313219095.db2.gz TWNCYNVIXPFURC-UHFFFAOYSA-N 1 0 325.412 2.692 20 10 EFCDRO COC(=O)C[C@@H]1CN(Cc2cccc(-c3ccccc3)c2O)CCO1 ZINC001234996508 1313218587 /nfs/dbraw/zinc/21/85/87/1313218587.db2.gz HZRIOSMFTAZTJI-QGZVFWFLSA-N 1 0 341.407 2.823 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@]23CCN(CC(C)C)C3=O)c(O)c1 ZINC001274660338 1296132351 /nfs/dbraw/zinc/13/23/51/1296132351.db2.gz IZEJIQUASYOOPS-FQEVSTJZSA-N 1 0 346.471 2.932 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)c2cn[nH]c2)cc1C ZINC000959887901 1296195297 /nfs/dbraw/zinc/19/52/97/1296195297.db2.gz IEWIHFZVUXLGMZ-KRWDZBQOSA-N 1 0 342.443 2.511 20 10 EFCDRO COc1ccc(N2CCCC[C@@]23CC(=O)N(CC[NH+](C)C)C3)c(C)c1 ZINC001274873744 1296197802 /nfs/dbraw/zinc/19/78/02/1296197802.db2.gz ASBBAJIQJXMWQO-FQEVSTJZSA-N 1 0 345.487 2.527 20 10 EFCDRO Cc1cc(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)c(O)cc1Br ZINC001235022004 1313225806 /nfs/dbraw/zinc/22/58/06/1313225806.db2.gz VBPOMEAHLYOHDJ-SMDDNHRTSA-N 1 0 325.250 2.647 20 10 EFCDRO CCOC(=O)c1c(CN2[C@@H](C)CC[C@H]2C[NH3+])c2ccccc2n1C ZINC001205082754 1313230244 /nfs/dbraw/zinc/23/02/44/1313230244.db2.gz IZUUACNTMAZVRY-KBPBESRZSA-N 1 0 329.444 2.667 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCC[C@@]2(CN(Cc3ccc[nH]3)CCO2)C1 ZINC001275267427 1296246875 /nfs/dbraw/zinc/24/68/75/1296246875.db2.gz OEEAEWMRXWGYOL-FQEVSTJZSA-N 1 0 341.455 2.587 20 10 EFCDRO CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C(F)(F)F)cc2O)C1=O ZINC001273836654 1296264403 /nfs/dbraw/zinc/26/44/03/1296264403.db2.gz SUTQWHQCHZMEDJ-HNNXBMFYSA-N 1 0 328.334 2.608 20 10 EFCDRO CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C(F)(F)F)cc2O)C1=O ZINC001273836656 1296264713 /nfs/dbraw/zinc/26/47/13/1296264713.db2.gz SUTQWHQCHZMEDJ-OAHLLOKOSA-N 1 0 328.334 2.608 20 10 EFCDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc(Br)cc(F)c3[O-])C[C@H]21 ZINC001235066577 1313234773 /nfs/dbraw/zinc/23/47/73/1313234773.db2.gz KXKRWSIHWCIQDX-IINYFYTJSA-N 1 0 343.240 2.820 20 10 EFCDRO Oc1cc(Cl)c(Cl)cc1CN1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235023641 1313226663 /nfs/dbraw/zinc/22/66/63/1313226663.db2.gz VLFPRPYSTNLKEG-MRXNPFEDSA-N 1 0 345.270 2.901 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[C@@H]([NH3+])CC2)c2ccccc2n1C ZINC001205117152 1313235891 /nfs/dbraw/zinc/23/58/91/1313235891.db2.gz MBKRDCSWMKOPCC-CQSZACIVSA-N 1 0 329.444 2.668 20 10 EFCDRO Cc1cc(O)c(CN2CCC[C@]23CC[NH2+]C3)cc1Br ZINC001235116722 1313245343 /nfs/dbraw/zinc/24/53/43/1313245343.db2.gz YQLUQDWQARTGFF-OAHLLOKOSA-N 1 0 325.250 2.791 20 10 EFCDRO [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 ZINC001205249302 1313259073 /nfs/dbraw/zinc/25/90/73/1313259073.db2.gz VLGOGUBIFWIPNP-HXUWFJFHSA-N 1 0 344.430 2.874 20 10 EFCDRO Cc1cc(CN2CCO[C@H]3CC[NH2+]C[C@@H]32)c(C)n1-c1ccccc1 ZINC001235212552 1313265829 /nfs/dbraw/zinc/26/58/29/1313265829.db2.gz PBRXFQMKDMWLLB-PMACEKPBSA-N 1 0 325.456 2.657 20 10 EFCDRO CN1CCCc2cc(CN3C[C@@H]4C[NH2+]C[C@]4(C(F)(F)F)C3)ccc21 ZINC001235225209 1313268071 /nfs/dbraw/zinc/26/80/71/1313268071.db2.gz RDFTWBUWVAPIHZ-RDJZCZTQSA-N 1 0 339.405 2.653 20 10 EFCDRO C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(F)cc(Br)c3[O-])C[C@@H]2C1 ZINC001235293636 1313283197 /nfs/dbraw/zinc/28/31/97/1313283197.db2.gz KEUDILPALSTKIU-PWSUYJOCSA-N 1 0 343.240 2.677 20 10 EFCDRO C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1cc[nH]c(=O)c1 ZINC000926558324 1296935125 /nfs/dbraw/zinc/93/51/25/1296935125.db2.gz DKVLUHJVTBYNRL-GFCCVEGCSA-N 1 0 349.381 2.753 20 10 EFCDRO COc1cc(O)c(C[NH2+]C[C@H](O)c2c(F)cccc2F)cc1OC ZINC000776208683 1297058802 /nfs/dbraw/zinc/05/88/02/1297058802.db2.gz BZHXGPNSUHYXGS-AWEZNQCLSA-N 1 0 339.338 2.511 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1O ZINC000776219383 1297131464 /nfs/dbraw/zinc/13/14/64/1297131464.db2.gz OLJHMLICCNTEEU-VHSXEESVSA-N 1 0 330.222 2.678 20 10 EFCDRO CCN(CC)c1ccc(CN2CCC(F)(F)[C@H](C[NH3+])C2)c(OC)c1 ZINC001205770772 1313353126 /nfs/dbraw/zinc/35/31/26/1313353126.db2.gz NYVJFOMKTQWAQK-OAHLLOKOSA-N 1 0 341.446 2.957 20 10 EFCDRO [NH3+]C[C@@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)CCC1(F)F ZINC001205777253 1313354191 /nfs/dbraw/zinc/35/41/91/1313354191.db2.gz AWMWKZSKIGKAAD-QGZVFWFLSA-N 1 0 335.442 2.801 20 10 EFCDRO C[C@H](NC(=O)N1CCC(C[NH+](C)C)CC1)c1ccc(N(C)C)cc1 ZINC000776243515 1297221253 /nfs/dbraw/zinc/22/12/53/1297221253.db2.gz CVAQLNRODXMGBU-HNNXBMFYSA-N 1 0 332.492 2.797 20 10 EFCDRO C[C@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000776245042 1297221506 /nfs/dbraw/zinc/22/15/06/1297221506.db2.gz HEDXREGZXQGAFO-JKSUJKDBSA-N 1 0 332.492 2.797 20 10 EFCDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000776244817 1297221955 /nfs/dbraw/zinc/22/19/55/1297221955.db2.gz GCFORSXOKVURTE-DOTOQJQBSA-N 1 0 332.492 2.986 20 10 EFCDRO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000776242762 1297241760 /nfs/dbraw/zinc/24/17/60/1297241760.db2.gz AGHUVXPHGARHJG-YJBOKZPZSA-N 1 0 330.476 2.693 20 10 EFCDRO C[C@H](NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccc(N(C)C)cc1 ZINC000776242606 1297243498 /nfs/dbraw/zinc/24/34/98/1297243498.db2.gz AAYDCSWTYWUNIR-VDZJLULYSA-N 1 0 344.503 2.939 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(F)nc2)[NH+](C)C)cc1 ZINC000930424211 1297264231 /nfs/dbraw/zinc/26/42/31/1297264231.db2.gz LRDYJYADNLRAIO-MRXNPFEDSA-N 1 0 345.422 2.711 20 10 EFCDRO CC(C)(C)c1ccc(C[N@@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)c(O)c1 ZINC001235673895 1313372144 /nfs/dbraw/zinc/37/21/44/1313372144.db2.gz BDMCFQQZYUDMSD-BBRMVZONSA-N 1 0 347.377 2.550 20 10 EFCDRO COC[C@@H]1c2nnn(C)c2CCN1Cc1ccc(C(C)(C)C)cc1O ZINC001235681845 1313372912 /nfs/dbraw/zinc/37/29/12/1313372912.db2.gz LNAVZHKJTCKOSB-MRXNPFEDSA-N 1 0 344.459 2.564 20 10 EFCDRO COCCCN(Cc1ccc2c(c1)CCCN2C)[C@@H]1CCC[NH2+]C1 ZINC001235807254 1313401766 /nfs/dbraw/zinc/40/17/66/1313401766.db2.gz NMZGGIBGODRWKZ-LJQANCHMSA-N 1 0 331.504 2.660 20 10 EFCDRO COCCCN(Cc1ccc2c(c1)CCCN2C)[C@H]1CCC[NH2+]C1 ZINC001235807252 1313401839 /nfs/dbraw/zinc/40/18/39/1313401839.db2.gz NMZGGIBGODRWKZ-IBGZPJMESA-N 1 0 331.504 2.660 20 10 EFCDRO COCCCN(Cc1cc(Cl)cc(C)c1O)[C@H]1CCC[NH2+]C1 ZINC001235810510 1313402691 /nfs/dbraw/zinc/40/26/91/1313402691.db2.gz PMCUSZKFWULHHP-INIZCTEOSA-N 1 0 326.868 2.945 20 10 EFCDRO c1ccc([C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCN2)cc1 ZINC001235852858 1313409824 /nfs/dbraw/zinc/40/98/24/1313409824.db2.gz HDEMYWYLGYUYME-OAQYLSRUSA-N 1 0 337.467 2.670 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@H]([NH3+])CC[C@H]2C)c2ccccc2n1C ZINC001235909172 1313416147 /nfs/dbraw/zinc/41/61/47/1313416147.db2.gz ZVCVVTVKOPPWEZ-ZIAGYGMSSA-N 1 0 329.444 2.667 20 10 EFCDRO C[C@H]([NH2+]CCN1CCC(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000155988693 1297712048 /nfs/dbraw/zinc/71/20/48/1297712048.db2.gz DOYKXEUCIQJBBZ-SFHVURJKSA-N 1 0 331.504 2.906 20 10 EFCDRO CCN(CC)c1ccc(CN(CCOC)C2CC[NH2+]CC2)c(OC)c1 ZINC001235944301 1313421220 /nfs/dbraw/zinc/42/12/20/1313421220.db2.gz MLTTVVKVGMEBRB-UHFFFAOYSA-N 1 0 349.519 2.742 20 10 EFCDRO CCOC(=O)c1c(CN(CC)[C@@H]2CC[NH2+]C2)c2ccccc2n1C ZINC001235969378 1313424866 /nfs/dbraw/zinc/42/48/66/1313424866.db2.gz CEFRJIVREWKLKE-CQSZACIVSA-N 1 0 329.444 2.539 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@@H](C)C[C@H]([NH3+])C2)c2ccccc2n1C ZINC001236050779 1313434327 /nfs/dbraw/zinc/43/43/27/1313434327.db2.gz IYMUQQOKOMDATD-KBPBESRZSA-N 1 0 329.444 2.524 20 10 EFCDRO CCCCN(CCCC)c1ccc(CN2CCOC[C@@H]2C[NH3+])c(O)c1 ZINC001236049179 1313434403 /nfs/dbraw/zinc/43/44/03/1313434403.db2.gz ZXXGNFNECWTVCF-IBGZPJMESA-N 1 0 349.519 2.958 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c2ccccc2n1C ZINC001236093110 1313440327 /nfs/dbraw/zinc/44/03/27/1313440327.db2.gz PGBUTFNGIZRVRY-GASCZTMLSA-N 1 0 341.455 2.681 20 10 EFCDRO COc1cc(N(C)C)ccc1CN1CC[NH2+]C[C@H]1c1cccs1 ZINC001236116704 1313443023 /nfs/dbraw/zinc/44/30/23/1313443023.db2.gz NFXZVXXFMWNXIV-INIZCTEOSA-N 1 0 331.485 2.969 20 10 EFCDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc(OCC(F)(F)F)cc1O ZINC001236132866 1313445458 /nfs/dbraw/zinc/44/54/58/1313445458.db2.gz OYCVOPHKXNMAKJ-CYBMUJFWSA-N 1 0 332.366 2.907 20 10 EFCDRO CCC[C@@H]1C[NH2+]CCN1Cc1c2ccccc2n(C)c1C(=O)OCC ZINC001236132235 1313445479 /nfs/dbraw/zinc/44/54/79/1313445479.db2.gz GBNWQGCFZFARKT-OAHLLOKOSA-N 1 0 343.471 2.929 20 10 EFCDRO Oc1c(CN2CC(O)([C@@H]3CCCC[NH2+]3)C2)cccc1-c1ccccc1 ZINC001236166950 1313450679 /nfs/dbraw/zinc/45/06/79/1313450679.db2.gz VCQKHRSRYKNHSF-IBGZPJMESA-N 1 0 338.451 2.748 20 10 EFCDRO COc1ccc(Br)c(CN(C)[C@]2(C)CCC[NH2+]C2)c1O ZINC001236204506 1313455027 /nfs/dbraw/zinc/45/50/27/1313455027.db2.gz AVVBHRVVDLUSTO-OAHLLOKOSA-N 1 0 343.265 2.737 20 10 EFCDRO CN(Cc1ccc(OCC(F)(F)F)cc1O)[C@@]1(C)CCC[NH2+]C1 ZINC001236205592 1313455165 /nfs/dbraw/zinc/45/51/65/1313455165.db2.gz IDGZRERUEBGUBH-HNNXBMFYSA-N 1 0 332.366 2.907 20 10 EFCDRO CN(Cc1ccc(N2CCOCC2)c(Cl)c1)[C@]1(C)CCC[NH2+]C1 ZINC001236207536 1313455838 /nfs/dbraw/zinc/45/58/38/1313455838.db2.gz QYIGJBHMCMRHCG-GOSISDBHSA-N 1 0 337.895 2.751 20 10 EFCDRO COC(=O)c1c(CN(C)[C@]2(C)CCC[NH2+]C2)c2ccccc2n1C ZINC001236208669 1313455885 /nfs/dbraw/zinc/45/58/85/1313455885.db2.gz VRXSPGDTPZYOCB-LJQANCHMSA-N 1 0 329.444 2.539 20 10 EFCDRO COC(=O)c1c(CN(C)[C@H]2CCCC[C@@H]2[NH3+])c2ccccc2n1C ZINC001236213876 1313456883 /nfs/dbraw/zinc/45/68/83/1313456883.db2.gz CCDXWVJUGTWHEM-RDJZCZTQSA-N 1 0 329.444 2.667 20 10 EFCDRO CN(Cc1ccc(N2CCOCC2)c(Cl)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219763 1313457384 /nfs/dbraw/zinc/45/73/84/1313457384.db2.gz XQKBIOQETJRGFT-SJLPKXTDSA-N 1 0 337.895 2.878 20 10 EFCDRO COc1cc(O)c(CN(C)[C@@H]2CCCC[C@@H]2[NH3+])c(Br)c1 ZINC001236218062 1313457560 /nfs/dbraw/zinc/45/75/60/1313457560.db2.gz RHJYNBXHBADNNY-UONOGXRCSA-N 1 0 343.265 2.865 20 10 EFCDRO Oc1ccc(Br)cc1CN(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236236204 1313458890 /nfs/dbraw/zinc/45/88/90/1313458890.db2.gz IHERTIILQKELQN-CQSZACIVSA-N 1 0 325.250 2.871 20 10 EFCDRO Oc1ccc2cc(Br)ccc2c1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236297847 1313466812 /nfs/dbraw/zinc/46/68/12/1313466812.db2.gz TXASWUSUIVLEJI-XHDPSFHLSA-N 1 0 333.229 2.712 20 10 EFCDRO CCCN(Cc1ccc(OCC(F)(F)F)cc1O)[C@H]1CC[NH2+]C1 ZINC001236324890 1313469964 /nfs/dbraw/zinc/46/99/64/1313469964.db2.gz WHNOVWMTGBPDOS-ZDUSSCGKSA-N 1 0 332.366 2.907 20 10 EFCDRO COCCN(Cc1c(O)ccc2ccc(OC)cc21)[C@@H]1CCC[NH2+]C1 ZINC001236329689 1313470715 /nfs/dbraw/zinc/47/07/15/1313470715.db2.gz LQLXYVLLUDAZNJ-MRXNPFEDSA-N 1 0 344.455 2.754 20 10 EFCDRO CCN(CC)c1ccc(CN(CCOC)[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC001236332584 1313471369 /nfs/dbraw/zinc/47/13/69/1313471369.db2.gz UNCUBGUUGOKZQV-LJQANCHMSA-N 1 0 349.519 2.742 20 10 EFCDRO COCCN(Cc1cc2c3c(c1)CCCN3CCC2)[C@H]1CCC[NH2+]C1 ZINC001236333746 1313471673 /nfs/dbraw/zinc/47/16/73/1313471673.db2.gz YALGKQINJLOMSP-FQEVSTJZSA-N 1 0 343.515 2.586 20 10 EFCDRO Oc1ccc(CN(Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)cc1O ZINC001236391929 1313475937 /nfs/dbraw/zinc/47/59/37/1313475937.db2.gz IKDUTRIFFAINCS-QGZVFWFLSA-N 1 0 330.403 2.991 20 10 EFCDRO Nc1cc(Nc2cccc3c2C(=O)c2cccc(N)c2C3=O)cc[nH+]1 ZINC001206567695 1313477674 /nfs/dbraw/zinc/47/76/74/1313477674.db2.gz AYJZHYPQTFXPAP-UHFFFAOYSA-N 1 0 330.347 2.765 20 10 EFCDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000077805335 1298212141 /nfs/dbraw/zinc/21/21/41/1298212141.db2.gz PBNIHKSOJOCXGM-KRWDZBQOSA-N 1 0 344.503 2.960 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[C@H]([NH3+])[C@@H]2C)c2ccccc2n1C ZINC001236419672 1313478412 /nfs/dbraw/zinc/47/84/12/1313478412.db2.gz MEEJXDDSWARGJR-BBRMVZONSA-N 1 0 329.444 2.667 20 10 EFCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206547032 1313473662 /nfs/dbraw/zinc/47/36/62/1313473662.db2.gz ATZJGHQMVJMAKZ-LJQANCHMSA-N 1 0 330.428 2.758 20 10 EFCDRO CCOC(=O)c1c(CN(C2CC2)[C@@H]2CC[NH2+]C2)c2ccccc2n1C ZINC001236527209 1313489021 /nfs/dbraw/zinc/48/90/21/1313489021.db2.gz AJPBMFCJUMWDRX-OAHLLOKOSA-N 1 0 341.455 2.681 20 10 EFCDRO COc1cc(CN([C@@H]2CC[NH2+]C2)C2CCCCC2)c(O)c(OC)c1 ZINC001236662498 1313505234 /nfs/dbraw/zinc/50/52/34/1313505234.db2.gz JWJVENYALLYDOH-MRXNPFEDSA-N 1 0 334.460 2.906 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2CCc3c(cnn3C)C2)c1 ZINC001236669659 1313506579 /nfs/dbraw/zinc/50/65/79/1313506579.db2.gz QCMSMZDWXXUAFR-UHFFFAOYSA-N 1 0 336.233 2.755 20 10 EFCDRO COc1cc(C[N@@H+]2CCCC[C@@H]2CO)c(O)cc1Br ZINC001236744434 1313520101 /nfs/dbraw/zinc/52/01/01/1313520101.db2.gz BWPNSVSDUUQFGR-LLVKDONJSA-N 1 0 330.222 2.510 20 10 EFCDRO COc1cc(C[N@@H+]2C[C@H](O)CC[C@H]2C)c(O)cc1Br ZINC001236744672 1313520182 /nfs/dbraw/zinc/52/01/82/1313520182.db2.gz AQQCBEGHGLWUFP-MWLCHTKSSA-N 1 0 330.222 2.509 20 10 EFCDRO COc1cc(C[N@@H+]2C[C@H](CO)CC[C@@H]2C)c(O)cc1Br ZINC001236747040 1313520659 /nfs/dbraw/zinc/52/06/59/1313520659.db2.gz IEOHXQZVQRHREE-WDEREUQCSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c(O)cc1Br ZINC001236747312 1313520688 /nfs/dbraw/zinc/52/06/88/1313520688.db2.gz JTCVSRRAKWXHML-PWSUYJOCSA-N 1 0 342.233 2.632 20 10 EFCDRO COC[C@@H]1CC[N@H+](Cc2cc(OC)c(Br)cc2O)C1 ZINC001236748189 1313520760 /nfs/dbraw/zinc/52/07/60/1313520760.db2.gz MYAOTGZYIOLJIC-SNVBAGLBSA-N 1 0 330.222 2.632 20 10 EFCDRO COc1cc(C[N@@H+]2C[C@@H](CO)CC[C@@H]2C)c(O)cc1Br ZINC001236747035 1313521000 /nfs/dbraw/zinc/52/10/00/1313521000.db2.gz IEOHXQZVQRHREE-QWRGUYRKSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(C[N@@H+]2C[C@H](CO)CC[C@H]2C)c(O)cc1Br ZINC001236747026 1313521206 /nfs/dbraw/zinc/52/12/06/1313521206.db2.gz IEOHXQZVQRHREE-GHMZBOCLSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@H](O)CC2)c(O)cc1Br ZINC001236745831 1313521242 /nfs/dbraw/zinc/52/12/42/1313521242.db2.gz RQHCLZLWMUTRDX-LLVKDONJSA-N 1 0 330.222 2.510 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@]3(CCOC3)C2)c(O)cc1Br ZINC001236749190 1313521813 /nfs/dbraw/zinc/52/18/13/1313521813.db2.gz ZWUWRDZSSXKYNY-HNNXBMFYSA-N 1 0 342.233 2.776 20 10 EFCDRO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001236748935 1313522034 /nfs/dbraw/zinc/52/20/34/1313522034.db2.gz CIVDQLQMAIUMLQ-ZDUSSCGKSA-N 1 0 337.416 2.575 20 10 EFCDRO CCN(CC(=O)OC(C)(C)C)Cc1cc(OC)c(OC)cc1O ZINC001236752333 1313522134 /nfs/dbraw/zinc/52/21/34/1313522134.db2.gz OJCGOIFRQOBMNF-UHFFFAOYSA-N 1 0 325.405 2.573 20 10 EFCDRO O=C1CCC[C@@H]2C[N@@H+](Cc3cc(O)c(Br)cc3O)C[C@@H]12 ZINC001236763734 1313524832 /nfs/dbraw/zinc/52/48/32/1313524832.db2.gz CCSJGYJBPWSYOI-MWLCHTKSSA-N 1 0 340.217 2.661 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3ncccc3C)C2)cc1OC ZINC001236751291 1313522369 /nfs/dbraw/zinc/52/23/69/1313522369.db2.gz FDTVEVFKQSCUBQ-OAHLLOKOSA-N 1 0 344.411 2.766 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](Oc3ncccc3C)C2)cc1OC ZINC001236751287 1313522541 /nfs/dbraw/zinc/52/25/41/1313522541.db2.gz FDTVEVFKQSCUBQ-HNNXBMFYSA-N 1 0 344.411 2.766 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3cccc(C)n3)C2)cc1OC ZINC001236754852 1313522869 /nfs/dbraw/zinc/52/28/69/1313522869.db2.gz VJBJASLWZNWCSL-OAHLLOKOSA-N 1 0 344.411 2.766 20 10 EFCDRO C[C@]1(CO)CCC[N@H+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001236766477 1313524303 /nfs/dbraw/zinc/52/43/03/1313524303.db2.gz HIEWQYQARAZWRR-HNNXBMFYSA-N 1 0 344.249 2.845 20 10 EFCDRO C[C@H]1C[C@H]2C[N@H+](Cc3cc(O)c(Br)cc3O)CC[C@H]2O1 ZINC001236767884 1313525225 /nfs/dbraw/zinc/52/52/25/1313525225.db2.gz XBIACEKRMRSRNK-CCUNJIBTSA-N 1 0 342.233 2.860 20 10 EFCDRO C[N@H+](CCc1ccccn1)Cc1cc(O)c(Br)cc1O ZINC001236773470 1313525707 /nfs/dbraw/zinc/52/57/07/1313525707.db2.gz QFUAOUMUBWCJLW-UHFFFAOYSA-N 1 0 337.217 2.930 20 10 EFCDRO Oc1cc(CN2CCC[C@]3(CCO3)C2)c(O)cc1Br ZINC001236770928 1313525769 /nfs/dbraw/zinc/52/57/69/1313525769.db2.gz LRCWWAWNQDBDQT-AWEZNQCLSA-N 1 0 328.206 2.615 20 10 EFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236779071 1313527541 /nfs/dbraw/zinc/52/75/41/1313527541.db2.gz OWJDWKQECSVMIH-MRXNPFEDSA-N 1 0 341.407 2.966 20 10 EFCDRO OC[C@]1(F)CC[N@H+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236778664 1313528054 /nfs/dbraw/zinc/52/80/54/1313528054.db2.gz KSUQQJOKTIHKTE-IBGZPJMESA-N 1 0 331.387 2.878 20 10 EFCDRO CCc1ccc(C[N@@H+]2CCN(CCOC)c3ncccc3C2)c(O)c1 ZINC001236786632 1313528711 /nfs/dbraw/zinc/52/87/11/1313528711.db2.gz ICLQQQSPISTYCQ-UHFFFAOYSA-N 1 0 341.455 2.818 20 10 EFCDRO CCc1ccc(C[NH+]2C[C@@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c(O)c1 ZINC001236787621 1313528731 /nfs/dbraw/zinc/52/87/31/1313528731.db2.gz LITXBMPWNWJGMZ-IAGOWNOFSA-N 1 0 340.423 2.752 20 10 EFCDRO CCc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)c(O)c1 ZINC001236787007 1313528749 /nfs/dbraw/zinc/52/87/49/1313528749.db2.gz GRHUCODWCIWDEK-QGZVFWFLSA-N 1 0 331.460 2.724 20 10 EFCDRO CCc1ccc(C[N@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001236786435 1313528801 /nfs/dbraw/zinc/52/88/01/1313528801.db2.gz PAHNUTWXCKZBMJ-BGYRXZFFSA-N 1 0 337.467 2.913 20 10 EFCDRO CCc1ccc(C[N@@H+]2CC[C@@H](Oc3nc(C)cc(OC)n3)C2)c(O)c1 ZINC001236788817 1313529335 /nfs/dbraw/zinc/52/93/35/1313529335.db2.gz QULWKWUFQNUSQV-MRXNPFEDSA-N 1 0 343.427 2.715 20 10 EFCDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(Cl)c(Cl)cc3[O-])C[C@H]21 ZINC001236794641 1313530649 /nfs/dbraw/zinc/53/06/49/1313530649.db2.gz YNDOSFMLNOHVHA-HBYGRHMLSA-N 1 0 343.254 2.901 20 10 EFCDRO COCCC[NH+]1CCN(Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001236795308 1313530705 /nfs/dbraw/zinc/53/07/05/1313530705.db2.gz CYLNXFLFMCQEFP-UHFFFAOYSA-N 1 0 333.259 2.853 20 10 EFCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236802611 1313531845 /nfs/dbraw/zinc/53/18/45/1313531845.db2.gz JORYBFSOZPJFPV-MRXNPFEDSA-N 1 0 327.808 2.829 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](Oc3nccnc3C)C2)c(Cl)c1 ZINC001236806009 1313532855 /nfs/dbraw/zinc/53/28/55/1313532855.db2.gz KWIXMLURAWOJBJ-LBPRGKRZSA-N 1 0 349.818 2.806 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(Oc3cnccn3)CC2)c(Cl)c1 ZINC001236807306 1313533180 /nfs/dbraw/zinc/53/31/80/1313533180.db2.gz FDSBMZUWUMHCOV-UHFFFAOYSA-N 1 0 349.818 2.888 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCN3C(=O)c4ccccc4[C@@H]3C2)c(O)c1 ZINC001236807318 1313533229 /nfs/dbraw/zinc/53/32/29/1313533229.db2.gz FQTSYJCQONFLPN-SFHVURJKSA-N 1 0 338.407 2.722 20 10 EFCDRO COc1cc(O)c(C[N@H+](C(C)C)[C@H]2CCN(C(C)=O)C2)c(Cl)c1 ZINC001236810108 1313533792 /nfs/dbraw/zinc/53/37/92/1313533792.db2.gz ZQJAOMDRZYNPRQ-ZDUSSCGKSA-N 1 0 340.851 2.885 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCC3(CCN(C(C)=O)C3)CC2)c(O)c1 ZINC001236808418 1313533842 /nfs/dbraw/zinc/53/38/42/1313533842.db2.gz PGVPTMDRSOZVQX-UHFFFAOYSA-N 1 0 332.444 2.544 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC3(CCNC(=O)O3)CC2)c(Cl)c1 ZINC001236810079 1313533931 /nfs/dbraw/zinc/53/39/31/1313533931.db2.gz ZDTGKUCTYNTALU-UHFFFAOYSA-N 1 0 340.807 2.519 20 10 EFCDRO CCn1ncc2c1[C@H](COC)C[N@H+](Cc1c(C)cc(OC)cc1O)C2 ZINC001236809277 1313534322 /nfs/dbraw/zinc/53/43/22/1313534322.db2.gz QEPGOUWBEMVCHA-HNNXBMFYSA-N 1 0 345.443 2.671 20 10 EFCDRO COc1ccc(C[N@H+](C)[C@H]2CCC3(C2)OCCO3)c([O-])c1Cl ZINC001236809427 1313534408 /nfs/dbraw/zinc/53/44/08/1313534408.db2.gz MBRYSZYKOWDNCS-LBPRGKRZSA-N 1 0 327.808 2.782 20 10 EFCDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3c(C)cc(OC)cc3O)C2)c1 ZINC001236812678 1313535068 /nfs/dbraw/zinc/53/50/68/1313535068.db2.gz CXILLFJAKRMEFS-OAHLLOKOSA-N 1 0 344.411 2.766 20 10 EFCDRO COC(=O)[C@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)Cc2ccccc21 ZINC001236817242 1313535609 /nfs/dbraw/zinc/53/56/09/1313535609.db2.gz DGAUQUQAUOGVKC-SFHVURJKSA-N 1 0 341.407 2.982 20 10 EFCDRO CCN1CCC2(CC[NH+](Cc3c(C)cc(OC)cc3O)CC2)C1=O ZINC001236819918 1313536316 /nfs/dbraw/zinc/53/63/16/1313536316.db2.gz HSIMSERMOMPZFV-UHFFFAOYSA-N 1 0 332.444 2.544 20 10 EFCDRO Oc1cc2ccccc2cc1CN1CC[NH+](C2CCOCC2)CC1 ZINC001236842893 1313541627 /nfs/dbraw/zinc/54/16/27/1313541627.db2.gz ZTGHNWPHGGTIJB-UHFFFAOYSA-N 1 0 326.440 2.842 20 10 EFCDRO CCC[NH+]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236921352 1313553904 /nfs/dbraw/zinc/55/39/04/1313553904.db2.gz DHZOWKIYYSHECP-UHFFFAOYSA-N 1 0 337.895 2.704 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN1CCC([NH+]2CCC2)CC1 ZINC001236927772 1313554625 /nfs/dbraw/zinc/55/46/25/1313554625.db2.gz WHYQTWMPSWQIIN-UHFFFAOYSA-N 1 0 349.906 2.847 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1C[NH+]1CCC2(COC2)CC1 ZINC001236926272 1313554839 /nfs/dbraw/zinc/55/48/39/1313554839.db2.gz DRBPHAIHASLWIM-UHFFFAOYSA-N 1 0 336.863 2.789 20 10 EFCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC[C@H]1O ZINC001236926286 1313554981 /nfs/dbraw/zinc/55/49/81/1313554981.db2.gz FBHCWWARZUAKPI-KBXCAEBGSA-N 1 0 338.879 2.769 20 10 EFCDRO C[N@@H+]1C[C@@H]2CCCN(Cc3ccc(N4CCOCC4)cc3Cl)[C@@H]2C1 ZINC001236928605 1313555460 /nfs/dbraw/zinc/55/54/60/1313555460.db2.gz XYGLXJRDZMILDC-QFBILLFUSA-N 1 0 349.906 2.703 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)c(F)c2)CC1 ZINC001236929267 1313555729 /nfs/dbraw/zinc/55/57/29/1313555729.db2.gz CWULUNDCOHNOHM-YLJYHZDGSA-N 1 0 347.478 2.578 20 10 EFCDRO CC[N@H+](CCn1ccnc1)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236931245 1313556091 /nfs/dbraw/zinc/55/60/91/1313556091.db2.gz RHFZOMSXGDECDL-UHFFFAOYSA-N 1 0 348.878 2.895 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN3CC(c4cccnc4)C3)c(F)c2)CC1 ZINC001236943629 1313558035 /nfs/dbraw/zinc/55/80/35/1313558035.db2.gz UYHYEYPDBDQFFP-UHFFFAOYSA-N 1 0 340.446 2.572 20 10 EFCDRO COc1cc(Cl)cc(CN2Cc3ccccc3C[C@H]2C[NH3+])c1O ZINC001237027541 1313572780 /nfs/dbraw/zinc/57/27/80/1313572780.db2.gz HCGWFEYYKLYZLW-INIZCTEOSA-N 1 0 332.831 2.940 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3)[C@@H]2CC)c(O)c1 ZINC001237040081 1313573071 /nfs/dbraw/zinc/57/30/71/1313573071.db2.gz DAYSEOJOUFPJFB-HKUYNNGSSA-N 1 0 332.444 2.814 20 10 EFCDRO CCOc1ccc(C[NH+]2CCN(c3cc(C)nc(C)n3)CC2)c(O)c1 ZINC001237041128 1313573481 /nfs/dbraw/zinc/57/34/81/1313573481.db2.gz FRUOYGFJIPBNCA-UHFFFAOYSA-N 1 0 342.443 2.520 20 10 EFCDRO CCOc1ccc(C[N@H+]2Cc3cnn(CC)c3[C@@H](COC)C2)c(O)c1 ZINC001237043942 1313574272 /nfs/dbraw/zinc/57/42/72/1313574272.db2.gz STHSSKAMCFHLTB-MRXNPFEDSA-N 1 0 345.443 2.753 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3nccc(C)n3)C2)c(O)c1 ZINC001237048853 1313576263 /nfs/dbraw/zinc/57/62/63/1313576263.db2.gz XQEURQIHHGSSNL-QGZVFWFLSA-N 1 0 343.427 2.933 20 10 EFCDRO CC(C)c1ccc(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)c(O)c1 ZINC001237048748 1313576281 /nfs/dbraw/zinc/57/62/81/1313576281.db2.gz OUFRFWRKKSNWNX-ROUUACIJSA-N 1 0 338.455 2.874 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC(NC(=O)N(CC)CC)CC2)c(O)c1 ZINC001237048741 1313576290 /nfs/dbraw/zinc/57/62/90/1313576290.db2.gz WHJYLCWMAIWKQI-UHFFFAOYSA-N 1 0 349.475 2.807 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC3(CC(=O)N(CC)C3)CC2)c(O)c1 ZINC001237046434 1313575296 /nfs/dbraw/zinc/57/52/96/1313575296.db2.gz CCITXUKEYULIJB-UHFFFAOYSA-N 1 0 332.444 2.625 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3cnccn3)C2)c(O)c1 ZINC001237046810 1313575372 /nfs/dbraw/zinc/57/53/72/1313575372.db2.gz GGEKWXZBAMCJDQ-MRXNPFEDSA-N 1 0 329.400 2.624 20 10 EFCDRO CCOc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1 ZINC001237047023 1313575518 /nfs/dbraw/zinc/57/55/18/1313575518.db2.gz QOZVLVVFOZGRLY-GDBMZVCRSA-N 1 0 348.443 2.842 20 10 EFCDRO COc1cc(O)c(CN2CC[C@@]23CCOC3)c(Br)c1 ZINC001237068226 1313580828 /nfs/dbraw/zinc/58/08/28/1313580828.db2.gz NTWFEJYPCYZKGD-AWEZNQCLSA-N 1 0 328.206 2.528 20 10 EFCDRO COC[C@@H]1CC[N@H+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001237066026 1313580897 /nfs/dbraw/zinc/58/08/97/1313580897.db2.gz SPNQNPWKLGIQQC-SNVBAGLBSA-N 1 0 330.222 2.632 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCO3)C2)c(Br)c1 ZINC001237072446 1313582289 /nfs/dbraw/zinc/58/22/89/1313582289.db2.gz GVSNGQFMPZBHLQ-OAHLLOKOSA-N 1 0 342.233 2.918 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c(Br)c1 ZINC001237070483 1313582324 /nfs/dbraw/zinc/58/23/24/1313582324.db2.gz NNASMWPWIVKURG-ZUZCIYMTSA-N 1 0 342.233 2.774 20 10 EFCDRO CC[N@@H+]1CCO[C@@H]2CN(Cc3c(O)ccc(Cl)c3Cl)C[C@@H]2C1 ZINC001237079424 1313582805 /nfs/dbraw/zinc/58/28/05/1313582805.db2.gz CYCYTXJLWZAEAC-XHDPSFHLSA-N 1 0 345.270 2.852 20 10 EFCDRO Oc1ccc(Cl)c(Cl)c1CN1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001237083810 1313583541 /nfs/dbraw/zinc/58/35/41/1313583541.db2.gz CNMRYNQLVQDDJR-GFCCVEGCSA-N 1 0 345.270 2.996 20 10 EFCDRO CN1CCC([N@H+](C)Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237051139 1313576895 /nfs/dbraw/zinc/57/68/95/1313576895.db2.gz HSRLYQOFRYVCAN-UHFFFAOYSA-N 1 0 332.366 2.859 20 10 EFCDRO C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC[C@H]1O ZINC001237052877 1313576929 /nfs/dbraw/zinc/57/69/29/1313576929.db2.gz DJBGWYXCLDWMBA-BXUZGUMPSA-N 1 0 333.350 2.926 20 10 EFCDRO CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3O)CC[C@H]21 ZINC001237051053 1313577156 /nfs/dbraw/zinc/57/71/56/1313577156.db2.gz IJLODCJNAMUOSF-UYAOXDASSA-N 1 0 346.471 2.727 20 10 EFCDRO C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC[C@@H]1O ZINC001237052878 1313577179 /nfs/dbraw/zinc/57/71/79/1313577179.db2.gz DJBGWYXCLDWMBA-FZMZJTMJSA-N 1 0 333.350 2.926 20 10 EFCDRO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237051438 1313577200 /nfs/dbraw/zinc/57/72/00/1313577200.db2.gz HQDWLEWDJKZFPJ-NWDGAFQWSA-N 1 0 332.366 2.858 20 10 EFCDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H](F)C2)c(O)c1 ZINC001237051540 1313577349 /nfs/dbraw/zinc/57/73/49/1313577349.db2.gz NDLXWXKPMVMXHV-ZWKOTPCHSA-N 1 0 336.451 2.760 20 10 EFCDRO CN(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237057580 1313578272 /nfs/dbraw/zinc/57/82/72/1313578272.db2.gz UHPICDFLWXHFKV-ZDUSSCGKSA-N 1 0 332.366 2.859 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CCC[C@H]1O ZINC001237053778 1313578284 /nfs/dbraw/zinc/57/82/84/1313578284.db2.gz QHMYEKSRFOBSEP-BXUZGUMPSA-N 1 0 333.350 2.926 20 10 EFCDRO COc1cc(O)c(CN2CCC[C@H]([NH+](C)C)C2)c(Br)c1 ZINC001237059697 1313578439 /nfs/dbraw/zinc/57/84/39/1313578439.db2.gz NKTDZQGEZUDOPF-NSHDSACASA-N 1 0 343.265 2.689 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1CN1CC[NH+]2CCC1CC2 ZINC001237058517 1313578714 /nfs/dbraw/zinc/57/87/14/1313578714.db2.gz IPGGSJFUNQANEW-UHFFFAOYSA-N 1 0 330.350 2.613 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)c(Br)c1 ZINC001237061382 1313579742 /nfs/dbraw/zinc/57/97/42/1313579742.db2.gz FVYBHHUBDRGOQG-HZMBPMFUSA-N 1 0 344.249 2.756 20 10 EFCDRO CCC(=O)NC1CC[NH+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237110604 1313587212 /nfs/dbraw/zinc/58/72/12/1313587212.db2.gz IBKOVPQRIHWRCL-UHFFFAOYSA-N 1 0 346.349 2.781 20 10 EFCDRO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237111823 1313587300 /nfs/dbraw/zinc/58/73/00/1313587300.db2.gz UODBDFZKMVEWCR-LLVKDONJSA-N 1 0 346.349 2.591 20 10 EFCDRO Cc1cc(O)c(CN2CC(F)(F)C[C@H]2C[NH3+])cc1Br ZINC001237114598 1313588347 /nfs/dbraw/zinc/58/83/47/1313588347.db2.gz JMVLPILMFKWAJB-JTQLQIEISA-N 1 0 335.192 2.631 20 10 EFCDRO C[NH+]1CCC2(CN(Cc3c(O)cccc3OC(F)(F)F)C2)CC1 ZINC001237114478 1313588560 /nfs/dbraw/zinc/58/85/60/1313588560.db2.gz LWPBZYPKCRAEEN-UHFFFAOYSA-N 1 0 330.350 2.818 20 10 EFCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237122184 1313590821 /nfs/dbraw/zinc/59/08/21/1313590821.db2.gz FTAUKBGPLSQWDY-SNVBAGLBSA-N 1 0 333.306 2.676 20 10 EFCDRO C[N@@H+]1C[C@@H]2CCCN(Cc3c(O)cccc3OC(F)(F)F)[C@@H]2C1 ZINC001237124057 1313591435 /nfs/dbraw/zinc/59/14/35/1313591435.db2.gz XHOBTEMYXNJINE-WCQYABFASA-N 1 0 330.350 2.817 20 10 EFCDRO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237138404 1313592274 /nfs/dbraw/zinc/59/22/74/1313592274.db2.gz BZZUJJAPDTYSHA-LLVKDONJSA-N 1 0 330.350 2.711 20 10 EFCDRO O=S1(=O)CCN(c2ccc(C[N@@H+]3CCC[C@H]4CCC[C@@H]43)cc2)CC1 ZINC001237213721 1313607188 /nfs/dbraw/zinc/60/71/88/1313607188.db2.gz VSTQTYXSBGIVGJ-MJGOQNOKSA-N 1 0 348.512 2.686 20 10 EFCDRO O=S1(=O)CCN(c2ccc(C[N@@H+]3CCCC4(CCC4)C3)cc2)CC1 ZINC001237214210 1313607832 /nfs/dbraw/zinc/60/78/32/1313607832.db2.gz BZYWJZASNYUGKI-UHFFFAOYSA-N 1 0 348.512 2.688 20 10 EFCDRO CC(C)Oc1cccc(CNC(=O)C[N@H+](C)Cc2ccccc2O)c1 ZINC000109769725 1299337397 /nfs/dbraw/zinc/33/73/97/1299337397.db2.gz MKNFIJIVEOOVCB-UHFFFAOYSA-N 1 0 342.439 2.928 20 10 EFCDRO CC(C)CNC(=O)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000851895369 1299453879 /nfs/dbraw/zinc/45/38/79/1299453879.db2.gz DPHJQFTYWVBAFG-QGZVFWFLSA-N 1 0 347.503 2.726 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)nc2)c1 ZINC000851899755 1299455800 /nfs/dbraw/zinc/45/58/00/1299455800.db2.gz FKTLVKZNCZDXME-SNVBAGLBSA-N 1 0 335.791 2.739 20 10 EFCDRO COCC1([NH2+]Cc2ccc(N3CCC(OC)CC3)cc2)CCOCC1 ZINC000852091433 1299543966 /nfs/dbraw/zinc/54/39/66/1299543966.db2.gz XHLRDHMASLOJTI-UHFFFAOYSA-N 1 0 348.487 2.587 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237416069 1313641726 /nfs/dbraw/zinc/64/17/26/1313641726.db2.gz RKIUFWRLHKNMFV-YPMHNXCESA-N 1 0 330.350 2.865 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)Cc3ccco3)C2)cc1C ZINC000962441562 1299693670 /nfs/dbraw/zinc/69/36/70/1299693670.db2.gz HZJDTTOSJAEMOJ-UHFFFAOYSA-N 1 0 342.439 2.824 20 10 EFCDRO Clc1cc(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)ccc1N1CCOCC1 ZINC001237410720 1313640147 /nfs/dbraw/zinc/64/01/47/1313640147.db2.gz CYBKXYWAZKCOEU-AEFFLSMTSA-N 1 0 349.906 2.751 20 10 EFCDRO Clc1cc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)ccc1N1CCOCC1 ZINC001237410725 1313640422 /nfs/dbraw/zinc/64/04/22/1313640422.db2.gz CYBKXYWAZKCOEU-SJLPKXTDSA-N 1 0 349.906 2.751 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000852465230 1299713148 /nfs/dbraw/zinc/71/31/48/1299713148.db2.gz CRHJJDAZZNARSC-MRXNPFEDSA-N 1 0 332.492 2.767 20 10 EFCDRO COC(=O)c1c(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c2ccccc2n1C ZINC001237418127 1313641312 /nfs/dbraw/zinc/64/13/12/1313641312.db2.gz VXJLRTFBAWQORS-PBHICJAKSA-N 1 0 341.455 2.539 20 10 EFCDRO CC(C)C[C@H](C[NH3+])CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000852794801 1299889917 /nfs/dbraw/zinc/88/99/17/1299889917.db2.gz BXXMEJCPQHRDMG-SJORKVTESA-N 1 0 347.503 2.712 20 10 EFCDRO COc1ccc(N2CCCN(C(=O)C[C@@H](C[NH3+])CC(C)C)CC2)cc1 ZINC000852792951 1299890246 /nfs/dbraw/zinc/89/02/46/1299890246.db2.gz JPXOAGNFVZFTQZ-KRWDZBQOSA-N 1 0 347.503 2.745 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001237487355 1313654741 /nfs/dbraw/zinc/65/47/41/1313654741.db2.gz YNHTYYLQMWPSLR-FQEVSTJZSA-N 1 0 337.423 2.725 20 10 EFCDRO COc1ccc(N(C)CCN(C)C(=O)C[C@@H](C[NH3+])CC(C)C)cc1 ZINC000852836093 1299908145 /nfs/dbraw/zinc/90/81/45/1299908145.db2.gz WUGMTZPGHQQPEV-INIZCTEOSA-N 1 0 335.492 2.601 20 10 EFCDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000852855463 1299915641 /nfs/dbraw/zinc/91/56/41/1299915641.db2.gz ZPMPWJXNEVGIES-FQEVSTJZSA-N 1 0 337.467 2.587 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)CCCC(C)=O)C2)cc1C ZINC001207319212 1313658263 /nfs/dbraw/zinc/65/82/63/1313658263.db2.gz FNOOVMZOEOKPMR-SFHVURJKSA-N 1 0 346.471 2.844 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNc3ccc(C)nn3)cc2F)CC1 ZINC000853293873 1300078586 /nfs/dbraw/zinc/07/85/86/1300078586.db2.gz VJJNXJYXSPOAOB-UHFFFAOYSA-N 1 0 329.423 2.678 20 10 EFCDRO CCOc1ccc(N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)nn1 ZINC000853612938 1300193703 /nfs/dbraw/zinc/19/37/03/1300193703.db2.gz GTADDWPNMPPBPY-UHFFFAOYSA-N 1 0 342.443 2.520 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)CCOC(C)C)C2)cc1C ZINC001207452752 1313686811 /nfs/dbraw/zinc/68/68/11/1313686811.db2.gz XGDSDGICYWTWKA-SFHVURJKSA-N 1 0 348.487 2.899 20 10 EFCDRO C[C@@H]1C(=O)N(C)CCN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237645776 1313683319 /nfs/dbraw/zinc/68/33/19/1313683319.db2.gz LAAOKNKHZTVKNJ-CYBMUJFWSA-N 1 0 328.387 2.861 20 10 EFCDRO C[NH+](C)C[C@H]1COCCN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237645241 1313683463 /nfs/dbraw/zinc/68/34/63/1313683463.db2.gz IAVIDSYWIVNSMW-IBGZPJMESA-N 1 0 344.430 2.961 20 10 EFCDRO Oc1ccc(-c2ccc(F)cc2)cc1C[NH+]1CC(N2CCOCC2)C1 ZINC001237645636 1313683638 /nfs/dbraw/zinc/68/36/38/1313683638.db2.gz ILTDCXVAZLXYPN-UHFFFAOYSA-N 1 0 342.414 2.715 20 10 EFCDRO CNC(=O)N1CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 ZINC001237650073 1313684654 /nfs/dbraw/zinc/68/46/54/1313684654.db2.gz PHARTZUMVYRUGM-UHFFFAOYSA-N 1 0 343.402 2.655 20 10 EFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)c(C)cc2O)C1 ZINC001237675853 1313689438 /nfs/dbraw/zinc/68/94/38/1313689438.db2.gz CCXJPNWEJWTCRF-NSHDSACASA-N 1 0 342.233 2.848 20 10 EFCDRO CCC[NH+]1CCN(Cc2cc(Br)c(C)cc2O)CC1 ZINC001237678611 1313689849 /nfs/dbraw/zinc/68/98/49/1313689849.db2.gz JYRBPSZJUVNPTE-UHFFFAOYSA-N 1 0 327.266 2.991 20 10 EFCDRO Cc1cc(O)c(CN2CC[NH+](C(C)C)CC2)cc1Br ZINC001237678189 1313690014 /nfs/dbraw/zinc/69/00/14/1313690014.db2.gz WBTQBCWBRKUYNU-UHFFFAOYSA-N 1 0 327.266 2.989 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1Br ZINC001237679187 1313690169 /nfs/dbraw/zinc/69/01/69/1313690169.db2.gz GCAULFSNARPQAM-YPMHNXCESA-N 1 0 326.234 2.931 20 10 EFCDRO COC(=O)C1CC[NH+](Cc2cc(Br)c(C)cc2O)CC1 ZINC001237680322 1313690348 /nfs/dbraw/zinc/69/03/48/1313690348.db2.gz IPGPPNSMOUZBFP-UHFFFAOYSA-N 1 0 342.233 2.848 20 10 EFCDRO Cc1cc(O)c(CN2CC[NH+]3CCC2CC3)cc1Br ZINC001237683201 1313690887 /nfs/dbraw/zinc/69/08/87/1313690887.db2.gz XDNLZICQGBAWPH-UHFFFAOYSA-N 1 0 325.250 2.743 20 10 EFCDRO Cc1cc(O)c(CN2CCC[C@@H]3C[N@@H+](C)C[C@H]32)cc1Br ZINC001237682950 1313691155 /nfs/dbraw/zinc/69/11/55/1313691155.db2.gz VKQIXUMDFAILTQ-IUODEOHRSA-N 1 0 339.277 2.989 20 10 EFCDRO COc1cc(C[N@H+](C)Cc2cccc3c2OCO3)c(O)c(OC)c1 ZINC001237684204 1313691373 /nfs/dbraw/zinc/69/13/73/1313691373.db2.gz OKXLIXUELWWATH-UHFFFAOYSA-N 1 0 331.368 2.770 20 10 EFCDRO Cc1cc(O)c(CN2C[C@H]3CCC[N@@H+](C)[C@H]3C2)cc1Br ZINC001237684500 1313691864 /nfs/dbraw/zinc/69/18/64/1313691864.db2.gz LREYUKHPVBIGST-DOMZBBRYSA-N 1 0 339.277 2.989 20 10 EFCDRO Cc1cc(O)c(CN2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)cc1Br ZINC001237684501 1313691986 /nfs/dbraw/zinc/69/19/86/1313691986.db2.gz LREYUKHPVBIGST-IUODEOHRSA-N 1 0 339.277 2.989 20 10 EFCDRO CCO[C@@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207473904 1313694144 /nfs/dbraw/zinc/69/41/44/1313694144.db2.gz XQOSIJGAKAOMNP-RDJZCZTQSA-N 1 0 334.460 2.509 20 10 EFCDRO CCS[C@H]1CCCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000112088450 1300501569 /nfs/dbraw/zinc/50/15/69/1300501569.db2.gz VCPWHYVGKJAAFY-SFHVURJKSA-N 1 0 349.544 2.976 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)COCC3CC3)C2)cc1C ZINC001207508015 1313702870 /nfs/dbraw/zinc/70/28/70/1313702870.db2.gz XNJDJNOWCWOMDX-SFHVURJKSA-N 1 0 346.471 2.511 20 10 EFCDRO C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(F)cc(Cl)c1[O-] ZINC001237798709 1313708220 /nfs/dbraw/zinc/70/82/20/1313708220.db2.gz LWQIAPGFWKTUPI-UHFFFAOYSA-N 1 0 345.890 2.890 20 10 EFCDRO CCn1ccnc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(F)c1[O-] ZINC001276538641 1313707747 /nfs/dbraw/zinc/70/77/47/1313707747.db2.gz ZAYCWEJAEZREBZ-IRXDYDNUSA-N 1 0 344.434 2.597 20 10 EFCDRO Cc1cc(C)c2c(c1)C[N@@H+](Cc1cc3c(cc1O)OC[C@@H]3O)CC2 ZINC000776774750 1300766391 /nfs/dbraw/zinc/76/63/91/1300766391.db2.gz NFPZRSYCZXLLIL-IBGZPJMESA-N 1 0 325.408 2.993 20 10 EFCDRO COc1ccc(C[NH2+]C2CC3(CC(NC(=O)C(F)F)C3)C2)cc1C ZINC000963454975 1300889937 /nfs/dbraw/zinc/88/99/37/1300889937.db2.gz DIRCGTOJZIDNDQ-UHFFFAOYSA-N 1 0 338.398 2.786 20 10 EFCDRO COc1ccc(C[NH2+]C2CC3(CC(NC(=O)C4CC4)C3)C2)cc1C ZINC000963467121 1300909786 /nfs/dbraw/zinc/90/97/86/1300909786.db2.gz NHDUHZXLLOXQSX-UHFFFAOYSA-N 1 0 328.456 2.931 20 10 EFCDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000776806857 1300914196 /nfs/dbraw/zinc/91/41/96/1300914196.db2.gz GGSLGMXMIUAKPN-WMLDXEAASA-N 1 0 332.444 2.968 20 10 EFCDRO CCOC(=O)COc1cccc(C[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001237915482 1313730873 /nfs/dbraw/zinc/73/08/73/1313730873.db2.gz JPQHSFSKLRYGKK-UHFFFAOYSA-N 1 0 341.407 2.892 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C[C@H](C)OC)C2)cc1C ZINC001207652262 1313741744 /nfs/dbraw/zinc/74/17/44/1313741744.db2.gz ZDBIFYKVKXNBPV-DOTOQJQBSA-N 1 0 334.460 2.509 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000855809537 1301126250 /nfs/dbraw/zinc/12/62/50/1301126250.db2.gz HGFHYWIGPOTMNZ-LOWQCSRCSA-N 1 0 330.428 2.634 20 10 EFCDRO CCOCCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207667337 1313745242 /nfs/dbraw/zinc/74/52/42/1313745242.db2.gz FPARLWVQOCYGKC-KRWDZBQOSA-N 1 0 334.460 2.511 20 10 EFCDRO Oc1cccc(Br)c1C[NH2+]CCCNc1ncccn1 ZINC001329389058 1330701409 /nfs/dbraw/zinc/70/14/09/1330701409.db2.gz IYFIXNLCSWXALW-UHFFFAOYSA-N 1 0 337.221 2.537 20 10 EFCDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000776869666 1301204561 /nfs/dbraw/zinc/20/45/61/1301204561.db2.gz XPEJSOUYKFNXIO-LXGCGDOSSA-N 1 0 349.471 2.742 20 10 EFCDRO Cc1cc(F)cc(C[NH+]2CCN(c3ccc(Cl)nn3)CC2)c1O ZINC001238065777 1313754174 /nfs/dbraw/zinc/75/41/74/1313754174.db2.gz ATANTTHOOSHGEY-UHFFFAOYSA-N 1 0 336.798 2.605 20 10 EFCDRO Cc1cc(F)cc(C[NH+]2CCC(NC(=O)c3ccncc3)CC2)c1O ZINC001238069385 1313754990 /nfs/dbraw/zinc/75/49/90/1313754990.db2.gz YZQNRIPTGAQZSV-UHFFFAOYSA-N 1 0 343.402 2.629 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001238066670 1313755158 /nfs/dbraw/zinc/75/51/58/1313755158.db2.gz IQIGIDSNFVAGBW-DZGCQCFKSA-N 1 0 336.407 2.891 20 10 EFCDRO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3cc(F)cc(C)c3O)C2)n1 ZINC001238068241 1313755279 /nfs/dbraw/zinc/75/52/79/1313755279.db2.gz XNIGKNYMLDGZFJ-INIZCTEOSA-N 1 0 331.391 2.982 20 10 EFCDRO CCCCOCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207734857 1313760959 /nfs/dbraw/zinc/76/09/59/1313760959.db2.gz PPUFBZNHCSYCEJ-GOSISDBHSA-N 1 0 348.487 2.901 20 10 EFCDRO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(Br)cc1O ZINC000825556175 1301621443 /nfs/dbraw/zinc/62/14/43/1301621443.db2.gz OGKOAJUQIUYEIK-SNVBAGLBSA-N 1 0 343.265 2.890 20 10 EFCDRO FC(F)(F)Oc1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC001207895769 1313797396 /nfs/dbraw/zinc/79/73/96/1313797396.db2.gz DKFHZPDTHPRBGB-HNNXBMFYSA-N 1 0 330.350 2.886 20 10 EFCDRO CCOc1ccc(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c(O)c1 ZINC000796468802 1302059725 /nfs/dbraw/zinc/05/97/25/1302059725.db2.gz JNGZQOWNGQXUPM-MRXNPFEDSA-N 1 0 347.459 2.561 20 10 EFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862215846 1302309953 /nfs/dbraw/zinc/30/99/53/1302309953.db2.gz USBYMDPNZCUOCQ-JTQLQIEISA-N 1 0 328.206 2.540 20 10 EFCDRO NC(=O)CC[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862236384 1302318146 /nfs/dbraw/zinc/31/81/46/1302318146.db2.gz TYPKDNXSUASNOR-NSHDSACASA-N 1 0 341.249 2.632 20 10 EFCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1F ZINC000862251889 1302322434 /nfs/dbraw/zinc/32/24/34/1302322434.db2.gz PWQFRNKAUJTWSF-ZDUSSCGKSA-N 1 0 334.414 2.829 20 10 EFCDRO COC(=O)[C@@H](C)C[N@H+](Cc1cc(F)c(N(C)C)cc1F)C1CC1 ZINC000862302582 1302333180 /nfs/dbraw/zinc/33/31/80/1302333180.db2.gz WMHOGZJFSDIABV-NSHDSACASA-N 1 0 326.387 2.804 20 10 EFCDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1c(O)cccc1Br ZINC000862369485 1302351365 /nfs/dbraw/zinc/35/13/65/1302351365.db2.gz USYXRJHYFZTKFK-BXUZGUMPSA-N 1 0 327.266 2.927 20 10 EFCDRO CN(C)c1cc(F)c(C[N@H+](CCO)C2CCSCC2)cc1F ZINC000862387611 1302362993 /nfs/dbraw/zinc/36/29/93/1302362993.db2.gz OCKWZHWXYZCCOC-UHFFFAOYSA-N 1 0 330.444 2.721 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1CCCN1CC(F)F ZINC000862468293 1302392647 /nfs/dbraw/zinc/39/26/47/1302392647.db2.gz FXQRHSASUCVIBH-GFCCVEGCSA-N 1 0 349.219 2.974 20 10 EFCDRO COC(=O)[C@H](C)Oc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000862476302 1302394446 /nfs/dbraw/zinc/39/44/46/1302394446.db2.gz OYDPOLGTCJSVAO-AWEZNQCLSA-N 1 0 329.396 2.931 20 10 EFCDRO COc1cc(O)c(C[NH2+]Cc2ccc(N(C)C(C)=O)cc2)cc1OC ZINC000862485737 1302398966 /nfs/dbraw/zinc/39/89/66/1302398966.db2.gz POYXNFZJJPUYNY-UHFFFAOYSA-N 1 0 344.411 2.682 20 10 EFCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(OC)ccc2O)Cc2ccccc21 ZINC000862539599 1302409490 /nfs/dbraw/zinc/40/94/90/1302409490.db2.gz ZYQVARABEVFARE-KRWDZBQOSA-N 1 0 327.380 2.673 20 10 EFCDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(Br)ccc1O ZINC000748242487 1313839771 /nfs/dbraw/zinc/83/97/71/1313839771.db2.gz NJOZYGHKQNKYKS-CQSZACIVSA-N 1 0 330.222 2.976 20 10 EFCDRO COc1ccc(N2CC[NH+](CC3(C)CCOCC3)CC2)c(OC)c1 ZINC001208079654 1313842098 /nfs/dbraw/zinc/84/20/98/1313842098.db2.gz VZDLMMZRUWITRU-UHFFFAOYSA-N 1 0 334.460 2.643 20 10 EFCDRO O=C([C@H]1CCC[C@@]12CC[N@@H+](Cc1cc(F)ccc1O)C2)N1CC=CC1 ZINC001278257358 1313846547 /nfs/dbraw/zinc/84/65/47/1313846547.db2.gz UJTFNTDVKOIOAU-XLIONFOSSA-N 1 0 344.430 2.922 20 10 EFCDRO Cc1cc(O)c(C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1C ZINC000119460772 1302618358 /nfs/dbraw/zinc/61/83/58/1302618358.db2.gz SVYYIGZRERDHKX-CQSZACIVSA-N 1 0 348.468 2.849 20 10 EFCDRO C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C(C)(C)C[NH+](C)C ZINC000119482862 1302633225 /nfs/dbraw/zinc/63/32/25/1302633225.db2.gz FVSZCSFUHTXJMS-MRXNPFEDSA-N 1 0 344.503 2.838 20 10 EFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H]2COCCN2)cc1 ZINC000863650019 1302670245 /nfs/dbraw/zinc/67/02/45/1302670245.db2.gz MOPFUXAWPXJUCS-HXUWFJFHSA-N 1 0 339.483 2.791 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000247001338 1303066524 /nfs/dbraw/zinc/06/65/24/1303066524.db2.gz GWRMFYQNWRQKHT-HUUCEWRRSA-N 1 0 349.475 2.739 20 10 EFCDRO C[C@@H]1C[C@@H]1c1nnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000865294158 1303210606 /nfs/dbraw/zinc/21/06/06/1303210606.db2.gz IIMBFJIBELGCSH-CJNGLKHVSA-N 1 0 327.432 2.557 20 10 EFCDRO O=c1ccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c[nH]1 ZINC000865461946 1303268534 /nfs/dbraw/zinc/26/85/34/1303268534.db2.gz FCPWOUQAYDGPAZ-MRXNPFEDSA-N 1 0 347.846 2.900 20 10 EFCDRO CCC(CC)(C[NH2+]Cc1cc(F)cc(C(C)=O)c1O)C(=O)OC ZINC000120724566 1303394169 /nfs/dbraw/zinc/39/41/69/1303394169.db2.gz WNABTYYNICYYAI-UHFFFAOYSA-N 1 0 325.380 2.803 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccc(C)nc3)C2)cc1C ZINC001018519382 1313922369 /nfs/dbraw/zinc/92/23/69/1313922369.db2.gz GJNONKVIYJXLSA-SFHVURJKSA-N 1 0 339.439 2.711 20 10 EFCDRO S=C(NCc1ccc(N2CC[NH2+]CC2)cc1)NC1CCCCCC1 ZINC001239368038 1313930085 /nfs/dbraw/zinc/93/00/85/1313930085.db2.gz CHFFNLYZSBNWTC-UHFFFAOYSA-N 1 0 346.544 2.783 20 10 EFCDRO S=C(NCc1ccc(N2CC[NH2+]CC2)cc1)NCC1CCCCC1 ZINC001239369666 1313930606 /nfs/dbraw/zinc/93/06/06/1313930606.db2.gz XVGZBUZNPIWPEG-UHFFFAOYSA-N 1 0 346.544 2.641 20 10 EFCDRO COCC(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001208566212 1313962737 /nfs/dbraw/zinc/96/27/37/1313962737.db2.gz FJPSUHVTQBXAON-QGZVFWFLSA-N 1 0 348.487 2.757 20 10 EFCDRO COCC1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001208569978 1313964310 /nfs/dbraw/zinc/96/43/10/1313964310.db2.gz WBZOWVSLTHWKFT-QGZVFWFLSA-N 1 0 346.471 2.511 20 10 EFCDRO C[C@@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)c1ccccc1O ZINC000868131063 1304144089 /nfs/dbraw/zinc/14/40/89/1304144089.db2.gz XSGGVGIEDQJUJO-OAHLLOKOSA-N 1 0 327.428 2.884 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC3CCOCC3)C2)cc1C ZINC001018652788 1313990342 /nfs/dbraw/zinc/99/03/42/1313990342.db2.gz PTRQSXTVWGUZDD-SFHVURJKSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3oc(C)nc3C)C2)cc1C ZINC001018668278 1313995016 /nfs/dbraw/zinc/99/50/16/1313995016.db2.gz PZTYCVITJBIIND-INIZCTEOSA-N 1 0 343.427 2.613 20 10 EFCDRO CN1CC2(C1)CCC[N@H+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001276576873 1313990557 /nfs/dbraw/zinc/99/05/57/1313990557.db2.gz OOLFZCDYDJSDJX-UHFFFAOYSA-N 1 0 341.499 2.619 20 10 EFCDRO CC[C@H](CCC(=O)OC)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001208785866 1314016308 /nfs/dbraw/zinc/01/63/08/1314016308.db2.gz FJJNGGJLVPYXTJ-QGZVFWFLSA-N 1 0 348.487 2.934 20 10 EFCDRO CCC[C@H](OC)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001208943030 1314053946 /nfs/dbraw/zinc/05/39/46/1314053946.db2.gz NECKWGUAQLUINC-MJGOQNOKSA-N 1 0 348.487 2.899 20 10 EFCDRO CC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001208968720 1314060681 /nfs/dbraw/zinc/06/06/81/1314060681.db2.gz ZECJJSUMGHMZNK-IBGZPJMESA-N 1 0 329.488 2.977 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870867662 1305641166 /nfs/dbraw/zinc/64/11/66/1305641166.db2.gz ICGFMFFJFCUKRM-UHFFFAOYSA-N 1 0 331.441 2.588 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)C(F)F)cc1C ZINC001036918882 1305738555 /nfs/dbraw/zinc/73/85/55/1305738555.db2.gz RSWMWXZGTVVUJM-ZIAGYGMSSA-N 1 0 326.387 2.643 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC3CCOCC3)C2)cc1C ZINC000968158630 1305927499 /nfs/dbraw/zinc/92/74/99/1305927499.db2.gz PTRQSXTVWGUZDD-GOSISDBHSA-N 1 0 346.471 2.511 20 10 EFCDRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2ccccc2O)s1 ZINC000796527786 1305982350 /nfs/dbraw/zinc/98/23/50/1305982350.db2.gz ASTQJRJBSIFJGR-QWRGUYRKSA-N 1 0 334.445 2.559 20 10 EFCDRO CCOc1ccc(N2CC[NH+](CC3COC(C)(C)OC3)CC2)cc1 ZINC001209202303 1314115253 /nfs/dbraw/zinc/11/52/53/1314115253.db2.gz OYWIMZBPTDFFQA-UHFFFAOYSA-N 1 0 334.460 2.606 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3csnc3C)C2)cc1C ZINC000968456837 1306345732 /nfs/dbraw/zinc/34/57/32/1306345732.db2.gz FDYCEEDRYTZCJL-OAHLLOKOSA-N 1 0 345.468 2.773 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)/C=C\c3ccc[nH]3)C2)cc1C ZINC000968505956 1306411419 /nfs/dbraw/zinc/41/14/19/1306411419.db2.gz JZLMRXKXXIDVPD-XOWYPZSQSA-N 1 0 339.439 2.736 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc(C)sn3)C2)cc1C ZINC000968522602 1306428100 /nfs/dbraw/zinc/42/81/00/1306428100.db2.gz JUEAHTVSDCNNIG-OAHLLOKOSA-N 1 0 345.468 2.773 20 10 EFCDRO CCc1[nH]ccc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000968567574 1306461336 /nfs/dbraw/zinc/46/13/36/1306461336.db2.gz CJJARRQALRQBRD-MRXNPFEDSA-N 1 0 341.455 2.898 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(F)F)[C@H](C)C2)cc1C ZINC001044402451 1306472502 /nfs/dbraw/zinc/47/25/02/1306472502.db2.gz VXSODAJHZMACSZ-TZMCWYRMSA-N 1 0 326.387 2.738 20 10 EFCDRO CC(=O)c1cc(Cl)cc(C[NH2+]C(C)(C)C(=O)N2CCCC2)c1O ZINC000796583153 1306486105 /nfs/dbraw/zinc/48/61/05/1306486105.db2.gz DCYNOMWLBHQCOV-UHFFFAOYSA-N 1 0 338.835 2.739 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3onc(C)c3C)C2)cc1C ZINC001019016000 1314132396 /nfs/dbraw/zinc/13/23/96/1314132396.db2.gz ZIKCTCKMASJLPV-INIZCTEOSA-N 1 0 343.427 2.613 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccon3)[C@@H](C)C2)cc1C ZINC001044485501 1306551832 /nfs/dbraw/zinc/55/18/32/1306551832.db2.gz ZYIYYXMHTKBNNN-HOCLYGCPSA-N 1 0 343.427 2.775 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC(C)(C)O)[C@@H](C)C2)cc1C ZINC001044580895 1306632420 /nfs/dbraw/zinc/63/24/20/1306632420.db2.gz QSMDNMRYYWFYHJ-DOTOQJQBSA-N 1 0 348.487 2.634 20 10 EFCDRO CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC001044877543 1306888389 /nfs/dbraw/zinc/88/83/89/1306888389.db2.gz IWVDVRLEGXJBKJ-SWLSCSKDSA-N 1 0 331.420 2.842 20 10 EFCDRO CCC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC001044877544 1306888958 /nfs/dbraw/zinc/88/89/58/1306888958.db2.gz IWVDVRLEGXJBKJ-WFASDCNBSA-N 1 0 331.420 2.842 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3onc(C)c3C)C2)cc1C ZINC000969035784 1306912906 /nfs/dbraw/zinc/91/29/06/1306912906.db2.gz ZIKCTCKMASJLPV-MRXNPFEDSA-N 1 0 343.427 2.613 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2nccs2)cc1C ZINC001045250435 1307175714 /nfs/dbraw/zinc/17/57/14/1307175714.db2.gz BGMYRGAXIPYTEZ-HNNXBMFYSA-N 1 0 345.468 2.855 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)cc1 ZINC001209516954 1314178316 /nfs/dbraw/zinc/17/83/16/1314178316.db2.gz UURKHNIZXAKQKD-UXHICEINSA-N 1 0 325.456 2.609 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)cc1 ZINC001209516821 1314178355 /nfs/dbraw/zinc/17/83/55/1314178355.db2.gz PRKWZUZFUPTNKL-WOJBJXKFSA-N 1 0 328.456 2.659 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(CN2CC[NH+](CCCO)CC2)cc1 ZINC001209516972 1314178692 /nfs/dbraw/zinc/17/86/92/1314178692.db2.gz VCUDISXCDMTCAY-UHFFFAOYSA-N 1 0 327.472 2.594 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CCC3(CNC(=O)N3)CC2)cc1 ZINC001209520184 1314179315 /nfs/dbraw/zinc/17/93/15/1314179315.db2.gz QBYRJSANSDQQBL-UHFFFAOYSA-N 1 0 338.455 2.742 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(CN2CCOC[C@@H]2C[NH+](C)C)cc1 ZINC001209520181 1314179475 /nfs/dbraw/zinc/17/94/75/1314179475.db2.gz PXZGTDIWHSZXIX-FQEVSTJZSA-N 1 0 327.472 2.857 20 10 EFCDRO O=C(/C=C/c1ccccc1)NCCC[NH2+]Cc1cc(F)ccc1O ZINC000800544545 1308100232 /nfs/dbraw/zinc/10/02/32/1308100232.db2.gz LLDQIPRMEDSZHR-JXMROGBWSA-N 1 0 328.387 2.841 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)cc1Cl ZINC001276372071 1314235305 /nfs/dbraw/zinc/23/53/05/1314235305.db2.gz HFWZAURRZAUKPL-WMLDXEAASA-N 1 0 346.862 2.783 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)cc1C ZINC001019270065 1314247632 /nfs/dbraw/zinc/24/76/32/1314247632.db2.gz DNZDFRJVSBXGMV-MLHJIOFPSA-N 1 0 328.456 2.740 20 10 EFCDRO COc1c(O)c(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)ccc1[N+](=O)[O-] ZINC000278136711 1314256941 /nfs/dbraw/zinc/25/69/41/1314256941.db2.gz AFUPLCHMADMISA-CQSZACIVSA-N 1 0 338.404 2.946 20 10 EFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)cc2)C1 ZINC000800968041 1308758407 /nfs/dbraw/zinc/75/84/07/1308758407.db2.gz DRZXZSCZTAHEQU-DKKFBQAASA-N 1 0 327.472 2.667 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccc(Cl)[nH]3)C2)cc1C ZINC001019343946 1314283956 /nfs/dbraw/zinc/28/39/56/1314283956.db2.gz HAIBSQMTNNARLH-AWEZNQCLSA-N 1 0 347.846 2.989 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046862144 1309551225 /nfs/dbraw/zinc/55/12/25/1309551225.db2.gz GMEWPHGQVWMWLC-QGZVFWFLSA-N 1 0 331.420 2.699 20 10 EFCDRO C[C@]1(NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@H+](CC2CCC2)C1 ZINC001046862459 1309552152 /nfs/dbraw/zinc/55/21/52/1309552152.db2.gz KJACZLAUAZVJQF-SFHVURJKSA-N 1 0 343.431 2.843 20 10 EFCDRO CCCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046869223 1309575451 /nfs/dbraw/zinc/57/54/51/1309575451.db2.gz MTHOOIJQMHLIBI-QGZVFWFLSA-N 1 0 331.420 2.843 20 10 EFCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CCNS(=O)(=O)c2ccccc2)c1 ZINC000801735701 1310825342 /nfs/dbraw/zinc/82/53/42/1310825342.db2.gz XUZALBJEVJLMIV-HNNXBMFYSA-N 1 0 348.468 2.547 20 10 EFCDRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000749572622 1311033873 /nfs/dbraw/zinc/03/38/73/1311033873.db2.gz NMGHRFBYXYWWED-IBGZPJMESA-N 1 0 345.487 2.608 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CSC)C2)cc1C ZINC001047703376 1311094424 /nfs/dbraw/zinc/09/44/24/1311094424.db2.gz OWRUTZMUYXRFBB-GDBMZVCRSA-N 1 0 336.501 2.693 20 10 EFCDRO Oc1c(CN2CC[C@@]3(C2)CCCC[NH2+]3)cc2c3c1CCCN3CCC2 ZINC001222427920 1311129596 /nfs/dbraw/zinc/12/95/96/1311129596.db2.gz XTGNOYJXXLQKTP-OAQYLSRUSA-N 1 0 341.499 2.809 20 10 EFCDRO CCOC(=O)c1c(CN2CC[C@]3(CCC[NH2+]3)C2)c2ccccc2n1C ZINC001222471675 1311137669 /nfs/dbraw/zinc/13/76/69/1311137669.db2.gz UYGVNLHSNVJGHM-HXUWFJFHSA-N 1 0 341.455 2.683 20 10 EFCDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000752151548 1311148155 /nfs/dbraw/zinc/14/81/55/1311148155.db2.gz JTJPEBIABBUAMI-JFIYKMOQSA-N 1 0 346.471 2.773 20 10 EFCDRO [NH3+]CC1(F)CC[NH+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001222548328 1311150999 /nfs/dbraw/zinc/15/09/99/1311150999.db2.gz GSMTWYBPEQODEH-UHFFFAOYSA-N 1 0 335.192 2.557 20 10 EFCDRO Oc1cc(F)c(F)cc1CN1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222608779 1311160044 /nfs/dbraw/zinc/16/00/44/1311160044.db2.gz FARPXNIBJGOUKK-HNNXBMFYSA-N 1 0 330.378 2.859 20 10 EFCDRO c1cc(N2CCCCC2)ccc1CN1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001222674697 1311171010 /nfs/dbraw/zinc/17/10/10/1311171010.db2.gz OLCHPLYHWCEFRA-NRFANRHFSA-N 1 0 342.531 2.594 20 10 EFCDRO CC(C)(C)NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc(O)c(O)c1 ZINC001276914388 1311295670 /nfs/dbraw/zinc/29/56/70/1311295670.db2.gz PEXCJRRORPVJJX-OSRSDYAFSA-N 1 0 332.444 2.517 20 10 EFCDRO Cc1cc(C[NH+]2CCC3(C=C(C(N)=O)CC3)CC2)ccc1N(C)C ZINC001276929056 1311316238 /nfs/dbraw/zinc/31/62/38/1311316238.db2.gz JKYCFEZETDXPHQ-UHFFFAOYSA-N 1 0 327.472 2.849 20 10 EFCDRO Cc1cc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CCCCO2)ccc1N(C)C ZINC001276929229 1311316850 /nfs/dbraw/zinc/31/68/50/1311316850.db2.gz PPSAHRGCOUJKFE-XLIONFOSSA-N 1 0 343.471 2.579 20 10 EFCDRO CCN(C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(N(C)C)cc1)C2)C(C)C ZINC001276958843 1311366623 /nfs/dbraw/zinc/36/66/23/1311366623.db2.gz XAJCUTOEQQCMLY-YLJYHZDGSA-N 1 0 329.488 2.831 20 10 EFCDRO C[C@H]([NH2+]CC1CC1)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001048067737 1311426317 /nfs/dbraw/zinc/42/63/17/1311426317.db2.gz BKZCTJLAPHPOOW-WFASDCNBSA-N 1 0 343.431 2.699 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2c(F)cncc2F)cc1C ZINC001158995252 1311430617 /nfs/dbraw/zinc/43/06/17/1311430617.db2.gz DIAOROXMAZYKKP-UHFFFAOYSA-N 1 0 349.381 2.587 20 10 EFCDRO CC(C)[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001048071739 1311432153 /nfs/dbraw/zinc/43/21/53/1311432153.db2.gz KSXOGNDWGOGDBK-JSGCOSHPSA-N 1 0 331.420 2.698 20 10 EFCDRO COc1ccc(N2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1F ZINC001277009987 1311457188 /nfs/dbraw/zinc/45/71/88/1311457188.db2.gz PZJPXDXOCJHWTF-IYBDPMFKSA-N 1 0 344.434 2.906 20 10 EFCDRO COc1ccc(N2CCC3(CC[N@H+](CCN(C)C)C3)CC2)cc1F ZINC001277010936 1311458282 /nfs/dbraw/zinc/45/82/82/1311458282.db2.gz ZJUAXXLZIFQKSX-UHFFFAOYSA-N 1 0 335.467 2.688 20 10 EFCDRO COC[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001225347464 1311511063 /nfs/dbraw/zinc/51/10/63/1311511063.db2.gz YWIAJCDSIDUEIM-CGTJXYLNSA-N 1 0 348.487 2.803 20 10 EFCDRO Nc1ccc2c(c1NC=C1CC[NH2+]CC1)C(=O)c1ccccc1C2=O ZINC001159782216 1311583328 /nfs/dbraw/zinc/58/33/28/1311583328.db2.gz BHNVXIQFWLVTMU-UHFFFAOYSA-N 1 0 333.391 2.723 20 10 EFCDRO C[NH+](C)C[C@H](NC(=O)c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000802377344 1311604666 /nfs/dbraw/zinc/60/46/66/1311604666.db2.gz GARQWRAADFFQQI-AWEZNQCLSA-N 1 0 334.803 2.784 20 10 EFCDRO Cc1nc(N(C)C)cc(NCc2cc(Br)ccc2O)[nH+]1 ZINC001160012073 1311627995 /nfs/dbraw/zinc/62/79/95/1311627995.db2.gz KXDLLVMEXDLJDD-UHFFFAOYSA-N 1 0 337.221 2.931 20 10 EFCDRO CCN(C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc(O)cc1O)C(C)C ZINC001277190942 1311779781 /nfs/dbraw/zinc/77/97/81/1311779781.db2.gz XPSAYXBKSUQFPK-SPLQCWDRSA-N 1 0 346.471 2.859 20 10 EFCDRO CC(C)(C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001277192336 1311780922 /nfs/dbraw/zinc/78/09/22/1311780922.db2.gz MQRQRTFIIWZANK-OAHLLOKOSA-N 1 0 332.444 2.615 20 10 EFCDRO CN(C)C(=O)[C@@H]1CCC2(C1)CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001277192987 1311782076 /nfs/dbraw/zinc/78/20/76/1311782076.db2.gz WRGJTJDHSJFIDP-CQSZACIVSA-N 1 0 332.444 2.568 20 10 EFCDRO O=C(NCC(F)F)C12CC([NH2+]Cc3ccc(N4CCCC4)cc3)(C1)C2 ZINC001277209647 1311807029 /nfs/dbraw/zinc/80/70/29/1311807029.db2.gz JCQCMEXUHVQSNA-UHFFFAOYSA-N 1 0 349.425 2.680 20 10 EFCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C[NH2+]CC1CC1 ZINC001048477467 1311808317 /nfs/dbraw/zinc/80/83/17/1311808317.db2.gz CSGDRHXLBFBDRR-IUODEOHRSA-N 1 0 343.431 2.557 20 10 EFCDRO CC[C@H](C)[C@@H](OC)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001161388411 1311875530 /nfs/dbraw/zinc/87/55/30/1311875530.db2.gz QOELRRNDBQJCSG-KBXCAEBGSA-N 1 0 336.476 2.661 20 10 EFCDRO CC[C@@H](C)[C@H](OC)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001161388412 1311875695 /nfs/dbraw/zinc/87/56/95/1311875695.db2.gz QOELRRNDBQJCSG-KDOFPFPSSA-N 1 0 336.476 2.661 20 10 EFCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@]4(CCC[C@H]4C(N)=O)C3)ccc21 ZINC001277253786 1311875741 /nfs/dbraw/zinc/87/57/41/1311875741.db2.gz JOPVTQAHYHOTFN-PXNSSMCTSA-N 1 0 327.472 2.547 20 10 EFCDRO CN1CCCc2cc(C[NH2+]C34CC(C(=O)NC(C)(C)C)(C3)C4)ccc21 ZINC001277254382 1311876486 /nfs/dbraw/zinc/87/64/86/1311876486.db2.gz RIOYHRJSZZTCIR-UHFFFAOYSA-N 1 0 341.499 2.996 20 10 EFCDRO COCCO[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000802652409 1311886648 /nfs/dbraw/zinc/88/66/48/1311886648.db2.gz FVUAFKMLLYNNKK-AWEZNQCLSA-N 1 0 329.824 2.682 20 10 EFCDRO COc1cccc(O)c1C[N@H+](CCNC(C)=O)Cc1ccc(C)s1 ZINC000802653390 1311887168 /nfs/dbraw/zinc/88/71/68/1311887168.db2.gz UJHFLOUMFVLYAM-UHFFFAOYSA-N 1 0 348.468 2.909 20 10 EFCDRO CC[N@@H+]1CC[C@H](Oc2c(O)c(O)ccc2C(=O)c2ccc(O)cc2)C1 ZINC001228112793 1311901347 /nfs/dbraw/zinc/90/13/47/1311901347.db2.gz AOFHOTKTHVGTFB-AWEZNQCLSA-N 1 0 343.379 2.507 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@H](Cc3nc(C)no3)C2)c(O)cc1C ZINC000902586511 1311906669 /nfs/dbraw/zinc/90/66/69/1311906669.db2.gz YLFVESBSUOCLMU-AWEZNQCLSA-N 1 0 331.416 2.855 20 10 EFCDRO CCOC(=O)C(=Cc1cc(C)c(C)nc1-n1nccc1C[NH3+])N=[N+]=[N-] ZINC001162590650 1312131538 /nfs/dbraw/zinc/13/15/38/1312131538.db2.gz FVRFFWFZGMUDHT-ZSOIEALJSA-N 1 0 341.375 2.557 20 10 EFCDRO O=C(NCC(F)F)[C@@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001277442241 1312178603 /nfs/dbraw/zinc/17/86/03/1312178603.db2.gz UVZAFNQURLHCSW-KBXCAEBGSA-N 1 0 338.398 2.766 20 10 EFCDRO CN(C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccccc1O)C1CC(F)(F)C1 ZINC001277447002 1312194681 /nfs/dbraw/zinc/19/46/81/1312194681.db2.gz YBZFNGYYGGLWPK-ACJLOTCBSA-N 1 0 336.382 2.613 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NC(C)(C)C)c(O)c1 ZINC001277454434 1312230193 /nfs/dbraw/zinc/23/01/93/1312230193.db2.gz RHBTWXQUQOQZIL-XLQHLMKVSA-N 1 0 346.471 2.820 20 10 EFCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)[C@@H]3CCCO3)CC2)cc1C ZINC001163338570 1312292503 /nfs/dbraw/zinc/29/25/03/1312292503.db2.gz YTSVVYLHKJTWPM-SFHVURJKSA-N 1 0 346.471 2.559 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NC(C)(C)C)c1 ZINC001277464467 1312320921 /nfs/dbraw/zinc/32/09/21/1312320921.db2.gz XBBDRCGYPMMAMU-XLQHLMKVSA-N 1 0 346.471 2.820 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NC(C)(C)C)c1 ZINC001277464592 1312320969 /nfs/dbraw/zinc/32/09/69/1312320969.db2.gz YDOSRFIANWPHRR-ZSBFGKGUSA-N 1 0 346.471 2.774 20 10 EFCDRO CCO[C@H](C)C(=O)NCCC1(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001163557771 1312337193 /nfs/dbraw/zinc/33/71/93/1312337193.db2.gz OFHPQJTYMFNINN-MRXNPFEDSA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)c3ccon3)CC2)cc1C ZINC001163625695 1312349769 /nfs/dbraw/zinc/34/97/69/1312349769.db2.gz GYYJIISBCHAPTC-UHFFFAOYSA-N 1 0 343.427 2.682 20 10 EFCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)COC(C)C)CC2)cc1C ZINC001163688471 1312364796 /nfs/dbraw/zinc/36/47/96/1312364796.db2.gz PPOYTMRUGFMLAW-UHFFFAOYSA-N 1 0 348.487 2.805 20 10 EFCDRO CC[C@@H](OC)C(=O)NCCC1(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001163725275 1312372540 /nfs/dbraw/zinc/37/25/40/1312372540.db2.gz PCMRIHNIPULMJW-QGZVFWFLSA-N 1 0 348.487 2.805 20 10 EFCDRO CCOCCC(=O)NCCC1(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001163774846 1312381699 /nfs/dbraw/zinc/38/16/99/1312381699.db2.gz VLWBVKFLLGLMQC-UHFFFAOYSA-N 1 0 348.487 2.806 20 10 EFCDRO O=C([C@@H]1CC12CC[NH+](Cc1c([O-])cccc1F)CC2)N1CCCCO1 ZINC001277491193 1312443216 /nfs/dbraw/zinc/44/32/16/1312443216.db2.gz FISZVNBRFSMAHT-HNNXBMFYSA-N 1 0 348.418 2.687 20 10 EFCDRO CN(C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001277505119 1312475414 /nfs/dbraw/zinc/47/54/14/1312475414.db2.gz BWSXMQSWUMWOOH-KCITZHQASA-N 1 0 328.456 2.604 20 10 EFCDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000903235861 1312486024 /nfs/dbraw/zinc/48/60/24/1312486024.db2.gz WQPBONUPQGETIS-CQSZACIVSA-N 1 0 348.468 2.850 20 10 EFCDRO Cc1cc(F)cc(C[NH+]2CCC3(CN(C(=O)NC(C)C)C3)CC2)c1O ZINC001277519622 1312499389 /nfs/dbraw/zinc/49/93/89/1312499389.db2.gz FSMNJAFHLJHLPH-UHFFFAOYSA-N 1 0 349.450 2.856 20 10 EFCDRO Cc1cc(F)cc(C[N@H+]2CCCC3(CN(C(=O)NC(C)C)C3)C2)c1O ZINC001277519889 1312500178 /nfs/dbraw/zinc/50/01/78/1312500178.db2.gz PQDZMLPZJHLNOT-UHFFFAOYSA-N 1 0 349.450 2.856 20 10 EFCDRO O=C([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c(O)c1 ZINC001231452884 1312501574 /nfs/dbraw/zinc/50/15/74/1312501574.db2.gz WDFSSHADTKLQTA-QGZVFWFLSA-N 1 0 332.444 2.931 20 10 EFCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)CC(C)(C)O)CC2)cc1C ZINC001164374017 1312503266 /nfs/dbraw/zinc/50/32/66/1312503266.db2.gz HZMKSSZWAFCEGR-UHFFFAOYSA-N 1 0 348.487 2.541 20 10 EFCDRO COc1ccc(Br)c(C[N@@H+]2CCC[C@]3(CCO3)C2)c1O ZINC001231554356 1312523999 /nfs/dbraw/zinc/52/39/99/1312523999.db2.gz POOGDAPXUQNPOB-HNNXBMFYSA-N 1 0 342.233 2.918 20 10 EFCDRO COc1ccc(Br)c(C[N@@H+]2CCC[C@](C)(O)C2)c1O ZINC001231554594 1312524041 /nfs/dbraw/zinc/52/40/41/1312524041.db2.gz YWSJTWDDBZBKAM-AWEZNQCLSA-N 1 0 330.222 2.510 20 10 EFCDRO COc1ccc(Br)c(C[N@@H+]2CCC[C@@H](CCO)C2)c1O ZINC001231554461 1312524554 /nfs/dbraw/zinc/52/45/54/1312524554.db2.gz UAIWTMAAQRGCCM-NSHDSACASA-N 1 0 344.249 2.758 20 10 EFCDRO COc1ccc(Br)c(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1O ZINC001231557514 1312525187 /nfs/dbraw/zinc/52/51/87/1312525187.db2.gz UHYJAEVKJUPVBN-OWUUHHOZSA-N 1 0 330.197 2.811 20 10 EFCDRO CCNC(=O)COC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC001231589638 1312528841 /nfs/dbraw/zinc/52/88/41/1312528841.db2.gz NZUGPMFSAXJHSU-UHFFFAOYSA-N 1 0 342.439 2.663 20 10 EFCDRO CC1(C)CN(C2C[NH+](Cc3c(O)ccc4ccccc43)C2)CCO1 ZINC001231590402 1312528939 /nfs/dbraw/zinc/52/89/39/1312528939.db2.gz YEBQJZQZBWXJRS-UHFFFAOYSA-N 1 0 326.440 2.840 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2csc(C)n2)cc1C ZINC001164520077 1312531838 /nfs/dbraw/zinc/53/18/38/1312531838.db2.gz BMFSAKWBUPPDPT-UHFFFAOYSA-N 1 0 333.457 2.678 20 10 EFCDRO COc1cc(C[NH+]2CCN(c3ccccc3C)CC2)c(O)cc1O ZINC001231634711 1312536048 /nfs/dbraw/zinc/53/60/48/1312536048.db2.gz RLWSKLWMZFWEHO-UHFFFAOYSA-N 1 0 328.412 2.737 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)c(O)cc1O ZINC001231635125 1312536324 /nfs/dbraw/zinc/53/63/24/1312536324.db2.gz WBOFKGOTJGQCCB-BMIGLBTASA-N 1 0 349.349 2.632 20 10 EFCDRO COc1cc(C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)c(O)cc1O ZINC001231637050 1312536617 /nfs/dbraw/zinc/53/66/17/1312536617.db2.gz YUPSGCOMNSUPTA-MRXNPFEDSA-N 1 0 328.412 2.595 20 10 EFCDRO COc1cc(CN2CC[NH+]([C@H](C)c3ccccc3)CC2)c(O)cc1O ZINC001231636376 1312536668 /nfs/dbraw/zinc/53/66/68/1312536668.db2.gz UAYCGSVOZPCKCZ-OAHLLOKOSA-N 1 0 342.439 2.985 20 10 EFCDRO COc1cc(C[N@H+](C)CCCC(=O)c2cccnc2)c(O)cc1O ZINC001231636467 1312537243 /nfs/dbraw/zinc/53/72/43/1312537243.db2.gz WJEIBAWCLCODRX-UHFFFAOYSA-N 1 0 330.384 2.596 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)c(O)cc1O ZINC001231639635 1312537594 /nfs/dbraw/zinc/53/75/94/1312537594.db2.gz YFOKNISYETUKDT-CYBMUJFWSA-N 1 0 337.416 2.803 20 10 EFCDRO COc1cc(C[NH+]2CCC(Oc3ncccc3C)CC2)c(O)cc1O ZINC001231640122 1312537637 /nfs/dbraw/zinc/53/76/37/1312537637.db2.gz OVBOOBNMEXNQDN-UHFFFAOYSA-N 1 0 344.411 2.853 20 10 EFCDRO COc1cc(CN(C)CC[N@H+](C)Cc2ccccc2)c(O)cc1O ZINC001231639264 1312538025 /nfs/dbraw/zinc/53/80/25/1312538025.db2.gz NQXYPCXZJJLFHM-UHFFFAOYSA-N 1 0 330.428 2.670 20 10 EFCDRO CC[C@@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1cc(Cl)ccc1O ZINC000903291254 1312542542 /nfs/dbraw/zinc/54/25/42/1312542542.db2.gz TWEBMHVJVBPBGZ-CQSZACIVSA-N 1 0 346.880 2.512 20 10 EFCDRO COc1ccc(N2CC[NH+](Cc3nc(C)ccc3O)CC2)c(C)c1 ZINC001231674678 1312547989 /nfs/dbraw/zinc/54/79/89/1312547989.db2.gz DBFYTFWTXLHUTM-UHFFFAOYSA-N 1 0 327.428 2.735 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C23CC(C(=O)N4CC=CC4)(C2)C3)c(Cl)c1 ZINC001277551246 1312549202 /nfs/dbraw/zinc/54/92/02/1312549202.db2.gz KVBCQUIVSCIYMD-UHFFFAOYSA-N 1 0 345.874 2.817 20 10 EFCDRO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)Nc2cn[nH]c2)c(O)c1 ZINC001277559742 1312556970 /nfs/dbraw/zinc/55/69/70/1312556970.db2.gz IMFLTFDNLRIGIO-JLVBRIDZSA-N 1 0 340.427 2.520 20 10 EFCDRO Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCO3)CC2)c(O)c1 ZINC001277566437 1312565352 /nfs/dbraw/zinc/56/53/52/1312565352.db2.gz HUWWLGZMVNYWNO-KRWDZBQOSA-N 1 0 344.455 2.857 20 10 EFCDRO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N2CCCCO2)c(O)c1 ZINC001277569325 1312568418 /nfs/dbraw/zinc/56/84/18/1312568418.db2.gz ZTHKFUXEHGZXSB-IZZQQSIFSA-N 1 0 344.455 2.713 20 10 EFCDRO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CCCC23CC3)c(O)c1 ZINC001277569200 1312568771 /nfs/dbraw/zinc/56/87/71/1312568771.db2.gz YCXFKSMMSKRGSU-OXJNMPFZSA-N 1 0 326.440 2.820 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2c(C)cc(C)cc2O)Cc2c1cnn2C ZINC001231843901 1312572848 /nfs/dbraw/zinc/57/28/48/1312572848.db2.gz HGPHBTNLXVAINC-HNNXBMFYSA-N 1 0 329.444 2.878 20 10 EFCDRO Cc1cc(C)c(C[NH+]2CCN(c3nc(C)cc(C)n3)CC2)c(O)c1 ZINC001231845527 1312573345 /nfs/dbraw/zinc/57/33/45/1312573345.db2.gz OJVNRTXHZKHBHW-UHFFFAOYSA-N 1 0 326.444 2.738 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2c(C)cc(C)cc2O)Cc2ncn(C)c21 ZINC001231845313 1312573518 /nfs/dbraw/zinc/57/35/18/1312573518.db2.gz XFXVPHFSJVAYTI-OAHLLOKOSA-N 1 0 329.444 2.878 20 10 EFCDRO Cc1cc(C)c(C[NH+]2CCC(NC(=O)c3ccncc3)CC2)c(O)c1 ZINC001231850442 1312573852 /nfs/dbraw/zinc/57/38/52/1312573852.db2.gz PPIXKXCTPXSUQB-UHFFFAOYSA-N 1 0 339.439 2.798 20 10 EFCDRO CCOC(=O)C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231852149 1312574050 /nfs/dbraw/zinc/57/40/50/1312574050.db2.gz QYHQAJSPYZHMIS-OAHLLOKOSA-N 1 0 334.460 2.926 20 10 EFCDRO Cc1cc(C)c(C[NH+]2CCC(OCC(=O)N3CCCC3)CC2)c(O)c1 ZINC001231848841 1312574123 /nfs/dbraw/zinc/57/41/23/1312574123.db2.gz JUEXCJQOJFCPNH-UHFFFAOYSA-N 1 0 346.471 2.612 20 10 EFCDRO Cc1cc(C)c(C[NH+]2CCC(Oc3ncc(F)cn3)CC2)c(O)c1 ZINC001231851092 1312574128 /nfs/dbraw/zinc/57/41/28/1312574128.db2.gz ZVQVBELKZAPXMW-UHFFFAOYSA-N 1 0 331.391 2.982 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001231849733 1312574500 /nfs/dbraw/zinc/57/45/00/1312574500.db2.gz XOEKLPMPHBBXRK-LRDDRELGSA-N 1 0 346.393 2.896 20 10 EFCDRO CCN(C(C)=O)C1CC[NH+](Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231854528 1312575309 /nfs/dbraw/zinc/57/53/09/1312575309.db2.gz FEJXILAUNFWJAR-UHFFFAOYSA-N 1 0 333.476 2.594 20 10 EFCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2OC)[C@@H]1C ZINC001231852841 1312575350 /nfs/dbraw/zinc/57/53/50/1312575350.db2.gz BBRSYISRQKARSD-PBHICJAKSA-N 1 0 334.460 2.925 20 10 EFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(c2nnc(C)o2)CC1 ZINC001231855622 1312575485 /nfs/dbraw/zinc/57/54/85/1312575485.db2.gz XHPVPYBQHGZYIQ-UHFFFAOYSA-N 1 0 330.432 2.832 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](Oc2ncc(C)cn2)C1 ZINC001231858339 1312575637 /nfs/dbraw/zinc/57/56/37/1312575637.db2.gz UESVQBOFDYNBKZ-QGZVFWFLSA-N 1 0 342.443 2.513 20 10 EFCDRO CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231855078 1312575804 /nfs/dbraw/zinc/57/58/04/1312575804.db2.gz QDOLTRJZSKGDAB-IBGZPJMESA-N 1 0 334.460 2.926 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001231855380 1312576139 /nfs/dbraw/zinc/57/61/39/1312576139.db2.gz RLGIBYFXZUYDLD-SFHVURJKSA-N 1 0 327.428 2.810 20 10 EFCDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)n1 ZINC001231872405 1312578332 /nfs/dbraw/zinc/57/83/32/1312578332.db2.gz YYAUGAIJRYIOIT-ZDUSSCGKSA-N 1 0 349.818 2.806 20 10 EFCDRO COC(=O)CC[C@H]1COCCN1Cc1ccc2ccccc2c1O ZINC001231881665 1312580137 /nfs/dbraw/zinc/58/01/37/1312580137.db2.gz ADVSCQKDZVJKHV-INIZCTEOSA-N 1 0 329.396 2.699 20 10 EFCDRO CC(C)(O)CCN1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC001231883705 1312580669 /nfs/dbraw/zinc/58/06/69/1312580669.db2.gz SWKVYFOFELDGAN-UHFFFAOYSA-N 1 0 328.456 2.824 20 10 EFCDRO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2O)C1=O ZINC000903392560 1312627550 /nfs/dbraw/zinc/62/75/50/1312627550.db2.gz UOXFFGZVMBFBDD-MFKMUULPSA-N 1 0 341.249 2.816 20 10 EFCDRO C[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000903404895 1312636802 /nfs/dbraw/zinc/63/68/02/1312636802.db2.gz AKFZVVLMNFWKSY-FZKQIMNGSA-N 1 0 338.879 2.988 20 10 EFCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C[C@@]1(C)O ZINC001232194294 1312646130 /nfs/dbraw/zinc/64/61/30/1312646130.db2.gz HXTMIQHBRLOOMH-RDTXWAMCSA-N 1 0 338.879 2.769 20 10 EFCDRO C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)[C@H]1CO ZINC001232194201 1312646345 /nfs/dbraw/zinc/64/63/45/1312646345.db2.gz DTIDJYILQOTVOT-KSSFIOAISA-N 1 0 338.879 2.769 20 10 EFCDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@H]21 ZINC001232199558 1312646946 /nfs/dbraw/zinc/64/69/46/1312646946.db2.gz CKGWZZJYCICFMF-QFBILLFUSA-N 1 0 349.906 2.703 20 10 EFCDRO C[N@H+](C1CC1)[C@H]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232200894 1312647004 /nfs/dbraw/zinc/64/70/04/1312647004.db2.gz FHINJUBJSQTHBB-KRWDZBQOSA-N 1 0 349.906 2.845 20 10 EFCDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@@H]21 ZINC001232199557 1312647024 /nfs/dbraw/zinc/64/70/24/1312647024.db2.gz CKGWZZJYCICFMF-LPHOPBHVSA-N 1 0 349.906 2.703 20 10 EFCDRO Clc1cc(C[NH+]2CCC3(COC3)CC2)ccc1N1CCOCC1 ZINC001232198471 1312647433 /nfs/dbraw/zinc/64/74/33/1312647433.db2.gz SYSKLGBWTZVXCE-UHFFFAOYSA-N 1 0 336.863 2.789 20 10 EFCDRO CCN1C(=O)CCC12CC[NH+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232257357 1312659301 /nfs/dbraw/zinc/65/93/01/1312659301.db2.gz CUJRYMDCFQELPA-UHFFFAOYSA-N 1 0 338.835 2.728 20 10 EFCDRO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232262410 1312660812 /nfs/dbraw/zinc/66/08/12/1312660812.db2.gz GGKDFLAOZAKBMO-MRXNPFEDSA-N 1 0 327.808 2.916 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3cnccn3)C2)cc1Cl ZINC001232266167 1312661587 /nfs/dbraw/zinc/66/15/87/1312661587.db2.gz RBJMQENVCGMUPT-GFCCVEGCSA-N 1 0 335.791 2.585 20 10 EFCDRO Cc1cncnc1O[C@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232266218 1312661758 /nfs/dbraw/zinc/66/17/58/1312661758.db2.gz RRVVOKBBYIOFGE-ZDUSSCGKSA-N 1 0 349.818 2.893 20 10 EFCDRO Cc1cncnc1O[C@@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232265706 1312662249 /nfs/dbraw/zinc/66/22/49/1312662249.db2.gz OUYAGXJAMMSWFF-GFCCVEGCSA-N 1 0 335.791 2.503 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC3(CCC(=O)N3C)CC2)cc1Cl ZINC001232270560 1312663322 /nfs/dbraw/zinc/66/33/22/1312663322.db2.gz FMFCZUPTTIXTGM-UHFFFAOYSA-N 1 0 338.835 2.641 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3ncncc3C)C2)cc1Cl ZINC001232271251 1312663396 /nfs/dbraw/zinc/66/33/96/1312663396.db2.gz SVIKKTJNEXICEK-CYBMUJFWSA-N 1 0 349.818 2.806 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3nccc(C)n3)C2)cc1Cl ZINC001232271561 1312663700 /nfs/dbraw/zinc/66/37/00/1312663700.db2.gz WWILPTGQQUNNTB-CYBMUJFWSA-N 1 0 349.818 2.806 20 10 EFCDRO COCC[C@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001211170304 1314445095 /nfs/dbraw/zinc/44/50/95/1314445095.db2.gz WXELOIJRGLVRHK-YJBOKZPZSA-N 1 0 348.487 2.757 20 10 EFCDRO COc1c[nH+]ccc1Nc1cccc2c1C(=O)c1cccc(N)c1C2=O ZINC001211263933 1314465766 /nfs/dbraw/zinc/46/57/66/1314465766.db2.gz OLNFJLZQDDKKPB-UHFFFAOYSA-N 1 0 345.358 2.613 20 10 EFCDRO CCCC[NH2+][C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001211344297 1314480580 /nfs/dbraw/zinc/48/05/80/1314480580.db2.gz AGBCKACEJJSOPL-OAHLLOKOSA-N 1 0 331.420 2.843 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]([NH2+]C/C=C/Cl)C2)cc1 ZINC001211346397 1314481287 /nfs/dbraw/zinc/48/12/87/1314481287.db2.gz OZPZFXKFVDKKLY-GCQUWVNZSA-N 1 0 349.822 2.796 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(C)o3)C2)cc1C ZINC001019972178 1314552567 /nfs/dbraw/zinc/55/25/67/1314552567.db2.gz GFCQFYRARMSLHK-WKILWMFISA-N 1 0 328.412 2.956 20 10 EFCDRO O=C(c1ccc(Cl)cc1)c1ccccc1NC[C@]1(O)CC[NH2+]C1 ZINC001245965258 1314556527 /nfs/dbraw/zinc/55/65/27/1314556527.db2.gz FBAXTCFVUQYMMJ-SFHVURJKSA-N 1 0 330.815 2.707 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CC3CCOCC3)C2)cc1C ZINC001020033093 1314578220 /nfs/dbraw/zinc/57/82/20/1314578220.db2.gz VGZNYVJSDKQFDA-IYARVYRRSA-N 1 0 346.471 2.557 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ncccc3C)C2)cc1C ZINC001020059356 1314593413 /nfs/dbraw/zinc/59/34/13/1314593413.db2.gz QPQDGQWJBUOZAX-QAQDUYKDSA-N 1 0 339.439 2.758 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(F)cn3)C2)cc1C ZINC001020092669 1314607521 /nfs/dbraw/zinc/60/75/21/1314607521.db2.gz ATTNDBZDMAAICI-WKILWMFISA-N 1 0 343.402 2.588 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3ccoc3)C2)cc1C ZINC001020100308 1314609929 /nfs/dbraw/zinc/60/99/29/1314609929.db2.gz WYEXDPQUZYTRFA-QAQDUYKDSA-N 1 0 328.412 2.576 20 10 EFCDRO C[C@H]1C[C@@H](N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)CC[NH2+]1 ZINC001246343864 1314613388 /nfs/dbraw/zinc/61/33/88/1314613388.db2.gz SOEAZJTYFIWTBT-AFHBHXEDSA-N 1 0 341.455 2.569 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCOC(C)C)C[C@H]2C)cc1C ZINC001214188562 1314655820 /nfs/dbraw/zinc/65/58/20/1314655820.db2.gz QNVVMDJOQQJLPR-SJLPKXTDSA-N 1 0 348.487 2.755 20 10 EFCDRO CC[C@H](C)OCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001214459372 1314694550 /nfs/dbraw/zinc/69/45/50/1314694550.db2.gz XIEWWRWHPLKVDU-SOLBZPMBSA-N 1 0 348.487 2.755 20 10 EFCDRO C[C@H]1C[C@H](N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246997980 1314727668 /nfs/dbraw/zinc/72/76/68/1314727668.db2.gz WUMJYLAAWVXAKT-DZGCQCFKSA-N 1 0 343.393 2.848 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[C@H]3OC)C2)cc1C ZINC001020314468 1314728422 /nfs/dbraw/zinc/72/84/22/1314728422.db2.gz QKPKVBALPOJGHW-YWTNHNAXSA-N 1 0 346.471 2.556 20 10 EFCDRO COCC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001215151167 1314789900 /nfs/dbraw/zinc/78/99/00/1314789900.db2.gz MLTBNFSLTZJTNT-NVXWUHKLSA-N 1 0 348.487 2.613 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(CN[C@H]3CC[NH2+]C3)n2)cc1 ZINC001247701798 1314825687 /nfs/dbraw/zinc/82/56/87/1314825687.db2.gz WMJIERMOYUNKLE-INIZCTEOSA-N 1 0 337.427 2.596 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3CC[NH2+]C[C@@H]3O)n2)cc1 ZINC001247757908 1314835456 /nfs/dbraw/zinc/83/54/56/1314835456.db2.gz UFUUVWLLDLLCRK-SJORKVTESA-N 1 0 338.411 2.582 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(C[C@@H]3COCC[NH2+]3)n2)cc1 ZINC001248138653 1314894614 /nfs/dbraw/zinc/89/46/14/1314894614.db2.gz RJYVGAHALXFAIK-MRXNPFEDSA-N 1 0 338.411 2.675 20 10 EFCDRO C[NH+](C)CCCOc1ccc(N(CCO)c2ccc(N)cc2)cc1 ZINC001248414155 1314933416 /nfs/dbraw/zinc/93/34/16/1314933416.db2.gz VTFBARIOUOOIQW-UHFFFAOYSA-N 1 0 329.444 2.730 20 10 EFCDRO CC(C)(C)c1cc(O)c(C[NH+]2CCC(NC(N)=O)CC2)cc1Cl ZINC001248880752 1314990657 /nfs/dbraw/zinc/99/06/57/1314990657.db2.gz MHKDQCDGSGJDOF-UHFFFAOYSA-N 1 0 339.867 2.976 20 10 EFCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CCOC[C@@](C)(O)C2)cc1Cl ZINC001248881491 1314992006 /nfs/dbraw/zinc/99/20/06/1314992006.db2.gz XKXRBZOOKUNPQE-KRWDZBQOSA-N 1 0 327.852 2.926 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c(O)c1 ZINC001249201255 1315033154 /nfs/dbraw/zinc/03/31/54/1315033154.db2.gz MAOCTBDCYBDQOQ-QGZVFWFLSA-N 1 0 326.396 2.840 20 10 EFCDRO COC(=O)Cc1ccc(C[N@H+](C)CCOc2ccccc2)c(O)c1 ZINC001249201300 1315033252 /nfs/dbraw/zinc/03/32/52/1315033252.db2.gz NHWISNBYHYPINN-UHFFFAOYSA-N 1 0 329.396 2.619 20 10 EFCDRO COC(=O)Cc1ccc(C[N@H+](C)Cc2ccccc2OC)c(O)c1 ZINC001249201318 1315033266 /nfs/dbraw/zinc/03/32/66/1315033266.db2.gz OBKVMHORYZYNGU-UHFFFAOYSA-N 1 0 329.396 2.748 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCc3c(F)cccc3C2)c(O)c1 ZINC001249215285 1315033582 /nfs/dbraw/zinc/03/35/82/1315033582.db2.gz ZIJDQCDBVWCCPV-UHFFFAOYSA-N 1 0 329.371 2.805 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)C23CCCC3)c(O)c1 ZINC001249218677 1315034076 /nfs/dbraw/zinc/03/40/76/1315034076.db2.gz ZLYMYJAUBOJWAX-CQSZACIVSA-N 1 0 345.439 2.831 20 10 EFCDRO COC(=O)Cc1ccc(C[N@H+](C)CCc2ccccc2F)c(O)c1 ZINC001249214302 1315034111 /nfs/dbraw/zinc/03/41/11/1315034111.db2.gz JTINONMRIVVDLM-UHFFFAOYSA-N 1 0 331.387 2.921 20 10 EFCDRO CC(=O)N1CCC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249223998 1315034476 /nfs/dbraw/zinc/03/44/76/1315034476.db2.gz QLFMDZIWBXNNMH-UHFFFAOYSA-N 1 0 330.428 2.631 20 10 EFCDRO COC[C@]12COC[C@H]1C[N@H+](Cc1ccc3c(c1O)C=CC(C)(C)O3)C2 ZINC001249237320 1315037433 /nfs/dbraw/zinc/03/74/33/1315037433.db2.gz BSPMJBPOJIOLKS-FOIQADDNSA-N 1 0 345.439 2.671 20 10 EFCDRO CC(=O)N1CCC2(C[NH+](Cc3ccc4c(c3O)C=CC(C)(C)O4)C2)C1 ZINC001249244963 1315037979 /nfs/dbraw/zinc/03/79/79/1315037979.db2.gz RHMJTDGELRIFBP-UHFFFAOYSA-N 1 0 342.439 2.631 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000038635168 1315039658 /nfs/dbraw/zinc/03/96/58/1315039658.db2.gz KAHBZXYSCBQCQS-LJQANCHMSA-N 1 0 336.439 2.657 20 10 EFCDRO Cn1ncc2c1CN(Cc1ccc3c(c1O)C=CC(C)(C)O3)CC2 ZINC001249252650 1315039817 /nfs/dbraw/zinc/03/98/17/1315039817.db2.gz PFBOAIWIMBSLIO-UHFFFAOYSA-N 1 0 325.412 2.868 20 10 EFCDRO CC[N@H+](CCN1CCOCC1)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252164 1315039921 /nfs/dbraw/zinc/03/99/21/1315039921.db2.gz HIJHHOPGUQDWOI-UHFFFAOYSA-N 1 0 346.471 2.731 20 10 EFCDRO COCc1cccc(-c2noc(C[C@@H]([NH3+])c3ccccc3O)n2)c1 ZINC001249338842 1315056076 /nfs/dbraw/zinc/05/60/76/1315056076.db2.gz FQNKNKJPLCZLPO-OAHLLOKOSA-N 1 0 325.368 2.831 20 10 EFCDRO [NH3+][C@H](Cc1nc(-c2ccc(-n3cccn3)cc2)no1)c1ccccc1O ZINC001249339075 1315056548 /nfs/dbraw/zinc/05/65/48/1315056548.db2.gz HPSOMSAFSMBFBT-MRXNPFEDSA-N 1 0 347.378 2.870 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3CCC[NH2+]C[C@@H]3F)ccc21 ZINC001217952258 1315124846 /nfs/dbraw/zinc/12/48/46/1315124846.db2.gz VVUSHTPTUDFNEH-ZWKOTPCHSA-N 1 0 339.366 2.931 20 10 EFCDRO C[NH2+][C@H]1C[C@@H](Oc2c(C)c(O)cc3c2C(=O)c2ccccc2C3=O)C1 ZINC001217957913 1315125267 /nfs/dbraw/zinc/12/52/67/1315125267.db2.gz WSPIJDCSVANJQK-TXEJJXNPSA-N 1 0 337.375 2.605 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CCCC[NH2+]C3)ccc(O)c21 ZINC001217970265 1315126520 /nfs/dbraw/zinc/12/65/20/1315126520.db2.gz KDJWKNLZQRLZBR-GFCCVEGCSA-N 1 0 337.375 2.689 20 10 EFCDRO O=C(c1ccccc1)c1ccc(O)c(O)c1O[C@H]1CCCC[NH2+]C1 ZINC001217970260 1315126772 /nfs/dbraw/zinc/12/67/72/1315126772.db2.gz DNFDHXBLRGSKAQ-AWEZNQCLSA-N 1 0 327.380 2.850 20 10 EFCDRO O=C(c1ccccc1)c1ccc(O)c(O)c1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217978597 1315128585 /nfs/dbraw/zinc/12/85/85/1315128585.db2.gz QQPVBUNOJFVYOH-GOEBONIOSA-N 1 0 345.370 2.798 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3CC[NH2+]CC[C@@H]3F)ccc21 ZINC001218027460 1315136353 /nfs/dbraw/zinc/13/63/53/1315136353.db2.gz ZILYOOSKWOTGLZ-ZWKOTPCHSA-N 1 0 339.366 2.931 20 10 EFCDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001218045881 1315139043 /nfs/dbraw/zinc/13/90/43/1315139043.db2.gz QCHDYDFNXDBVSD-LJQANCHMSA-N 1 0 339.395 2.551 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(OC3CC4(C3)CC[NH2+]C4)ccc(O)c21 ZINC001218059883 1315140813 /nfs/dbraw/zinc/14/08/13/1315140813.db2.gz CYXWWVVODRGDPJ-UHFFFAOYSA-N 1 0 349.386 2.689 20 10 EFCDRO C[C@@H]1C[C@H](Oc2c(O)ccc3c2C(=O)c2ccccc2C3=O)CC[NH2+]1 ZINC001218058041 1315140958 /nfs/dbraw/zinc/14/09/58/1315140958.db2.gz VQDKPNXBHZJKKZ-VXGBXAGGSA-N 1 0 337.375 2.687 20 10 EFCDRO C[NH+](C)CCNC(=S)Nc1ccccc1C(=O)c1ccc(F)cc1 ZINC001249822908 1315142058 /nfs/dbraw/zinc/14/20/58/1315142058.db2.gz JMLSWXLGZKVZCS-UHFFFAOYSA-N 1 0 345.443 2.905 20 10 EFCDRO C[NH+](C)CCNC(=S)Nc1cccc2c1C(=O)c1ccccc1-2 ZINC001249841248 1315145623 /nfs/dbraw/zinc/14/56/23/1315145623.db2.gz OQMDXXLUHJTWON-UHFFFAOYSA-N 1 0 325.437 2.746 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3CC[C@@]34CC[NH2+]C4)ccc(O)c21 ZINC001218119221 1315151702 /nfs/dbraw/zinc/15/17/02/1315151702.db2.gz RMRNCWQIWOKQRB-KKSFZXQISA-N 1 0 349.386 2.689 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CC[C@@]34CC[NH2+]C4)cccc21 ZINC001218121442 1315151979 /nfs/dbraw/zinc/15/19/79/1315151979.db2.gz ZIFNRMLKPKRZSR-UTKZUKDTSA-N 1 0 333.387 2.983 20 10 EFCDRO O=C1c2cccc(O[C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)c2C(=O)c2cccc(O)c21 ZINC001218185897 1315161340 /nfs/dbraw/zinc/16/13/40/1315161340.db2.gz JIBFLNHMBZLWBS-CLLJXQQHSA-N 1 0 349.386 2.829 20 10 EFCDRO CC(C)C[C@H](Oc1ccc(N2CC[NH2+]CC2)cc1)C(=O)OC(C)C ZINC001218216327 1315165445 /nfs/dbraw/zinc/16/54/45/1315165445.db2.gz YFEPVICAYIGQHN-SFHVURJKSA-N 1 0 334.460 2.841 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3C[C@H]4CC[NH2+][C@@H]4C3)ccc21 ZINC001218248173 1315170301 /nfs/dbraw/zinc/17/03/01/1315170301.db2.gz DMAQYEOBNZRARQ-BBEGDGIKSA-N 1 0 333.387 2.981 20 10 EFCDRO Cc1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c(O)cc1Br ZINC001250128944 1315176929 /nfs/dbraw/zinc/17/69/29/1315176929.db2.gz QUXAMGFVORLDDL-CYBMUJFWSA-N 1 0 325.250 2.743 20 10 EFCDRO Cc1cc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c(O)cc1Br ZINC001250133712 1315177546 /nfs/dbraw/zinc/17/75/46/1315177546.db2.gz QNRFCDRQGOIITE-SMDDNHRTSA-N 1 0 325.250 2.599 20 10 EFCDRO Cc1cc(CN2CCc3c(ncn3C)C2)c(O)cc1Br ZINC001250133507 1315177652 /nfs/dbraw/zinc/17/76/52/1315177652.db2.gz NARRZJRIJZSGRM-UHFFFAOYSA-N 1 0 336.233 2.755 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3C[NH2+]CCC34CC4)cccc21 ZINC001218406175 1315191372 /nfs/dbraw/zinc/19/13/72/1315191372.db2.gz TVCLHVCZPJLXTK-QGZVFWFLSA-N 1 0 333.387 2.983 20 10 EFCDRO C[C@H]1C[NH2+]CC[C@H]1Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001218418457 1315193265 /nfs/dbraw/zinc/19/32/65/1315193265.db2.gz ZJZWHSFMIGDWEA-XHDPSFHLSA-N 1 0 337.375 2.544 20 10 EFCDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1c(O)ccc2c1C(=O)c1ccccc1C2=O ZINC001218421378 1315193326 /nfs/dbraw/zinc/19/33/26/1315193326.db2.gz WBQBNJIFQIOWTP-BZNIZROVSA-N 1 0 337.375 2.544 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CC[C@@H]4C[NH2+]C[C@H]34)ccc(O)c21 ZINC001218461360 1315200333 /nfs/dbraw/zinc/20/03/33/1315200333.db2.gz RDQXRXQAGAAAIX-DIOULYMOSA-N 1 0 349.386 2.544 20 10 EFCDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1c(O)c(O)ccc1C(=O)c1ccccc1 ZINC001218480913 1315202995 /nfs/dbraw/zinc/20/29/95/1315202995.db2.gz JDDRZVXKPOAJMH-WBMJQRKESA-N 1 0 327.380 2.706 20 10 EFCDRO Cc1c(O)cc2c(c1O[C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)C(=O)c1ccccc1C2=O ZINC001218480040 1315203055 /nfs/dbraw/zinc/20/30/55/1315203055.db2.gz YPUZKCSKZZGDGJ-UXEPBGEESA-N 1 0 349.386 2.748 20 10 EFCDRO C[C@@H]1CC[NH2+][C@H](C(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)C1 ZINC001218582196 1315217768 /nfs/dbraw/zinc/21/77/68/1315217768.db2.gz VMBKTYCZAZZGAW-BBACIVHUSA-N 1 0 338.415 2.993 20 10 EFCDRO N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC001218582732 1315218022 /nfs/dbraw/zinc/21/80/22/1315218022.db2.gz ZMTAFWNEQJGFBO-RRPLLKISSA-N 1 0 338.415 2.995 20 10 EFCDRO C[C@H]1CC[NH2+][C@@H](C(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)C1 ZINC001218582199 1315218197 /nfs/dbraw/zinc/21/81/97/1315218197.db2.gz VMBKTYCZAZZGAW-MALGZHFESA-N 1 0 338.415 2.993 20 10 EFCDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001218581470 1315218221 /nfs/dbraw/zinc/21/82/21/1315218221.db2.gz KVRKTJWMLONKSC-YFYTVSLWSA-N 1 0 338.415 2.993 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)Nc2cncc(C[NH3+])c2)c1 ZINC001218705475 1315232670 /nfs/dbraw/zinc/23/26/70/1315232670.db2.gz QKNFQKGGKBFCAC-UHFFFAOYSA-N 1 0 336.395 2.906 20 10 EFCDRO CC(C)(C)OC[C@H]([NH3+])C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001218957875 1315264796 /nfs/dbraw/zinc/26/47/96/1315264796.db2.gz WOFNNINUXJLMHR-SFHVURJKSA-N 1 0 341.455 2.944 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H](O)COc2cccc(F)c2)cc1 ZINC001250806248 1315269104 /nfs/dbraw/zinc/26/91/04/1315269104.db2.gz NPOKPDORLKLMQF-GOSISDBHSA-N 1 0 332.419 2.763 20 10 EFCDRO C[C@H]1CC[C@H](NC(=O)c2csc(-c3ccc(N(C)C)cc3)n2)C[NH2+]1 ZINC001219589551 1315327729 /nfs/dbraw/zinc/32/77/29/1315327729.db2.gz WVTUKTIBISILGZ-JSGCOSHPSA-N 1 0 344.484 2.746 20 10 EFCDRO O=C(C[C@H]1CCC[NH2+]C1)NCc1cc(Cl)c2cccnc2c1O ZINC001220212620 1315385347 /nfs/dbraw/zinc/38/53/47/1315385347.db2.gz QJTGQFSBNHFLAU-LLVKDONJSA-N 1 0 333.819 2.600 20 10 EFCDRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2cc(Cl)c3cccnc3c2O)C1 ZINC001220212727 1315385719 /nfs/dbraw/zinc/38/57/19/1315385719.db2.gz UGBHUJUHOJPYCK-QMTHXVAHSA-N 1 0 333.819 2.598 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(F)cc2)cc1 ZINC001251933077 1315389551 /nfs/dbraw/zinc/38/95/51/1315389551.db2.gz UOQXGYINBRCOJS-GOSISDBHSA-N 1 0 332.419 2.763 20 10 EFCDRO CC(C)c1ccc(C[NH+]2CC3(CN(Cc4cn[nH]c4)C3)C2)c(O)c1 ZINC001276814020 1315423718 /nfs/dbraw/zinc/42/37/18/1315423718.db2.gz ATZZCMCMTFWLPW-UHFFFAOYSA-N 1 0 326.444 2.557 20 10 EFCDRO CC[C@@H](C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039060596 1315434050 /nfs/dbraw/zinc/43/40/50/1315434050.db2.gz LXEGPYOEYWTOBR-DOMZBBRYSA-N 1 0 331.420 2.699 20 10 EFCDRO CCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2ccc[nH]2)c(O)c1 ZINC001276815286 1315441601 /nfs/dbraw/zinc/44/16/01/1315441601.db2.gz QPLZKGGKCQNTMV-HDICACEKSA-N 1 0 341.455 2.968 20 10 EFCDRO Cc1cc(C)c(CNC(=O)[C@H]([NH3+])Cc2ccnc3ccccc23)c(O)c1 ZINC001220826108 1315454541 /nfs/dbraw/zinc/45/45/41/1315454541.db2.gz ZURKSLQWMQBZME-GOSISDBHSA-N 1 0 349.434 2.743 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)COCc1ccco1 ZINC001252654529 1315482295 /nfs/dbraw/zinc/48/22/95/1315482295.db2.gz XBIRICGCTIYZSQ-LJQANCHMSA-N 1 0 344.455 2.937 20 10 EFCDRO COc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC001252736526 1315497632 /nfs/dbraw/zinc/49/76/32/1315497632.db2.gz HEABQRCFBXPIEW-MAUKXSAKSA-N 1 0 344.455 2.852 20 10 EFCDRO CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(O)cc2O)cc1 ZINC001252765001 1315503405 /nfs/dbraw/zinc/50/34/05/1315503405.db2.gz LEICRZIZEWUOPP-KRWDZBQOSA-N 1 0 345.439 2.925 20 10 EFCDRO CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]Cc2cccc(O)c2O)cc1 ZINC001252769109 1315504584 /nfs/dbraw/zinc/50/45/84/1315504584.db2.gz LTAJHXGSYXFKJA-MRXNPFEDSA-N 1 0 345.439 2.925 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000827007753 1315578433 /nfs/dbraw/zinc/57/84/33/1315578433.db2.gz AVICICCFZKIOLU-QFIPXVFZSA-N 1 0 349.478 2.834 20 10 EFCDRO C[C@H]([NH2+]C[C@](C)(O)C(=O)OCc1ccccc1)c1ccccc1O ZINC001253652851 1315624152 /nfs/dbraw/zinc/62/41/52/1315624152.db2.gz FWAJOGUAQGBBIC-LIRRHRJNSA-N 1 0 329.396 2.537 20 10 EFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C[C@@H](O)C(=O)OC(C)(C)C ZINC001253713828 1315630775 /nfs/dbraw/zinc/63/07/75/1315630775.db2.gz KNQNXFWJGYBYGD-RHSMWYFYSA-N 1 0 349.471 2.925 20 10 EFCDRO Oc1ccc([C@@H](O)C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1O ZINC001254608828 1315731122 /nfs/dbraw/zinc/73/11/22/1315731122.db2.gz CKJBXJWRVDIUMX-IBGZPJMESA-N 1 0 346.402 2.529 20 10 EFCDRO Oc1cc(O)c(CC[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1O ZINC001254613722 1315731808 /nfs/dbraw/zinc/73/18/08/1315731808.db2.gz GJUXXEJXMXWQAT-UHFFFAOYSA-N 1 0 346.402 2.744 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CC2CCN(CC2)C1 ZINC001254842280 1315748124 /nfs/dbraw/zinc/74/81/24/1315748124.db2.gz FASVRUGKVFGNEV-CQSZACIVSA-N 1 0 325.250 2.729 20 10 EFCDRO CCOc1ccc(N2CCN([C@@H]3CC4CC[NH+](CC4)C3)CC2)cc1 ZINC001254867759 1315752916 /nfs/dbraw/zinc/75/29/16/1315752916.db2.gz LMIMYSRTNJIBDE-LJQANCHMSA-N 1 0 329.488 2.692 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254954667 1315764647 /nfs/dbraw/zinc/76/46/47/1315764647.db2.gz TWECFOHSISGYQE-IRXDYDNUSA-N 1 0 328.456 2.713 20 10 EFCDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C2 ZINC001255190735 1315789222 /nfs/dbraw/zinc/78/92/22/1315789222.db2.gz GCTBNJRVCRTYSN-XGWQRUHWSA-N 1 0 331.460 2.994 20 10 EFCDRO CCOC(=O)[C@@H]1CCC[C@@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001255356175 1315808623 /nfs/dbraw/zinc/80/86/23/1315808623.db2.gz HSIWMJXEZADLSC-SJLPKXTDSA-N 1 0 346.471 2.939 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@@H]3CCOC(C)(C)C3)CC2)c(OC)c1 ZINC001255551888 1315839827 /nfs/dbraw/zinc/83/98/27/1315839827.db2.gz QPDPTLKYHDWHMI-OAHLLOKOSA-N 1 0 334.460 2.783 20 10 EFCDRO COc1ccc(N2CCN(C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001255674193 1315856053 /nfs/dbraw/zinc/85/60/53/1315856053.db2.gz MSAAXQVGGMDIIR-DFNIBXOVSA-N 1 0 329.488 2.833 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)CCC3CC3)CCO2)cc1C ZINC001051500266 1315869667 /nfs/dbraw/zinc/86/96/67/1315869667.db2.gz QELVDRSQNGFFNO-SFHVURJKSA-N 1 0 346.471 2.511 20 10 EFCDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)CC1CCOCC1 ZINC001255909455 1315879774 /nfs/dbraw/zinc/87/97/74/1315879774.db2.gz OPRYTMISXYXZAQ-LJQANCHMSA-N 1 0 332.488 2.802 20 10 EFCDRO OC[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)CC1CCOCC1 ZINC001255909453 1315879899 /nfs/dbraw/zinc/87/98/99/1315879899.db2.gz OPRYTMISXYXZAQ-IBGZPJMESA-N 1 0 332.488 2.802 20 10 EFCDRO CCC1(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001051810465 1315885574 /nfs/dbraw/zinc/88/55/74/1315885574.db2.gz RGRUMIIIXBPACT-KRWDZBQOSA-N 1 0 346.471 2.511 20 10 EFCDRO CCc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)cc[nH+]1 ZINC000827420126 1315981167 /nfs/dbraw/zinc/98/11/67/1315981167.db2.gz KOVYLXRFFUOJTM-UHFFFAOYSA-N 1 0 329.419 2.778 20 10 EFCDRO C[C@@H](Cc1ccncc1)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001256727758 1315985910 /nfs/dbraw/zinc/98/59/10/1315985910.db2.gz DQCXTGJWAUEQPR-INIZCTEOSA-N 1 0 325.456 2.972 20 10 EFCDRO O=C(C[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(O)c(O)c1 ZINC001256792329 1315992051 /nfs/dbraw/zinc/99/20/51/1315992051.db2.gz IXVYAPYSRAMGQI-DNVCBOLYSA-N 1 0 327.380 2.790 20 10 EFCDRO CC(C)NC(=O)NCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000827719200 1316012477 /nfs/dbraw/zinc/01/24/77/1316012477.db2.gz GLNAZRBNEKIPEX-UHFFFAOYSA-N 1 0 332.492 2.816 20 10 EFCDRO COC(=O)CC1CCC([NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC001256982208 1316017745 /nfs/dbraw/zinc/01/77/45/1316017745.db2.gz QZOXDEZXHABTKB-UHFFFAOYSA-N 1 0 346.471 2.939 20 10 EFCDRO CCOC(=O)[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001257062226 1316027661 /nfs/dbraw/zinc/02/76/61/1316027661.db2.gz KWKTVEGIMKMVGJ-MJGOQNOKSA-N 1 0 346.471 2.687 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@@H]3C[C@@H](C)O[C@@H](C)C3)CC2)c(OC)c1 ZINC001257106328 1316034767 /nfs/dbraw/zinc/03/47/67/1316034767.db2.gz OUNDNOAVLZZCTI-MUJYYYPQSA-N 1 0 334.460 2.782 20 10 EFCDRO CCOC(=O)c1ccc(C[C@H](C)[NH2+]Cc2cccc(O)c2O)cc1 ZINC001257150851 1316039832 /nfs/dbraw/zinc/03/98/32/1316039832.db2.gz HETAJVVUDOCVQS-ZDUSSCGKSA-N 1 0 329.396 2.995 20 10 EFCDRO CCOC(=O)c1ccc(C[C@@H](C)[NH2+]Cc2ccc(O)cc2O)cc1 ZINC001257156797 1316040889 /nfs/dbraw/zinc/04/08/89/1316040889.db2.gz WFVRWLIMFYCZAQ-CYBMUJFWSA-N 1 0 329.396 2.995 20 10 EFCDRO COc1ccc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c(C)c1 ZINC001257224288 1316049990 /nfs/dbraw/zinc/04/99/90/1316049990.db2.gz WLMJNJVCPKZHSK-UHFFFAOYSA-N 1 0 331.504 2.998 20 10 EFCDRO CCOC(=O)CC[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC001258480932 1316154542 /nfs/dbraw/zinc/15/45/42/1316154542.db2.gz AVTCBTVVPNODSV-JTQLQIEISA-N 1 0 330.222 2.976 20 10 EFCDRO COc1ccc(CC[C@@H](C)[NH2+]C[C@H](O)c2ccc(O)c(O)c2)cc1 ZINC001258389272 1316147543 /nfs/dbraw/zinc/14/75/43/1316147543.db2.gz RMBBIRDQWPYBEV-YJYMSZOUSA-N 1 0 331.412 2.751 20 10 EFCDRO CCOC(=O)CC[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001258495869 1316156015 /nfs/dbraw/zinc/15/60/15/1316156015.db2.gz MJPBSLLOOHTZJH-MRXNPFEDSA-N 1 0 334.460 2.687 20 10 EFCDRO CCC[N@@H+]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1C ZINC001072102649 1316357675 /nfs/dbraw/zinc/35/76/75/1316357675.db2.gz QCHVQIPGZVAAGJ-SWLSCSKDSA-N 1 0 331.420 2.842 20 10 EFCDRO C[C@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[N@@H+]1CCCF ZINC001072102270 1316357985 /nfs/dbraw/zinc/35/79/85/1316357985.db2.gz NXGTWICFYUMUOM-WFASDCNBSA-N 1 0 349.410 2.791 20 10 EFCDRO COc1ccc(C[NH2+]C2CN(C(=O)OCc3ccccc3)C2)c(O)c1 ZINC000397292023 1316397707 /nfs/dbraw/zinc/39/77/07/1316397707.db2.gz XQPMJGBAFIXXMB-UHFFFAOYSA-N 1 0 342.395 2.511 20 10 EFCDRO CN(C)C(=O)OC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001261244944 1316398704 /nfs/dbraw/zinc/39/87/04/1316398704.db2.gz JMFYKGAJFOAOEB-UHFFFAOYSA-N 1 0 331.460 2.949 20 10 EFCDRO Cc1ccc(CC[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)nc1 ZINC001261278028 1316401262 /nfs/dbraw/zinc/40/12/62/1316401262.db2.gz UGWUNLQVHCCOSO-UHFFFAOYSA-N 1 0 342.462 2.613 20 10 EFCDRO C[C@@H](NC(=O)N1CCCC2(CC[NH2+]CC2)C1)c1ccc(N(C)C)cc1 ZINC001261375948 1316407827 /nfs/dbraw/zinc/40/78/27/1316407827.db2.gz DIIUOTABSCRVBS-MRXNPFEDSA-N 1 0 344.503 2.989 20 10 EFCDRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(N)cc1)c1cccc(F)c1 ZINC001262560145 1316471852 /nfs/dbraw/zinc/47/18/52/1316471852.db2.gz IEMQPOXUTXNVIY-QGZVFWFLSA-N 1 0 330.407 2.510 20 10 EFCDRO Nc1ccc(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC001262562034 1316472369 /nfs/dbraw/zinc/47/23/69/1316472369.db2.gz NHRKCCFCEZYXDD-LJQANCHMSA-N 1 0 338.455 2.905 20 10 EFCDRO CC(C)CC[NH+]1CCC(CNC(=O)NCc2ccc(N)cc2)CC1 ZINC001262577634 1316473615 /nfs/dbraw/zinc/47/36/15/1316473615.db2.gz UYOFKSWTDURFLV-UHFFFAOYSA-N 1 0 332.492 2.826 20 10 EFCDRO Cc1cc(C(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])c(C)n1-c1ccccn1 ZINC001263239037 1316523651 /nfs/dbraw/zinc/52/36/51/1316523651.db2.gz ZRNKOCFXIWMXSR-OXQOHEQNSA-N 1 0 338.455 2.833 20 10 EFCDRO Cc1cc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)[nH]n1 ZINC001318620355 1328653806 /nfs/dbraw/zinc/65/38/06/1328653806.db2.gz AEGJBCNCOFZOPA-ZIAGYGMSSA-N 1 0 332.423 2.761 20 10 EFCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000732669950 1321723314 /nfs/dbraw/zinc/72/33/14/1321723314.db2.gz TXGAXXUPMIMWTQ-SFHVURJKSA-N 1 0 333.432 2.836 20 10 EFCDRO C[C@H]([NH2+]CCN1CCC(CO)CC1)c1cc2c(cc1O)CCCC2 ZINC001320118350 1329088698 /nfs/dbraw/zinc/08/86/98/1329088698.db2.gz JBBUCCFWQOANNT-HNNXBMFYSA-N 1 0 332.488 2.626 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3cnn(C)c3)C2)c2c1c(F)ccc2O ZINC001320125387 1329090537 /nfs/dbraw/zinc/09/05/37/1329090537.db2.gz RTBMJSBFTIPLGR-TYNCELHUSA-N 1 0 330.407 2.682 20 10 EFCDRO CC(C)CNC(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC001320423735 1329128688 /nfs/dbraw/zinc/12/86/88/1329128688.db2.gz AWXOPFBVTGTFLI-JTQLQIEISA-N 1 0 329.238 2.578 20 10 EFCDRO c1ncn(CC2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)n1 ZINC001320485514 1329142712 /nfs/dbraw/zinc/14/27/12/1329142712.db2.gz FGPPGXRIHQOKLJ-UHFFFAOYSA-N 1 0 325.460 2.791 20 10 EFCDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001320498155 1329146381 /nfs/dbraw/zinc/14/63/81/1329146381.db2.gz SRXGXPWQZQQCFP-GOSISDBHSA-N 1 0 349.494 2.826 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@]3(C)CCCC[C@@H]3C(=O)[O-])cc2)CC1 ZINC000901825007 1324758387 /nfs/dbraw/zinc/75/83/87/1324758387.db2.gz UJEGYBDTGFXIJB-UYAOXDASSA-N 1 0 345.487 2.562 20 10 EFCDRO C[C@H](C[S@@](C)=O)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000753765232 1324796136 /nfs/dbraw/zinc/79/61/36/1324796136.db2.gz XWKSVGVBHOWCFB-GIYNXVAASA-N 1 0 344.908 2.594 20 10 EFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC(=O)NCC(C)C)c1O ZINC001320765309 1329183106 /nfs/dbraw/zinc/18/31/06/1329183106.db2.gz WYQYFQXSNVUYML-LLVKDONJSA-N 1 0 343.265 2.886 20 10 EFCDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001313393914 1325014708 /nfs/dbraw/zinc/01/47/08/1325014708.db2.gz GGZQPXHACCITJL-SFKBXODTSA-N 1 0 344.503 2.699 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001320800373 1329303777 /nfs/dbraw/zinc/30/37/77/1329303777.db2.gz NGNVNXOFSYMHGC-UHFFFAOYSA-N 1 0 349.438 2.996 20 10 EFCDRO C[C@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)c1ccc(N(C)C)cc1 ZINC001320805185 1329304384 /nfs/dbraw/zinc/30/43/84/1329304384.db2.gz RENKNIHGDJODGZ-AWEZNQCLSA-N 1 0 335.411 2.824 20 10 EFCDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC001321068448 1329339156 /nfs/dbraw/zinc/33/91/56/1329339156.db2.gz CQYQRGJANCJHAD-QZTJIDSGSA-N 1 0 332.444 2.595 20 10 EFCDRO Cc1cccc(CC[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)n1 ZINC001321222148 1329359132 /nfs/dbraw/zinc/35/91/32/1329359132.db2.gz ZVXKFETVTLTHCR-UHFFFAOYSA-N 1 0 342.462 2.613 20 10 EFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2CCC(CO)CC2)c1O ZINC001324125682 1329601713 /nfs/dbraw/zinc/60/17/13/1329601713.db2.gz OYRIFUUUBBRJPC-CYBMUJFWSA-N 1 0 326.868 2.709 20 10 EFCDRO Cc1cc(C(=O)NC2CC[NH+](Cc3c(O)cccc3Cl)CC2)no1 ZINC001324732625 1329654590 /nfs/dbraw/zinc/65/45/90/1329654590.db2.gz WSMPLRAXWANZHM-UHFFFAOYSA-N 1 0 349.818 2.736 20 10 EFCDRO CCOc1ccc(N2CC[NH+](CC3(CC(=O)OC)CC3)CC2)cc1 ZINC001325147378 1329673391 /nfs/dbraw/zinc/67/33/91/1329673391.db2.gz WIAPHRFYFJQZQD-UHFFFAOYSA-N 1 0 332.444 2.551 20 10 EFCDRO CN(C)c1ncccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001325601269 1329700246 /nfs/dbraw/zinc/70/02/46/1329700246.db2.gz UXJWSCYWHVPHLN-UHFFFAOYSA-N 1 0 340.471 2.616 20 10 EFCDRO CCOC(=O)c1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)[nH]n1 ZINC001326293776 1329744936 /nfs/dbraw/zinc/74/49/36/1329744936.db2.gz XSOWKQWWUBJOEW-UHFFFAOYSA-N 1 0 342.443 2.817 20 10 EFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@H]([NH3+])C3CCCCC3)C2)cc1 ZINC001326315731 1329746720 /nfs/dbraw/zinc/74/67/20/1329746720.db2.gz BNDBGCOSJHGTFR-HNAYVOBHSA-N 1 0 345.487 2.545 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cccnc2N(C)C)cc1 ZINC001327306176 1330455854 /nfs/dbraw/zinc/45/58/54/1330455854.db2.gz VMDDMRWUDDPGJQ-UHFFFAOYSA-N 1 0 328.460 2.724 20 10 EFCDRO CCOC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001328219124 1330569690 /nfs/dbraw/zinc/56/96/90/1330569690.db2.gz FBRFEWZHBDYGBR-GOSISDBHSA-N 1 0 349.494 2.969 20 10 EFCDRO CC(C)c1noc(CC[NH2+]Cc2c(O)cccc2Br)n1 ZINC001328921764 1330646522 /nfs/dbraw/zinc/64/65/22/1330646522.db2.gz LBLSHHLTWIPTFS-UHFFFAOYSA-N 1 0 340.221 2.993 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2c(c1)C[NH2+]CC2 ZINC001329555631 1330718412 /nfs/dbraw/zinc/71/84/12/1330718412.db2.gz VKNKXGMNTZXYJU-UHFFFAOYSA-N 1 0 335.451 2.863 20 10 EFCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(-c3cnn(C)c3)cc2)cc1 ZINC001331418840 1330835382 /nfs/dbraw/zinc/83/53/82/1330835382.db2.gz LLGKHTAYWSZCLF-NRFANRHFSA-N 1 0 349.482 2.943 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CSCc2cccs2)cc1 ZINC001332157631 1330930215 /nfs/dbraw/zinc/93/02/15/1330930215.db2.gz PTZYNIHTYOPUSQ-MRXNPFEDSA-N 1 0 349.525 2.864 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1O ZINC001332691130 1331002618 /nfs/dbraw/zinc/00/26/18/1331002618.db2.gz JKZVGNVKHMSRNN-IAGOWNOFSA-N 1 0 345.443 2.531 20 10 EFCDRO CCOc1ccc(CN2CC[NH+](Cc3ccc(N)cc3)CC2)cc1 ZINC001334775304 1331305065 /nfs/dbraw/zinc/30/50/65/1331305065.db2.gz VMQGTKLNLJBAPC-UHFFFAOYSA-N 1 0 325.456 2.985 20 10 EFCDRO Cc1ccc(CNC(=O)NCc2ccc(N)cc2)c(N2CCCC2)n1 ZINC001335557637 1331373336 /nfs/dbraw/zinc/37/33/36/1331373336.db2.gz QYNVTZDQIZFZTL-UHFFFAOYSA-N 1 0 339.443 2.572 20 10 EFCDRO Nc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC001335559624 1331373585 /nfs/dbraw/zinc/37/35/85/1331373585.db2.gz JNOGPZWBLSZKLH-GOSISDBHSA-N 1 0 330.476 2.865 20 10 EFCDRO Nc1ccc(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC001335665237 1331388380 /nfs/dbraw/zinc/38/83/80/1331388380.db2.gz HDOWEHAORHMMKC-UHFFFAOYSA-N 1 0 330.476 2.723 20 10 EFCDRO Nc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC001335916228 1331416431 /nfs/dbraw/zinc/41/64/31/1331416431.db2.gz GNRHWLZQDWUEOM-UHFFFAOYSA-N 1 0 338.455 2.864 20 10 EFCDRO Cc1csc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001336086217 1331433839 /nfs/dbraw/zinc/43/38/39/1331433839.db2.gz YRGRPMSGLXWUNM-HNNXBMFYSA-N 1 0 332.473 2.550 20 10 EFCDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001336698628 1331493908 /nfs/dbraw/zinc/49/39/08/1331493908.db2.gz SNPJOCUIEBNLIS-ACJLOTCBSA-N 1 0 337.416 2.621 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=S)NCC2CCC2)[NH+](C)C)cc1 ZINC001336919171 1331517724 /nfs/dbraw/zinc/51/77/24/1331517724.db2.gz JJLUTKRFRMMDJC-KRWDZBQOSA-N 1 0 334.533 2.620 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=S)NCC2CCC2)[NH+](C)C)cc1 ZINC001336919172 1331517765 /nfs/dbraw/zinc/51/77/65/1331517765.db2.gz JJLUTKRFRMMDJC-QGZVFWFLSA-N 1 0 334.533 2.620 20 10 EFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)cc1 ZINC001337294680 1331558342 /nfs/dbraw/zinc/55/83/42/1331558342.db2.gz ROJIBSUGJAFIDH-RYUDHWBXSA-N 1 0 331.382 2.860 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCOC(C)(C)C2)[NH+](C)C)cc1 ZINC001337459713 1331577050 /nfs/dbraw/zinc/57/70/50/1331577050.db2.gz RPOVJKDWOYJERX-AEFFLSMTSA-N 1 0 347.503 2.677 20 10 EFCDRO CCn1c(C2SC=CC2=O)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001340901703 1332219411 /nfs/dbraw/zinc/21/94/11/1332219411.db2.gz CUAXDXFXWHMZGR-CYBMUJFWSA-N 1 0 349.504 2.900 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)c2coc([C@@H]3CCC[NH2+]3)n2)cc1 ZINC001341658097 1332274666 /nfs/dbraw/zinc/27/46/66/1332274666.db2.gz DTDPTNMUHTXOMF-INIZCTEOSA-N 1 0 342.443 2.875 20 10 EFCDRO CC[NH+](CC)CC[C@@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC001342707442 1332335423 /nfs/dbraw/zinc/33/54/23/1332335423.db2.gz NJPUHHZDDYHHQJ-ZIAGYGMSSA-N 1 0 337.464 2.881 20 10 EFCDRO C[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1F ZINC001345811382 1332575226 /nfs/dbraw/zinc/57/52/26/1332575226.db2.gz HOQVMYTXHAFFCZ-KPZWWZAWSA-N 1 0 347.409 2.951 20 10 EFCDRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCc3ccc(N(C)C)c(F)c3)C[N@@H+]2C1 ZINC001346375496 1332631855 /nfs/dbraw/zinc/63/18/55/1332631855.db2.gz RMKCHDWVLLQJDO-KBMXLJTQSA-N 1 0 333.451 2.628 20 10 EFCDRO CCc1cccc(C[NH+]2CCC(NC(=O)c3cc(C)on3)CC2)c1O ZINC001349877342 1333008334 /nfs/dbraw/zinc/00/83/34/1333008334.db2.gz FQBZOQJJPJLPOA-UHFFFAOYSA-N 1 0 343.427 2.645 20 10 EFCDRO O=C(NCc1cccc(O)c1O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001350299453 1333060717 /nfs/dbraw/zinc/06/07/17/1333060717.db2.gz AIUCRKOEZRPYIP-QGZVFWFLSA-N 1 0 340.423 2.626 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC001350328525 1333065272 /nfs/dbraw/zinc/06/52/72/1333065272.db2.gz WDKLIFIIAGHJRA-NRFANRHFSA-N 1 0 337.467 2.690 20 10 EFCDRO CCn1cccc(C[NH2+]Cc2c(O)cccc2Br)c1=O ZINC001351331569 1333212882 /nfs/dbraw/zinc/21/28/82/1333212882.db2.gz XPQPHDPOJBZQJJ-UHFFFAOYSA-N 1 0 337.217 2.626 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)CC[C@@H](C)OC)C2)cc1C ZINC001100266623 1334046848 /nfs/dbraw/zinc/04/68/48/1334046848.db2.gz OXDJPBOEKLMYCV-FAEJEUNOSA-N 1 0 348.487 2.803 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)cc2)CC1 ZINC000848413245 1334712339 /nfs/dbraw/zinc/71/23/39/1334712339.db2.gz AWDQTEJVLWAAPQ-FPOVZHCZSA-N 1 0 341.499 2.929 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1conc1C(C)(C)[NH3+] ZINC000848427439 1334717645 /nfs/dbraw/zinc/71/76/45/1334717645.db2.gz NCYLTELYCVRPIN-UHFFFAOYSA-N 1 0 330.432 2.597 20 10 EFCDRO CN1CCCc2cc(C[NH2+]C3CCN(C[C@H]4CCCO4)CC3)ccc21 ZINC000848525632 1334775113 /nfs/dbraw/zinc/77/51/13/1334775113.db2.gz OQPFIRUVKYSYGG-HXUWFJFHSA-N 1 0 343.515 2.802 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCCn2ccnc21)c1ccc(N2CCOCC2)cc1 ZINC000848526783 1334775565 /nfs/dbraw/zinc/77/55/65/1334775565.db2.gz HOUZBQDTFOUUOG-MAUKXSAKSA-N 1 0 326.444 2.905 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCCn4ccnc43)C2)cc1 ZINC000848553087 1334791149 /nfs/dbraw/zinc/79/11/49/1334791149.db2.gz IHNVQSJWYHKMNQ-MAUKXSAKSA-N 1 0 326.444 2.843 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000848552947 1334791162 /nfs/dbraw/zinc/79/11/62/1334791162.db2.gz GRABUTANGHNDJL-LAUBAEHRSA-N 1 0 345.531 2.835 20 10 EFCDRO CCOc1cccc(C[NH2+]Cc2ccccc2CC(=O)OC)c1O ZINC000848578895 1334805853 /nfs/dbraw/zinc/80/58/53/1334805853.db2.gz OFZYJNMZMUXTNK-UHFFFAOYSA-N 1 0 329.396 2.796 20 10 EFCDRO CCc1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1O ZINC000848885310 1334961126 /nfs/dbraw/zinc/96/11/26/1334961126.db2.gz IQEKUWDQXRKFRM-INIZCTEOSA-N 1 0 326.444 2.872 20 10 EFCDRO CCc1nsc(N2CC[NH+](Cc3cccc(CC)c3O)CC2)n1 ZINC000848887923 1334962741 /nfs/dbraw/zinc/96/27/41/1334962741.db2.gz IHINOMOQUXIGII-UHFFFAOYSA-N 1 0 332.473 2.691 20 10 EFCDRO CCc1cccc(C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c1O ZINC000848899810 1334970970 /nfs/dbraw/zinc/97/09/70/1334970970.db2.gz TZCTZCDQIVACPX-ZDUSSCGKSA-N 1 0 342.403 2.610 20 10 EFCDRO CCc1cccc(C[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)c1O ZINC000848902622 1334973195 /nfs/dbraw/zinc/97/31/95/1334973195.db2.gz QWOAMQCUIXIPSJ-GOSISDBHSA-N 1 0 339.439 2.630 20 10 EFCDRO CCc1cccc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)c1O ZINC000848907081 1334976959 /nfs/dbraw/zinc/97/69/59/1334976959.db2.gz IDHDQAFPZUZICB-KRWDZBQOSA-N 1 0 331.460 2.532 20 10 EFCDRO CCc1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(OC)c(O)c2)c1O ZINC000848911888 1334981598 /nfs/dbraw/zinc/98/15/98/1334981598.db2.gz KHLLWBIXRNCQON-HNNXBMFYSA-N 1 0 345.439 2.610 20 10 EFCDRO CCc1cccc(C[N@H+](CCOC)Cc2c(C)nn(C)c2C)c1O ZINC000848913884 1334982850 /nfs/dbraw/zinc/98/28/50/1334982850.db2.gz AOZXKODRWOLYDR-UHFFFAOYSA-N 1 0 331.460 2.954 20 10 EFCDRO CCc1cccc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)c1O ZINC000848916163 1334983838 /nfs/dbraw/zinc/98/38/38/1334983838.db2.gz DSIPSLNAJKWHGD-KRWDZBQOSA-N 1 0 328.387 2.989 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000848920454 1334986659 /nfs/dbraw/zinc/98/66/59/1334986659.db2.gz GRTGKMCDRWUJAA-GOSISDBHSA-N 1 0 329.488 2.798 20 10 EFCDRO C[C@@H]1CN(c2ccc(CNC(=[NH2+])NC(C)(C)C)cc2F)C[C@@H](C)O1 ZINC000849069184 1335068691 /nfs/dbraw/zinc/06/86/91/1335068691.db2.gz URTXADDJHQXAHG-CHWSQXEVSA-N 1 0 336.455 2.852 20 10 EFCDRO COc1ccc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c(O)c1 ZINC000849094989 1335074867 /nfs/dbraw/zinc/07/48/67/1335074867.db2.gz KFGXMUQUYTXNDC-UHFFFAOYSA-N 1 0 343.383 2.699 20 10 EFCDRO C[C@@H]1CN(c2ccc(CNC(=[NH2+])NC3CCC3)cc2F)C[C@@H](C)O1 ZINC000849111499 1335553929 /nfs/dbraw/zinc/55/39/29/1335553929.db2.gz QHAIKDXERNJLDK-CHWSQXEVSA-N 1 0 334.439 2.606 20 10 EFCDRO COc1c([O-])c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000849350854 1335596725 /nfs/dbraw/zinc/59/67/25/1335596725.db2.gz YUOZTXOEMFHCFS-CQSZACIVSA-N 1 0 349.431 2.521 20 10 EFCDRO Cc1cc([C@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)c(C)o1 ZINC000183813071 1426342177 /nfs/dbraw/zinc/34/21/77/1426342177.db2.gz JFNIOVVBHVASCS-AWEZNQCLSA-N 1 0 329.444 2.929 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@]34C[C@H]3CCC4)C2)cc1C ZINC001020412189 712960484 /nfs/dbraw/zinc/96/04/84/712960484.db2.gz STONYFAZHUBUNS-WOCWXWTJSA-N 1 0 328.456 2.931 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@]3(C)CCO[C@H]3C)C2)cc1C ZINC001020427186 712978841 /nfs/dbraw/zinc/97/88/41/712978841.db2.gz CVHDPXXLNQJFTN-JWWIWJDOSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3csc(C)n3)C2)cc1C ZINC001020507138 713091453 /nfs/dbraw/zinc/09/14/53/713091453.db2.gz KRTNCVYFBOGIPN-SHTZXODSSA-N 1 0 345.468 2.819 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@]34C[C@H]3CCC4)C2)cc1C ZINC000969412226 713091983 /nfs/dbraw/zinc/09/19/83/713091983.db2.gz IZYJSAJQULVTBY-MBOZVWFJSA-N 1 0 328.456 2.884 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccn(C)c3C)C2)cc1C ZINC001020559273 713183289 /nfs/dbraw/zinc/18/32/89/713183289.db2.gz BEPCJBBKCUWBMT-QAQDUYKDSA-N 1 0 341.455 2.701 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC(C)(F)F)C2)cc1C ZINC000969848337 713282323 /nfs/dbraw/zinc/28/23/23/713282323.db2.gz BUXBSXFDNGNLTA-CQSZACIVSA-N 1 0 326.387 2.739 20 10 EFCDRO CCc1oncc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000970140130 713430056 /nfs/dbraw/zinc/43/00/56/713430056.db2.gz PRHJBACUDMMPJB-OAHLLOKOSA-N 1 0 343.427 2.558 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3(C)CCOCC3)C2)cc1C ZINC000970274540 713604500 /nfs/dbraw/zinc/60/45/00/713604500.db2.gz QSTHLTNNADIWFW-QGZVFWFLSA-N 1 0 346.471 2.511 20 10 EFCDRO Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c(O)c1O ZINC000177660236 713893499 /nfs/dbraw/zinc/89/34/99/713893499.db2.gz SOJLVNZIKNIQKB-KRWDZBQOSA-N 1 0 340.423 2.973 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCCS2)[NH+](C)C)cc1 ZINC000891246711 714132614 /nfs/dbraw/zinc/13/26/14/714132614.db2.gz CFTNXFNJLSGVFH-SJORKVTESA-N 1 0 335.517 2.757 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(O)c(F)c2)[NH+](C)C)cc1 ZINC000891246703 714133646 /nfs/dbraw/zinc/13/36/46/714133646.db2.gz CDJXHPWLRCPXFZ-QGZVFWFLSA-N 1 0 345.418 2.630 20 10 EFCDRO CCc1cncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891247897 714134683 /nfs/dbraw/zinc/13/46/83/714134683.db2.gz ISXWOJHEWMKXMB-IBGZPJMESA-N 1 0 340.471 2.743 20 10 EFCDRO CCc1[nH]ccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247396 714135042 /nfs/dbraw/zinc/13/50/42/714135042.db2.gz JUPKNHVLMIIDKS-SFHVURJKSA-N 1 0 328.460 2.676 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ncoc2C2CC2)[NH+](C)C)cc1 ZINC000891247352 714135299 /nfs/dbraw/zinc/13/52/99/714135299.db2.gz IZDAPDHTWAZTDT-MRXNPFEDSA-N 1 0 342.443 2.651 20 10 EFCDRO Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)ns1 ZINC000891247461 714135358 /nfs/dbraw/zinc/13/53/58/714135358.db2.gz HKVDVYCEVDDVIO-MRXNPFEDSA-N 1 0 332.473 2.550 20 10 EFCDRO CCC[C@H](OCC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248255 714137270 /nfs/dbraw/zinc/13/72/70/714137270.db2.gz XFULUQMRSQUZRE-ROUUACIJSA-N 1 0 335.492 2.677 20 10 EFCDRO CCOC1CC(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891249397 714138304 /nfs/dbraw/zinc/13/83/04/714138304.db2.gz SKRBMFAKLOBXGZ-XUJQIHCRSA-N 1 0 347.503 2.677 20 10 EFCDRO COC1CCC(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000891249788 714139153 /nfs/dbraw/zinc/13/91/53/714139153.db2.gz WRHHGSQUMVNADZ-KVZIAJEVSA-N 1 0 347.503 2.677 20 10 EFCDRO CCCc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)no1 ZINC000891249662 714139265 /nfs/dbraw/zinc/13/92/65/714139265.db2.gz RUNLNAIWRBYUHR-GOSISDBHSA-N 1 0 344.459 2.726 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc(C3CC3)no2)[NH+](C)C)cc1 ZINC000891249868 714139478 /nfs/dbraw/zinc/13/94/78/714139478.db2.gz UFEJIZQDIXZLOL-KRWDZBQOSA-N 1 0 342.443 2.651 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCC(F)(F)C2)[NH+](C)C)cc1 ZINC000891249776 714139516 /nfs/dbraw/zinc/13/95/16/714139516.db2.gz WPVJFVJACLZZPO-GOEBONIOSA-N 1 0 339.430 2.907 20 10 EFCDRO Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cnc1F ZINC000891248900 714139824 /nfs/dbraw/zinc/13/98/24/714139824.db2.gz OJTROXUOTVHXMY-QGZVFWFLSA-N 1 0 344.434 2.628 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@]2(C)CC2(F)F)[NH+](C)C)cc1 ZINC000891250611 714140796 /nfs/dbraw/zinc/14/07/96/714140796.db2.gz YFVGXIOVPKKFCF-ZBFHGGJFSA-N 1 0 325.403 2.517 20 10 EFCDRO C[C@@H]1CC[C@@H](CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)O1 ZINC000891251988 714142692 /nfs/dbraw/zinc/14/26/92/714142692.db2.gz JFABHMIGMTXOAU-AYOQOUSVSA-N 1 0 347.503 2.819 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)COC2CCCCC2)[NH+](C)C)cc1 ZINC000891251274 714143766 /nfs/dbraw/zinc/14/37/66/714143766.db2.gz BKGUAHCGYMGJEA-IBGZPJMESA-N 1 0 347.503 2.821 20 10 EFCDRO CC(C)n1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891253121 714146550 /nfs/dbraw/zinc/14/65/50/714146550.db2.gz QWBQVVNTFWDXOI-GOSISDBHSA-N 1 0 343.475 2.563 20 10 EFCDRO C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccco1 ZINC000891253994 714147987 /nfs/dbraw/zinc/14/79/87/714147987.db2.gz VKIRFSMNBJIZBW-PBHICJAKSA-N 1 0 329.444 2.868 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)CCC(F)(F)F)[NH+](C)C)cc1 ZINC000891253844 714148010 /nfs/dbraw/zinc/14/80/10/714148010.db2.gz UUXJCGQCILEUNI-AWEZNQCLSA-N 1 0 331.382 2.814 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccncc2Cl)[NH+](C)C)cc1 ZINC000891254573 714148411 /nfs/dbraw/zinc/14/84/11/714148411.db2.gz ZMLRJDVBNNEKTG-KRWDZBQOSA-N 1 0 346.862 2.834 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)CCc2cscn2)[NH+](C)C)cc1 ZINC000891255114 714149853 /nfs/dbraw/zinc/14/98/53/714149853.db2.gz MVMPRYVTNNGYIN-KRWDZBQOSA-N 1 0 346.500 2.561 20 10 EFCDRO CC(C)c1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)[nH]n1 ZINC000891256531 714150951 /nfs/dbraw/zinc/15/09/51/714150951.db2.gz ZDRDDZOTKZTMHR-GOSISDBHSA-N 1 0 343.475 2.632 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)ccn2)[NH+](C)C)cc1 ZINC000891256411 714151062 /nfs/dbraw/zinc/15/10/62/714151062.db2.gz YHFGTWRMZIHZBV-KRWDZBQOSA-N 1 0 346.862 2.834 20 10 EFCDRO COc1cc(O)c(CN2C[C@@H]([NH+](C)C)Cc3ccccc32)cc1OC ZINC000160472755 714167451 /nfs/dbraw/zinc/16/74/51/714167451.db2.gz JQSFXLOOQRVUJH-INIZCTEOSA-N 1 0 342.439 2.902 20 10 EFCDRO C[C@H](F)CC[NH+]1CC([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970954250 714177328 /nfs/dbraw/zinc/17/73/28/714177328.db2.gz MGEVUBTYPWZEFA-RYUDHWBXSA-N 1 0 349.410 2.647 20 10 EFCDRO CC(C)=CC[NH+]1CC([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970954186 714177350 /nfs/dbraw/zinc/17/73/50/714177350.db2.gz LCSISBRXPSRCLA-ZDUSSCGKSA-N 1 0 343.431 2.865 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)c3ccn[nH]3)C2)cc1C ZINC000980936722 717974786 /nfs/dbraw/zinc/97/47/86/717974786.db2.gz YRWLVIHQJNFMRO-HOTGVXAUSA-N 1 0 342.443 2.558 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)c3ccon3)C2)cc1C ZINC000980941059 717981506 /nfs/dbraw/zinc/98/15/06/717981506.db2.gz QOVMOYLYVRJVNI-HZPDHXFCSA-N 1 0 343.427 2.822 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)c3ccon3)C2)cc1C ZINC000980941060 717981713 /nfs/dbraw/zinc/98/17/13/717981713.db2.gz QOVMOYLYVRJVNI-JKSUJKDBSA-N 1 0 343.427 2.822 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C)n3cccc3)C2)cc1C ZINC001021974863 714623679 /nfs/dbraw/zinc/62/36/79/714623679.db2.gz JTWCGZKLMPJRBV-RYQLBKOJSA-N 1 0 341.455 2.803 20 10 EFCDRO CCc1nc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)co1 ZINC001021997445 714633599 /nfs/dbraw/zinc/63/35/99/714633599.db2.gz YJHJTFMEIIZQDF-GASCZTMLSA-N 1 0 343.427 2.605 20 10 EFCDRO CCN(CC)c1ccc(CN(C)Cc2cnc3n2CCOC3)cc1 ZINC000891528983 714803917 /nfs/dbraw/zinc/80/39/17/714803917.db2.gz RXWPBNKRPFEXIW-UHFFFAOYSA-N 1 0 328.460 2.892 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000085405840 714968079 /nfs/dbraw/zinc/96/80/79/714968079.db2.gz QCNJUTGUNMOCKG-MAUKXSAKSA-N 1 0 332.492 2.543 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3[nH]c(C)cc3C)C2)cc1C ZINC001022293165 714975926 /nfs/dbraw/zinc/97/59/26/714975926.db2.gz GNNNRRSXODLSLK-CALCHBBNSA-N 1 0 341.455 2.999 20 10 EFCDRO COc1ccc(C[N@@H+]2CCCN(c3nccs3)CC2)c(O)c1OC ZINC000891802134 715028248 /nfs/dbraw/zinc/02/82/48/715028248.db2.gz OXXNKDABFPCUEQ-UHFFFAOYSA-N 1 0 349.456 2.578 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)c3cocn3)C2)cc1C ZINC000980971044 718025013 /nfs/dbraw/zinc/02/50/13/718025013.db2.gz AHDWSQQBYCLDRC-HZPDHXFCSA-N 1 0 343.427 2.822 20 10 EFCDRO COc1ccc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c(O)c1OC ZINC000892142407 715272597 /nfs/dbraw/zinc/27/25/97/715272597.db2.gz FGRKLRXLPPVQBB-OAHLLOKOSA-N 1 0 334.460 2.573 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](OC)C(C)C)C2)cc1C ZINC001027037017 715329470 /nfs/dbraw/zinc/32/94/70/715329470.db2.gz MGRKLGWVHPJTPC-PKOBYXMFSA-N 1 0 348.487 2.613 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)C(C)(F)F)C2)cc1C ZINC000980296786 718042721 /nfs/dbraw/zinc/04/27/21/718042721.db2.gz JHJXFMNNRMMQJJ-UKRRQHHQSA-N 1 0 340.414 2.985 20 10 EFCDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](CC=C(C)C)[C@@H](C)C2)cc(OC)n1 ZINC000947497410 715411484 /nfs/dbraw/zinc/41/14/84/715411484.db2.gz IMQRSWIPSZOQDG-GOEBONIOSA-N 1 0 347.459 2.648 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)cc1C ZINC001027078801 715522101 /nfs/dbraw/zinc/52/21/01/715522101.db2.gz NUSSODYJNRZZKG-SZVBFZGTSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3oncc3C)C2)cc1C ZINC001027152623 715720278 /nfs/dbraw/zinc/72/02/78/715720278.db2.gz KUDNTQXVOHPXIU-MRXNPFEDSA-N 1 0 343.427 2.552 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccnc(C)c3)C2)cc1C ZINC001022873497 715839143 /nfs/dbraw/zinc/83/91/43/715839143.db2.gz HTDIIVNBIGTEMP-HDICACEKSA-N 1 0 339.439 2.758 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3nccs3)C2)cc1C ZINC001022880151 715852602 /nfs/dbraw/zinc/85/26/02/715852602.db2.gz JBVBMHPRGGTKKG-OKILXGFUSA-N 1 0 331.441 2.511 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](C[NH2+]CC3CCC3)C2)cc1 ZINC001027242799 715971103 /nfs/dbraw/zinc/97/11/03/715971103.db2.gz ZTQRUOBHCDMDPP-AWEZNQCLSA-N 1 0 343.431 2.701 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc(Cl)no3)C2)cc1C ZINC001023006902 716072951 /nfs/dbraw/zinc/07/29/51/716072951.db2.gz VKZRRACZVNUVOL-BETUJISGSA-N 1 0 349.818 2.696 20 10 EFCDRO CC(C)C[N@@H+]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C(C)(C)C1 ZINC000977648943 716440113 /nfs/dbraw/zinc/44/01/13/716440113.db2.gz BLUMBOTVGKZBIN-HNNXBMFYSA-N 1 0 345.447 2.945 20 10 EFCDRO CC1(C)C[N@H+](CC2CC2)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000977664433 716460505 /nfs/dbraw/zinc/46/05/05/716460505.db2.gz VAYWQYLXCORNES-HNNXBMFYSA-N 1 0 343.431 2.699 20 10 EFCDRO CC1(C)C[N@H+](CC2CC2)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000977664443 716460647 /nfs/dbraw/zinc/46/06/47/716460647.db2.gz VAYWQYLXCORNES-OAHLLOKOSA-N 1 0 343.431 2.699 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)C3(C)CC3)CCO2)cc1C ZINC000979296147 716901344 /nfs/dbraw/zinc/90/13/44/716901344.db2.gz LSDIRUNHESNEJT-MAUKXSAKSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)C(C)(C)C)CCO2)cc1C ZINC000979427524 717016118 /nfs/dbraw/zinc/01/61/18/717016118.db2.gz JAENBKGZCZHGMM-MAUKXSAKSA-N 1 0 348.487 2.755 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)c3ccon3)C2)cc1C ZINC001023867797 717100117 /nfs/dbraw/zinc/10/01/17/717100117.db2.gz CKWGWOMCZYMMLY-MRXNPFEDSA-N 1 0 343.427 2.634 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)c3cocn3)C2)cc1C ZINC001023891825 717107479 /nfs/dbraw/zinc/10/74/79/717107479.db2.gz UIFBHYRETCKWAU-MRXNPFEDSA-N 1 0 343.427 2.634 20 10 EFCDRO O=C1N[C@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3O)CC[C@@H]2CO1 ZINC000281211064 717120131 /nfs/dbraw/zinc/12/01/31/717120131.db2.gz JQKZNYSDFAFEKS-AEFFLSMTSA-N 1 0 338.407 2.990 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](c2cccc(F)c2)N(C)C)c(O)c1OC ZINC000892420380 717243948 /nfs/dbraw/zinc/24/39/48/717243948.db2.gz QPSZFSZZGWPENI-MRXNPFEDSA-N 1 0 348.418 2.941 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCNC(=O)c1ccc(F)cc1 ZINC000840929782 717278175 /nfs/dbraw/zinc/27/81/75/717278175.db2.gz DSDALQDUUIBARO-UHFFFAOYSA-N 1 0 329.419 2.720 20 10 EFCDRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255635626 717291519 /nfs/dbraw/zinc/29/15/19/717291519.db2.gz BMJQMOYYDPJAJI-UHFFFAOYSA-N 1 0 339.399 2.718 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[C@@H]3C)C2)cc1C ZINC001024104194 717336623 /nfs/dbraw/zinc/33/66/23/717336623.db2.gz YKTFZOCMNLVOLS-QGTPRVQTSA-N 1 0 330.472 2.988 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)cc1OC ZINC000892422485 717349917 /nfs/dbraw/zinc/34/99/17/717349917.db2.gz ARMUCNZWASALGM-UHFFFAOYSA-N 1 0 333.384 2.716 20 10 EFCDRO C[C@@H]1CCC[C@]1(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893607882 717371756 /nfs/dbraw/zinc/37/17/56/717371756.db2.gz MDXCBIUHKROJFO-UZLBHIALSA-N 1 0 329.488 2.881 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c(O)c1OC ZINC000892430852 717407043 /nfs/dbraw/zinc/40/70/43/717407043.db2.gz LRSJJJKMABHSIO-HNNXBMFYSA-N 1 0 346.427 2.929 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1 ZINC000310069578 717419026 /nfs/dbraw/zinc/41/90/26/717419026.db2.gz HUOXDBQNVZOLQT-FVQHAEBGSA-N 1 0 331.460 2.708 20 10 EFCDRO C[C@@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1ccccc1O ZINC000310080034 717424040 /nfs/dbraw/zinc/42/40/40/717424040.db2.gz UQCLXQKAZBUCEB-KGLIPLIRSA-N 1 0 336.432 2.679 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c(O)c1OC ZINC000892438218 717459491 /nfs/dbraw/zinc/45/94/91/717459491.db2.gz GJBUZMAFTLUPCR-QGZVFWFLSA-N 1 0 342.439 2.774 20 10 EFCDRO CC(C)[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001024281921 717567891 /nfs/dbraw/zinc/56/78/91/717567891.db2.gz HDOPCJNNJBZKRG-ZDUSSCGKSA-N 1 0 331.420 2.699 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H](C[NH2+]CC3CC3)C2)cc1 ZINC001024282492 717568556 /nfs/dbraw/zinc/56/85/56/717568556.db2.gz OUSKHCKHWKJXOU-CQSZACIVSA-N 1 0 343.431 2.701 20 10 EFCDRO CC(C)[NH2+]C[C@@H]1C[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980817903 717799807 /nfs/dbraw/zinc/79/98/07/717799807.db2.gz JDTROYFPBIYICC-STQMWFEESA-N 1 0 331.420 2.698 20 10 EFCDRO CN(C)[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccco1 ZINC000066969859 717819771 /nfs/dbraw/zinc/81/97/71/717819771.db2.gz XHHXGBBCMMZJFF-GOSISDBHSA-N 1 0 347.434 2.648 20 10 EFCDRO COc1cc(Br)cc(C[NH+]2CCC(C)(O)CC2)c1O ZINC000179722678 717861559 /nfs/dbraw/zinc/86/15/59/717861559.db2.gz YQMHKYCPJMUZAA-UHFFFAOYSA-N 1 0 330.222 2.510 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ocnc3C)[C@H]2C)cc1C ZINC000986100427 724476246 /nfs/dbraw/zinc/47/62/46/724476246.db2.gz JSHIUVIEGIZAQN-HOCLYGCPSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)c3ccc[nH]3)C2)cc1C ZINC000980368556 718114877 /nfs/dbraw/zinc/11/48/77/718114877.db2.gz OACQXAOOVOORJH-WBVHZDCISA-N 1 0 341.455 2.972 20 10 EFCDRO Cc1ccc([C@@H](CNC(=O)c2ccc(C)c(O)c2O)[NH+](C)C)cc1 ZINC000177676850 718158605 /nfs/dbraw/zinc/15/86/05/718158605.db2.gz SYRWNJJBKBUZFT-MRXNPFEDSA-N 1 0 328.412 2.747 20 10 EFCDRO Cc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c(O)c1O ZINC000177674004 718162152 /nfs/dbraw/zinc/16/21/52/718162152.db2.gz BUPXROGIWBWBSA-OAHLLOKOSA-N 1 0 332.375 2.578 20 10 EFCDRO Cc1cc(F)ncc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000892620865 718350144 /nfs/dbraw/zinc/35/01/44/718350144.db2.gz FXWANGINEKHXSS-UHFFFAOYSA-N 1 0 333.382 2.795 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)c(O)c1OC ZINC000892626224 718353791 /nfs/dbraw/zinc/35/37/91/718353791.db2.gz OXPSJUQTLKGSON-MRXNPFEDSA-N 1 0 348.418 2.941 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)CN2C[C@@H](C)C[C@H](C)C2)c(O)c1OC ZINC000892674954 718472385 /nfs/dbraw/zinc/47/23/85/718472385.db2.gz LVFSLRXBVNGFQH-SOUVJXGZSA-N 1 0 336.476 2.865 20 10 EFCDRO COc1cc(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC3CCC3)C2)cc(OC)n1 ZINC000981198898 718493179 /nfs/dbraw/zinc/49/31/79/718493179.db2.gz LMJWFCLCWARDJK-CVEARBPZSA-N 1 0 347.459 2.530 20 10 EFCDRO COc1ccc(N2CCN(C(=O)[C@H]([NH3+])CC3CCCCC3)CC2)cc1 ZINC000327820303 718607254 /nfs/dbraw/zinc/60/72/54/718607254.db2.gz MQPYTSMBLNKHCQ-LJQANCHMSA-N 1 0 345.487 2.642 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[C@@H]3C(F)F)C2)cc1C ZINC001018797388 718718604 /nfs/dbraw/zinc/71/86/04/718718604.db2.gz KCPDYBGXBVTJLT-KKUMJFAQSA-N 1 0 338.398 2.595 20 10 EFCDRO COC(=O)N1CC([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000181468580 718733067 /nfs/dbraw/zinc/73/30/67/718733067.db2.gz DFULTWHNBOQIDV-ZDUSSCGKSA-N 1 0 335.423 2.917 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC3CC3)C2)cc1 ZINC000981542983 718801402 /nfs/dbraw/zinc/80/14/02/718801402.db2.gz YPOSRLCBDUDHKK-HZPDHXFCSA-N 1 0 343.431 2.890 20 10 EFCDRO CC[C@H]([NH2+]C[C@@](C)(O)COC)c1cc(Br)ccc1O ZINC000382565538 718961777 /nfs/dbraw/zinc/96/17/77/718961777.db2.gz NXBUINDRRPKTLE-GXTWGEPZSA-N 1 0 332.238 2.593 20 10 EFCDRO COCc1cc(C[NH2+]Cc2ccc(OC)c(OC)c2O)ccc1F ZINC000892886979 719258742 /nfs/dbraw/zinc/25/87/42/719258742.db2.gz ZSOYGUUBBNMCQF-UHFFFAOYSA-N 1 0 335.375 2.985 20 10 EFCDRO CCO[C@H]1C[C@@]([NH3+])(C(=O)N(CC)Cc2ccc(N(C)C)cc2)C1(C)C ZINC000328533709 719324109 /nfs/dbraw/zinc/32/41/09/719324109.db2.gz QUSYIKYCBXAOOI-FXAWDEMLSA-N 1 0 347.503 2.634 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3coc(C)n3)[C@@H]2C)cc1C ZINC000986201100 724577434 /nfs/dbraw/zinc/57/74/34/724577434.db2.gz LLACSFVMROUPGY-CJNGLKHVSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3occc3C)C2)cc1C ZINC001019990516 719426264 /nfs/dbraw/zinc/42/62/64/719426264.db2.gz RKAHFHBBPDLTHG-WKILWMFISA-N 1 0 328.412 2.956 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccnc(F)c3)C2)cc1C ZINC001020019573 719433956 /nfs/dbraw/zinc/43/39/56/719433956.db2.gz MBDLGTMSQRVMPL-WKILWMFISA-N 1 0 343.402 2.588 20 10 EFCDRO COc1cccc(OCCC[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000893011900 719455363 /nfs/dbraw/zinc/45/53/63/719455363.db2.gz BSBYCRZHQUEYHY-UHFFFAOYSA-N 1 0 347.411 2.977 20 10 EFCDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000893098135 719632311 /nfs/dbraw/zinc/63/23/11/719632311.db2.gz GTASLTWMYKDHRH-QIPPXTIRSA-N 1 0 341.473 2.579 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1CCCC[C@@H]1CC)cc2=O ZINC000163270516 724614876 /nfs/dbraw/zinc/61/48/76/724614876.db2.gz YYHHRKZKJUUZIO-WFASDCNBSA-N 1 0 346.431 2.670 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)C(F)F)C[C@@H]32)cc1C ZINC001026160913 719826134 /nfs/dbraw/zinc/82/61/34/719826134.db2.gz ITTHIQUXBXAVEG-SOUVJXGZSA-N 1 0 338.398 2.595 20 10 EFCDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)cc1 ZINC000179875968 719866256 /nfs/dbraw/zinc/86/62/56/719866256.db2.gz VOKHRBXUHDQSLG-UHFFFAOYSA-N 1 0 331.347 2.762 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)C[C@H]3CSCC[NH2+]3)cc2)CC1 ZINC000236673596 719985876 /nfs/dbraw/zinc/98/58/76/719985876.db2.gz DYQDLOWDYCZTFS-KRWDZBQOSA-N 1 0 347.528 2.634 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccns3)[C@H]2C)cc1C ZINC000986320212 724643600 /nfs/dbraw/zinc/64/36/00/724643600.db2.gz CRJHVWJVSIENBF-ZFWWWQNUSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+]CCSCC(F)(F)F)c(O)c1OC ZINC000893228601 720126149 /nfs/dbraw/zinc/12/61/49/720126149.db2.gz DBHZAOQANFMADB-UHFFFAOYSA-N 1 0 325.352 2.795 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2F)c1 ZINC000182426617 720129724 /nfs/dbraw/zinc/12/97/24/720129724.db2.gz UPQJMVWOAWHLFD-ZDUSSCGKSA-N 1 0 346.402 2.849 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1O ZINC000893976233 720192310 /nfs/dbraw/zinc/19/23/10/720192310.db2.gz OZWOQWRSVWBIMZ-JFIYKMOQSA-N 1 0 348.487 2.783 20 10 EFCDRO CC(C)(C)OC(=O)CC[NH2+]Cc1c(O)cccc1Br ZINC000858144052 720203629 /nfs/dbraw/zinc/20/36/29/720203629.db2.gz FFLARDODCLBSFK-UHFFFAOYSA-N 1 0 330.222 2.976 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1O ZINC000894006393 720219292 /nfs/dbraw/zinc/21/92/92/720219292.db2.gz UVRDPUPOGPHQEQ-CQSZACIVSA-N 1 0 342.443 2.627 20 10 EFCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894075408 720269087 /nfs/dbraw/zinc/26/90/87/720269087.db2.gz CIEQQSFEACDBKY-CQSZACIVSA-N 1 0 346.196 2.679 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCC2)cc1 ZINC001028340927 720400168 /nfs/dbraw/zinc/40/01/68/720400168.db2.gz YJABPJTUUCONFZ-INIZCTEOSA-N 1 0 343.431 2.843 20 10 EFCDRO CC[C@H](F)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028344863 720530265 /nfs/dbraw/zinc/53/02/65/720530265.db2.gz QCQJAPAQBOKXRU-ZFWWWQNUSA-N 1 0 349.410 2.791 20 10 EFCDRO C[C@H](CC(=O)NCc1ccc(N2CCCC2)cc1)C1CC[NH2+]CC1 ZINC000178711010 720564877 /nfs/dbraw/zinc/56/48/77/720564877.db2.gz SABWLDUACNEHKG-MRXNPFEDSA-N 1 0 329.488 2.929 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1[NH2+]CCc2ccccc21 ZINC000178711162 720565585 /nfs/dbraw/zinc/56/55/85/720565585.db2.gz OAZUAUGAUFMBKK-FQEVSTJZSA-N 1 0 335.451 2.790 20 10 EFCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)C(F)F)CC2)cc1C ZINC001026438805 720584533 /nfs/dbraw/zinc/58/45/33/720584533.db2.gz MYOMMMIKIWRUTH-UHFFFAOYSA-N 1 0 326.387 2.786 20 10 EFCDRO COC[C@@H]1C[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C[C@@H](C)O1 ZINC000249769112 720793562 /nfs/dbraw/zinc/79/35/62/720793562.db2.gz JEMSYWGDCJIQPV-CJNGLKHVSA-N 1 0 331.412 2.790 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3ccccn3)C2)cc1C ZINC001026642641 720884827 /nfs/dbraw/zinc/88/48/27/720884827.db2.gz MNDUIWQSGBRETI-KRWDZBQOSA-N 1 0 339.439 2.651 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3ccco3)C2)cc1C ZINC001026649406 720892176 /nfs/dbraw/zinc/89/21/76/720892176.db2.gz PUFDFXZTWNYUAG-MRXNPFEDSA-N 1 0 328.412 2.849 20 10 EFCDRO COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894153626 720944420 /nfs/dbraw/zinc/94/44/20/720944420.db2.gz ZSODWEQOBNARPF-INIZCTEOSA-N 1 0 347.411 2.550 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3cscn3)C2)cc1C ZINC001026730563 720999158 /nfs/dbraw/zinc/99/91/58/720999158.db2.gz YJLUPVJDVRCIPR-OAHLLOKOSA-N 1 0 345.468 2.712 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C3CC(C)C3)C2)cc1C ZINC001026771267 721075433 /nfs/dbraw/zinc/07/54/33/721075433.db2.gz SPLXMPIWUWEVJC-ZCDVPAHGSA-N 1 0 330.472 2.988 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCCO3)C2)cc1C ZINC001026786218 721106952 /nfs/dbraw/zinc/10/69/52/721106952.db2.gz WLGANYKAGPQZSR-IEBWSBKVSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)Cc3ccoc3)C2)cc1C ZINC001026798262 721127413 /nfs/dbraw/zinc/12/74/13/721127413.db2.gz KWICTCYBIGXRGW-GOSISDBHSA-N 1 0 342.439 2.777 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3[nH]ccc3C)C2)cc1C ZINC001026817084 721155448 /nfs/dbraw/zinc/15/54/48/721155448.db2.gz GAAZGLULZCTTGR-KRWDZBQOSA-N 1 0 341.455 2.892 20 10 EFCDRO COC(=O)c1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000894199771 721193550 /nfs/dbraw/zinc/19/35/50/721193550.db2.gz FUEJJXBIRRCSPZ-UHFFFAOYSA-N 1 0 346.452 2.661 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCNC(=O)c2ccc(C)cc2)c1O ZINC000894199830 721193611 /nfs/dbraw/zinc/19/36/11/721193611.db2.gz QYGBYJRGUGXKSF-UHFFFAOYSA-N 1 0 328.412 2.537 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(Br)cc1O)[C@H](O)C(F)(F)F ZINC000877693615 721203344 /nfs/dbraw/zinc/20/33/44/721203344.db2.gz LXAFPACUIGPKAL-WKEGUHRASA-N 1 0 328.128 2.556 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000894212141 721261711 /nfs/dbraw/zinc/26/17/11/721261711.db2.gz YTHUGWIJNWMNHO-KRWDZBQOSA-N 1 0 340.423 2.600 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3ccsn3)C2)cc1C ZINC001026911117 721322592 /nfs/dbraw/zinc/32/25/92/721322592.db2.gz STJCNSRVYYZHKV-OAHLLOKOSA-N 1 0 345.468 2.712 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCOc2cccc(NC(C)=O)c2)c1O ZINC000894233780 721352315 /nfs/dbraw/zinc/35/23/15/721352315.db2.gz NPJHMMNHTWQYBS-UHFFFAOYSA-N 1 0 344.411 2.836 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc(F)c[nH]3)[C@H]2C)cc1C ZINC000986584297 724775296 /nfs/dbraw/zinc/77/52/96/724775296.db2.gz FQPNXVTWRUOJCF-BBRMVZONSA-N 1 0 345.418 2.864 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)c1O ZINC000894251414 721743854 /nfs/dbraw/zinc/74/38/54/721743854.db2.gz VHWPUILNVFJYDK-OAHLLOKOSA-N 1 0 344.386 2.743 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3cccnc3)C2)cc1C ZINC000983017370 721762799 /nfs/dbraw/zinc/76/27/99/721762799.db2.gz DFMZUDJOELMACJ-SAABIXHNSA-N 1 0 339.439 2.697 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c(O)c1OC ZINC000894270625 721840752 /nfs/dbraw/zinc/84/07/52/721840752.db2.gz GMJXYFZHUAPEHL-INIZCTEOSA-N 1 0 331.412 2.849 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3ccoc3)C2)cc1C ZINC000983169257 721868990 /nfs/dbraw/zinc/86/89/90/721868990.db2.gz YHYOUMVHZPNKCY-JCNLHEQBSA-N 1 0 328.412 2.895 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)C[C@H]3CCCO3)C2)cc1C ZINC000983232345 721920366 /nfs/dbraw/zinc/92/03/66/721920366.db2.gz ZGSVNRQKKANVDI-KZNAEPCWSA-N 1 0 346.471 2.557 20 10 EFCDRO COc1ccc(C[NH+]2CCC(c3c[nH]nc3C)CC2)c(O)c1OC ZINC000894294081 721978449 /nfs/dbraw/zinc/97/84/49/721978449.db2.gz KPWWGIMHJRCXIU-UHFFFAOYSA-N 1 0 331.416 2.821 20 10 EFCDRO COc1cc(C)cc(C[NH2+]Cc2ccccc2CS(C)(=O)=O)c1O ZINC000894317853 722080767 /nfs/dbraw/zinc/08/07/67/722080767.db2.gz WIDGSSUCZDKDED-UHFFFAOYSA-N 1 0 349.452 2.544 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(c3ncccc3F)C2)c1O ZINC000894352972 722596922 /nfs/dbraw/zinc/59/69/22/722596922.db2.gz TZIAFHPPWUUCJD-AWEZNQCLSA-N 1 0 331.391 2.612 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000894356371 722604015 /nfs/dbraw/zinc/60/40/15/722604015.db2.gz JAXFVACQBDOZEP-CYBMUJFWSA-N 1 0 338.448 2.960 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000894356373 722604048 /nfs/dbraw/zinc/60/40/48/722604048.db2.gz JAXFVACQBDOZEP-ZDUSSCGKSA-N 1 0 338.448 2.960 20 10 EFCDRO C[C@H](F)CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013829 722637747 /nfs/dbraw/zinc/63/77/47/722637747.db2.gz IPXPJIUXOGCLIF-STQMWFEESA-N 1 0 349.410 2.649 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C2CCN(C(=O)[C@H](C)OC)CC2)cc1C ZINC001029061165 722709775 /nfs/dbraw/zinc/70/97/75/722709775.db2.gz QXJJOTVBHHCPIP-CVEARBPZSA-N 1 0 348.487 2.755 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(C[S@](C)=O)cc2)c(O)c1OC ZINC000894435688 722736809 /nfs/dbraw/zinc/73/68/09/722736809.db2.gz FNJNNHGXQQZPFS-DEOSSOPVSA-N 1 0 349.452 2.578 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@@H]2CC(=O)N(C3CCCCC3)C2)c1O ZINC000894457001 722741633 /nfs/dbraw/zinc/74/16/33/722741633.db2.gz VYWGOONFPTYNFI-OAHLLOKOSA-N 1 0 332.444 2.732 20 10 EFCDRO [O-]c1c(F)cc(F)cc1C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000894531881 722773762 /nfs/dbraw/zinc/77/37/62/722773762.db2.gz ADGZGEQPANSOCL-UHFFFAOYSA-N 1 0 337.345 2.917 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3(F)F)C2)cc1C ZINC000983617507 722782417 /nfs/dbraw/zinc/78/24/17/722782417.db2.gz BXOLKLXXASFZBF-KKUMJFAQSA-N 1 0 338.398 2.643 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c(O)c1OC ZINC000894571852 722785717 /nfs/dbraw/zinc/78/57/17/722785717.db2.gz AXJQGVFKYJPZRU-FQEVSTJZSA-N 1 0 343.423 2.545 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000894748281 722833363 /nfs/dbraw/zinc/83/33/63/722833363.db2.gz RPJSMDZKCGQEPN-CHWSQXEVSA-N 1 0 333.350 2.702 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2COC(=O)N(C)C)c1O ZINC000894753691 722836620 /nfs/dbraw/zinc/83/66/20/722836620.db2.gz XJIMEPSRKKDXAD-OAHLLOKOSA-N 1 0 336.432 2.762 20 10 EFCDRO COc1cc(C)cc(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1O ZINC000894813970 722855276 /nfs/dbraw/zinc/85/52/76/722855276.db2.gz DIPRDNYWINKHCH-SFHVURJKSA-N 1 0 342.439 2.888 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnn(C)c3C3CC3)C2)cc1 ZINC000895007069 723051758 /nfs/dbraw/zinc/05/17/58/723051758.db2.gz XKCBRTYSVDIVFV-OAHLLOKOSA-N 1 0 340.471 2.922 20 10 EFCDRO CC(C)(C)OC(=O)N1CCO[C@]2(CC[N@H+](Cc3ccccc3O)C2)C1 ZINC000896168193 723177452 /nfs/dbraw/zinc/17/74/52/723177452.db2.gz ODTRXFBLBULMQO-IBGZPJMESA-N 1 0 348.443 2.604 20 10 EFCDRO CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)C(=O)NCc1cccs1 ZINC000895079493 723219935 /nfs/dbraw/zinc/21/99/35/723219935.db2.gz SHYBTSHUDIQIEY-OAHLLOKOSA-N 1 0 348.468 2.955 20 10 EFCDRO COc1cc(O)c(C[NH2+]Cc2ccc3c(c2)ncn3C)cc1OC ZINC000896297527 723238460 /nfs/dbraw/zinc/23/84/60/723238460.db2.gz GTSVTAOMGTVGMY-UHFFFAOYSA-N 1 0 327.384 2.586 20 10 EFCDRO C=C/C=C\CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896437232 723301891 /nfs/dbraw/zinc/30/18/91/723301891.db2.gz MQEKURMAHZGKHU-JTHGQSKGSA-N 1 0 330.476 2.787 20 10 EFCDRO CC(C)N(CC1CC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000896444559 723304502 /nfs/dbraw/zinc/30/45/02/723304502.db2.gz MLWFEFBPJSUCGJ-UHFFFAOYSA-N 1 0 344.503 2.768 20 10 EFCDRO CCN1CCC[C@H]([NH2+]Cc2cc(Br)cc(C)c2O)C1=O ZINC000896732646 723454524 /nfs/dbraw/zinc/45/45/24/723454524.db2.gz AVYAJTDHTGAWIW-ZDUSSCGKSA-N 1 0 341.249 2.564 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)c(O)c1OC ZINC000896834868 723528502 /nfs/dbraw/zinc/52/85/02/723528502.db2.gz VGBQDOQAEDAQTO-LBPRGKRZSA-N 1 0 348.365 2.526 20 10 EFCDRO CC[NH+]1CCC(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000918060103 728829956 /nfs/dbraw/zinc/82/99/56/728829956.db2.gz CDZDMPHGPWZDPV-UHFFFAOYSA-N 1 0 344.503 2.911 20 10 EFCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)cc1OC ZINC000896839864 723535972 /nfs/dbraw/zinc/53/59/72/723535972.db2.gz ONEKJPDTPQUZDE-LBPRGKRZSA-N 1 0 348.365 2.526 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000237273857 723570613 /nfs/dbraw/zinc/57/06/13/723570613.db2.gz ZHJBMUKSXGGLBV-QZTJIDSGSA-N 1 0 331.504 2.986 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3nocc3C)C2)cc1C ZINC000985009848 723604622 /nfs/dbraw/zinc/60/46/22/723604622.db2.gz KMGKWAOOBJAGNS-WKILWMFISA-N 1 0 343.427 2.598 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000918215598 728855458 /nfs/dbraw/zinc/85/54/58/728855458.db2.gz GMTCDCAISQBPEY-RBUKOAKNSA-N 1 0 344.503 2.959 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000728387896 723988575 /nfs/dbraw/zinc/98/85/75/723988575.db2.gz RBBSERXONFTILB-IBGZPJMESA-N 1 0 329.488 2.976 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)cc1 ZINC000895326449 724034871 /nfs/dbraw/zinc/03/48/71/724034871.db2.gz XVDVTMKUNTVVHO-HKUYNNGSSA-N 1 0 346.496 2.702 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)cc1 ZINC000895326451 724035007 /nfs/dbraw/zinc/03/50/07/724035007.db2.gz XVDVTMKUNTVVHO-MJGOQNOKSA-N 1 0 346.496 2.702 20 10 EFCDRO CNC(=O)CC1(C[NH2+]Cc2cc(C)cc(OC)c2O)CCCCC1 ZINC000895336338 724044223 /nfs/dbraw/zinc/04/42/23/724044223.db2.gz SEEZSERAXDWQSW-UHFFFAOYSA-N 1 0 334.460 2.885 20 10 EFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCCNc1cc[nH+]cc1 ZINC000918355312 728870034 /nfs/dbraw/zinc/87/00/34/728870034.db2.gz MPHKMPSCHBMHQQ-UHFFFAOYSA-N 1 0 340.452 2.814 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000127113842 724075195 /nfs/dbraw/zinc/07/51/95/724075195.db2.gz SDIPJVPYNYTKHH-QGZVFWFLSA-N 1 0 345.418 2.976 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)cc1OC ZINC000895379309 724089900 /nfs/dbraw/zinc/08/99/00/724089900.db2.gz UBUWTLPRFOCYBR-ZBFHGGJFSA-N 1 0 336.476 2.962 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)c(O)c1OC ZINC000895383079 724095254 /nfs/dbraw/zinc/09/52/54/724095254.db2.gz GUUWHZACSGAHGZ-HNNXBMFYSA-N 1 0 334.460 2.906 20 10 EFCDRO Cc1cc(F)ncc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000895450624 724139753 /nfs/dbraw/zinc/13/97/53/724139753.db2.gz CDKLWDMHJNLPIH-UHFFFAOYSA-N 1 0 329.419 2.780 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](CO)c2ccc(F)cc2F)c(O)c1OC ZINC000895459336 724143021 /nfs/dbraw/zinc/14/30/21/724143021.db2.gz QKKDBQUITBITMG-AWEZNQCLSA-N 1 0 339.338 2.511 20 10 EFCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1 ZINC000895507964 724166553 /nfs/dbraw/zinc/16/65/53/724166553.db2.gz MZXBJQPSUHMGPB-INIZCTEOSA-N 1 0 338.407 2.918 20 10 EFCDRO COc1cccc(O)c1C[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000895495702 724167030 /nfs/dbraw/zinc/16/70/30/724167030.db2.gz WWAAGGWXDVUMIN-HNNXBMFYSA-N 1 0 346.814 2.949 20 10 EFCDRO Cc1ccc(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)c(O)c1 ZINC000895495546 724167051 /nfs/dbraw/zinc/16/70/51/724167051.db2.gz SDALDNUKQYRAAH-HNNXBMFYSA-N 1 0 332.350 2.874 20 10 EFCDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)ccc3O)C[C@@H]2C1 ZINC000895575318 724200474 /nfs/dbraw/zinc/20/04/74/724200474.db2.gz ASHOZUIMSVODFO-BGYRXZFFSA-N 1 0 336.435 2.969 20 10 EFCDRO CCO/C=C/[C@](O)(C[NH2+]Cc1ccc(N(C)C)cc1C)C(F)(F)F ZINC000895715221 724274942 /nfs/dbraw/zinc/27/49/42/724274942.db2.gz AOXCFERZYYVWKZ-FDMDGMSGSA-N 1 0 346.393 2.994 20 10 EFCDRO CCO/C=C/[C@](O)(C[NH2+]Cc1cc(OCC)ccc1O)C(F)(F)F ZINC000895708716 724278978 /nfs/dbraw/zinc/27/89/78/724278978.db2.gz VQYRSEKOMLHGMJ-KIUWMYQTSA-N 1 0 349.349 2.724 20 10 EFCDRO CCO/C=C/[C@](O)(C[NH2+]Cc1cc(Cl)ccc1O)C(F)(F)F ZINC000895709251 724279652 /nfs/dbraw/zinc/27/96/52/724279652.db2.gz YIVFKOVTDJKVPC-GFUIURDCSA-N 1 0 339.741 2.979 20 10 EFCDRO CN1CCCc2cc(C[NH2+]C[C@@H](O)COc3ccccc3)ccc21 ZINC000727645162 724283632 /nfs/dbraw/zinc/28/36/32/724283632.db2.gz RSLGEVQDONDGBP-GOSISDBHSA-N 1 0 326.440 2.599 20 10 EFCDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000895772484 724307177 /nfs/dbraw/zinc/30/71/77/724307177.db2.gz RXHULIGMBCPAQM-KRWDZBQOSA-N 1 0 347.528 2.729 20 10 EFCDRO CC[C@@H](C)[C@H](C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)OC ZINC000895813672 724328504 /nfs/dbraw/zinc/32/85/04/724328504.db2.gz LPHGTYGRJPCBJQ-BEFAXECRSA-N 1 0 347.503 2.539 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3nccs3)C[C@H]2C)cc1C ZINC000939376609 728895540 /nfs/dbraw/zinc/89/55/40/728895540.db2.gz IBRGOSYZCMPHNT-UKRRQHHQSA-N 1 0 345.468 2.710 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1COCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000895850613 724350888 /nfs/dbraw/zinc/35/08/88/724350888.db2.gz CJEVWPWPAWLLMD-KGLIPLIRSA-N 1 0 336.432 2.679 20 10 EFCDRO COc1cccc([C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)N(C)C)c1 ZINC000237289347 724352058 /nfs/dbraw/zinc/35/20/58/724352058.db2.gz SHCQGJOEPCRHFQ-MRXNPFEDSA-N 1 0 344.411 2.522 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3conc3C)[C@@H]2C)cc1C ZINC000986819764 724897411 /nfs/dbraw/zinc/89/74/11/724897411.db2.gz CCDRHGULNAXBIS-RHSMWYFYSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccoc3)[C@@H]2C)cc1C ZINC000985969061 724991792 /nfs/dbraw/zinc/99/17/92/724991792.db2.gz HLCSNIJYHOXFJQ-PBHICJAKSA-N 1 0 328.412 2.989 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cccn3C)[C@@H]2C)cc1C ZINC000985982744 724998741 /nfs/dbraw/zinc/99/87/41/724998741.db2.gz IEYRPSLIHGSXDJ-WBVHZDCISA-N 1 0 341.455 2.735 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3oncc3C)C[C@H]2C)cc1C ZINC000939455473 728940384 /nfs/dbraw/zinc/94/03/84/728940384.db2.gz AIJBYVIPVPXLKM-GDBMZVCRSA-N 1 0 343.427 2.550 20 10 EFCDRO CCC/C=C\C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000730235662 725513895 /nfs/dbraw/zinc/51/38/95/725513895.db2.gz LBJGRGPOWVLLTD-SREVYHEPSA-N 1 0 333.451 2.940 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCONC(=O)OC(C)(C)C)c1 ZINC000897425818 725554050 /nfs/dbraw/zinc/55/40/50/725554050.db2.gz FTGSMGQVNSAWJY-LBPRGKRZSA-N 1 0 340.420 2.898 20 10 EFCDRO CC(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC000987583478 725765762 /nfs/dbraw/zinc/76/57/62/725765762.db2.gz DGQUYOMYAOYBKN-DOMZBBRYSA-N 1 0 331.420 2.698 20 10 EFCDRO C[C@H]1[C@H]([NH2+]CCC2CC2)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000987584170 725766547 /nfs/dbraw/zinc/76/65/47/725766547.db2.gz INTMNKQGGVBRPZ-BLLLJJGKSA-N 1 0 343.431 2.842 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3ccco3)C2)cc1C ZINC000987793830 725851130 /nfs/dbraw/zinc/85/11/30/725851130.db2.gz KIJOOWAHOYMYKG-HOCLYGCPSA-N 1 0 328.412 2.989 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925400802 725936397 /nfs/dbraw/zinc/93/63/97/725936397.db2.gz WBVVWVKNEVGLDO-GOSISDBHSA-N 1 0 330.476 2.522 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3cscn3)C2)cc1C ZINC000988352478 726203866 /nfs/dbraw/zinc/20/38/66/726203866.db2.gz PEHYCNMTMQOFHE-UKRRQHHQSA-N 1 0 345.468 2.853 20 10 EFCDRO CCOC(=O)c1coc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000897522763 726402526 /nfs/dbraw/zinc/40/25/26/726402526.db2.gz OHOKSVJEDUYLRI-MRXNPFEDSA-N 1 0 346.431 2.632 20 10 EFCDRO CN(C)c1ccc([C@H](CNc2ccc(N)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000897523629 726404058 /nfs/dbraw/zinc/40/40/58/726404058.db2.gz WAKVQFVKDMUJAZ-SFHVURJKSA-N 1 0 343.431 2.958 20 10 EFCDRO CCOCc1cc(C[NH2+]CCc2nnc3ccccn32)ccc1OC ZINC000731448334 726864926 /nfs/dbraw/zinc/86/49/26/726864926.db2.gz IBLHIGWCZPMMEJ-UHFFFAOYSA-N 1 0 340.427 2.607 20 10 EFCDRO O=S(=O)(CC[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000731450445 726870975 /nfs/dbraw/zinc/87/09/75/726870975.db2.gz UEFHOGYAXQYXAJ-UHFFFAOYSA-N 1 0 344.480 2.850 20 10 EFCDRO COc1cccc(O)c1C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000732231206 727007834 /nfs/dbraw/zinc/00/78/34/727007834.db2.gz LPEHYDNZJUTEAJ-UHFFFAOYSA-N 1 0 334.460 2.526 20 10 EFCDRO COC(=O)c1coc(CN(C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000732410874 727072669 /nfs/dbraw/zinc/07/26/69/727072669.db2.gz LPPHZZIPZSBHHH-UHFFFAOYSA-N 1 0 332.400 2.643 20 10 EFCDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000732457175 727087132 /nfs/dbraw/zinc/08/71/32/727087132.db2.gz NIBVGACEXPPSLF-OAHLLOKOSA-N 1 0 336.455 2.564 20 10 EFCDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(N2CCCCC2)cc1 ZINC000174812302 727125575 /nfs/dbraw/zinc/12/55/75/727125575.db2.gz NWBIJZZNBYGWBX-UHFFFAOYSA-N 1 0 343.431 2.914 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000732576735 727162440 /nfs/dbraw/zinc/16/24/40/727162440.db2.gz OEDDKKXEPSINDW-FQEVSTJZSA-N 1 0 331.504 2.829 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H](C)CCC[C@H]1C)cc2=O ZINC000246483528 727402117 /nfs/dbraw/zinc/40/21/17/727402117.db2.gz AGFFFHPRVAARNI-CHWSQXEVSA-N 1 0 346.431 2.622 20 10 EFCDRO O=C(NCc1ccc(O)cc1O)c1cccc(C[NH+]2CCCC2)c1 ZINC000910951078 727472717 /nfs/dbraw/zinc/47/27/17/727472717.db2.gz ADBNZYPUSAZPHE-UHFFFAOYSA-N 1 0 326.396 2.624 20 10 EFCDRO Cc1cc(Cl)nc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000911667728 727576863 /nfs/dbraw/zinc/57/68/63/727576863.db2.gz RGKLWDMFGWSZKE-CQSZACIVSA-N 1 0 332.835 2.539 20 10 EFCDRO CN(CC[NH+]1CCCC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000733038964 727633233 /nfs/dbraw/zinc/63/32/33/727633233.db2.gz USDQPLPPVUQXNU-UHFFFAOYSA-N 1 0 330.476 2.524 20 10 EFCDRO C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)[NH+](C)C ZINC000912110174 727655264 /nfs/dbraw/zinc/65/52/64/727655264.db2.gz PHLNHKDORDYBHK-LBPRGKRZSA-N 1 0 331.382 2.594 20 10 EFCDRO CC[NH+]1CCC(NC(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000916160683 727662012 /nfs/dbraw/zinc/66/20/12/727662012.db2.gz ZDBITTDBANHGKR-UHFFFAOYSA-N 1 0 326.444 2.703 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C(=O)NCc2ccco2)cc1 ZINC000111399431 727671920 /nfs/dbraw/zinc/67/19/20/727671920.db2.gz QGLXDDIGCRYIAP-HNNXBMFYSA-N 1 0 329.444 2.920 20 10 EFCDRO CC1CCN(C(=O)C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000917074043 727763420 /nfs/dbraw/zinc/76/34/20/727763420.db2.gz NWYVHSKMKWCFDP-UHFFFAOYSA-N 1 0 329.488 2.976 20 10 EFCDRO CC(C)[N@H+](CC(=O)N1C[C@H](C)O[C@@H](C)C1)Cc1ccc(N(C)C)cc1 ZINC000917074958 727763561 /nfs/dbraw/zinc/76/35/61/727763561.db2.gz MRJLHDAHSWPTKA-IRXDYDNUSA-N 1 0 347.503 2.599 20 10 EFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(Cl)o3)cc2)C1 ZINC000917394264 727800221 /nfs/dbraw/zinc/80/02/21/727800221.db2.gz FSHHADVWKRUZFI-CQSZACIVSA-N 1 0 347.846 2.925 20 10 EFCDRO C[C@H]1C[C@@H](NC(=O)NCCCSc2nccs2)C[N@@H+]1C1CC1 ZINC000154409747 727811608 /nfs/dbraw/zinc/81/16/08/727811608.db2.gz AJCSELMRQVEGLZ-NWDGAFQWSA-N 1 0 340.518 2.550 20 10 EFCDRO CCc1cc(CN(C)[C@@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000054866206 727885827 /nfs/dbraw/zinc/88/58/27/727885827.db2.gz IZZYJNVKLWMMQI-OAHLLOKOSA-N 1 0 339.501 2.871 20 10 EFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000183160888 727980380 /nfs/dbraw/zinc/98/03/80/727980380.db2.gz IJYPYJZIGQGTAM-MZNJEOGPSA-N 1 0 349.427 2.943 20 10 EFCDRO COc1cc(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000165130339 728016282 /nfs/dbraw/zinc/01/62/82/728016282.db2.gz MJOHERHMEBYKDN-OAHLLOKOSA-N 1 0 348.487 2.999 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1F ZINC000057647149 728100061 /nfs/dbraw/zinc/10/00/61/728100061.db2.gz LAFPHLNMIXBOLO-MRXNPFEDSA-N 1 0 348.466 2.662 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2F)c1 ZINC000182349611 728110907 /nfs/dbraw/zinc/11/09/07/728110907.db2.gz NCUUSXILODPHJA-SNVBAGLBSA-N 1 0 336.338 2.968 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000182404831 728145510 /nfs/dbraw/zinc/14/55/10/728145510.db2.gz MOPHIXKKACHZOO-APPDUMDISA-N 1 0 332.356 2.693 20 10 EFCDRO CCc1nn(C)cc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000183513309 728145918 /nfs/dbraw/zinc/14/59/18/728145918.db2.gz ORIABJZNBWOHTB-QGZVFWFLSA-N 1 0 329.444 2.869 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COCc2ccccc2)c1 ZINC000182428874 728148655 /nfs/dbraw/zinc/14/86/55/728148655.db2.gz NDEWAPSYYDQANO-GOEBONIOSA-N 1 0 331.412 2.629 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@H](C)c2ccccc2)c1 ZINC000182431775 728149567 /nfs/dbraw/zinc/14/95/67/728149567.db2.gz GSAGCAANTUSOMM-KGLIPLIRSA-N 1 0 328.412 2.929 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N([C@@H](C)C2CC2)C2CC2)c1 ZINC000182414042 728152345 /nfs/dbraw/zinc/15/23/45/728152345.db2.gz DFMXFRVZAMXEBC-OLZOCXBDSA-N 1 0 332.444 2.841 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCCc2ccccc2C)c1 ZINC000182444130 728162814 /nfs/dbraw/zinc/16/28/14/728162814.db2.gz GYCMXPBYRZMKGX-OAHLLOKOSA-N 1 0 342.439 2.719 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157817422 728217371 /nfs/dbraw/zinc/21/73/71/728217371.db2.gz KOIMLMIWNSOXAW-YJBOKZPZSA-N 1 0 347.478 2.797 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000171646209 728546813 /nfs/dbraw/zinc/54/68/13/728546813.db2.gz NSGLTNIVCNORIZ-HNNXBMFYSA-N 1 0 332.492 2.815 20 10 EFCDRO COc1ccc(O)c(CNC(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000172019649 728563293 /nfs/dbraw/zinc/56/32/93/728563293.db2.gz VZLZVFPOTQGGBE-UHFFFAOYSA-N 1 0 329.400 2.784 20 10 EFCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000172491578 728593018 /nfs/dbraw/zinc/59/30/18/728593018.db2.gz XXRXYGJABTXCNA-ZDUSSCGKSA-N 1 0 335.444 2.980 20 10 EFCDRO COc1ccc(N2CCCN([C@@H](C)C(=O)OC(C)(C)C)CC2)cc1 ZINC000172528134 728595728 /nfs/dbraw/zinc/59/57/28/728595728.db2.gz QMTHGCAZOMBUKO-HNNXBMFYSA-N 1 0 334.460 2.938 20 10 EFCDRO COc1ccc(N2CCCN([C@H](C)C(=O)OC(C)(C)C)CC2)cc1 ZINC000172528141 728595853 /nfs/dbraw/zinc/59/58/53/728595853.db2.gz QMTHGCAZOMBUKO-OAHLLOKOSA-N 1 0 334.460 2.938 20 10 EFCDRO CC[NH+](CC)CCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000173312865 728622350 /nfs/dbraw/zinc/62/23/50/728622350.db2.gz GBNUFLCHHQIOFT-UHFFFAOYSA-N 1 0 333.476 2.802 20 10 EFCDRO COc1ccc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)cc1 ZINC000063824417 728649714 /nfs/dbraw/zinc/64/97/14/728649714.db2.gz KJWBDFTUMDLUEI-PTNGSMBKSA-N 1 0 348.493 2.991 20 10 EFCDRO CCCC[N@H+](C)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155047318 729066549 /nfs/dbraw/zinc/06/65/49/729066549.db2.gz DOHQPCMRAPXSQN-UHFFFAOYSA-N 1 0 330.476 2.594 20 10 EFCDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000919899271 729108598 /nfs/dbraw/zinc/10/85/98/729108598.db2.gz XNOLRGQTTPSITO-IXDOHACOSA-N 1 0 346.519 2.918 20 10 EFCDRO OCC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC000155136348 729112343 /nfs/dbraw/zinc/11/23/43/729112343.db2.gz ARARKGLIVFZXSE-UHFFFAOYSA-N 1 0 336.451 2.789 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3ccc[nH]3)C[C@H]2C)cc1C ZINC000939794320 729134797 /nfs/dbraw/zinc/13/47/97/729134797.db2.gz XYEBTFLSOBLUBF-CRAIPNDOSA-N 1 0 341.455 2.511 20 10 EFCDRO C[C@@H]1CN(c2ccc(CN[C@H]3CC[NH2+]C3(C)C)cc2F)C[C@H](C)O1 ZINC000925480433 729189699 /nfs/dbraw/zinc/18/96/99/729189699.db2.gz MDILVPPXWFCRMG-IYOUNJFTSA-N 1 0 335.467 2.669 20 10 EFCDRO C[C@@H]1CN(c2ccc(CN[C@@H]3CC[NH2+]C3(C)C)cc2F)C[C@H](C)O1 ZINC000925480436 729189739 /nfs/dbraw/zinc/18/97/39/729189739.db2.gz MDILVPPXWFCRMG-QWQRMKEZSA-N 1 0 335.467 2.669 20 10 EFCDRO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920871019 729238460 /nfs/dbraw/zinc/23/84/60/729238460.db2.gz VRRKMHBKAVNAAX-GVDBMIGSSA-N 1 0 347.503 2.867 20 10 EFCDRO CN(c1ccc(CNC(=S)NCC[NH+](C)C)cc1)C1CCCCC1 ZINC000921270802 729282350 /nfs/dbraw/zinc/28/23/50/729282350.db2.gz KZDZYFORVQGEEW-UHFFFAOYSA-N 1 0 348.560 2.981 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)c3ccon3)C2)cc1C ZINC000994789771 729527805 /nfs/dbraw/zinc/52/78/05/729527805.db2.gz HQYNVPMQMVORSQ-HOTGVXAUSA-N 1 0 343.427 2.680 20 10 EFCDRO CCN(CC)c1ccc(CNc2cc(-n3cccn3)nc(N)[nH+]2)cc1 ZINC000179890335 729642564 /nfs/dbraw/zinc/64/25/64/729642564.db2.gz NZKLOVMSOPDMDM-UHFFFAOYSA-N 1 0 337.431 2.703 20 10 EFCDRO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)c1 ZINC000179944461 729656179 /nfs/dbraw/zinc/65/61/79/729656179.db2.gz RHQVXZLIGKKVPA-UHFFFAOYSA-N 1 0 331.347 2.762 20 10 EFCDRO COc1ccc(N2CCN([C@H](C)C(=O)NC3CCCCC3)CC2)cc1 ZINC000068678605 729740937 /nfs/dbraw/zinc/74/09/37/729740937.db2.gz XMGKNFQUGSMBOW-MRXNPFEDSA-N 1 0 345.487 2.655 20 10 EFCDRO C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001593258235 994540546 /nfs/dbraw/zinc/54/05/46/994540546.db2.gz YLEFDEALVDRLCU-DZGCQCFKSA-N 1 0 332.444 2.863 20 10 EFCDRO CCOc1ccc(C[NH2+][C@](C)(CO)Cc2ccccc2OC)c(O)c1 ZINC000865715932 1126115244 /nfs/dbraw/zinc/11/52/44/1126115244.db2.gz IDWBZSZPCQJWOC-FQEVSTJZSA-N 1 0 345.439 2.883 20 10 EFCDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000873191289 1126118957 /nfs/dbraw/zinc/11/89/57/1126118957.db2.gz LIBKGQYRZIYXJQ-HXUWFJFHSA-N 1 0 327.424 2.713 20 10 EFCDRO CC1(C)[C@H](NCc2ccc(N3CCOCC3)c(F)c2)[C@H]2CCC[NH2+][C@H]21 ZINC001576392100 1089181328 /nfs/dbraw/zinc/18/13/28/1089181328.db2.gz WTLJFTKLWDZALZ-KFKAGJAMSA-N 1 0 347.478 2.529 20 10 EFCDRO C[C@@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)c2cc(Br)ccc2O1 ZINC001576763680 1089447384 /nfs/dbraw/zinc/44/73/84/1089447384.db2.gz XOJHFUHAGPDQSW-SKDRFNHKSA-N 1 0 337.217 2.611 20 10 EFCDRO CC[C@H](CC(F)(F)F)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001577043600 1089611810 /nfs/dbraw/zinc/61/18/10/1089611810.db2.gz KFBLNXTWHZBSPX-BXUZGUMPSA-N 1 0 331.382 2.847 20 10 EFCDRO CCCC[C@@H](C[NH3+])NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001577390723 1089905292 /nfs/dbraw/zinc/90/52/92/1089905292.db2.gz USGAJQKANMXYNW-KRWDZBQOSA-N 1 0 332.492 2.946 20 10 EFCDRO CCOC(=O)CN(CCCC1CC[NH2+]CC1)Cc1ccccc1O ZINC001577951557 1090221968 /nfs/dbraw/zinc/22/19/68/1090221968.db2.gz TYQOUOQLYRLTLL-UHFFFAOYSA-N 1 0 334.460 2.537 20 10 EFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 ZINC001578427268 1090369165 /nfs/dbraw/zinc/36/91/65/1090369165.db2.gz OLAHYVANESLHOF-IDHHARJASA-N 1 0 343.471 2.646 20 10 EFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12 ZINC001578427272 1090369223 /nfs/dbraw/zinc/36/92/23/1090369223.db2.gz OLAHYVANESLHOF-ZSZQSSIHSA-N 1 0 343.471 2.646 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)/C=C\SCc2ccco2)cc1 ZINC001578424768 1090369525 /nfs/dbraw/zinc/36/95/25/1090369525.db2.gz VCJNNGFSDPPJDH-FPISAVPCSA-N 1 0 345.468 2.909 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1C[C@@H]([NH3+])[C@@H]2C[C@@H]21 ZINC001578489949 1090385395 /nfs/dbraw/zinc/38/53/95/1090385395.db2.gz XWHZJALPFUZLIL-ZSYWTGECSA-N 1 0 327.472 2.619 20 10 EFCDRO CO/C(=C/c1ccccc1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001578764460 1090438652 /nfs/dbraw/zinc/43/86/52/1090438652.db2.gz WYSMSMROHSJATN-UIMCMNAESA-N 1 0 339.439 2.556 20 10 EFCDRO COC1CCN(c2ccc(CN[C@@H]3[C@H](C)CC[NH2+][C@@H]3C)cc2)CC1 ZINC001578941051 1090483890 /nfs/dbraw/zinc/48/38/90/1090483890.db2.gz NUVYOUFADVJCQQ-JXXFODFXSA-N 1 0 331.504 2.778 20 10 EFCDRO COc1cc(C)cc(CN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)c1O ZINC001579144327 1090526348 /nfs/dbraw/zinc/52/63/48/1090526348.db2.gz DGGAHQHTVLEJEG-NHYWBVRUSA-N 1 0 332.366 2.811 20 10 EFCDRO COc1cc(C)cc(CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1O ZINC001579145795 1090526434 /nfs/dbraw/zinc/52/64/34/1090526434.db2.gz XCMXUIFVPOQWDD-SFHVURJKSA-N 1 0 328.412 2.982 20 10 EFCDRO COc1ccc(N(CCc2ccccc2)C[C@H]2C[NH2+]CCO2)cc1 ZINC001579224736 1090551211 /nfs/dbraw/zinc/55/12/11/1090551211.db2.gz URZABBSTJRHQJA-HXUWFJFHSA-N 1 0 326.440 2.733 20 10 EFCDRO Cc1cc(CC(=O)NC[C@@H]2C[NH2+]C[C@H]2C)c(C)n1-c1ccccc1 ZINC001579589328 1090637828 /nfs/dbraw/zinc/63/78/28/1090637828.db2.gz FJDNOYJVCIESGF-KDOFPFPSSA-N 1 0 325.456 2.608 20 10 EFCDRO Cc1cc(CCNC(=O)N2CCC[C@@H]([NH3+])C2)c(C)n1-c1ccccc1 ZINC001579593289 1090638810 /nfs/dbraw/zinc/63/88/10/1090638810.db2.gz YUBZYCZYJSHDNG-GOSISDBHSA-N 1 0 340.471 2.769 20 10 EFCDRO Cc1cc(CNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)c(C)n1-c1ccccc1 ZINC001579600902 1090640222 /nfs/dbraw/zinc/64/02/22/1090640222.db2.gz BJFYZIRLTGMMQQ-YJBOKZPZSA-N 1 0 329.419 2.658 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C1CC2(C1)C[C@@H]([NH3+])CCS2 ZINC001579617098 1090643867 /nfs/dbraw/zinc/64/38/67/1090643867.db2.gz MELWCZXTHQCHMR-WUJZJPHMSA-N 1 0 347.528 2.680 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C1CC2(C1)C[C@H]([NH3+])CCS2 ZINC001579617097 1090644115 /nfs/dbraw/zinc/64/41/15/1090644115.db2.gz MELWCZXTHQCHMR-KOHRHEQBSA-N 1 0 347.528 2.680 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC001579617972 1090644782 /nfs/dbraw/zinc/64/47/82/1090644782.db2.gz XPAQTOWOESPNAX-AEFFLSMTSA-N 1 0 346.519 2.823 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC001579617957 1090644858 /nfs/dbraw/zinc/64/48/58/1090644858.db2.gz XIYVHEMQJOATPW-QFBILLFUSA-N 1 0 346.519 2.631 20 10 EFCDRO Cc1ccc(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)c(O)c1O ZINC001579661082 1090655656 /nfs/dbraw/zinc/65/56/56/1090655656.db2.gz FOEXEFCANJSIPP-QGZVFWFLSA-N 1 0 336.391 2.989 20 10 EFCDRO Cc1cc(CNC(=O)N2CC[NH2+][C@H]3C[C@H]32)c(C)n1-c1cccc(C)c1 ZINC001579747469 1090677662 /nfs/dbraw/zinc/67/76/62/1090677662.db2.gz MIIHCFIYUYLDLV-RBUKOAKNSA-N 1 0 338.455 2.658 20 10 EFCDRO [NH3+]CCN(Cc1ccccc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001580310556 1090857659 /nfs/dbraw/zinc/85/76/59/1090857659.db2.gz YKIXHBBBEUSIPN-UHFFFAOYSA-N 1 0 339.483 2.609 20 10 EFCDRO [NH3+]Cc1ccc2c(c1)CCCN2[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC001580340327 1090869037 /nfs/dbraw/zinc/86/90/37/1090869037.db2.gz VENLNZLMZCMWRM-IBGZPJMESA-N 1 0 339.414 2.843 20 10 EFCDRO Nc1ccc(C[NH2+]CCC2(O)CCN(c3ccccc3)CC2)cc1 ZINC001580445698 1090902157 /nfs/dbraw/zinc/90/21/57/1090902157.db2.gz QBFQXWRPFRZNSN-UHFFFAOYSA-N 1 0 325.456 2.780 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)NCCCCCC1CC[NH2+]CC1 ZINC001580493210 1090918864 /nfs/dbraw/zinc/91/88/64/1090918864.db2.gz BDBFSYBXINNBDB-SOFGYWHQSA-N 1 0 332.444 2.787 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(F)cc1-c1nn[nH]n1)c1ccc(N(C)C)cc1 ZINC001589970922 1093202248 /nfs/dbraw/zinc/20/22/48/1093202248.db2.gz SXBLMEQESUQMFZ-LBPRGKRZSA-N 1 0 340.406 2.923 20 10 EFCDRO CCc1cccc(C[N@H+](C)Cc2cc(-c3nn[nH]n3)cs2)c1O ZINC001590896251 1093624524 /nfs/dbraw/zinc/62/45/24/1093624524.db2.gz DJPPKSRAEQZKDQ-UHFFFAOYSA-N 1 0 329.429 2.828 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c1O ZINC001591538563 1093756373 /nfs/dbraw/zinc/75/63/73/1093756373.db2.gz GGNBDOWHQCATTL-UHFFFAOYSA-N 1 0 345.790 2.524 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2O)cc1-c1nn[nH]n1 ZINC001591596191 1093786186 /nfs/dbraw/zinc/78/61/86/1093786186.db2.gz HXCKOEXCOPXIML-GFCCVEGCSA-N 1 0 339.399 2.740 20 10 EFCDRO COc1cccc(C[N@H+](C)[C@H](C)c2cccc(-c3nn[nH]n3)c2)c1O ZINC001591638232 1093810175 /nfs/dbraw/zinc/81/01/75/1093810175.db2.gz OZAGWDHKISHOKE-GFCCVEGCSA-N 1 0 339.399 2.774 20 10 EFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cn2)c1O ZINC001591977326 1093943647 /nfs/dbraw/zinc/94/36/47/1093943647.db2.gz YVCAKMJPQFCFGT-JTQLQIEISA-N 1 0 344.806 2.780 20 10 EFCDRO c1csc(SCCC[NH2+]Cc2csc(-c3nn[nH]n3)c2)n1 ZINC001593588648 1094400731 /nfs/dbraw/zinc/40/07/31/1094400731.db2.gz FFBUDEBYAWGVBC-UHFFFAOYSA-N 1 0 338.487 2.657 20 10 EFCDRO CCOC(=O)C[C@@](C)([NH2+]Cc1ccc(OC)c(OC)c1O)C(C)C ZINC000893686554 1095930831 /nfs/dbraw/zinc/93/08/31/1095930831.db2.gz HNRCCRMTBUVWNC-GOSISDBHSA-N 1 0 339.432 2.867 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(N(C)C)cc1 ZINC001603667793 1096584992 /nfs/dbraw/zinc/58/49/92/1096584992.db2.gz IKUJYSASYQJETK-LBPRGKRZSA-N 1 0 340.406 2.923 20 10 EFCDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC001604700059 1096934421 /nfs/dbraw/zinc/93/44/21/1096934421.db2.gz BBHBTUBCROGGQC-ONEGZZNKSA-N 1 0 348.454 2.778 20 10 EFCDRO Oc1cc(Cl)ccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001607110644 1097517292 /nfs/dbraw/zinc/51/72/92/1097517292.db2.gz GOSVKVRQVZORCO-UHFFFAOYSA-N 1 0 333.754 2.655 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1cc(F)ccc1O ZINC001609124969 1098157655 /nfs/dbraw/zinc/15/76/55/1098157655.db2.gz ZXIZVQOCPUVJTD-SECBINFHSA-N 1 0 331.326 2.701 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cn1)c1cc(Cl)ccc1O ZINC001609194366 1098193493 /nfs/dbraw/zinc/19/34/93/1098193493.db2.gz APAFKIMKGAVCAR-CQSZACIVSA-N 1 0 344.806 2.862 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3ccc(-c4nn[nH]n4)cc32)cc1 ZINC001609270783 1098233773 /nfs/dbraw/zinc/23/37/73/1098233773.db2.gz YSIRWALEPQZYFQ-SFHVURJKSA-N 1 0 334.427 2.710 20 10 EFCDRO Cc1cc(CN2CCC[C@@]3(CC[NH2+]3)C2)c(O)cc1Br ZINC001222287760 1098731445 /nfs/dbraw/zinc/73/14/45/1098731445.db2.gz QJRFIMIRVVJEKI-OAHLLOKOSA-N 1 0 325.250 2.791 20 10 EFCDRO CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001105086585 1099629202 /nfs/dbraw/zinc/62/92/02/1099629202.db2.gz PUNJYPYTXBWPMF-UKRRQHHQSA-N 1 0 345.447 2.947 20 10 EFCDRO CN(C)c1ccc(/C=C/C(=O)N2CC3(CC[N@@H+]3C3CCCC3)C2)cc1 ZINC001270932705 1100284397 /nfs/dbraw/zinc/28/43/97/1100284397.db2.gz PMFZDALNOXWWBN-FMIVXFBMSA-N 1 0 339.483 2.995 20 10 EFCDRO CC[NH+](CC)Cc1cncc(NCCc2cc(O)c(O)cc2O)c1 ZINC001168013802 1100404089 /nfs/dbraw/zinc/40/40/89/1100404089.db2.gz KGSSSWYLOLQMIV-UHFFFAOYSA-N 1 0 331.416 2.695 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC1CC[NH+](C)CC1 ZINC000840289694 1100982550 /nfs/dbraw/zinc/98/25/50/1100982550.db2.gz NKPIGIWASUJNKA-INIZCTEOSA-N 1 0 346.519 2.633 20 10 EFCDRO COC(=O)[C@H](C)C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001208725303 1101452982 /nfs/dbraw/zinc/45/29/82/1101452982.db2.gz MWYVNJYCUQWKHZ-GFCCVEGCSA-N 1 0 346.349 2.516 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ccc4c(n3)CCOC4)cc2)CC1 ZINC001167426466 1101583391 /nfs/dbraw/zinc/58/33/91/1101583391.db2.gz GCGBZHKHJSXERX-UHFFFAOYSA-N 1 0 338.455 2.518 20 10 EFCDRO Cn1ccc2ccnc(NCc3ccc(N4CC[NH+](C)CC4)cc3)c21 ZINC001167431027 1101611094 /nfs/dbraw/zinc/61/10/94/1101611094.db2.gz BZEORGZLUUESJG-UHFFFAOYSA-N 1 0 335.455 2.937 20 10 EFCDRO CC[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1cc(Br)ccc1O ZINC000840825915 1101755436 /nfs/dbraw/zinc/75/54/36/1101755436.db2.gz MUUROIBIVNHHEA-ZWNOBZJWSA-N 1 0 341.249 2.722 20 10 EFCDRO CCCn1cc(C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)cn1 ZINC001167451401 1101888604 /nfs/dbraw/zinc/88/86/04/1101888604.db2.gz KNAAMJMBFZAFGL-UHFFFAOYSA-N 1 0 344.459 2.520 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]Cc2ccn(C)c2)c1O ZINC000748099392 1101894274 /nfs/dbraw/zinc/89/42/74/1101894274.db2.gz TWIMBIDPNQNQCN-UHFFFAOYSA-N 1 0 325.206 2.792 20 10 EFCDRO C[NH+](C)[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1cccs1 ZINC000588403237 1101896112 /nfs/dbraw/zinc/89/61/12/1101896112.db2.gz BLSWDYJULYCGPE-WOLRVDTOSA-N 1 0 332.425 2.592 20 10 EFCDRO C[NH+](C)[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000588403534 1101903008 /nfs/dbraw/zinc/90/30/08/1101903008.db2.gz OJCSDLVXKQRPST-SLWQEBJJSA-N 1 0 326.396 2.530 20 10 EFCDRO CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001075366510 1101975382 /nfs/dbraw/zinc/97/53/82/1101975382.db2.gz FIJYYTSDYWQMOS-JSGCOSHPSA-N 1 0 331.420 2.557 20 10 EFCDRO COc1cc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc(OC)c1 ZINC000841041244 1102878362 /nfs/dbraw/zinc/87/83/62/1102878362.db2.gz YURDPQJPWMFCBN-IBGZPJMESA-N 1 0 329.444 2.559 20 10 EFCDRO [NH3+]CC1(N(Cc2ccccc2)c2ccc3c(c2)OCCCO3)COC1 ZINC001167374874 1102916215 /nfs/dbraw/zinc/91/62/15/1102916215.db2.gz WTTLEMCJRDZSSF-UHFFFAOYSA-N 1 0 340.423 2.582 20 10 EFCDRO CCC(C)(C)NC(=S)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000905530289 1103316832 /nfs/dbraw/zinc/31/68/32/1103316832.db2.gz OYYFBKJYKLUAKZ-UHFFFAOYSA-N 1 0 334.533 2.591 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]C[C@H](O)c2ccc(F)cc2)N(C)C)cc1 ZINC000905704277 1103513906 /nfs/dbraw/zinc/51/39/06/1103513906.db2.gz MTIWINVUFWCHBA-PMACEKPBSA-N 1 0 345.462 2.818 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@H](O)c2ccccc2F)N(C)C)cc1 ZINC000905705818 1103515026 /nfs/dbraw/zinc/51/50/26/1103515026.db2.gz RUZDPJUVRAYQMC-UXHICEINSA-N 1 0 345.462 2.818 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]C[C@@H](O)c2cccc(F)c2)N(C)C)cc1 ZINC000905705910 1103517704 /nfs/dbraw/zinc/51/77/04/1103517704.db2.gz SHIKTZDBVALLTL-VQTJNVASSA-N 1 0 345.462 2.818 20 10 EFCDRO CCCc1onc(C)c1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001127105713 1104139332 /nfs/dbraw/zinc/13/93/32/1104139332.db2.gz KTRLHJXNSZIPPK-UHFFFAOYSA-N 1 0 345.443 2.772 20 10 EFCDRO CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001105857334 1104269568 /nfs/dbraw/zinc/26/95/68/1104269568.db2.gz KURMHJPJSDGBCD-JFIYKMOQSA-N 1 0 348.487 2.613 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N(CCC[NH3+])Cc2ccccc2)cc1 ZINC000841653154 1104318653 /nfs/dbraw/zinc/31/86/53/1104318653.db2.gz HJOKDXVMEIADHA-UHFFFAOYSA-N 1 0 340.471 2.813 20 10 EFCDRO [NH3+]C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C1CCCCC1 ZINC000841710468 1104665061 /nfs/dbraw/zinc/66/50/61/1104665061.db2.gz WKECQCDSHBWAFB-LJQANCHMSA-N 1 0 344.503 2.994 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000841719257 1104743983 /nfs/dbraw/zinc/74/39/83/1104743983.db2.gz HFFUQECFOKFXSE-QAPCUYQASA-N 1 0 332.492 2.944 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000841719241 1104744136 /nfs/dbraw/zinc/74/41/36/1104744136.db2.gz HBFOANCWCNTLNO-DOTOQJQBSA-N 1 0 332.492 2.720 20 10 EFCDRO C[C@H]1COCCN1CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000729678737 1104768768 /nfs/dbraw/zinc/76/87/68/1104768768.db2.gz IERRUSFVPAWRHY-INIZCTEOSA-N 1 0 326.440 2.870 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3ccn(C)c3)C2)cc1C ZINC000988618234 1104876692 /nfs/dbraw/zinc/87/66/92/1104876692.db2.gz DLCVNPNBSQHQFN-YJBOKZPZSA-N 1 0 341.455 2.735 20 10 EFCDRO CN(C)c1ccc([C@@H](CNc2ncccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000897524676 1104920215 /nfs/dbraw/zinc/92/02/15/1104920215.db2.gz BVPPBLLBSYWSDQ-MRXNPFEDSA-N 1 0 329.404 2.771 20 10 EFCDRO Cc1cn2nc(NC[C@@H](c3ccc(N(C)C)cc3)[NH+](C)C)sc2n1 ZINC000897524648 1104920290 /nfs/dbraw/zinc/92/02/90/1104920290.db2.gz BMTGCTFKSSONOK-HNNXBMFYSA-N 1 0 344.488 2.880 20 10 EFCDRO Cc1cc2c(NC[C@H](c3ccc(N(C)C)cc3)[NH+](C)C)nccn2n1 ZINC000897525234 1104938419 /nfs/dbraw/zinc/93/84/19/1104938419.db2.gz KXVODRHSTPINJS-GOSISDBHSA-N 1 0 338.459 2.819 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3cc(F)c[nH]3)C2)cc1C ZINC000989204915 1105608212 /nfs/dbraw/zinc/60/82/12/1105608212.db2.gz BKMWKRDBUWZDQO-CZUORRHYSA-N 1 0 345.418 2.864 20 10 EFCDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1cccc(Br)c1O ZINC000897577334 1105780045 /nfs/dbraw/zinc/78/00/45/1105780045.db2.gz VVNAGCWMHGRHSA-GFCCVEGCSA-N 1 0 341.249 2.644 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3conc3C)C2)cc1C ZINC000989392627 1105851623 /nfs/dbraw/zinc/85/16/23/1105851623.db2.gz VMLONHXNVYTANR-XJKSGUPXSA-N 1 0 343.427 2.693 20 10 EFCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000841894521 1105868948 /nfs/dbraw/zinc/86/89/48/1105868948.db2.gz QPESDPJERJHMQR-NSHDSACASA-N 1 0 335.192 2.584 20 10 EFCDRO C[NH+](C)CCCC1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841956666 1106042931 /nfs/dbraw/zinc/04/29/31/1106042931.db2.gz DQZPVADVVWISDK-UHFFFAOYSA-N 1 0 332.492 2.575 20 10 EFCDRO CCN(CC)c1ccc(CN(C)C(=O)NCC2=CC[NH2+]CC2)cc1 ZINC000841971623 1106064280 /nfs/dbraw/zinc/06/42/80/1106064280.db2.gz KLXHGDQEBBCCEX-UHFFFAOYSA-N 1 0 330.476 2.594 20 10 EFCDRO C[C@@H]1C[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)CC[NH2+]1 ZINC000841985670 1106095729 /nfs/dbraw/zinc/09/57/29/1106095729.db2.gz KJDMAPROFJYWOW-GDBMZVCRSA-N 1 0 343.427 2.838 20 10 EFCDRO O=C(NC1CC[NH+](Cc2cc(F)c(F)cc2[O-])CC1)C1CCCC1 ZINC001142520419 1106106795 /nfs/dbraw/zinc/10/67/95/1106106795.db2.gz IZFACKOJIBXKLZ-UHFFFAOYSA-N 1 0 338.398 2.941 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CC2(C1)CCN(C(=O)OC(C)(C)C)C2 ZINC000897895532 1106135499 /nfs/dbraw/zinc/13/54/99/1106135499.db2.gz AAVFXNCHWAQOKZ-UHFFFAOYSA-N 1 0 348.443 2.844 20 10 EFCDRO O=C(NCCC[C@H]1CCC[NH2+]1)NCc1c(O)ccc2c1CCCC2 ZINC000842005453 1106167310 /nfs/dbraw/zinc/16/73/10/1106167310.db2.gz POSXJQCEHOSBIH-OAHLLOKOSA-N 1 0 331.460 2.602 20 10 EFCDRO C[C@H](Cc1cccnc1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000897969244 1106171137 /nfs/dbraw/zinc/17/11/37/1106171137.db2.gz HFHMKQCSPJJQGI-OAHLLOKOSA-N 1 0 329.419 2.778 20 10 EFCDRO COc1ccc(C[N@H+](CCCO)Cc2c(O)cccc2OC)cc1 ZINC000898172382 1106258312 /nfs/dbraw/zinc/25/83/12/1106258312.db2.gz FMDPTBGGFLPCGU-UHFFFAOYSA-N 1 0 331.412 2.794 20 10 EFCDRO OCCc1ccc(C[NH2+]Cc2cc(Br)ccc2O)cc1 ZINC000898172527 1106259797 /nfs/dbraw/zinc/25/97/97/1106259797.db2.gz MXNAUGKIZPVQSB-UHFFFAOYSA-N 1 0 336.229 2.979 20 10 EFCDRO C[C@H]1C[C@@H]([NH2+]CC2CCC2)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000989839423 1106691267 /nfs/dbraw/zinc/69/12/67/1106691267.db2.gz YXZVCOJAYNSFBM-BLLLJJGKSA-N 1 0 343.431 2.842 20 10 EFCDRO CC[C@H]([NH2+][C@@H](C)CC(=O)NC)c1cc(Br)ccc1O ZINC000323066208 1106810063 /nfs/dbraw/zinc/81/00/63/1106810063.db2.gz VFQJAGGLJGXLBT-CABZTGNLSA-N 1 0 329.238 2.720 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001089068023 1107403983 /nfs/dbraw/zinc/40/39/83/1107403983.db2.gz ITAWNEYYNVOLNV-DOMZBBRYSA-N 1 0 331.420 2.698 20 10 EFCDRO CN(C)c1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000904420245 1107934378 /nfs/dbraw/zinc/93/43/78/1107934378.db2.gz IESXYRWZOFIILN-GXTWGEPZSA-N 1 0 327.394 2.813 20 10 EFCDRO NOCCC[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000904457812 1107953523 /nfs/dbraw/zinc/95/35/23/1107953523.db2.gz SIMILNQQPLHSPL-UHFFFAOYSA-N 1 0 342.281 2.809 20 10 EFCDRO O=C1N(CC2CCCC2)CC[C@@]12CC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001272386841 1108150319 /nfs/dbraw/zinc/15/03/19/1108150319.db2.gz NYGZKPLQCUQVRS-HXUWFJFHSA-N 1 0 344.455 2.712 20 10 EFCDRO CC(C)CN1CC2(CCC1=O)CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001272386796 1108150345 /nfs/dbraw/zinc/15/03/45/1108150345.db2.gz QZJXIOFAUDKIJK-UHFFFAOYSA-N 1 0 346.471 2.958 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)CC1(O)CCCCC1 ZINC000905131834 1108443761 /nfs/dbraw/zinc/44/37/61/1108443761.db2.gz CMKLTRVRHVDLLM-LJQANCHMSA-N 1 0 330.472 2.599 20 10 EFCDRO CN(C)c1ccc(CN2CC[C@]3(CCC[N@@H+]3CC3CC3)C2=O)cc1 ZINC001272492438 1108523239 /nfs/dbraw/zinc/52/32/39/1108523239.db2.gz YNZMKHGLHPTDJJ-HXUWFJFHSA-N 1 0 327.472 2.730 20 10 EFCDRO CC[C@@H](O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000128165223 1108753474 /nfs/dbraw/zinc/75/34/74/1108753474.db2.gz VKWHNSFKXDQPBH-UKRRQHHQSA-N 1 0 326.868 2.988 20 10 EFCDRO CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000924715747 1108839896 /nfs/dbraw/zinc/83/98/96/1108839896.db2.gz MNHBVVPVZHVONE-SZXPJGKVSA-N 1 0 336.451 2.954 20 10 EFCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1Cc2ccccc2[C@@H]1O ZINC000898392758 1108907397 /nfs/dbraw/zinc/90/73/97/1108907397.db2.gz JHKNMANGJNSTSC-HOCLYGCPSA-N 1 0 334.213 2.903 20 10 EFCDRO CCOc1cncc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000898448124 1108942075 /nfs/dbraw/zinc/94/20/75/1108942075.db2.gz PREPJDPIUGPVKR-HXUWFJFHSA-N 1 0 342.487 2.939 20 10 EFCDRO CN(C)c1ccc([C@@H](CNCc2ncc(Cl)n2C)[NH+](C)C)cc1 ZINC000898449378 1108942778 /nfs/dbraw/zinc/94/27/78/1108942778.db2.gz CZHGVNDFNHNKGL-OAHLLOKOSA-N 1 0 335.883 2.532 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)CN1C1CC1 ZINC000898449694 1108942946 /nfs/dbraw/zinc/94/29/46/1108942946.db2.gz JGAUFPLXWKVVCQ-MDYRTPRTSA-N 1 0 330.520 2.570 20 10 EFCDRO COc1ncc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000898450091 1108944134 /nfs/dbraw/zinc/94/41/34/1108944134.db2.gz MZSJJSAIOLQOBV-MRXNPFEDSA-N 1 0 334.489 2.610 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cnccc2N(C)C)N(C)C)cc1 ZINC000898450147 1108944239 /nfs/dbraw/zinc/94/42/39/1108944239.db2.gz ONVULVIQGAFTOO-FQEVSTJZSA-N 1 0 341.503 2.606 20 10 EFCDRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449893 1108944262 /nfs/dbraw/zinc/94/42/62/1108944262.db2.gz LGDLZCPWOLAHCE-QFBILLFUSA-N 1 0 348.535 2.592 20 10 EFCDRO CN(C)c1ccc([C@H](CNCc2cnn(C)c2Cl)[NH+](C)C)cc1 ZINC000898450235 1108944399 /nfs/dbraw/zinc/94/43/99/1108944399.db2.gz PCPWSMAQMQLWIO-INIZCTEOSA-N 1 0 335.883 2.532 20 10 EFCDRO COc1cc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)sn1 ZINC000898446774 1108948144 /nfs/dbraw/zinc/94/81/44/1108948144.db2.gz AHSHFVKCLNYBBN-MRXNPFEDSA-N 1 0 334.489 2.610 20 10 EFCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898720190 1109062231 /nfs/dbraw/zinc/06/22/31/1109062231.db2.gz KAEZMKMLHBEZHG-LLVKDONJSA-N 1 0 336.233 2.764 20 10 EFCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898720191 1109062311 /nfs/dbraw/zinc/06/23/11/1109062311.db2.gz KAEZMKMLHBEZHG-NSHDSACASA-N 1 0 336.233 2.764 20 10 EFCDRO Brc1cnc2n1C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000898725711 1109066760 /nfs/dbraw/zinc/06/67/60/1109066760.db2.gz VRQHSGPWTYKDCK-CYBMUJFWSA-N 1 0 348.244 2.685 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@@H]2C2CC2)[NH+](C)C)cc1 ZINC000899102541 1109202754 /nfs/dbraw/zinc/20/27/54/1109202754.db2.gz QKSYGFKATYJMGJ-MOPGFXCFSA-N 1 0 344.503 2.939 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@@H]2C2CC2)[NH+](C)C)cc1 ZINC000899102547 1109203067 /nfs/dbraw/zinc/20/30/67/1109203067.db2.gz QKSYGFKATYJMGJ-RTBURBONSA-N 1 0 344.503 2.939 20 10 EFCDRO CC1=CCCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899104191 1109203132 /nfs/dbraw/zinc/20/31/32/1109203132.db2.gz QNULCFWFTYVZKS-SFHVURJKSA-N 1 0 330.476 2.717 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCCC3(CC3)C2)[NH+](C)C)cc1 ZINC000899104719 1109203487 /nfs/dbraw/zinc/20/34/87/1109203487.db2.gz SOAXGFZSDXDDKD-SFHVURJKSA-N 1 0 344.503 2.941 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCCC3(CC3)C2)[NH+](C)C)cc1 ZINC000899104718 1109203775 /nfs/dbraw/zinc/20/37/75/1109203775.db2.gz SOAXGFZSDXDDKD-GOSISDBHSA-N 1 0 344.503 2.941 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)CCC2CC2)[NH+](C)C)cc1 ZINC000899105470 1109204095 /nfs/dbraw/zinc/20/40/95/1109204095.db2.gz WWYGQVOEOUAWKB-SFHVURJKSA-N 1 0 332.492 2.797 20 10 EFCDRO CCN(CC1CC1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100650 1109207978 /nfs/dbraw/zinc/20/79/78/1109207978.db2.gz BLFUKYOWPIYIJK-SFHVURJKSA-N 1 0 332.492 2.797 20 10 EFCDRO C[C@@H]1CC[C@H](C)N1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100584 1109208135 /nfs/dbraw/zinc/20/81/35/1109208135.db2.gz ASNNUWVVCHEURZ-RVKKMQEKSA-N 1 0 332.492 2.938 20 10 EFCDRO CC(C)[C@H]1CCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100934 1109208151 /nfs/dbraw/zinc/20/81/51/1109208151.db2.gz DDCZUXIBGFUDCN-QZTJIDSGSA-N 1 0 332.492 2.795 20 10 EFCDRO COC(=O)c1ccc(CN2CCN(c3ccc(OC)cc3C)CC2)o1 ZINC001142639545 1109443134 /nfs/dbraw/zinc/44/31/34/1109443134.db2.gz LDZGHYWZFFYAAF-UHFFFAOYSA-N 1 0 344.411 2.705 20 10 EFCDRO CC(C)(C)C(=O)N1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000914568735 1111262438 /nfs/dbraw/zinc/26/24/38/1111262438.db2.gz FRNBXDJDPNTXNY-UHFFFAOYSA-N 1 0 327.428 2.631 20 10 EFCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@H](C)C(C)(C)C)CC2)cc1 ZINC000914574599 1111265466 /nfs/dbraw/zinc/26/54/66/1111265466.db2.gz RIHLXJXTTZUXTH-MRXNPFEDSA-N 1 0 347.503 2.710 20 10 EFCDRO C[NH+]1CCC(CCNC(=O)NCCCSc2nccs2)CC1 ZINC000153235364 1111266713 /nfs/dbraw/zinc/26/67/13/1111266713.db2.gz LFJVQLQJNUZJNP-UHFFFAOYSA-N 1 0 342.534 2.656 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000176622930 1111734580 /nfs/dbraw/zinc/73/45/80/1111734580.db2.gz KQCMLPAOBSYSGL-MJBXVCDLSA-N 1 0 335.448 2.634 20 10 EFCDRO COC(C)(C)CN1CCC2(CC[NH+](Cc3ccccc3O)CC2)C1=O ZINC001272618471 1111753398 /nfs/dbraw/zinc/75/33/98/1111753398.db2.gz JAANHOWZURAYQK-UHFFFAOYSA-N 1 0 346.471 2.632 20 10 EFCDRO O=C1CCC2(CC[NH+](Cc3ccccc3O)CC2)CN1CC(F)F ZINC001272619163 1111754797 /nfs/dbraw/zinc/75/47/97/1111754797.db2.gz RYHZNSOHBHEPJC-UHFFFAOYSA-N 1 0 338.398 2.862 20 10 EFCDRO COC(C)(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccccc1O)CC2 ZINC001272619709 1111755158 /nfs/dbraw/zinc/75/51/58/1111755158.db2.gz YMPJWAFWGHWKST-INIZCTEOSA-N 1 0 346.471 2.536 20 10 EFCDRO CC[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC001272622279 1111758602 /nfs/dbraw/zinc/75/86/02/1111758602.db2.gz BVZASSUOJWRXFS-GDBMZVCRSA-N 1 0 346.471 2.918 20 10 EFCDRO CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3cc(C)ccc3O)C2)C1=O ZINC001272622371 1111759392 /nfs/dbraw/zinc/75/93/92/1111759392.db2.gz GUKPTRTUEKASJM-QRWLVFNGSA-N 1 0 344.455 2.840 20 10 EFCDRO CC[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3cccc(OC)c3O)C2)C1=O ZINC001272622460 1111759517 /nfs/dbraw/zinc/75/95/17/1111759517.db2.gz KMIKCJCKQWXMOB-AUUYWEPGSA-N 1 0 332.444 2.624 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@@]23CCN(CC=C(C)C)C3=O)c(O)c1 ZINC001272624650 1111763633 /nfs/dbraw/zinc/76/36/33/1111763633.db2.gz AIFFOXIOMHFOTP-FQEVSTJZSA-N 1 0 344.455 2.934 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@@]23CCN(CC=C(C)C)C3=O)c1O ZINC001272625090 1111765313 /nfs/dbraw/zinc/76/53/13/1111765313.db2.gz HKYUFLVADYAFDL-FQEVSTJZSA-N 1 0 344.455 2.934 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@@]3(CCN(C4CCCC4)C3=O)C2)c(O)c1 ZINC001272626449 1111767737 /nfs/dbraw/zinc/76/77/37/1111767737.db2.gz XLXCGBHVQDOQRG-HXUWFJFHSA-N 1 0 344.455 2.768 20 10 EFCDRO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(OC)cc1O ZINC001272626390 1111768122 /nfs/dbraw/zinc/76/81/22/1111768122.db2.gz WTKRCQRMACPTCA-IAOVAPTHSA-N 1 0 332.444 2.765 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@]23CCN(CC=C(C)C)C3=O)c1 ZINC001272637241 1111786459 /nfs/dbraw/zinc/78/64/59/1111786459.db2.gz KRESPNVWGWXWFW-FQEVSTJZSA-N 1 0 344.455 2.934 20 10 EFCDRO CC[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cc(OC)ccc2O)C1=O ZINC001272637742 1111788268 /nfs/dbraw/zinc/78/82/68/1111788268.db2.gz NANKNLCTCGFHEC-AUUYWEPGSA-N 1 0 332.444 2.766 20 10 EFCDRO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(OC)ccc1O ZINC001272638793 1111797755 /nfs/dbraw/zinc/79/77/55/1111797755.db2.gz UYWZKFZQAQNMRH-IAOVAPTHSA-N 1 0 332.444 2.765 20 10 EFCDRO CC[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cc(OC)ccc1O)CC2 ZINC001272639407 1111799005 /nfs/dbraw/zinc/79/90/05/1111799005.db2.gz YYKXDNZHFVGMFZ-WMLDXEAASA-N 1 0 346.471 2.918 20 10 EFCDRO CC[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(O)c(C)c1O)CC2 ZINC001272657819 1111932510 /nfs/dbraw/zinc/93/25/10/1111932510.db2.gz NPPFVIRVLCNNGJ-XJKSGUPXSA-N 1 0 346.471 2.923 20 10 EFCDRO CCCCN1CC[C@@]2(CC[N@H+](Cc3ccc(O)c(C)c3O)C2)C1=O ZINC001272660393 1111954764 /nfs/dbraw/zinc/95/47/64/1111954764.db2.gz QKFOLCPGWOZVDG-LJQANCHMSA-N 1 0 332.444 2.631 20 10 EFCDRO COCCC[N@H+](CCOC)Cc1ccc(Br)cc1O ZINC000691677154 1112265614 /nfs/dbraw/zinc/26/56/14/1112265614.db2.gz MUEUJGNNIYKBQJ-UHFFFAOYSA-N 1 0 332.238 2.640 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCO[C@H]2C(C)C)cc1C ZINC001127629088 1117772551 /nfs/dbraw/zinc/77/25/51/1117772551.db2.gz UWFLYZSMAONUAY-HKUYNNGSSA-N 1 0 348.487 2.661 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2[nH]cnc2C(C)(C)C)cc1C ZINC001127664584 1118335440 /nfs/dbraw/zinc/33/54/40/1118335440.db2.gz KXXGKEKEMMWCLD-UHFFFAOYSA-N 1 0 344.459 2.544 20 10 EFCDRO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001272700111 1118430364 /nfs/dbraw/zinc/43/03/64/1118430364.db2.gz RUTTUCOQYCFUTC-HGHGUNKESA-N 1 0 341.499 2.833 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)CC2(C)COC2)c(Br)c1 ZINC001237072888 1118585211 /nfs/dbraw/zinc/58/52/11/1118585211.db2.gz MUBSGNLUSCQSLW-UHFFFAOYSA-N 1 0 330.222 2.632 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCc2sccc2C)c1 ZINC000182450715 1118608840 /nfs/dbraw/zinc/60/88/40/1118608840.db2.gz NVPLFKGBOGPEIQ-GFCCVEGCSA-N 1 0 334.441 2.738 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)cc1Br ZINC001237676158 1118789879 /nfs/dbraw/zinc/78/98/79/1118789879.db2.gz GGAWOHAZVFHNRR-QWHCGFSZSA-N 1 0 332.213 2.758 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NCCC[NH+](C)C)c2C)cc1 ZINC000071808858 1118810866 /nfs/dbraw/zinc/81/08/66/1118810866.db2.gz SQMLUKKVJCIRCC-UHFFFAOYSA-N 1 0 329.444 2.784 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC3CC3)C2)cc1 ZINC000995238814 1118828498 /nfs/dbraw/zinc/82/84/98/1118828498.db2.gz YAJSNPNZBLDJER-CJNGLKHVSA-N 1 0 343.431 2.747 20 10 EFCDRO Cc1nc(C)c(C)c(N2CC=C(CCNC(=O)c3cc[nH]c3)CC2)n1 ZINC001089867852 1118921189 /nfs/dbraw/zinc/92/11/89/1118921189.db2.gz SZDXSUJNJMOLQZ-UHFFFAOYSA-N 1 0 339.443 2.687 20 10 EFCDRO C[C@H]([NH2+]CCNC(=O)c1ccco1)c1cc2c(cc1O)CCCC2 ZINC000184917219 1119618535 /nfs/dbraw/zinc/61/85/35/1119618535.db2.gz GHUBJIFNCLMYEA-ZDUSSCGKSA-N 1 0 328.412 2.945 20 10 EFCDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000185091135 1119723005 /nfs/dbraw/zinc/72/30/05/1119723005.db2.gz WJIJYQXYZQYXME-UHFFFAOYSA-N 1 0 346.452 2.530 20 10 EFCDRO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC000945220657 1120679456 /nfs/dbraw/zinc/67/94/56/1120679456.db2.gz HEIMESJQLDPBKR-SWLSCSKDSA-N 1 0 331.420 2.698 20 10 EFCDRO C[C@@H]1C[N@H+](CC2CC2)CC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945223769 1120682430 /nfs/dbraw/zinc/68/24/30/1120682430.db2.gz QEYOOODLQRKDOW-WBMJQRKESA-N 1 0 343.431 2.699 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC000945227317 1120685304 /nfs/dbraw/zinc/68/53/04/1120685304.db2.gz XYHGHZFZFXMQQO-XJKSGUPXSA-N 1 0 345.447 2.945 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cnn(C)c1 ZINC000165169837 529627031 /nfs/dbraw/zinc/62/70/31/529627031.db2.gz QTMLJHOUFLTLTK-KRWDZBQOSA-N 1 0 332.423 2.637 20 10 EFCDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000262717455 240364316 /nfs/dbraw/zinc/36/43/16/240364316.db2.gz DVIARLBOHNRVPT-SGTLLEGYSA-N 1 0 329.419 2.961 20 10 EFCDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000262717452 240365441 /nfs/dbraw/zinc/36/54/41/240365441.db2.gz DVIARLBOHNRVPT-KZULUSFZSA-N 1 0 329.419 2.961 20 10 EFCDRO CC[C@H]([NH2+][C@@H](C)C[S@](C)=O)c1cc(Br)ccc1O ZINC000183861591 201037852 /nfs/dbraw/zinc/03/78/52/201037852.db2.gz BSYXDILSKIPLNI-BMKPQVEQSA-N 1 0 334.279 2.962 20 10 EFCDRO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(N2CCOCC2)cc1 ZINC000161719755 239076192 /nfs/dbraw/zinc/07/61/92/239076192.db2.gz HLAVVFRHWJWBIG-MRXNPFEDSA-N 1 0 346.471 2.860 20 10 EFCDRO C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000163489190 239104550 /nfs/dbraw/zinc/10/45/50/239104550.db2.gz QQGVHFHPABTVDW-KRWDZBQOSA-N 1 0 345.487 2.576 20 10 EFCDRO Cn1cc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000174621667 239235763 /nfs/dbraw/zinc/23/57/63/239235763.db2.gz JCMSKFHAIUIOAQ-CQSZACIVSA-N 1 0 336.386 2.780 20 10 EFCDRO COCC[N@H+](Cc1ccc(C)o1)Cc1cc(OC)c(OC)cc1O ZINC000180498335 239493808 /nfs/dbraw/zinc/49/38/08/239493808.db2.gz KETJAOPGHHMVLG-UHFFFAOYSA-N 1 0 335.400 2.959 20 10 EFCDRO C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180702230 239497419 /nfs/dbraw/zinc/49/74/19/239497419.db2.gz DEDBIMSELDNVIB-IBSDAUMUSA-N 1 0 332.444 2.594 20 10 EFCDRO O=C1[C@@H]([NH2+]Cc2ccccc2O)CCCN1Cc1ccc(F)cc1F ZINC000190475449 239919240 /nfs/dbraw/zinc/91/92/40/239919240.db2.gz MRDARQFPVMFHRF-KRWDZBQOSA-N 1 0 346.377 2.951 20 10 EFCDRO C[C@@H](O)[C@@](C)(C[NH2+]Cc1cc2c(cc1O)OCO2)Cc1ccccc1 ZINC000191709387 240002485 /nfs/dbraw/zinc/00/24/85/240002485.db2.gz KLBIWXMWGHSFBY-JLTOFOAXSA-N 1 0 343.423 2.840 20 10 EFCDRO C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCS1 ZINC000192169480 240028520 /nfs/dbraw/zinc/02/85/20/240028520.db2.gz MTYYCJXWWCLRSN-OAHLLOKOSA-N 1 0 335.517 2.538 20 10 EFCDRO COc1cccc(C[NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2=O)c1O ZINC000191801416 240008121 /nfs/dbraw/zinc/00/81/21/240008121.db2.gz PRDUASDQVVZGJR-QGZVFWFLSA-N 1 0 340.423 2.600 20 10 EFCDRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(F)ccc3O)C2=O)cc1 ZINC000191808707 240008514 /nfs/dbraw/zinc/00/85/14/240008514.db2.gz CKZLICVJWFMKCU-KRWDZBQOSA-N 1 0 328.387 2.730 20 10 EFCDRO C[C@H]([NH3+])CCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000193320962 240095648 /nfs/dbraw/zinc/09/56/48/240095648.db2.gz GUKKSBGBYUDQIM-QWHCGFSZSA-N 1 0 341.402 2.500 20 10 EFCDRO COc1cc(N2CC[NH+](C[C@H]3CCC=CO3)CC2)cc(OC)c1OC ZINC000194676860 240171974 /nfs/dbraw/zinc/17/19/74/240171974.db2.gz UPAAQDLVTYBVQH-MRXNPFEDSA-N 1 0 348.443 2.527 20 10 EFCDRO C[C@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000237531798 240244399 /nfs/dbraw/zinc/24/43/99/240244399.db2.gz UHUAYPXFHPSREA-JXFKEZNVSA-N 1 0 337.467 2.981 20 10 EFCDRO C[C@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000237563835 240246599 /nfs/dbraw/zinc/24/65/99/240246599.db2.gz UHUAYPXFHPSREA-OXJNMPFZSA-N 1 0 337.467 2.981 20 10 EFCDRO Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c(C)n1-c1ccccn1 ZINC000237758951 240246998 /nfs/dbraw/zinc/24/69/98/240246998.db2.gz SRDLDMOKHGJJEY-DOTOQJQBSA-N 1 0 326.444 2.736 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000236919311 240236052 /nfs/dbraw/zinc/23/60/52/240236052.db2.gz AJBHXFDOJVJBGK-GWCFXTLKSA-N 1 0 341.249 2.631 20 10 EFCDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000236727383 240236676 /nfs/dbraw/zinc/23/66/76/240236676.db2.gz IQYWFJOFWOOATN-UHFFFAOYSA-N 1 0 348.468 2.510 20 10 EFCDRO CCCOc1ccc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)c(O)c1 ZINC000236806738 240236776 /nfs/dbraw/zinc/23/67/76/240236776.db2.gz RTVHTNDOIDCICM-UHFFFAOYSA-N 1 0 334.460 2.918 20 10 EFCDRO COc1cccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)c1O ZINC000237365618 240242364 /nfs/dbraw/zinc/24/23/64/240242364.db2.gz FKKJNHUAAIWKJT-UHFFFAOYSA-N 1 0 327.428 2.550 20 10 EFCDRO CCOCc1cc(C[NH2+]C2CCC(NC(C)=O)CC2)ccc1OC ZINC000263643983 240388132 /nfs/dbraw/zinc/38/81/32/240388132.db2.gz ASGMYMNKDSFSNP-UHFFFAOYSA-N 1 0 334.460 2.769 20 10 EFCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000263724826 240389528 /nfs/dbraw/zinc/38/95/28/240389528.db2.gz WXMSVDHVYPTOFA-UONOGXRCSA-N 1 0 325.250 2.871 20 10 EFCDRO Cc1ccc([C@H](O)C[NH2+]Cc2cc(Br)ccc2O)o1 ZINC000266052122 240472196 /nfs/dbraw/zinc/47/21/96/240472196.db2.gz VIGBBCATTAHRLA-CYBMUJFWSA-N 1 0 326.190 2.879 20 10 EFCDRO Cc1cc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c(C)n1-c1ccccn1 ZINC000286114949 240977928 /nfs/dbraw/zinc/97/79/28/240977928.db2.gz OFEWPQZADKQDNP-RVZJWNSFSA-N 1 0 326.444 2.605 20 10 EFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1 ZINC000291624258 241027430 /nfs/dbraw/zinc/02/74/30/241027430.db2.gz RUUVGLOVZKAFHI-LBPRGKRZSA-N 1 0 330.350 2.591 20 10 EFCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c(O)c1 ZINC000294262529 241038262 /nfs/dbraw/zinc/03/82/62/241038262.db2.gz LMFLFSWPIPCJTE-UKRRQHHQSA-N 1 0 346.393 2.923 20 10 EFCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000295939567 241070233 /nfs/dbraw/zinc/07/02/33/241070233.db2.gz KWGXHSGJWIIGOF-LRDDRELGSA-N 1 0 346.452 2.638 20 10 EFCDRO COCCOC1(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)CCOCC1 ZINC000296361791 241082179 /nfs/dbraw/zinc/08/21/79/241082179.db2.gz IUUZBPCAZPLUPV-MRXNPFEDSA-N 1 0 337.460 2.872 20 10 EFCDRO O=C1[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CCCN1Cc1ccccn1 ZINC000296498350 241089320 /nfs/dbraw/zinc/08/93/20/241089320.db2.gz PZZDHEJGOXSALV-DLBZAZTESA-N 1 0 337.423 2.555 20 10 EFCDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296638432 241093051 /nfs/dbraw/zinc/09/30/51/241093051.db2.gz CHNUNPARQJVJAU-KDOFPFPSSA-N 1 0 343.496 2.999 20 10 EFCDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296638418 241093274 /nfs/dbraw/zinc/09/32/74/241093274.db2.gz CHNUNPARQJVJAU-KBXCAEBGSA-N 1 0 343.496 2.999 20 10 EFCDRO O=C(NCCC[NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(F)cc1 ZINC000296923394 241103454 /nfs/dbraw/zinc/10/34/54/241103454.db2.gz PTTKGGSCGJULMQ-MRXNPFEDSA-N 1 0 328.387 2.928 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1cc2c(cc1O)CCCC2 ZINC000297321056 241117468 /nfs/dbraw/zinc/11/74/68/241117468.db2.gz NIHCUEWZVVATJO-MAUKXSAKSA-N 1 0 332.488 2.768 20 10 EFCDRO COc1cc(O)c(C[NH+]2CC(COc3ccccc3)C2)cc1OC ZINC000297323961 241118162 /nfs/dbraw/zinc/11/81/62/241118162.db2.gz DHFSLOPESZXZLY-UHFFFAOYSA-N 1 0 329.396 2.920 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1cc2c(cc1O)CCCC2 ZINC000297321064 241118307 /nfs/dbraw/zinc/11/83/07/241118307.db2.gz NIHCUEWZVVATJO-YJBOKZPZSA-N 1 0 332.488 2.768 20 10 EFCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@]1(O)CCOC1 ZINC000294695844 241049313 /nfs/dbraw/zinc/04/93/13/241049313.db2.gz ITSNWSHKMHDNAW-AZUAARDMSA-N 1 0 327.424 2.807 20 10 EFCDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1O)c1ccc(F)cc1 ZINC000299555745 241180796 /nfs/dbraw/zinc/18/07/96/241180796.db2.gz YQMRHESGJIAYJD-INIZCTEOSA-N 1 0 331.391 2.633 20 10 EFCDRO Oc1cccc2c1[C@@H]([NH2+]CCCc1nnc3n1CCCCC3)CC2 ZINC000297710030 241131829 /nfs/dbraw/zinc/13/18/29/241131829.db2.gz MROSZAOXXUWKRL-HNNXBMFYSA-N 1 0 326.444 2.920 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc(N(C)C)cc1 ZINC000324288012 241205426 /nfs/dbraw/zinc/20/54/26/241205426.db2.gz MPLZNJKHRDVFPQ-KDOFPFPSSA-N 1 0 328.460 2.670 20 10 EFCDRO O=C1[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CCN1Cc1ccccc1 ZINC000363118822 242271251 /nfs/dbraw/zinc/27/12/51/242271251.db2.gz DKOAMKGVVRNVSL-INIZCTEOSA-N 1 0 330.815 2.936 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccccc1O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000363256843 242274918 /nfs/dbraw/zinc/27/49/18/242274918.db2.gz PSVNTLCHWOQPQO-UZLBHIALSA-N 1 0 326.440 2.771 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1cc2c(cc1O)CCCC2 ZINC000363866858 242283860 /nfs/dbraw/zinc/28/38/60/242283860.db2.gz JKKIUWOYSHRUEP-YOEHRIQHSA-N 1 0 340.471 2.934 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc(Cl)ccc1O ZINC000363853275 242283973 /nfs/dbraw/zinc/28/39/73/242283973.db2.gz KHDKHBVTCATUQX-ABAIWWIYSA-N 1 0 335.835 2.963 20 10 EFCDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)n1 ZINC000366026379 242339716 /nfs/dbraw/zinc/33/97/16/242339716.db2.gz UOPQMKJLGGVRCB-UHFFFAOYSA-N 1 0 336.779 2.987 20 10 EFCDRO O[C@@H]1CCC[C@H]1[NH+]1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000367460675 242382695 /nfs/dbraw/zinc/38/26/95/242382695.db2.gz GYXQNVWRQLGCKB-NHCUHLMSSA-N 1 0 343.515 2.708 20 10 EFCDRO COc1cccc(CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1O ZINC000072293211 203196018 /nfs/dbraw/zinc/19/60/18/203196018.db2.gz OYTBTCWPDKCBSD-CYBMUJFWSA-N 1 0 349.456 2.564 20 10 EFCDRO COc1cccc(CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1O ZINC000175015861 533501627 /nfs/dbraw/zinc/50/16/27/533501627.db2.gz KROMZLZULRJRQB-OAHLLOKOSA-N 1 0 337.464 2.566 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000163944370 533508443 /nfs/dbraw/zinc/50/84/43/533508443.db2.gz JQRKEGUUPPKJIC-KGLIPLIRSA-N 1 0 332.423 2.808 20 10 EFCDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000160967003 533584006 /nfs/dbraw/zinc/58/40/06/533584006.db2.gz SDYIDYRRXRDHRV-HNNXBMFYSA-N 1 0 341.455 2.728 20 10 EFCDRO C[C@@H]([NH3+])c1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000423433204 286926496 /nfs/dbraw/zinc/92/64/96/286926496.db2.gz PGONYCPTWDYYGU-CYBMUJFWSA-N 1 0 325.412 2.812 20 10 EFCDRO C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000273452804 298465724 /nfs/dbraw/zinc/46/57/24/298465724.db2.gz GIXZVYPZNVCSNL-JJQCHNSYSA-N 1 0 334.279 2.962 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000047106241 544447282 /nfs/dbraw/zinc/44/72/82/544447282.db2.gz CVDJLDQFOJZEOX-QZTJIDSGSA-N 1 0 330.476 2.521 20 10 EFCDRO CN(C)C(=O)COc1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000113324112 544569886 /nfs/dbraw/zinc/56/98/86/544569886.db2.gz YEJZMNSZNPLIFF-UHFFFAOYSA-N 1 0 348.830 2.802 20 10 EFCDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000153508681 544734314 /nfs/dbraw/zinc/73/43/14/544734314.db2.gz DFPVCQMOGYUFSZ-KRWDZBQOSA-N 1 0 342.487 2.736 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1OC ZINC000271789944 277833368 /nfs/dbraw/zinc/83/33/68/277833368.db2.gz GNPCXUKFASADDW-CXAGYDPISA-N 1 0 339.457 2.554 20 10 EFCDRO CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000296123311 278108091 /nfs/dbraw/zinc/10/80/91/278108091.db2.gz VMDVOZTZTGAIIG-MRXNPFEDSA-N 1 0 331.437 2.714 20 10 EFCDRO CC[C@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)C(=O)N1CCOCC1 ZINC000185665265 280967808 /nfs/dbraw/zinc/96/78/08/280967808.db2.gz GNUANOKGFZGLHY-KDOFPFPSSA-N 1 0 346.471 2.559 20 10 EFCDRO CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)c1ccccc1O ZINC000095940781 473226004 /nfs/dbraw/zinc/22/60/04/473226004.db2.gz IUXXSQICYQPXGD-INIZCTEOSA-N 1 0 334.441 2.541 20 10 EFCDRO CC(C)[NH2+]C1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000111845396 473231187 /nfs/dbraw/zinc/23/11/87/473231187.db2.gz BXGMNTMSFMRXTJ-UHFFFAOYSA-N 1 0 344.503 2.741 20 10 EFCDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000184947342 473281886 /nfs/dbraw/zinc/28/18/86/473281886.db2.gz CVPXRAHHKZZQOJ-PIGZYNQJSA-N 1 0 335.375 2.933 20 10 EFCDRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000184979169 473290809 /nfs/dbraw/zinc/29/08/09/473290809.db2.gz AXJLQMYSQKTJNI-LLVKDONJSA-N 1 0 346.880 2.510 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000184991964 473294781 /nfs/dbraw/zinc/29/47/81/473294781.db2.gz SWIBOQUYTRMZNW-QFBILLFUSA-N 1 0 340.467 2.770 20 10 EFCDRO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185029046 473305481 /nfs/dbraw/zinc/30/54/81/473305481.db2.gz ORYMOXZWQBGUNB-VXGBXAGGSA-N 1 0 343.265 2.526 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1 ZINC000185140584 473340665 /nfs/dbraw/zinc/34/06/65/473340665.db2.gz HIADCLPWKMNVJM-MAUKXSAKSA-N 1 0 336.501 2.559 20 10 EFCDRO C[C@H]([NH2+]CCCC(=O)N(C)C)c1cc(Br)ccc1O ZINC000185193704 473357928 /nfs/dbraw/zinc/35/79/28/473357928.db2.gz VZVQCAWOUCYXKQ-JTQLQIEISA-N 1 0 329.238 2.674 20 10 EFCDRO Oc1ccc(Br)cc1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000227435399 474245693 /nfs/dbraw/zinc/24/56/93/474245693.db2.gz MTDUILWICYCHJD-AWEZNQCLSA-N 1 0 344.249 2.830 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000349606753 475977714 /nfs/dbraw/zinc/97/77/14/475977714.db2.gz BPIGDOKDWJFFDN-CXAGYDPISA-N 1 0 340.471 2.769 20 10 EFCDRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N(CC3CC3)c3cccc(F)c3)c21 ZINC000602578240 479407038 /nfs/dbraw/zinc/40/70/38/479407038.db2.gz MCDAONRJBMHKIL-AWEZNQCLSA-N 1 0 342.418 2.915 20 10 EFCDRO CCOc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)ccc1O ZINC000067222296 472006907 /nfs/dbraw/zinc/00/69/07/472006907.db2.gz YCPXVEIOCRAVSF-UHFFFAOYSA-N 1 0 342.439 2.917 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C(C)C)C1CCCC1)cc2=O ZINC000068449330 472192412 /nfs/dbraw/zinc/19/24/12/472192412.db2.gz ZGNOAGRFWHDZMD-UHFFFAOYSA-N 1 0 346.431 2.765 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CC[NH+](CC)CC1 ZINC000043293167 472219401 /nfs/dbraw/zinc/21/94/01/472219401.db2.gz RUDAMVDURWIBNE-UHFFFAOYSA-N 1 0 332.492 2.768 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000075957982 472227392 /nfs/dbraw/zinc/22/73/92/472227392.db2.gz AIQLBVSOBJZCMK-LJQANCHMSA-N 1 0 344.503 2.913 20 10 EFCDRO CC[N@H+](CC(=O)NCC1CC1)Cc1cc(Br)ccc1O ZINC000076118527 472276791 /nfs/dbraw/zinc/27/67/91/472276791.db2.gz LILYVXHOZIPFNY-UHFFFAOYSA-N 1 0 341.249 2.503 20 10 EFCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000088511011 472369387 /nfs/dbraw/zinc/36/93/87/472369387.db2.gz DBWYHZSAHFRXGF-HNNXBMFYSA-N 1 0 332.350 2.908 20 10 EFCDRO COc1cccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1O ZINC000154870615 472481443 /nfs/dbraw/zinc/48/14/43/472481443.db2.gz VDVYLVFVZIRDLQ-UHFFFAOYSA-N 1 0 336.432 2.890 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000154899953 472484344 /nfs/dbraw/zinc/48/43/44/472484344.db2.gz HZKWWHSZDZCXDE-CQSZACIVSA-N 1 0 336.432 2.890 20 10 EFCDRO C[C@H]1SCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000118533870 472497463 /nfs/dbraw/zinc/49/74/63/472497463.db2.gz RUVCCAXCIAVGAT-LSDHHAIUSA-N 1 0 335.517 2.537 20 10 EFCDRO CCOc1cccc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1O ZINC000058179146 472512814 /nfs/dbraw/zinc/51/28/14/472512814.db2.gz WCZHPQCDBQPCGI-GFCCVEGCSA-N 1 0 332.366 2.765 20 10 EFCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1O ZINC000058179143 472513652 /nfs/dbraw/zinc/51/36/52/472513652.db2.gz WCZHPQCDBQPCGI-LBPRGKRZSA-N 1 0 332.366 2.765 20 10 EFCDRO CC[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccccc1O ZINC000155338200 472533306 /nfs/dbraw/zinc/53/33/06/472533306.db2.gz UAWGCLIEBXTMNV-QGZVFWFLSA-N 1 0 348.468 2.553 20 10 EFCDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(C)cc1)c1ccccc1O ZINC000155387758 472541137 /nfs/dbraw/zinc/54/11/37/472541137.db2.gz IBEHNXSTDAVMPC-QGZVFWFLSA-N 1 0 348.468 2.720 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000129491963 472548518 /nfs/dbraw/zinc/54/85/18/472548518.db2.gz TWYZMTOVPMAJNJ-UHFFFAOYSA-N 1 0 332.366 2.861 20 10 EFCDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCCSc1nccs1 ZINC000089937321 472552459 /nfs/dbraw/zinc/55/24/59/472552459.db2.gz ZFGPSMCPEBWNGJ-STQMWFEESA-N 1 0 342.534 2.607 20 10 EFCDRO CC[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccccc1O ZINC000155558831 472568849 /nfs/dbraw/zinc/56/88/49/472568849.db2.gz CQBXOBRHEYKYEC-KRWDZBQOSA-N 1 0 328.412 2.959 20 10 EFCDRO C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000119637557 472572225 /nfs/dbraw/zinc/57/22/25/472572225.db2.gz DPSNNIQHLJFRQV-INIZCTEOSA-N 1 0 329.488 2.801 20 10 EFCDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000102416422 472576832 /nfs/dbraw/zinc/57/68/32/472576832.db2.gz QZDNGICMRJPJIX-GJZGRUSLSA-N 1 0 333.476 2.557 20 10 EFCDRO CCC(C)(C)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000102634162 472586108 /nfs/dbraw/zinc/58/61/08/472586108.db2.gz CJQOLZRIRTYXNP-UHFFFAOYSA-N 1 0 347.503 2.760 20 10 EFCDRO Cc1ccc(CN(C)CC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000102774059 472593166 /nfs/dbraw/zinc/59/31/66/472593166.db2.gz GZCCVWNJNCSNBL-UHFFFAOYSA-N 1 0 331.485 2.871 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090455690 472620069 /nfs/dbraw/zinc/62/00/69/472620069.db2.gz GOAVVGNBTIRJMW-BBRMVZONSA-N 1 0 344.434 2.594 20 10 EFCDRO COc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1O ZINC000130693288 472623637 /nfs/dbraw/zinc/62/36/37/472623637.db2.gz BHKNAGLQZKXLJT-HNNXBMFYSA-N 1 0 349.475 2.568 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000090591775 472640704 /nfs/dbraw/zinc/64/07/04/472640704.db2.gz SUCLGHOFWAJXOE-WFASDCNBSA-N 1 0 343.393 2.957 20 10 EFCDRO CCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000156559832 472724748 /nfs/dbraw/zinc/72/47/48/472724748.db2.gz GPVFUDSWQMZUIR-RDJZCZTQSA-N 1 0 335.467 2.797 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H]2CC(C)(C)OC2(C)C)cc1 ZINC000132606577 472743817 /nfs/dbraw/zinc/74/38/17/472743817.db2.gz XYGCVSFXUNQGTN-KRWDZBQOSA-N 1 0 347.503 2.647 20 10 EFCDRO O=S1(=O)CC[C@@H](N(Cc2ccc(N3CCCCC3)cc2)C2CC2)C1 ZINC000157002052 472775602 /nfs/dbraw/zinc/77/56/02/472775602.db2.gz QDBJBZUSNLGMMY-LJQANCHMSA-N 1 0 348.512 2.828 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1O ZINC000121088842 472797300 /nfs/dbraw/zinc/79/73/00/472797300.db2.gz PCJBUPKJMFNHNZ-QGZVFWFLSA-N 1 0 348.468 2.883 20 10 EFCDRO CCCOc1ccc(C[NH+]2CCC(c3nncn3C)CC2)c(O)c1 ZINC000091795423 472808953 /nfs/dbraw/zinc/80/89/53/472808953.db2.gz RNKRIANUZIBLQD-UHFFFAOYSA-N 1 0 330.432 2.689 20 10 EFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)C(F)(F)F ZINC000121399704 472846352 /nfs/dbraw/zinc/84/63/52/472846352.db2.gz DSTWITQNJTYJNL-LLVKDONJSA-N 1 0 342.155 2.900 20 10 EFCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c(O)c1 ZINC000092070605 472849874 /nfs/dbraw/zinc/84/98/74/472849874.db2.gz VQBUNXNCAHKFOK-OAHLLOKOSA-N 1 0 330.432 2.685 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1F ZINC000092188638 472871722 /nfs/dbraw/zinc/87/17/22/472871722.db2.gz WSQZNNRUNYMEQB-MRXNPFEDSA-N 1 0 348.466 2.662 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCN(c3cnccn3)CC2)cc1 ZINC000157947678 472876775 /nfs/dbraw/zinc/87/67/75/472876775.db2.gz OYWRLGVNDYCJKX-UHFFFAOYSA-N 1 0 325.460 2.645 20 10 EFCDRO COc1ccc(N2CCC[N@H+](Cc3cc(C(N)=O)cs3)CC2)cc1 ZINC000092380841 472904175 /nfs/dbraw/zinc/90/41/75/472904175.db2.gz BWARXFJENMFGLD-UHFFFAOYSA-N 1 0 345.468 2.568 20 10 EFCDRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000092585296 472941072 /nfs/dbraw/zinc/94/10/72/472941072.db2.gz YJVYIPZRDLAFPF-CQSZACIVSA-N 1 0 347.484 2.593 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1C ZINC000093134061 473049559 /nfs/dbraw/zinc/04/95/59/473049559.db2.gz KYSCTSNEJWBBHF-HNNXBMFYSA-N 1 0 326.444 2.926 20 10 EFCDRO COc1ccc(OC)c(C[N@H+](CCO)Cc2cc(C)ccc2O)c1 ZINC000093361552 473095605 /nfs/dbraw/zinc/09/56/05/473095605.db2.gz ICTJIZCCUASODT-UHFFFAOYSA-N 1 0 331.412 2.712 20 10 EFCDRO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)NC(C)(C)C)CC2)cc1 ZINC000052466387 473109694 /nfs/dbraw/zinc/10/96/94/473109694.db2.gz FSQAFZWQKLOLDE-OAHLLOKOSA-N 1 0 333.476 2.511 20 10 EFCDRO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466705 473110037 /nfs/dbraw/zinc/11/00/37/473110037.db2.gz PGZHNOOMKPZYLX-CVEARBPZSA-N 1 0 333.476 2.511 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1OC ZINC000160404990 473119018 /nfs/dbraw/zinc/11/90/18/473119018.db2.gz YKMGAMGEDFMODZ-HIFRSBDPSA-N 1 0 331.416 2.689 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC3(CC2)[C@H](OCC)C[C@@H]3O)c1O ZINC000093613660 473125291 /nfs/dbraw/zinc/12/52/91/473125291.db2.gz UOQQSOPEZGBNDL-DLBZAZTESA-N 1 0 335.444 2.543 20 10 EFCDRO CCOc1ccc(O)c(C[NH+]2CCC(N3CCCCC3=O)CC2)c1 ZINC000093741774 473138629 /nfs/dbraw/zinc/13/86/29/473138629.db2.gz LLJWWHXSZJMDIM-UHFFFAOYSA-N 1 0 332.444 2.768 20 10 EFCDRO Cc1cc2ncn(C[C@H](O)C[N@@H+](C)Cc3ccccc3O)c2cc1C ZINC000111235766 473197741 /nfs/dbraw/zinc/19/77/41/473197741.db2.gz ZVRXYZAMKCMRTN-QGZVFWFLSA-N 1 0 339.439 2.852 20 10 EFCDRO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+](C)Cc1ccccc1O ZINC000111235637 473197837 /nfs/dbraw/zinc/19/78/37/473197837.db2.gz VJPQWCXKQHAQJE-RHSMWYFYSA-N 1 0 340.423 2.853 20 10 EFCDRO CN(CCOc1ccccc1F)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000111236369 473197953 /nfs/dbraw/zinc/19/79/53/473197953.db2.gz WKHDGVJLXMJIOA-UHFFFAOYSA-N 1 0 346.402 2.501 20 10 EFCDRO COc1ccccc1CN(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000137207953 473198500 /nfs/dbraw/zinc/19/85/00/473198500.db2.gz ONURLYWWQRKGJR-UHFFFAOYSA-N 1 0 341.455 2.509 20 10 EFCDRO CCOc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2O)cc1 ZINC000111236019 473198467 /nfs/dbraw/zinc/19/84/67/473198467.db2.gz UUKIDLKHICFNQS-MRXNPFEDSA-N 1 0 331.412 2.663 20 10 EFCDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc3c(cc1O)CCCC3)CC2 ZINC000185317917 473392218 /nfs/dbraw/zinc/39/22/18/473392218.db2.gz TZUFZLQCGUIKRK-MLGOLLRUSA-N 1 0 326.444 2.837 20 10 EFCDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000151063107 473403142 /nfs/dbraw/zinc/40/31/42/473403142.db2.gz QQLKMVZEGOBJNT-CQSZACIVSA-N 1 0 326.444 2.781 20 10 EFCDRO C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185392968 473414696 /nfs/dbraw/zinc/41/46/96/473414696.db2.gz ROIRXGGENSJVOH-RYUDHWBXSA-N 1 0 346.302 2.986 20 10 EFCDRO C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185393023 473414903 /nfs/dbraw/zinc/41/49/03/473414903.db2.gz ROIRXGGENSJVOH-VXGBXAGGSA-N 1 0 346.302 2.986 20 10 EFCDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000185487582 473439861 /nfs/dbraw/zinc/43/98/61/473439861.db2.gz ANKPXDAFYUNUKQ-VOJFVSQTSA-N 1 0 335.375 2.933 20 10 EFCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000191123724 473484914 /nfs/dbraw/zinc/48/49/14/473484914.db2.gz OPUWKBDNTLTASI-LBPRGKRZSA-N 1 0 342.842 2.775 20 10 EFCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H](c1ccccc1)N(C)C ZINC000185680077 473487374 /nfs/dbraw/zinc/48/73/74/473487374.db2.gz LGNVSDPYPFRQHW-BFUOFWGJSA-N 1 0 328.412 2.902 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)c1 ZINC000185686793 473488656 /nfs/dbraw/zinc/48/86/56/473488656.db2.gz GBJYBAIOXGQRRP-QWHCGFSZSA-N 1 0 331.391 2.864 20 10 EFCDRO CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000191202314 473505858 /nfs/dbraw/zinc/50/58/58/473505858.db2.gz OIQZZOMZEPGCBT-AWEZNQCLSA-N 1 0 341.446 2.739 20 10 EFCDRO C/C=C(\CC)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000191557902 473554398 /nfs/dbraw/zinc/55/43/98/473554398.db2.gz RXXFFSCHPJHKRB-AYSLTRBKSA-N 1 0 333.451 2.940 20 10 EFCDRO C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000152405264 473557907 /nfs/dbraw/zinc/55/79/07/473557907.db2.gz YPFHRAHNIDLRGB-HOTGVXAUSA-N 1 0 347.478 2.797 20 10 EFCDRO CC[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccccc1O ZINC000170599626 473560459 /nfs/dbraw/zinc/56/04/59/473560459.db2.gz PDZGBZPOZDNHLT-QGZVFWFLSA-N 1 0 327.428 2.865 20 10 EFCDRO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185970888 473562014 /nfs/dbraw/zinc/56/20/14/473562014.db2.gz OGFDVXGRABUDFR-ZDUSSCGKSA-N 1 0 336.457 2.524 20 10 EFCDRO Cc1cc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)c(C)n1-c1ccccn1 ZINC000178848272 473576353 /nfs/dbraw/zinc/57/63/53/473576353.db2.gz ZCIMSNJKPQDIDN-CQSZACIVSA-N 1 0 326.444 2.689 20 10 EFCDRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3cc(Cl)ccc3O)C2=O)n(C)n1 ZINC000186083066 473586681 /nfs/dbraw/zinc/58/66/81/473586681.db2.gz RCUWAQXPWJRCFK-RISCZKNCSA-N 1 0 348.834 2.544 20 10 EFCDRO COc1cccc(C[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1O ZINC000152734067 473591504 /nfs/dbraw/zinc/59/15/04/473591504.db2.gz HPIBCWCYBCOKRN-CQSZACIVSA-N 1 0 349.452 2.661 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc(F)ccc1O ZINC000186144704 473599751 /nfs/dbraw/zinc/59/97/51/473599751.db2.gz HRVULQDTYMUXDU-JOYOIKCWSA-N 1 0 334.313 2.735 20 10 EFCDRO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc2ccccc2c1O ZINC000186168733 473605342 /nfs/dbraw/zinc/60/53/42/473605342.db2.gz KFQHKTZGQBUWQE-DZGCQCFKSA-N 1 0 348.468 2.620 20 10 EFCDRO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc2ccccc2c1O ZINC000186168752 473606822 /nfs/dbraw/zinc/60/68/22/473606822.db2.gz KFQHKTZGQBUWQE-UKRRQHHQSA-N 1 0 348.468 2.620 20 10 EFCDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000186223378 473620600 /nfs/dbraw/zinc/62/06/00/473620600.db2.gz NTZDBLMOJZKIRM-VIFPVBQESA-N 1 0 329.238 2.578 20 10 EFCDRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000186353762 473657802 /nfs/dbraw/zinc/65/78/02/473657802.db2.gz PWOQCVXTCCIAAN-SNVBAGLBSA-N 1 0 343.265 2.968 20 10 EFCDRO C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(Cl)ccc1O ZINC000186375153 473663456 /nfs/dbraw/zinc/66/34/56/473663456.db2.gz NOSFBYKNYGWRKC-YPMHNXCESA-N 1 0 327.808 2.618 20 10 EFCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000186433475 473674138 /nfs/dbraw/zinc/67/41/38/473674138.db2.gz NIMKGFIXYPTROX-HOCLYGCPSA-N 1 0 346.471 2.800 20 10 EFCDRO COc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000179472716 473689771 /nfs/dbraw/zinc/68/97/71/473689771.db2.gz SXAMQJQFUPITBB-AWEZNQCLSA-N 1 0 336.432 2.842 20 10 EFCDRO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000179486400 473690587 /nfs/dbraw/zinc/69/05/87/473690587.db2.gz DEYFLHSSLWBKFK-IBGZPJMESA-N 1 0 327.472 2.920 20 10 EFCDRO Cc1cccc(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)c1O ZINC000179627092 473699052 /nfs/dbraw/zinc/69/90/52/473699052.db2.gz IFGNXRZHLWBXMR-UHFFFAOYSA-N 1 0 336.439 2.666 20 10 EFCDRO CCCOc1ccc(CN2CC[NH+](CC3CCOCC3)CC2)c(O)c1 ZINC000179627302 473699457 /nfs/dbraw/zinc/69/94/57/473699457.db2.gz VHKRYXSREAQNII-UHFFFAOYSA-N 1 0 348.487 2.725 20 10 EFCDRO CC[C@H]([NH2+]CCCN1CCC(O)CC1)c1cccc(Cl)c1[O-] ZINC000287578058 473699887 /nfs/dbraw/zinc/69/98/87/473699887.db2.gz HFEMFFLOIHHSBE-INIZCTEOSA-N 1 0 326.868 2.933 20 10 EFCDRO C[C@@H](c1ccccc1)[N@H+](CCCS(N)(=O)=O)Cc1ccccc1O ZINC000179648928 473703283 /nfs/dbraw/zinc/70/32/83/473703283.db2.gz HAUMPCBBSSTIPL-HNNXBMFYSA-N 1 0 348.468 2.634 20 10 EFCDRO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000179671705 473706218 /nfs/dbraw/zinc/70/62/18/473706218.db2.gz XRCWWFLEYWNBED-HNNXBMFYSA-N 1 0 334.803 2.919 20 10 EFCDRO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000281438466 473721375 /nfs/dbraw/zinc/72/13/75/473721375.db2.gz RYILHBBAUMPHAP-UHFFFAOYSA-N 1 0 328.460 2.899 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)c1 ZINC000179820358 473734667 /nfs/dbraw/zinc/73/46/67/473734667.db2.gz OIKXXTNBNJKZNG-UHFFFAOYSA-N 1 0 326.396 2.918 20 10 EFCDRO CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287695907 473736256 /nfs/dbraw/zinc/73/62/56/473736256.db2.gz NJWOSYQBBGSXTQ-XJKSGUPXSA-N 1 0 325.884 2.722 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCN(c3nccs3)CC2)cc1OC ZINC000179849619 473742641 /nfs/dbraw/zinc/74/26/41/473742641.db2.gz WCCBJPKZPSVFCY-UHFFFAOYSA-N 1 0 349.456 2.578 20 10 EFCDRO C[C@@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1cc(F)ccc1O ZINC000287743737 473748938 /nfs/dbraw/zinc/74/89/38/473748938.db2.gz YXAJHKVGIGKIGU-GFCCVEGCSA-N 1 0 342.370 2.868 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)c2C)cc1 ZINC000269260145 473753038 /nfs/dbraw/zinc/75/30/38/473753038.db2.gz IYINUSOGAMMHCF-YJYMSZOUSA-N 1 0 341.455 2.912 20 10 EFCDRO CC[C@H]([NH2+][C@H](CO)CCOC)c1cc(Br)ccc1O ZINC000281547302 473759335 /nfs/dbraw/zinc/75/93/35/473759335.db2.gz IYQFSDKKLKEAHD-AAEUAGOBSA-N 1 0 332.238 2.593 20 10 EFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCSC3(CCOCC3)C2)c1O ZINC000186841255 473767649 /nfs/dbraw/zinc/76/76/49/473767649.db2.gz FBEPGZPMXQXCOO-UHFFFAOYSA-N 1 0 339.432 2.832 20 10 EFCDRO COCC[C@@H](CO)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000281623359 473786140 /nfs/dbraw/zinc/78/61/40/473786140.db2.gz NVXSWXLOZRIXJB-PWSUYJOCSA-N 1 0 332.238 2.511 20 10 EFCDRO COCC[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000281623353 473786181 /nfs/dbraw/zinc/78/61/81/473786181.db2.gz NVXSWXLOZRIXJB-JQWIXIFHSA-N 1 0 332.238 2.511 20 10 EFCDRO Fc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1N1CCOCC1 ZINC000193982441 473824504 /nfs/dbraw/zinc/82/45/04/473824504.db2.gz ORSXVFROPHRKTI-ATZDWAIDSA-N 1 0 346.446 2.710 20 10 EFCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC000180216212 473830635 /nfs/dbraw/zinc/83/06/35/473830635.db2.gz MWLJHLUFCIHRMQ-CYBMUJFWSA-N 1 0 332.350 2.874 20 10 EFCDRO Cc1ccc(O)c(C[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC000180216229 473830708 /nfs/dbraw/zinc/83/07/08/473830708.db2.gz MWLJHLUFCIHRMQ-ZDUSSCGKSA-N 1 0 332.350 2.874 20 10 EFCDRO COc1cccc(C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1O ZINC000180215513 473830760 /nfs/dbraw/zinc/83/07/60/473830760.db2.gz ZSSIGXAKYDGXMI-GFCCVEGCSA-N 1 0 348.349 2.574 20 10 EFCDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187417929 473869257 /nfs/dbraw/zinc/86/92/57/473869257.db2.gz NPELGPOALQFGAC-SNVBAGLBSA-N 1 0 343.265 2.886 20 10 EFCDRO CCc1nsc(N2CCC[N@H+](Cc3cccc(C)c3O)CC2)n1 ZINC000180672084 473937694 /nfs/dbraw/zinc/93/76/94/473937694.db2.gz QSJBLLNRIGJMLF-UHFFFAOYSA-N 1 0 332.473 2.827 20 10 EFCDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180697693 473945336 /nfs/dbraw/zinc/94/53/36/473945336.db2.gz YBWMNCLNVWZWES-RCQQVGEISA-N 1 0 332.444 2.738 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@H]3CC[N@H+](C)C3)c2C)cc1 ZINC000264278459 473958629 /nfs/dbraw/zinc/95/86/29/473958629.db2.gz NDJVZVJXZMBWGY-MRXNPFEDSA-N 1 0 341.455 2.784 20 10 EFCDRO COc1cc(N2CCN(c3cc[nH+]c(C)c3)CC2)cc(OC)c1OC ZINC000274789707 473959789 /nfs/dbraw/zinc/95/97/89/473959789.db2.gz RDGREFTZOHYCMI-UHFFFAOYSA-N 1 0 343.427 2.742 20 10 EFCDRO CCOCc1cc(C[NH2+]CCCCCS(C)(=O)=O)ccc1OC ZINC000274790840 473960477 /nfs/dbraw/zinc/96/04/77/473960477.db2.gz YKVZXIMUSXTVQC-UHFFFAOYSA-N 1 0 343.489 2.536 20 10 EFCDRO O=C1C[C@H]([NH2+]Cc2cc(F)ccc2O)CN1c1c(F)cccc1F ZINC000180904749 473983608 /nfs/dbraw/zinc/98/36/08/473983608.db2.gz RFDCJACKNIROLN-LBPRGKRZSA-N 1 0 336.313 2.705 20 10 EFCDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180933791 473988692 /nfs/dbraw/zinc/98/86/92/473988692.db2.gz PDLGWBYQIBCOSM-TUPIDYKKSA-N 1 0 332.444 2.882 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000181028758 473999971 /nfs/dbraw/zinc/99/99/71/473999971.db2.gz XVEDCBLYYQIVBH-MNDMWVCDSA-N 1 0 330.428 2.588 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000264495098 474014085 /nfs/dbraw/zinc/01/40/85/474014085.db2.gz FNUTVCFIWJDGLS-SJORKVTESA-N 1 0 331.460 2.941 20 10 EFCDRO C[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000181401987 474032696 /nfs/dbraw/zinc/03/26/96/474032696.db2.gz IRSANRVKDYJMCW-INIZCTEOSA-N 1 0 325.456 2.762 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000264564360 474039800 /nfs/dbraw/zinc/03/98/00/474039800.db2.gz GCXGWNZANDEOIY-GOSISDBHSA-N 1 0 330.476 2.522 20 10 EFCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000282445798 474068857 /nfs/dbraw/zinc/06/88/57/474068857.db2.gz LIRNGQLMDACPLJ-WBVHZDCISA-N 1 0 334.460 2.678 20 10 EFCDRO C[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccccc1O ZINC000282473413 474078700 /nfs/dbraw/zinc/07/87/00/474078700.db2.gz LVRTWLZKJMMRHW-HNNXBMFYSA-N 1 0 333.453 2.700 20 10 EFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](CC(N)=O)C2CCCCC2)c1O ZINC000182049751 474089596 /nfs/dbraw/zinc/08/95/96/474089596.db2.gz WPUKCKYXIZWHAR-MRXNPFEDSA-N 1 0 336.407 2.648 20 10 EFCDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000289081722 474142926 /nfs/dbraw/zinc/14/29/26/474142926.db2.gz NWGPYFQEAMDIPR-CRAIPNDOSA-N 1 0 330.476 2.521 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)c1 ZINC000275418140 474178185 /nfs/dbraw/zinc/17/81/85/474178185.db2.gz DKBRAFRVFDCPSW-FUHWJXTLSA-N 1 0 331.416 2.534 20 10 EFCDRO CN(c1ccc(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc1)C1CCCCC1 ZINC000188747365 474184006 /nfs/dbraw/zinc/18/40/06/474184006.db2.gz DLJKGKBPFJMCJO-MAUKXSAKSA-N 1 0 333.451 2.772 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@H](c3cncn3C)C2)c(O)c1 ZINC000275502807 474213064 /nfs/dbraw/zinc/21/30/64/474213064.db2.gz JUGXRBWTDHYCAM-BEFAXECRSA-N 1 0 345.443 2.924 20 10 EFCDRO Cc1cc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c(C)n1-c1ccccn1 ZINC000289300067 474214305 /nfs/dbraw/zinc/21/43/05/474214305.db2.gz RYWFURDCPKRKCR-QAQDUYKDSA-N 1 0 340.471 2.984 20 10 EFCDRO COc1cc(O)c(CNc2c[nH+]ccc2-n2cc(C)cn2)cc1OC ZINC000182668670 474229914 /nfs/dbraw/zinc/22/99/14/474229914.db2.gz VPLOZYQUNFZYQQ-UHFFFAOYSA-N 1 0 340.383 2.911 20 10 EFCDRO COc1cc(O)c(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)cc1OC ZINC000182676958 474231467 /nfs/dbraw/zinc/23/14/67/474231467.db2.gz GORUXAKDBXHCHD-GOSISDBHSA-N 1 0 335.375 2.546 20 10 EFCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCCC[C@@H]3S(C)(=O)=O)ccc21 ZINC000182684894 474233228 /nfs/dbraw/zinc/23/32/28/474233228.db2.gz LWEAWEMRFFHONR-AEFFLSMTSA-N 1 0 336.501 2.514 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)c(O)c1 ZINC000275600149 474248900 /nfs/dbraw/zinc/24/89/00/474248900.db2.gz QHAVVXINTRBYST-RDJZCZTQSA-N 1 0 331.416 2.534 20 10 EFCDRO CCC[N@H+](CC)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000175557879 474249735 /nfs/dbraw/zinc/24/97/35/474249735.db2.gz DAFMOQVNKQDADR-UHFFFAOYSA-N 1 0 330.476 2.594 20 10 EFCDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000289408146 474258879 /nfs/dbraw/zinc/25/88/79/474258879.db2.gz HMGSIWYKXHYYOF-CYBMUJFWSA-N 1 0 344.411 2.916 20 10 EFCDRO C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182875600 474276102 /nfs/dbraw/zinc/27/61/02/474276102.db2.gz WGYZDNUWUFKWJB-ZYUDAIQPSA-N 1 0 344.455 2.880 20 10 EFCDRO COc1cccc(CNC(=O)Nc2ccccc2CC[NH+](C)C)c1O ZINC000275725300 474295924 /nfs/dbraw/zinc/29/59/24/474295924.db2.gz WOCDIMJSXKNPDT-UHFFFAOYSA-N 1 0 343.427 2.827 20 10 EFCDRO CN(CC(=O)NC1CC1)Cc1ccc(OCc2ccccc2)cc1O ZINC000182960720 474296379 /nfs/dbraw/zinc/29/63/79/474296379.db2.gz OEZXKEZIAHRHAN-UHFFFAOYSA-N 1 0 340.423 2.682 20 10 EFCDRO C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000275766782 474309336 /nfs/dbraw/zinc/30/93/36/474309336.db2.gz UJRDRANRYUTCMV-OAHLLOKOSA-N 1 0 335.467 2.797 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3ccccn3)CC2)cc1 ZINC000270896294 474311536 /nfs/dbraw/zinc/31/15/36/474311536.db2.gz IKKNYRWNPJKELM-QGZVFWFLSA-N 1 0 340.471 2.563 20 10 EFCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000265780843 474333889 /nfs/dbraw/zinc/33/38/89/474333889.db2.gz OHEFUVQFNRLJCE-UYAOXDASSA-N 1 0 340.467 2.673 20 10 EFCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]C[C@]1(O)CCSC1 ZINC000183159271 474341178 /nfs/dbraw/zinc/34/11/78/474341178.db2.gz ZZHTYDFIFKAWGS-LJQANCHMSA-N 1 0 345.464 2.929 20 10 EFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237150613 474346146 /nfs/dbraw/zinc/34/61/46/474346146.db2.gz RQIGGSOCUQFKFM-QGZVFWFLSA-N 1 0 339.439 2.958 20 10 EFCDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000189408642 474387635 /nfs/dbraw/zinc/38/76/35/474387635.db2.gz GQCXXEZMVONFHT-NXEZZACHSA-N 1 0 329.238 2.672 20 10 EFCDRO C[C@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)OCCc2sccc21 ZINC000289729549 474399810 /nfs/dbraw/zinc/39/98/10/474399810.db2.gz GRATZCQIRROXPI-QGZVFWFLSA-N 1 0 333.409 2.760 20 10 EFCDRO Cn1ccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000266171562 474422687 /nfs/dbraw/zinc/42/26/87/474422687.db2.gz RJOXGIXGTLLINO-AWEZNQCLSA-N 1 0 336.386 2.780 20 10 EFCDRO CNC(=O)N1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000271192624 474432934 /nfs/dbraw/zinc/43/29/34/474432934.db2.gz QRTHFNDXPZOSDM-UHFFFAOYSA-N 1 0 325.412 2.516 20 10 EFCDRO CCCOc1ccc(C[N@@H+]2CCSC[C@@H]2CC(=O)OC)c(O)c1 ZINC000271204310 474438957 /nfs/dbraw/zinc/43/89/57/474438957.db2.gz QZXNYMIRUMYYQP-AWEZNQCLSA-N 1 0 339.457 2.662 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+](C)CCOCCOCCOC)cc1 ZINC000276172618 474440715 /nfs/dbraw/zinc/44/07/15/474440715.db2.gz JNOYEGYJXABHBM-UHFFFAOYSA-N 1 0 338.492 2.644 20 10 EFCDRO O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000266687050 474447071 /nfs/dbraw/zinc/44/70/71/474447071.db2.gz DTDNWVWSYTWZIC-ROUUACIJSA-N 1 0 343.471 2.697 20 10 EFCDRO Cc1ccc([C@H](CNC(=O)Cc2ccc(N)cc2)[NH+]2CCCC2)o1 ZINC000237917175 474503779 /nfs/dbraw/zinc/50/37/79/474503779.db2.gz ZURCPDLEGKYXQJ-KRWDZBQOSA-N 1 0 327.428 2.666 20 10 EFCDRO COc1c(O)c(C[NH2+][C@H]2c3ccccc3O[C@H]2C)ccc1[N+](=O)[O-] ZINC000289985833 474515627 /nfs/dbraw/zinc/51/56/27/474515627.db2.gz BWOYUSNPQQYFGB-ZUZCIYMTSA-N 1 0 330.340 2.921 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C2CC2)cc1 ZINC000283999151 474546983 /nfs/dbraw/zinc/54/69/83/474546983.db2.gz GOMFBRCSCXWOSS-INIZCTEOSA-N 1 0 336.501 2.542 20 10 EFCDRO COc1ccc([C@H](CN(C)C)[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000284038317 474557207 /nfs/dbraw/zinc/55/72/07/474557207.db2.gz OOCBYVMGPXGEPH-INIZCTEOSA-N 1 0 344.411 2.522 20 10 EFCDRO COc1cc(O)c(C[NH2+]Cc2ccnc(N3CCCC3)c2)cc1OC ZINC000290141076 474559116 /nfs/dbraw/zinc/55/91/16/474559116.db2.gz KIESGUDSWXVBAV-UHFFFAOYSA-N 1 0 343.427 2.694 20 10 EFCDRO COc1ccc(O)c(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)c1 ZINC000290210403 474562128 /nfs/dbraw/zinc/56/21/28/474562128.db2.gz QLLJGEBPSXJHKO-CQSZACIVSA-N 1 0 344.411 2.501 20 10 EFCDRO COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000271470806 474563006 /nfs/dbraw/zinc/56/30/06/474563006.db2.gz HCQZHTYRKCMMPI-HXPMCKFVSA-N 1 0 345.395 2.995 20 10 EFCDRO Cc1cccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1O ZINC000290316484 474565483 /nfs/dbraw/zinc/56/54/83/474565483.db2.gz CPHCOJMHAUEFKQ-UXHICEINSA-N 1 0 340.467 2.673 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000276705452 474568489 /nfs/dbraw/zinc/56/84/89/474568489.db2.gz PTBZTMKJDBORHS-UHFFFAOYSA-N 1 0 332.492 2.674 20 10 EFCDRO Cc1ccc([C@H](CNC(=O)c2c(F)ccc(O)c2O)[NH+](C)C)cc1 ZINC000276664309 474568788 /nfs/dbraw/zinc/56/87/88/474568788.db2.gz YLEUZBDISLAGGS-AWEZNQCLSA-N 1 0 332.375 2.578 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)cc1F ZINC000276859086 474572289 /nfs/dbraw/zinc/57/22/89/474572289.db2.gz WLGDDCIUAHNZKI-INIZCTEOSA-N 1 0 333.451 2.869 20 10 EFCDRO O=C1CCCN1[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000276818106 474572730 /nfs/dbraw/zinc/57/27/30/474572730.db2.gz OZWQXWNWRADNCT-LJQANCHMSA-N 1 0 327.472 2.874 20 10 EFCDRO C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)c(F)c1[O-] ZINC000276992134 474576199 /nfs/dbraw/zinc/57/61/99/474576199.db2.gz XPBVQMOLQJFDAU-IUIKQTSFSA-N 1 0 340.414 2.699 20 10 EFCDRO C[NH+]1CCC(N(Cc2ccco2)Cc2cc3c(cc2O)OCO3)CC1 ZINC000290566938 474577205 /nfs/dbraw/zinc/57/72/05/474577205.db2.gz SSRVLUVJHNEHFR-UHFFFAOYSA-N 1 0 344.411 2.810 20 10 EFCDRO C[C@H]([NH2+][C@H](CO)C[C@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000271527448 474580652 /nfs/dbraw/zinc/58/06/52/474580652.db2.gz QKHMSTNRRAWCEQ-QSFXBCCZSA-N 1 0 328.456 2.888 20 10 EFCDRO CCc1nnc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)[nH]1 ZINC000271532833 474581157 /nfs/dbraw/zinc/58/11/57/474581157.db2.gz PVPGXSLSQZCJKG-KBPBESRZSA-N 1 0 329.448 2.616 20 10 EFCDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184685716 474583708 /nfs/dbraw/zinc/58/37/08/474583708.db2.gz CDNPIMGRLDYJLB-GFCCVEGCSA-N 1 0 340.851 2.792 20 10 EFCDRO COCCOC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184699935 474588776 /nfs/dbraw/zinc/58/87/76/474588776.db2.gz KSPABZCFKGFNMG-GFCCVEGCSA-N 1 0 329.824 2.539 20 10 EFCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1cccc(Br)c1O ZINC000277560009 474590008 /nfs/dbraw/zinc/59/00/08/474590008.db2.gz PFQLQFDVHDTPGT-JTQLQIEISA-N 1 0 343.265 2.938 20 10 EFCDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000271773528 474590203 /nfs/dbraw/zinc/59/02/03/474590203.db2.gz CEXXTSGFQZZYMQ-UHFFFAOYSA-N 1 0 325.405 2.621 20 10 EFCDRO COCCOCc1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000291038570 474591310 /nfs/dbraw/zinc/59/13/10/474591310.db2.gz KHCNCKKSZIWRSD-UHFFFAOYSA-N 1 0 345.395 2.574 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000291132298 474595007 /nfs/dbraw/zinc/59/50/07/474595007.db2.gz FALJGGUYBRQCNZ-STQMWFEESA-N 1 0 344.386 2.996 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2cc(OC)ccc2OC)c1 ZINC000271852237 474596894 /nfs/dbraw/zinc/59/68/94/474596894.db2.gz RLKHBOHGJDJOEB-KZULUSFZSA-N 1 0 347.411 2.802 20 10 EFCDRO COc1c(O)c(CN2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000278202665 474604215 /nfs/dbraw/zinc/60/42/15/474604215.db2.gz JGBYLQQFIWMFKO-AWEZNQCLSA-N 1 0 349.431 2.617 20 10 EFCDRO COc1c([O-])c(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000278309678 474606727 /nfs/dbraw/zinc/60/67/27/474606727.db2.gz DUWHXEDXYARIQN-CYBMUJFWSA-N 1 0 337.420 2.663 20 10 EFCDRO CC(C)[NH+]1CCC(N2CCN(Cc3cc(F)ccc3O)CC2)CC1 ZINC000272252866 474606946 /nfs/dbraw/zinc/60/69/46/474606946.db2.gz CGMJMEMZLNFENY-UHFFFAOYSA-N 1 0 335.467 2.522 20 10 EFCDRO OC[C@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000184786583 474607992 /nfs/dbraw/zinc/60/79/92/474607992.db2.gz SRDKTWSCNOERAI-QGZVFWFLSA-N 1 0 341.407 2.894 20 10 EFCDRO C[NH+]1CCC(C)(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000272423493 474610776 /nfs/dbraw/zinc/61/07/76/474610776.db2.gz DPWMENRYPGUHCC-UHFFFAOYSA-N 1 0 327.812 2.775 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000272440342 474611658 /nfs/dbraw/zinc/61/16/58/474611658.db2.gz KZCFLXMQZNTXBH-IEBWSBKVSA-N 1 0 344.503 2.768 20 10 EFCDRO C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C1=CC[N@H+](C)CC1 ZINC000272689898 474623102 /nfs/dbraw/zinc/62/31/02/474623102.db2.gz CGKNMEQZUVFEON-MRXNPFEDSA-N 1 0 342.487 2.736 20 10 EFCDRO C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C1=CC[N@H+](C)CC1 ZINC000272748739 474624670 /nfs/dbraw/zinc/62/46/70/474624670.db2.gz NFBJHBDJPBPOPF-OAHLLOKOSA-N 1 0 342.487 2.519 20 10 EFCDRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H](C)c1ccccc1O ZINC000272803993 474625726 /nfs/dbraw/zinc/62/57/26/474625726.db2.gz BXAXVFZMFJXLTK-SJORKVTESA-N 1 0 340.471 2.649 20 10 EFCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)n(C)n1 ZINC000284368448 474627894 /nfs/dbraw/zinc/62/78/94/474627894.db2.gz OCTDECBCQUDNAR-AWEZNQCLSA-N 1 0 332.423 2.555 20 10 EFCDRO C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)C1=CC[N@H+](C)CC1 ZINC000272909092 474638620 /nfs/dbraw/zinc/63/86/20/474638620.db2.gz JJADULAQPBEMBB-HNNXBMFYSA-N 1 0 330.476 2.544 20 10 EFCDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000267313109 474646367 /nfs/dbraw/zinc/64/63/67/474646367.db2.gz MZUOTONNJBKVCI-KRWDZBQOSA-N 1 0 344.503 2.552 20 10 EFCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCN(c3ccccc3F)C1)OCO2 ZINC000291745221 474667116 /nfs/dbraw/zinc/66/71/16/474667116.db2.gz PMKVRTPAKGLBAW-CYBMUJFWSA-N 1 0 330.359 2.629 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C(C)C)c1 ZINC000284581829 474677382 /nfs/dbraw/zinc/67/73/82/474677382.db2.gz JKUGTHLTLHWVCJ-YJBOKZPZSA-N 1 0 331.416 2.798 20 10 EFCDRO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000292885793 474696925 /nfs/dbraw/zinc/69/69/25/474696925.db2.gz YHRUBHFJKLMYGM-OAHLLOKOSA-N 1 0 345.464 2.926 20 10 EFCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c1O ZINC000278575187 474714495 /nfs/dbraw/zinc/71/44/95/474714495.db2.gz CNJCNYLWDYMANC-OAHLLOKOSA-N 1 0 334.851 2.846 20 10 EFCDRO CCOCc1cc(C[NH2+]Cc2ccc(NC(C)=O)nc2)ccc1OC ZINC000278685426 474775770 /nfs/dbraw/zinc/77/57/70/474775770.db2.gz PKLUJHSMMWNJGQ-UHFFFAOYSA-N 1 0 343.427 2.875 20 10 EFCDRO COCCC(=O)N1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000284869376 474806798 /nfs/dbraw/zinc/80/67/98/474806798.db2.gz AVSJUIGIWSDAFQ-OAHLLOKOSA-N 1 0 334.460 2.687 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c1 ZINC000273305101 474832886 /nfs/dbraw/zinc/83/28/86/474832886.db2.gz CQQKKIWCAYQIDF-ZDUSSCGKSA-N 1 0 349.452 2.796 20 10 EFCDRO Oc1cc2c(cc1C[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)OCO2 ZINC000278820398 474853238 /nfs/dbraw/zinc/85/32/38/474853238.db2.gz TXKSOCHPMVVENA-AWEZNQCLSA-N 1 0 339.750 2.737 20 10 EFCDRO COc1cc(C[NH2+][C@H](C)c2ccc(C)cc2O)ccc1OCCO ZINC000273363719 474859627 /nfs/dbraw/zinc/85/96/27/474859627.db2.gz DMQHNEIRDGBICW-CQSZACIVSA-N 1 0 331.412 2.931 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1cc(F)ccc1O ZINC000273362408 474860560 /nfs/dbraw/zinc/86/05/60/474860560.db2.gz DDQXLVDAZBKBKC-NSHDSACASA-N 1 0 338.404 2.754 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c(O)c1 ZINC000273369986 474862790 /nfs/dbraw/zinc/86/27/90/474862790.db2.gz FWKUFHRNDKZOKZ-KGLIPLIRSA-N 1 0 345.395 2.520 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)c1 ZINC000273373600 474865753 /nfs/dbraw/zinc/86/57/53/474865753.db2.gz GPEIANHFMOILFB-HNNXBMFYSA-N 1 0 327.428 2.783 20 10 EFCDRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273384135 474872094 /nfs/dbraw/zinc/87/20/94/474872094.db2.gz JAYZHRSGKOALCJ-AWEZNQCLSA-N 1 0 348.468 2.768 20 10 EFCDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000285065211 474880296 /nfs/dbraw/zinc/88/02/96/474880296.db2.gz LTFGWSRCAHYBCB-AWEZNQCLSA-N 1 0 340.851 2.935 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000273422100 474890080 /nfs/dbraw/zinc/89/00/80/474890080.db2.gz SKSYBGFZGQDYAE-CYBMUJFWSA-N 1 0 332.444 2.704 20 10 EFCDRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273444271 474900318 /nfs/dbraw/zinc/90/03/18/474900318.db2.gz DUCFHJYBTYSCBN-HNNXBMFYSA-N 1 0 334.460 2.687 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)CCCN(C)Cc2ccco2)cc1OC ZINC000285138065 474904319 /nfs/dbraw/zinc/90/43/19/474904319.db2.gz NVURTPOSRWYKHZ-UHFFFAOYSA-N 1 0 348.443 2.956 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)c(O)c1 ZINC000273459854 474908650 /nfs/dbraw/zinc/90/86/50/474908650.db2.gz QIBYKZJBXBIWDG-ABAIWWIYSA-N 1 0 343.349 2.535 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)nc(N3CCCC3)n2)c1 ZINC000293335909 474933400 /nfs/dbraw/zinc/93/34/00/474933400.db2.gz GGEIJRJBGCDSQV-CQSZACIVSA-N 1 0 342.443 2.950 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1ccc(Br)cc1O ZINC000273593350 474980499 /nfs/dbraw/zinc/98/04/99/474980499.db2.gz PVGDXLQKGBMTEQ-BDAKNGLRSA-N 1 0 325.210 2.695 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(Br)cc1O ZINC000273514909 474938640 /nfs/dbraw/zinc/93/86/40/474938640.db2.gz SJGSOSIQENOMCM-ZUZCIYMTSA-N 1 0 344.249 2.593 20 10 EFCDRO C[C@H]1CCCN(c2ccc(CNCc3cnn(C)n3)cc2Cl)C1 ZINC000293384656 474956356 /nfs/dbraw/zinc/95/63/56/474956356.db2.gz WJFRGEXLFYXKJR-ZDUSSCGKSA-N 1 0 333.867 2.995 20 10 EFCDRO CCCOc1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c(O)c1 ZINC000279089089 474959718 /nfs/dbraw/zinc/95/97/18/474959718.db2.gz ABJRLGWCYXVWED-YZVOILCLSA-N 1 0 335.444 2.949 20 10 EFCDRO COC[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)[C@H]1CCCO1 ZINC000279123445 474960828 /nfs/dbraw/zinc/96/08/28/474960828.db2.gz UYEHLDMXSGULNY-LSDHHAIUSA-N 1 0 327.808 2.532 20 10 EFCDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000279161974 474963211 /nfs/dbraw/zinc/96/32/11/474963211.db2.gz AWGIWYQONJGJMD-FOIQADDNSA-N 1 0 343.423 2.601 20 10 EFCDRO COCCN1CC[C@@H]([NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000273562995 474964140 /nfs/dbraw/zinc/96/41/40/474964140.db2.gz IRCWITSKEFKLCT-DGCLKSJQSA-N 1 0 343.265 2.526 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@H](OCC)[C@@]23CCCO3)c(O)c1 ZINC000273568892 474966838 /nfs/dbraw/zinc/96/68/38/474966838.db2.gz GGOXRMOOSSBRCE-CEXWTWQISA-N 1 0 335.444 2.997 20 10 EFCDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(Br)ccc2O)C1 ZINC000279643268 474984057 /nfs/dbraw/zinc/98/40/57/474984057.db2.gz DCSMGHURJIOQDL-LBPRGKRZSA-N 1 0 341.249 2.503 20 10 EFCDRO CN(C(=O)Cc1ccc(N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261587411 474986846 /nfs/dbraw/zinc/98/68/46/474986846.db2.gz VATWYGJYIHZXSD-UHFFFAOYSA-N 1 0 337.467 2.934 20 10 EFCDRO COc1cc(Cl)cc(C[NH+]2CCC(NC(=O)C(C)C)CC2)c1O ZINC000273686522 475011595 /nfs/dbraw/zinc/01/15/95/475011595.db2.gz AOWOCFSATSPCAL-UHFFFAOYSA-N 1 0 340.851 2.791 20 10 EFCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O)c1ccc(C)cc1O ZINC000280247388 475016330 /nfs/dbraw/zinc/01/63/30/475016330.db2.gz WIVRWVDVLVBOOL-HZPDHXFCSA-N 1 0 342.443 2.589 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c(C(F)(F)F)c1 ZINC000280282002 475018466 /nfs/dbraw/zinc/01/84/66/475018466.db2.gz LSIBZKGBDSMFFS-UONOGXRCSA-N 1 0 346.393 2.506 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](OCCO)C2)c(C(F)(F)F)c1 ZINC000280381292 475021958 /nfs/dbraw/zinc/02/19/58/475021958.db2.gz WDMLBSDZGYGXKT-HNNXBMFYSA-N 1 0 346.393 2.745 20 10 EFCDRO Cc1cc(C[NH2+][C@H](C(N)=O)[C@H](C)c2ccccc2)ccc1N(C)C ZINC000293529502 475024521 /nfs/dbraw/zinc/02/45/21/475024521.db2.gz JGWIWWFDTDZPPM-BEFAXECRSA-N 1 0 325.456 2.808 20 10 EFCDRO Cc1cc(C[NH2+][C@@H](C(N)=O)[C@H](C)c2ccccc2)ccc1N(C)C ZINC000293529507 475025128 /nfs/dbraw/zinc/02/51/28/475025128.db2.gz JGWIWWFDTDZPPM-DNVCBOLYSA-N 1 0 325.456 2.808 20 10 EFCDRO CCOCc1cc(C[NH2+]CC2([S@](C)=O)CCC2)ccc1OC ZINC000280561826 475032856 /nfs/dbraw/zinc/03/28/56/475032856.db2.gz FWWHXRCAOQSCIB-QFIPXVFZSA-N 1 0 325.474 2.623 20 10 EFCDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CCC(O)CC3)cc2F)C[C@@H](C)O1 ZINC000285658938 475034908 /nfs/dbraw/zinc/03/49/08/475034908.db2.gz MQHMNWCATIHQBI-QBBMROGASA-N 1 0 336.451 2.832 20 10 EFCDRO Oc1cccc(Cl)c1C[NH2+]CCn1cc(Br)cn1 ZINC000285648592 475035526 /nfs/dbraw/zinc/03/55/26/475035526.db2.gz ZTWLQEUMVBRBTG-UHFFFAOYSA-N 1 0 330.613 2.794 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(N(C)C)cc1 ZINC000268730407 475039624 /nfs/dbraw/zinc/03/96/24/475039624.db2.gz BXCLOIPCWYYDAF-INIZCTEOSA-N 1 0 340.471 2.835 20 10 EFCDRO CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000293570239 475040392 /nfs/dbraw/zinc/04/03/92/475040392.db2.gz DJVSZHOVUMJDCM-AEFFLSMTSA-N 1 0 333.520 2.933 20 10 EFCDRO Cc1nccn1CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268798952 475041121 /nfs/dbraw/zinc/04/11/21/475041121.db2.gz IQWWVUKSUJNLBR-AWEZNQCLSA-N 1 0 332.423 2.518 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cnccn1 ZINC000268801051 475041353 /nfs/dbraw/zinc/04/13/53/475041353.db2.gz BBISNLFUSMKJPZ-HNNXBMFYSA-N 1 0 326.444 2.536 20 10 EFCDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2ccccc2O)c1 ZINC000268819366 475044358 /nfs/dbraw/zinc/04/43/58/475044358.db2.gz JLTCKRPPUWODLC-CYBMUJFWSA-N 1 0 344.411 2.916 20 10 EFCDRO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268852403 475045368 /nfs/dbraw/zinc/04/53/68/475045368.db2.gz BYNAFDLHNFTBIJ-LIRRHRJNSA-N 1 0 346.450 2.934 20 10 EFCDRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268834020 475045902 /nfs/dbraw/zinc/04/59/02/475045902.db2.gz LEPAYBDBLBRCQE-CLCXKQKWSA-N 1 0 349.494 2.605 20 10 EFCDRO C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000268838950 475046274 /nfs/dbraw/zinc/04/62/74/475046274.db2.gz MRRSYSBGSZKGGZ-FXAWDEMLSA-N 1 0 331.504 2.784 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(N2CCCCC2)cc1 ZINC000268854836 475046397 /nfs/dbraw/zinc/04/63/97/475046397.db2.gz CTAZANGKFXYQKC-HNAYVOBHSA-N 1 0 328.460 2.795 20 10 EFCDRO C[C@H]([NH2+]CC(=O)NCC(F)F)c1ccc(N2CCCCC2)cc1 ZINC000280769118 475048464 /nfs/dbraw/zinc/04/84/64/475048464.db2.gz FYWXPBGYRKMDTR-ZDUSSCGKSA-N 1 0 325.403 2.709 20 10 EFCDRO CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000286016987 475050184 /nfs/dbraw/zinc/05/01/84/475050184.db2.gz IKVSKYKSPFFJED-KSZLIROESA-N 1 0 336.451 2.950 20 10 EFCDRO C[C@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000280879942 475054118 /nfs/dbraw/zinc/05/41/18/475054118.db2.gz DJRCFVFCXIHSEX-YOEHRIQHSA-N 1 0 336.451 2.864 20 10 EFCDRO CCCN(Cc1ccc2c(c1)NC(=O)CO2)c1ccc(C[NH3+])cc1 ZINC000294745520 475079620 /nfs/dbraw/zinc/07/96/20/475079620.db2.gz RCAVLXDDUTXJJE-UHFFFAOYSA-N 1 0 325.412 2.893 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1O ZINC000294771342 475080801 /nfs/dbraw/zinc/08/08/01/475080801.db2.gz KFHQKKRPWSHJFE-AWEZNQCLSA-N 1 0 334.460 2.905 20 10 EFCDRO C[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@H](c1ccccc1)[NH+](C)C ZINC000294924270 475091500 /nfs/dbraw/zinc/09/15/00/475091500.db2.gz GXQILLRVYLURRA-BDJLRTHQSA-N 1 0 332.375 2.658 20 10 EFCDRO CCOCc1cc(C[NH2+][C@H](C(=O)N(C)CC)C(C)C)ccc1OC ZINC000294920843 475092546 /nfs/dbraw/zinc/09/25/46/475092546.db2.gz AWLLRCAYNYTGGN-SFHVURJKSA-N 1 0 336.476 2.824 20 10 EFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](n4cccn4)C3)cc2)CC1 ZINC000294938563 475092924 /nfs/dbraw/zinc/09/29/24/475092924.db2.gz AFHFJURNKXXXSH-IBGZPJMESA-N 1 0 340.471 2.945 20 10 EFCDRO CC[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)NC(=O)OC(C)(C)C ZINC000294979731 475095864 /nfs/dbraw/zinc/09/58/64/475095864.db2.gz GKVBFOPOBQQQFI-GFCCVEGCSA-N 1 0 338.404 2.514 20 10 EFCDRO COC1CCN(c2ccc(CN3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC000295006883 475097047 /nfs/dbraw/zinc/09/70/47/475097047.db2.gz AQOVFTQRJZTECX-UHFFFAOYSA-N 1 0 331.504 2.828 20 10 EFCDRO C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cc2c(cc1O)CCCC2 ZINC000287242058 475100135 /nfs/dbraw/zinc/10/01/35/475100135.db2.gz YWTDGNAOGRUYQR-ZIAGYGMSSA-N 1 0 337.485 2.746 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)c1O ZINC000295084505 475103123 /nfs/dbraw/zinc/10/31/23/475103123.db2.gz SMJABWDYUFFDIM-UHFFFAOYSA-N 1 0 340.851 2.935 20 10 EFCDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1c(F)ccc(O)c1O ZINC000295130584 475105163 /nfs/dbraw/zinc/10/51/63/475105163.db2.gz HZSHDMNLUDSZFB-UHFFFAOYSA-N 1 0 336.407 2.764 20 10 EFCDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000287357340 475111009 /nfs/dbraw/zinc/11/10/09/475111009.db2.gz XYYXHHRBTOZQLQ-ZBFHGGJFSA-N 1 0 348.466 2.660 20 10 EFCDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000287357334 475111959 /nfs/dbraw/zinc/11/19/59/475111959.db2.gz XYYXHHRBTOZQLQ-HOCLYGCPSA-N 1 0 348.466 2.660 20 10 EFCDRO CCC[NH2+][C@@H](C)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000295226883 475113605 /nfs/dbraw/zinc/11/36/05/475113605.db2.gz RMFIUIPNTQECRE-NSHDSACASA-N 1 0 343.265 2.891 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)CCC[NH3+])c2C)cc1 ZINC000295237923 475114390 /nfs/dbraw/zinc/11/43/90/475114390.db2.gz OPYRNJLRWLIVCM-CYBMUJFWSA-N 1 0 329.444 2.960 20 10 EFCDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295681128 475130098 /nfs/dbraw/zinc/13/00/98/475130098.db2.gz HATGPZDGUUZDTM-JKSUJKDBSA-N 1 0 348.487 2.979 20 10 EFCDRO C[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000295695588 475131164 /nfs/dbraw/zinc/13/11/64/475131164.db2.gz PCJMFGUBOJYYAI-NWDGAFQWSA-N 1 0 336.407 2.620 20 10 EFCDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccc(OC)c(COCC)c1 ZINC000292807991 475204349 /nfs/dbraw/zinc/20/43/49/475204349.db2.gz WCUCQDAURUGCKC-HNNXBMFYSA-N 1 0 336.476 2.874 20 10 EFCDRO CC(=O)c1cc(F)cc(CN2CCC[C@H](N3CCCCC3=O)C2)c1O ZINC000361366002 475388935 /nfs/dbraw/zinc/38/89/35/475388935.db2.gz RFKSMJHMGVXZDK-INIZCTEOSA-N 1 0 348.418 2.711 20 10 EFCDRO O=C1[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CCCN1CC(F)(F)F ZINC000296664376 475418984 /nfs/dbraw/zinc/41/89/84/475418984.db2.gz FLEQSQOGVOKWPX-RYUDHWBXSA-N 1 0 328.334 2.522 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000349805344 476004722 /nfs/dbraw/zinc/00/47/22/476004722.db2.gz VITNARZIPHNIRX-OAHLLOKOSA-N 1 0 340.471 2.936 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000350032102 476033929 /nfs/dbraw/zinc/03/39/29/476033929.db2.gz ITDXTTLPWIOKDO-UGSOOPFHSA-N 1 0 328.460 2.578 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000350039502 476036295 /nfs/dbraw/zinc/03/62/95/476036295.db2.gz HUWDXNQOCNPCQR-UHFFFAOYSA-N 1 0 326.444 2.548 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000350057989 476039855 /nfs/dbraw/zinc/03/98/55/476039855.db2.gz BWXCCIDFYPKUMI-OAHLLOKOSA-N 1 0 328.460 2.580 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000350090412 476044296 /nfs/dbraw/zinc/04/42/96/476044296.db2.gz DQDOWCZHHKHOSB-GDBMZVCRSA-N 1 0 340.471 2.865 20 10 EFCDRO CC[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)[NH+](C)C ZINC000299102318 476134445 /nfs/dbraw/zinc/13/44/45/476134445.db2.gz WQTLQKTVQRTWEV-RBUKOAKNSA-N 1 0 347.503 2.600 20 10 EFCDRO Cc1cc(C(=O)N(C2CC2)C2CC[NH2+]CC2)c(C)n1-c1ccccn1 ZINC000368557799 476356254 /nfs/dbraw/zinc/35/62/54/476356254.db2.gz SELZFEJOQJEIBY-UHFFFAOYSA-N 1 0 338.455 2.846 20 10 EFCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](c3nccn3C)C2)c1O ZINC000373116841 476377700 /nfs/dbraw/zinc/37/77/00/476377700.db2.gz ZPLDKVIZSLYZDU-ZDUSSCGKSA-N 1 0 331.391 2.847 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(F)ccc1O ZINC000373256666 476389525 /nfs/dbraw/zinc/38/95/25/476389525.db2.gz QVZGIXRCJUUORW-OCCSQVGLSA-N 1 0 343.402 2.560 20 10 EFCDRO Cn1ccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000369295429 476404936 /nfs/dbraw/zinc/40/49/36/476404936.db2.gz VUDSCDUDLGOBPT-INIZCTEOSA-N 1 0 334.851 2.533 20 10 EFCDRO Cn1ccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000369295431 476405447 /nfs/dbraw/zinc/40/54/47/476405447.db2.gz VUDSCDUDLGOBPT-MRXNPFEDSA-N 1 0 334.851 2.533 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)cc1F ZINC000369599921 476431743 /nfs/dbraw/zinc/43/17/43/476431743.db2.gz HAOFAULHFRTSQP-INIZCTEOSA-N 1 0 345.466 2.774 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1F ZINC000374254313 476463684 /nfs/dbraw/zinc/46/36/84/476463684.db2.gz DHWSADLJDOBALB-LPHOPBHVSA-N 1 0 346.450 2.713 20 10 EFCDRO Cn1cc([C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)c2ccccc2)cn1 ZINC000374609696 476491993 /nfs/dbraw/zinc/49/19/93/476491993.db2.gz GPXIOLOURQNGBK-IBGZPJMESA-N 1 0 337.379 2.734 20 10 EFCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000374618828 476492523 /nfs/dbraw/zinc/49/25/23/476492523.db2.gz MPUMOUVGXBBGAK-GOSISDBHSA-N 1 0 346.471 2.774 20 10 EFCDRO C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1O ZINC000374708687 476496904 /nfs/dbraw/zinc/49/69/04/476496904.db2.gz BPQAEUCRRYOBRL-CQSZACIVSA-N 1 0 345.443 2.688 20 10 EFCDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377743216 476555809 /nfs/dbraw/zinc/55/58/09/476555809.db2.gz ZVKQZFAKJLYCMI-DLBZAZTESA-N 1 0 328.456 2.523 20 10 EFCDRO CCOCc1cc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)ccc1OC ZINC000378420262 476706358 /nfs/dbraw/zinc/70/63/58/476706358.db2.gz HAGUNONVFWXLAP-MJGOQNOKSA-N 1 0 335.444 2.659 20 10 EFCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1 ZINC000370400117 476791405 /nfs/dbraw/zinc/79/14/05/476791405.db2.gz NVUHVCRYZHLXMF-LEWJYISDSA-N 1 0 340.467 2.641 20 10 EFCDRO Cn1cc(N2CC[C@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)C2)cn1 ZINC000370906946 477033089 /nfs/dbraw/zinc/03/30/89/477033089.db2.gz YVHIRNFNDZEBID-SFHVURJKSA-N 1 0 339.487 2.779 20 10 EFCDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)C2)cn1 ZINC000370906945 477033305 /nfs/dbraw/zinc/03/33/05/477033305.db2.gz YVHIRNFNDZEBID-GOSISDBHSA-N 1 0 339.487 2.779 20 10 EFCDRO COc1cc([N+](=O)[O-])c(N2CCC3(CCC[N@@H+]3C)CC2)cc1OC ZINC000371496446 477354696 /nfs/dbraw/zinc/35/46/96/477354696.db2.gz JIHLYRGONAYNMT-UHFFFAOYSA-N 1 0 335.404 2.677 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418099429 477465381 /nfs/dbraw/zinc/46/53/81/477465381.db2.gz NHWXUTOCXOEVAK-IBGZPJMESA-N 1 0 328.460 2.676 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3ncnn3C(C)(C)C)CC2)cc1 ZINC000376738923 477480831 /nfs/dbraw/zinc/48/08/31/477480831.db2.gz GRZLGAYYZQQNAJ-UHFFFAOYSA-N 1 0 343.475 2.800 20 10 EFCDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000367681715 477633730 /nfs/dbraw/zinc/63/37/30/477633730.db2.gz DWNWUNXHVGJMDM-XLIONFOSSA-N 1 0 329.488 2.582 20 10 EFCDRO CN(C)c1ccc(CNC(=O)c2cccn2C2CC[NH2+]CC2)cc1F ZINC000372107360 477641826 /nfs/dbraw/zinc/64/18/26/477641826.db2.gz IRGMPUGDPCTBRE-UHFFFAOYSA-N 1 0 344.434 2.548 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455467276 477645908 /nfs/dbraw/zinc/64/59/08/477645908.db2.gz DBLIWPMMBQVXIJ-MQVJKMGUSA-N 1 0 340.471 2.911 20 10 EFCDRO Cc1ncsc1/C=C/C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000372379709 477780943 /nfs/dbraw/zinc/78/09/43/477780943.db2.gz HUIOJHSLPPBFGM-VFNNOXKTSA-N 1 0 343.452 2.821 20 10 EFCDRO CC[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccccc1O ZINC000368408797 477804215 /nfs/dbraw/zinc/80/42/15/477804215.db2.gz FMRIVNJLROFCLH-YOEHRIQHSA-N 1 0 339.439 2.811 20 10 EFCDRO COc1cc(Br)cc(C[NH+]2CC([C@@H]3CCOC3)C2)c1O ZINC000368441243 477806823 /nfs/dbraw/zinc/80/68/23/477806823.db2.gz KVULZMIXOTUPBA-SNVBAGLBSA-N 1 0 342.233 2.632 20 10 EFCDRO CC(=O)NCCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000368514250 477812353 /nfs/dbraw/zinc/81/23/53/477812353.db2.gz MDPXPZICPSLERL-UHFFFAOYSA-N 1 0 337.467 2.865 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000471688140 478007680 /nfs/dbraw/zinc/00/76/80/478007680.db2.gz LQXCRUYNFCIFKV-SJLPKXTDSA-N 1 0 340.471 2.913 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000471671240 478007740 /nfs/dbraw/zinc/00/77/40/478007740.db2.gz MEEJHRCGYQRGOH-CVEARBPZSA-N 1 0 340.471 2.913 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000472232274 478011936 /nfs/dbraw/zinc/01/19/36/478011936.db2.gz IUEMZNMVIPVXDK-UHFFFAOYSA-N 1 0 342.487 2.970 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000472231530 478013011 /nfs/dbraw/zinc/01/30/11/478013011.db2.gz HHVPXMNXBOAETE-INIZCTEOSA-N 1 0 340.471 2.866 20 10 EFCDRO CCOc1ccc(C[NH2+][C@@]2(COC)COc3ccccc3C2)c(O)c1 ZINC000527801558 478525802 /nfs/dbraw/zinc/52/58/02/478525802.db2.gz SKGFEBOXAUOUNE-FQEVSTJZSA-N 1 0 343.423 2.901 20 10 EFCDRO COc1ccc([C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C2CC2)cn1 ZINC000527841437 478542862 /nfs/dbraw/zinc/54/28/62/478542862.db2.gz PFIGEBLLDKDLDX-GOSISDBHSA-N 1 0 328.368 2.765 20 10 EFCDRO CCn1nncc1C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000527920675 478571241 /nfs/dbraw/zinc/57/12/41/478571241.db2.gz QIIJWWDBYLMLJU-VIFPVBQESA-N 1 0 325.210 2.617 20 10 EFCDRO CNCc1noc(Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1 ZINC000583191537 478786820 /nfs/dbraw/zinc/78/68/20/478786820.db2.gz ZZUTWGBRYDFILL-UHFFFAOYSA-N 1 0 339.443 2.559 20 10 EFCDRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCc4ccc(Cl)cc43)c21 ZINC000592516025 478925537 /nfs/dbraw/zinc/92/55/37/478925537.db2.gz AVYOLMRBIYOMIX-LBPRGKRZSA-N 1 0 330.819 2.576 20 10 EFCDRO Cc1cc(C)c2c(c1)N(C(=O)c1cnn3c1[C@H](C[NH3+])CCC3)CCC2 ZINC000592522956 478930379 /nfs/dbraw/zinc/93/03/79/478930379.db2.gz UJGLCSHWPMRWSA-HNNXBMFYSA-N 1 0 338.455 2.929 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000574492962 479295291 /nfs/dbraw/zinc/29/52/91/479295291.db2.gz CTRFNDDCBQEPAR-CYBMUJFWSA-N 1 0 337.427 2.567 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCCC[C@H]3C[NH3+])ccc21 ZINC000653046018 481044506 /nfs/dbraw/zinc/04/45/06/481044506.db2.gz BTPVNZCPXBCAKG-KRWDZBQOSA-N 1 0 343.471 2.858 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)ccc21 ZINC000653133460 481100793 /nfs/dbraw/zinc/10/07/93/481100793.db2.gz MGJNUSVJSVTCRI-DLBZAZTESA-N 1 0 343.471 2.904 20 10 EFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NC(C)(C)CC[NH3+])CCCC1 ZINC000653165438 481120576 /nfs/dbraw/zinc/12/05/76/481120576.db2.gz MAQSGONTYMYWGQ-UHFFFAOYSA-N 1 0 343.471 2.772 20 10 EFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)C[C@H](C)[NH3+])CCCC1 ZINC000653166808 481121736 /nfs/dbraw/zinc/12/17/36/481121736.db2.gz WZZAANJHHQJXER-UONOGXRCSA-N 1 0 343.471 2.771 20 10 EFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000648803377 481754236 /nfs/dbraw/zinc/75/42/36/481754236.db2.gz QGVVYPBTEFFPJN-SFHVURJKSA-N 1 0 343.471 2.885 20 10 EFCDRO C[C@H]1CN(C(=O)c2cccc3c2CC[NH2+]C3)c2ccc(F)cc2O1 ZINC000662630707 481906506 /nfs/dbraw/zinc/90/65/06/481906506.db2.gz HSCMMTCDGLMMEW-LBPRGKRZSA-N 1 0 326.371 2.899 20 10 EFCDRO C[C@H]1CN(C(=O)c2cccc3c2CC[NH2+]C3)c2ccccc2N(C)C1=O ZINC000662630353 481906624 /nfs/dbraw/zinc/90/66/24/481906624.db2.gz CUPLKRBCWQRKEB-AWEZNQCLSA-N 1 0 349.434 2.592 20 10 EFCDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C[N@@H+]1C1CC1 ZINC000177708206 533929258 /nfs/dbraw/zinc/92/92/58/533929258.db2.gz HOLOFGSEZADYQP-WBVHZDCISA-N 1 0 342.487 2.711 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCCc3cnn(C)c3)CC2)cc1 ZINC000158287794 533998429 /nfs/dbraw/zinc/99/84/29/533998429.db2.gz BZYLIFKTMHPXEG-UHFFFAOYSA-N 1 0 328.460 2.620 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C3CCC4(CC3)OCCO4)CC2)cc1 ZINC000161765555 534000953 /nfs/dbraw/zinc/00/09/53/534000953.db2.gz KBXPLHZGNHAEIB-UHFFFAOYSA-N 1 0 346.471 2.939 20 10 EFCDRO COc1ccc(N2CCC[N@@H+]([C@H]3CCCN(C(C)C)C3=O)CC2)cc1 ZINC000177689341 534002021 /nfs/dbraw/zinc/00/20/21/534002021.db2.gz XWAXNBNFCBDIDC-IBGZPJMESA-N 1 0 345.487 2.607 20 10 EFCDRO COc1ccc(N2CCC[N@H+](Cc3cccc(OC)n3)CC2)cc1 ZINC000171825435 534003212 /nfs/dbraw/zinc/00/32/12/534003212.db2.gz JOPPIUNQIDVYLZ-UHFFFAOYSA-N 1 0 327.428 2.811 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2=O)c1 ZINC000182322400 534203089 /nfs/dbraw/zinc/20/30/89/534203089.db2.gz FRBDYIPBTKYRCA-DYVFJYSZSA-N 1 0 326.396 2.857 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000031731376 521924685 /nfs/dbraw/zinc/92/46/85/521924685.db2.gz JHTWANWDLWLKPS-UHFFFAOYSA-N 1 0 340.471 2.814 20 10 EFCDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cc(Br)ccc1O ZINC000036794311 522683926 /nfs/dbraw/zinc/68/39/26/522683926.db2.gz AHKAGAAMLOZJEJ-CABZTGNLSA-N 1 0 329.238 2.672 20 10 EFCDRO COc1cccc(C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)c1O ZINC000298166832 526027550 /nfs/dbraw/zinc/02/75/50/526027550.db2.gz TVISLCGWBMXNSV-OAHLLOKOSA-N 1 0 342.439 2.916 20 10 EFCDRO CC(C)C(=O)NCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000184869559 527509911 /nfs/dbraw/zinc/50/99/11/527509911.db2.gz KYCLIMVEOUKAMF-JTQLQIEISA-N 1 0 329.238 2.578 20 10 EFCDRO CC(C)[N@H+](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000070944527 528809772 /nfs/dbraw/zinc/80/97/72/528809772.db2.gz WZVAAZQVNYBCHW-LJQANCHMSA-N 1 0 347.503 2.600 20 10 EFCDRO CC[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000171693508 529365170 /nfs/dbraw/zinc/36/51/70/529365170.db2.gz XKDZNNREFMAVFS-CQSZACIVSA-N 1 0 336.455 2.565 20 10 EFCDRO CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000236990149 535347834 /nfs/dbraw/zinc/34/78/34/535347834.db2.gz FIRXUXNVVQOQBU-IUODEOHRSA-N 1 0 341.402 2.500 20 10 EFCDRO CCN(CC)c1ccc(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000362375331 535684322 /nfs/dbraw/zinc/68/43/22/535684322.db2.gz CYEGMCLMZNZQTQ-NRFANRHFSA-N 1 0 344.547 2.745 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000263722466 535751752 /nfs/dbraw/zinc/75/17/52/535751752.db2.gz WNXLOKLRKYDWNL-SFHVURJKSA-N 1 0 340.423 2.682 20 10 EFCDRO COC(=O)C[C@](C)([NH2+]Cc1cc(C)c(C)cc1O)c1ccncc1 ZINC000191903527 536360691 /nfs/dbraw/zinc/36/06/91/536360691.db2.gz ZXVVDRJNSHENPC-IBGZPJMESA-N 1 0 328.412 2.972 20 10 EFCDRO COC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295581301 536603242 /nfs/dbraw/zinc/60/32/42/536603242.db2.gz SDDASLMRVZJIQQ-OAHLLOKOSA-N 1 0 334.460 2.543 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@](C)(O)c3ccco3)CC2)cc1 ZINC000305118128 536670150 /nfs/dbraw/zinc/67/01/50/536670150.db2.gz GCYWXTXJAKHLTJ-IBGZPJMESA-N 1 0 330.428 2.754 20 10 EFCDRO COc1ccc(N2CCC[N@H+](C[C@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC000248916392 536671426 /nfs/dbraw/zinc/67/14/26/536671426.db2.gz ZWYSPMBIVQEOTN-GOSISDBHSA-N 1 0 344.455 2.693 20 10 EFCDRO COC1CCN(c2ccc(C[NH2+][C@H](C)Cn3cccn3)cc2)CC1 ZINC000297657480 536758128 /nfs/dbraw/zinc/75/81/28/536758128.db2.gz YXJFFISMNGHKHF-MRXNPFEDSA-N 1 0 328.460 2.677 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@@]2(CO)CCCc3ccccc32)cc1OC ZINC000367031774 536856742 /nfs/dbraw/zinc/85/67/42/536856742.db2.gz WNKMXDPGPHGGTL-HXUWFJFHSA-N 1 0 343.423 2.723 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1OC ZINC000290929666 536857065 /nfs/dbraw/zinc/85/70/65/536857065.db2.gz OUUHQXOSTVEMQJ-ZDUSSCGKSA-N 1 0 337.807 2.706 20 10 EFCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000754726110 575477930 /nfs/dbraw/zinc/47/79/30/575477930.db2.gz OJKZVTJHSKDKQE-UHFFFAOYSA-N 1 0 342.399 2.634 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c1O ZINC000754732673 575479876 /nfs/dbraw/zinc/47/98/76/575479876.db2.gz UFEAPZYDSIKHKR-UHFFFAOYSA-N 1 0 332.366 2.779 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)CC2CC2)ccc1N1CCCCC1 ZINC000754835016 575499657 /nfs/dbraw/zinc/49/96/57/575499657.db2.gz QRAWHOGIIODAGP-MRXNPFEDSA-N 1 0 333.432 2.836 20 10 EFCDRO CC[N@H+](CCNC(=O)N(C)Cc1ccccc1O)CCC(F)(F)F ZINC000755851142 575645558 /nfs/dbraw/zinc/64/55/58/575645558.db2.gz HPDUTXAUEIOZOS-UHFFFAOYSA-N 1 0 347.381 2.808 20 10 EFCDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])N1CC[NH+](C)CC1 ZINC000756399522 575731112 /nfs/dbraw/zinc/73/11/12/575731112.db2.gz QLMSGUXUPJCGSC-SUMWQHHRSA-N 1 0 341.446 2.593 20 10 EFCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cncn3)nc2)c2c1c(F)ccc2O ZINC000756430981 575738107 /nfs/dbraw/zinc/73/81/07/575738107.db2.gz LISXHADYMCIJRB-SMDDNHRTSA-N 1 0 339.374 2.845 20 10 EFCDRO CCN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756460284 575742551 /nfs/dbraw/zinc/74/25/51/575742551.db2.gz ZISNYOHKLAKVBI-JTQLQIEISA-N 1 0 329.238 2.674 20 10 EFCDRO C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756459914 575742643 /nfs/dbraw/zinc/74/26/43/575742643.db2.gz QECCXDGDHRYRHZ-QWRGUYRKSA-N 1 0 333.259 2.806 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c(O)c1 ZINC000756469847 575743652 /nfs/dbraw/zinc/74/36/52/575743652.db2.gz LNXSQCKJUDQFOO-ZDUSSCGKSA-N 1 0 334.441 2.923 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]CC(=O)NCc2ccccc2)c2c1c(F)ccc2O ZINC000756477434 575745694 /nfs/dbraw/zinc/74/56/94/575745694.db2.gz ZHTNFEJBLMEQLT-DOMZBBRYSA-N 1 0 328.387 2.986 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(OC)c(O)c(OC)c2)c1 ZINC000756523212 575755047 /nfs/dbraw/zinc/75/50/47/575755047.db2.gz APVKYXZVQJGFLT-LLVKDONJSA-N 1 0 333.384 2.974 20 10 EFCDRO CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756535857 575756646 /nfs/dbraw/zinc/75/66/46/575756646.db2.gz RXTYBHPAACSUHG-KGLIPLIRSA-N 1 0 341.446 2.595 20 10 EFCDRO C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1cc(Br)ccc1O ZINC000756561316 575762559 /nfs/dbraw/zinc/76/25/59/575762559.db2.gz ARINEWBTOQSZDU-NWDGAFQWSA-N 1 0 344.249 2.858 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)c2c1c(F)ccc2O ZINC000756713907 575780040 /nfs/dbraw/zinc/78/00/40/575780040.db2.gz ZALIUGCCVLCWLN-FBIMIBRVSA-N 1 0 346.324 2.832 20 10 EFCDRO COCCOC[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756731437 575782018 /nfs/dbraw/zinc/78/20/18/575782018.db2.gz AKRMQSPXKMSZBL-MNOVXSKESA-N 1 0 332.238 2.857 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c1 ZINC000756741503 575783050 /nfs/dbraw/zinc/78/30/50/575783050.db2.gz FXZPGONBKQFUDV-ZDUSSCGKSA-N 1 0 331.437 2.881 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1cc(F)ccc1O ZINC000756757446 575784260 /nfs/dbraw/zinc/78/42/60/575784260.db2.gz NQLKHVMQZRRCEH-NSHDSACASA-N 1 0 335.400 2.712 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c(O)c1C ZINC000756839042 575790791 /nfs/dbraw/zinc/79/07/91/575790791.db2.gz PTSGWRMMULNUNB-HACGYAERSA-N 1 0 342.443 2.587 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]Cc2cc(C)ncn2)c1O ZINC000756989606 575808350 /nfs/dbraw/zinc/80/83/50/575808350.db2.gz FDDIVENIWAUZIQ-UHFFFAOYSA-N 1 0 338.205 2.552 20 10 EFCDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000757628539 575846112 /nfs/dbraw/zinc/84/61/12/575846112.db2.gz YHDKOQKMZAQWLU-KXBFYZLASA-N 1 0 342.487 2.569 20 10 EFCDRO C[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000757657930 575847980 /nfs/dbraw/zinc/84/79/80/575847980.db2.gz UHGCRAULODOZCX-XJKSGUPXSA-N 1 0 337.485 2.889 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCS2(=O)=O)c2c1c(F)ccc2O ZINC000757656971 575848036 /nfs/dbraw/zinc/84/80/36/575848036.db2.gz SXDAGCFIVOVDNE-MDZLAQPJSA-N 1 0 327.421 2.637 20 10 EFCDRO C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(Br)cc1O ZINC000757659897 575848112 /nfs/dbraw/zinc/84/81/12/575848112.db2.gz UGOYKMPERUXWDP-IINYFYTJSA-N 1 0 344.249 2.593 20 10 EFCDRO C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(Br)cc1O ZINC000757659899 575848150 /nfs/dbraw/zinc/84/81/50/575848150.db2.gz UGOYKMPERUXWDP-YGRLFVJLSA-N 1 0 344.249 2.593 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)cc1C ZINC000757693805 575850115 /nfs/dbraw/zinc/85/01/15/575850115.db2.gz OOFWYMBDTIJTOH-UHFFFAOYSA-N 1 0 331.437 2.623 20 10 EFCDRO Cc1cccc(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)c1O ZINC000757906116 575855567 /nfs/dbraw/zinc/85/55/67/575855567.db2.gz JIUAVISZSZIGIG-HNNXBMFYSA-N 1 0 332.831 2.788 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CC3(C)CC3)cc2F)CC1 ZINC000757932616 575856127 /nfs/dbraw/zinc/85/61/27/575856127.db2.gz NPAYCYGGDHYWKK-UHFFFAOYSA-N 1 0 333.451 2.774 20 10 EFCDRO Cc1cc(Br)cc(C[NH2+]C2COC(C)(C)OC2)c1O ZINC000758044694 575858795 /nfs/dbraw/zinc/85/87/95/575858795.db2.gz GXOBYPPOPRQFRH-UHFFFAOYSA-N 1 0 330.222 2.704 20 10 EFCDRO Oc1cccc2c1C[C@H]([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000758561675 575872768 /nfs/dbraw/zinc/87/27/68/575872768.db2.gz QBQDONRYMQVYDA-MRXNPFEDSA-N 1 0 342.414 2.625 20 10 EFCDRO CCOC(=O)C1CCC(O)(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000759436124 575891651 /nfs/dbraw/zinc/89/16/51/575891651.db2.gz JKOFTEJUXPJLLQ-XRTORIHISA-N 1 0 348.487 2.888 20 10 EFCDRO O=C(NCCCSc1nccs1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000759554099 575899970 /nfs/dbraw/zinc/89/99/70/575899970.db2.gz JFPOWLHFYUFIMS-OLZOCXBDSA-N 1 0 340.518 2.551 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC34CCC4)cc2F)CC1 ZINC000759783069 575933761 /nfs/dbraw/zinc/93/37/61/575933761.db2.gz GFQMDMRCCMZSJG-INIZCTEOSA-N 1 0 345.462 2.774 20 10 EFCDRO COc1ccc2ccc(O)c(C[NH+]3CCC(S(C)(=O)=O)CC3)c2c1 ZINC000760396384 576017514 /nfs/dbraw/zinc/01/75/14/576017514.db2.gz KRPCQNPBXVQEGP-UHFFFAOYSA-N 1 0 349.452 2.563 20 10 EFCDRO CCCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000761192551 576128046 /nfs/dbraw/zinc/12/80/46/576128046.db2.gz RPAFPRPLUIJRER-UHFFFAOYSA-N 1 0 340.851 2.935 20 10 EFCDRO CC(C)[C@H]1C[N@H+](C)CCN1Cc1cc(Br)ccc1O ZINC000761215534 576130773 /nfs/dbraw/zinc/13/07/73/576130773.db2.gz JPUYEHXNSWDAMW-CQSZACIVSA-N 1 0 327.266 2.927 20 10 EFCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CC[C@@H]3SCCS[C@@H]13)OCO2 ZINC000762616190 576318365 /nfs/dbraw/zinc/31/83/65/576318365.db2.gz RWHJUKROKHWIJX-ONERCXAPSA-N 1 0 325.455 2.590 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@H](CCO)C2CCOCC2)cc1F ZINC000763466716 576378418 /nfs/dbraw/zinc/37/84/18/576378418.db2.gz MKEZWRCTTZYJBQ-GOSISDBHSA-N 1 0 338.467 2.939 20 10 EFCDRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(Br)cc2O)CCOC1 ZINC000763572740 576381529 /nfs/dbraw/zinc/38/15/29/576381529.db2.gz OKTRXGRMQVOFCU-HZMBPMFUSA-N 1 0 330.222 2.611 20 10 EFCDRO C[C@H]([NH2+]CCN1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000764617526 576480171 /nfs/dbraw/zinc/48/01/71/576480171.db2.gz CTKWARYGPVEWJM-HNNXBMFYSA-N 1 0 337.895 2.923 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000764850045 576511764 /nfs/dbraw/zinc/51/17/64/576511764.db2.gz JZVDLKXYHVRQIX-DZGCQCFKSA-N 1 0 347.459 2.778 20 10 EFCDRO Cc1nccn1CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765140868 577011772 /nfs/dbraw/zinc/01/17/72/577011772.db2.gz HGVONDDUCFYZON-MRXNPFEDSA-N 1 0 328.460 2.769 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cncs1 ZINC000765256534 577023997 /nfs/dbraw/zinc/02/39/97/577023997.db2.gz UKXCIQWBWIPWJT-DZGCQCFKSA-N 1 0 344.484 2.696 20 10 EFCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CC1 ZINC000765256675 577024026 /nfs/dbraw/zinc/02/40/26/577024026.db2.gz VPWUVNWGGKZMRA-PKOBYXMFSA-N 1 0 329.488 2.913 20 10 EFCDRO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000765267615 577024847 /nfs/dbraw/zinc/02/48/47/577024847.db2.gz QBPOMIHJGSDCEZ-QGZVFWFLSA-N 1 0 331.437 2.726 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccccc1O ZINC000765313110 577031227 /nfs/dbraw/zinc/03/12/27/577031227.db2.gz BIFQAEXUJDZKGE-MAUKXSAKSA-N 1 0 339.439 2.712 20 10 EFCDRO CC[C@H]1CCC[C@H]1[NH2+]CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000765403088 577038550 /nfs/dbraw/zinc/03/85/50/577038550.db2.gz QYHABHFPEKCZPW-FXAWDEMLSA-N 1 0 331.504 2.986 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](C)Cn3ccnc3)CC2)cc1 ZINC000765417992 577040142 /nfs/dbraw/zinc/04/01/42/577040142.db2.gz XNBHDBBWOLTXSX-MRXNPFEDSA-N 1 0 328.460 2.786 20 10 EFCDRO COc1cccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000765780600 577076304 /nfs/dbraw/zinc/07/63/04/577076304.db2.gz RFDKHSDCWMIQJS-OAHLLOKOSA-N 1 0 327.428 2.778 20 10 EFCDRO Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c(O)c1O ZINC000765808816 577079688 /nfs/dbraw/zinc/07/96/88/577079688.db2.gz JMMWHOKDTPBUKM-PBHICJAKSA-N 1 0 340.423 2.657 20 10 EFCDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765981507 577094992 /nfs/dbraw/zinc/09/49/92/577094992.db2.gz VWKQPEIQAYWXJP-AEFFLSMTSA-N 1 0 336.501 2.590 20 10 EFCDRO CCCC[C@@H](CC)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765981494 577095015 /nfs/dbraw/zinc/09/50/15/577095015.db2.gz VGURONRDSZOGDD-QGZVFWFLSA-N 1 0 338.517 2.980 20 10 EFCDRO CCCC[C@H](CC)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765980974 577095055 /nfs/dbraw/zinc/09/50/55/577095055.db2.gz VGURONRDSZOGDD-KRWDZBQOSA-N 1 0 338.517 2.980 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCN(c2cnccn2)CC1 ZINC000766029431 577099598 /nfs/dbraw/zinc/09/95/98/577099598.db2.gz KDAWVMPJCXSAMP-UHFFFAOYSA-N 1 0 325.460 2.610 20 10 EFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(N(C)C)cc2C)C[C@H]1C ZINC000766244415 577125896 /nfs/dbraw/zinc/12/58/96/577125896.db2.gz FGBHQVVETZIALT-CVEARBPZSA-N 1 0 332.492 2.685 20 10 EFCDRO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766587467 577169332 /nfs/dbraw/zinc/16/93/32/577169332.db2.gz ZOVLJKSRZXNWIU-DOXZYTNZSA-N 1 0 347.478 2.796 20 10 EFCDRO COC(=O)c1cc(C[N@H+](C)Cc2ccccc2O)cc(C(=O)OC)c1 ZINC000766918990 577188064 /nfs/dbraw/zinc/18/80/64/577188064.db2.gz NDXZIIIMXDOZOE-UHFFFAOYSA-N 1 0 343.379 2.597 20 10 EFCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(C)o1 ZINC000767350278 577205591 /nfs/dbraw/zinc/20/55/91/577205591.db2.gz HVCYWQFBEJBUAC-QGZVFWFLSA-N 1 0 341.455 2.888 20 10 EFCDRO O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[O-] ZINC000725845714 577246740 /nfs/dbraw/zinc/24/67/40/577246740.db2.gz IGFBDHCUCFZVAP-STQMWFEESA-N 1 0 325.796 2.670 20 10 EFCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccccc1Cn1cncn1 ZINC000725847210 577247510 /nfs/dbraw/zinc/24/75/10/577247510.db2.gz GMLZKDCVSIJRHB-UHFFFAOYSA-N 1 0 328.803 2.975 20 10 EFCDRO CCOc1ccc(C[NH2+]Cc2ccccc2Cn2cncn2)c(O)c1 ZINC000725847892 577248061 /nfs/dbraw/zinc/24/80/61/577248061.db2.gz VXMBRFBWFOJBNF-UHFFFAOYSA-N 1 0 338.411 2.721 20 10 EFCDRO CCOc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)c(O)c1 ZINC000725850205 577249984 /nfs/dbraw/zinc/24/99/84/577249984.db2.gz QPBQMKUPKROSGS-SFHVURJKSA-N 1 0 340.423 2.682 20 10 EFCDRO COc1cccc(O)c1C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000768205420 577260844 /nfs/dbraw/zinc/26/08/44/577260844.db2.gz DPZAZUHGGVQFJA-UHFFFAOYSA-N 1 0 342.439 2.869 20 10 EFCDRO COCCCNC(=O)C[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000768213805 577261082 /nfs/dbraw/zinc/26/10/82/577261082.db2.gz SZNDCBYOIJJCHX-UHFFFAOYSA-N 1 0 342.439 2.644 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000768218429 577261282 /nfs/dbraw/zinc/26/12/82/577261282.db2.gz NXEODHCEAXDXFV-AWEZNQCLSA-N 1 0 338.411 2.823 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000768248440 577262763 /nfs/dbraw/zinc/26/27/63/577262763.db2.gz DQUGFAUOBYQBEO-ZDUSSCGKSA-N 1 0 336.432 2.842 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H](C)Cc3cnn(C)c3)CC2)cc1 ZINC000768402284 577271628 /nfs/dbraw/zinc/27/16/28/577271628.db2.gz JBDIHPYQFORAAH-OAHLLOKOSA-N 1 0 328.460 2.618 20 10 EFCDRO CCOc1ccc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)cc1 ZINC000768437987 577273534 /nfs/dbraw/zinc/27/35/34/577273534.db2.gz MQWFCGYCFJPASD-SFHVURJKSA-N 1 0 329.396 2.849 20 10 EFCDRO C[N@H+](CCOc1cccc(Cl)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440604 577273732 /nfs/dbraw/zinc/27/37/32/577273732.db2.gz ASQZMKASHKOLRU-KRWDZBQOSA-N 1 0 349.814 2.982 20 10 EFCDRO CC1CCC([NH+]2CCN(Cc3cc4c(cc3O)OC[C@H]4O)CC2)CC1 ZINC000768445003 577274001 /nfs/dbraw/zinc/27/40/01/577274001.db2.gz DXJJZVAIDACBKK-GSQSYGFSSA-N 1 0 346.471 2.514 20 10 EFCDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OC[C@@H]3O)n1 ZINC000768463662 577276026 /nfs/dbraw/zinc/27/60/26/577276026.db2.gz VNZMXCBUOVBQMA-WMZOPIPTSA-N 1 0 326.396 2.859 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC000768532158 577281022 /nfs/dbraw/zinc/28/10/22/577281022.db2.gz MEIMPUJSXDMXRF-OAHLLOKOSA-N 1 0 333.350 2.926 20 10 EFCDRO C[C@H](Cn1cccn1)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768689507 577295324 /nfs/dbraw/zinc/29/53/24/577295324.db2.gz HZRMADAOIOLBDA-PBHICJAKSA-N 1 0 348.878 2.885 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]C3CC(C(F)F)C3)cc2F)CC1 ZINC000768690984 577295491 /nfs/dbraw/zinc/29/54/91/577295491.db2.gz YRIVRJGBGIRZDW-UHFFFAOYSA-N 1 0 328.378 2.920 20 10 EFCDRO COc1ccc(N2CCC[N@H+](Cc3ccc(N(C)C)nc3)CC2)cc1 ZINC000768999072 577323311 /nfs/dbraw/zinc/32/33/11/577323311.db2.gz SXMARWDMOKJVLN-UHFFFAOYSA-N 1 0 340.471 2.869 20 10 EFCDRO CC(C)(C)[N@@H+]1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000769184610 577342534 /nfs/dbraw/zinc/34/25/34/577342534.db2.gz AUVJJGZNLXZLAV-UHFFFAOYSA-N 1 0 331.504 2.829 20 10 EFCDRO CC(C)[NH2+]C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000769233628 577345975 /nfs/dbraw/zinc/34/59/75/577345975.db2.gz TWRIGBZKMJUBMI-UHFFFAOYSA-N 1 0 335.467 2.625 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCCN(Cc3cscn3)CC2)c(O)c1 ZINC000769318322 577351614 /nfs/dbraw/zinc/35/16/14/577351614.db2.gz UXYOAZNBQLCAPC-UHFFFAOYSA-N 1 0 347.484 2.955 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000769328480 577352467 /nfs/dbraw/zinc/35/24/67/577352467.db2.gz PUCRXZORVNAIPP-UXHICEINSA-N 1 0 331.504 2.564 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c(O)c1 ZINC000769336978 577353040 /nfs/dbraw/zinc/35/30/40/577353040.db2.gz AQUJOFYTQXAICJ-HNNXBMFYSA-N 1 0 342.443 2.708 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c(O)c1 ZINC000769338582 577353347 /nfs/dbraw/zinc/35/33/47/577353347.db2.gz QULTXKYCYNNVLN-MRXNPFEDSA-N 1 0 332.444 2.768 20 10 EFCDRO C[N@H+](CCn1ccccc1=O)Cc1ccc(N2CCCCC2)cc1 ZINC000726229213 577356976 /nfs/dbraw/zinc/35/69/76/577356976.db2.gz AMMUTTGDCDLNLR-UHFFFAOYSA-N 1 0 325.456 2.971 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NCC[N@H+](CC)C2CC2)cc1 ZINC000726234990 577357118 /nfs/dbraw/zinc/35/71/18/577357118.db2.gz QUJLLEXBJCSAMI-UHFFFAOYSA-N 1 0 332.492 2.816 20 10 EFCDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCc2ccccc2O)C1 ZINC000726237059 577357230 /nfs/dbraw/zinc/35/72/30/577357230.db2.gz JHTMBZRLSKOUPB-GASCZTMLSA-N 1 0 333.476 2.948 20 10 EFCDRO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000769413598 577360829 /nfs/dbraw/zinc/36/08/29/577360829.db2.gz JMLPOMPKFUDLAJ-HNNXBMFYSA-N 1 0 336.501 2.590 20 10 EFCDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769469461 577365109 /nfs/dbraw/zinc/36/51/09/577365109.db2.gz YVMIXFIWTITZPZ-GOSISDBHSA-N 1 0 333.432 2.932 20 10 EFCDRO c1ccc2[nH]c(C3C[NH+](Cc4ccc(N5CCOCC5)cc4)C3)nc2c1 ZINC000769481244 577365607 /nfs/dbraw/zinc/36/56/07/577365607.db2.gz TUVBXFPLUCCIJI-UHFFFAOYSA-N 1 0 348.450 2.999 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC3(CC2)[C@H](O)C[C@H]3OCC)c(O)c1 ZINC000769478718 577365658 /nfs/dbraw/zinc/36/56/58/577365658.db2.gz FREZWZFHHGNXKJ-QZTJIDSGSA-N 1 0 335.444 2.543 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCC)c(O)c1 ZINC000769478712 577365669 /nfs/dbraw/zinc/36/56/69/577365669.db2.gz FREZWZFHHGNXKJ-MSOLQXFVSA-N 1 0 335.444 2.543 20 10 EFCDRO CCOc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c(O)c1 ZINC000769482884 577365953 /nfs/dbraw/zinc/36/59/53/577365953.db2.gz KPPRMSZOPWQYDF-NVXWUHKLSA-N 1 0 341.473 2.579 20 10 EFCDRO CCOc1ccc(C[N@H+](C)CC(C)(C)CN2CCOCC2)c(O)c1 ZINC000769513477 577368996 /nfs/dbraw/zinc/36/89/96/577368996.db2.gz AJVJXRXBODDORR-UHFFFAOYSA-N 1 0 336.476 2.581 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000769542550 577371450 /nfs/dbraw/zinc/37/14/50/577371450.db2.gz KTVUPJMJPQGCTL-INIZCTEOSA-N 1 0 335.444 2.951 20 10 EFCDRO C[C@@H]([NH2+]CCO[C@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000769787192 577385023 /nfs/dbraw/zinc/38/50/23/577385023.db2.gz PRHXDVOEXKUWDA-APWZRJJASA-N 1 0 334.460 2.717 20 10 EFCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1O ZINC000770381828 577413989 /nfs/dbraw/zinc/41/39/89/577413989.db2.gz QECQYWMHKPDKIM-CRAIPNDOSA-N 1 0 333.432 2.788 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c(O)c1 ZINC000770382918 577414039 /nfs/dbraw/zinc/41/40/39/577414039.db2.gz FQLIUXWEAPCUQB-AEFFLSMTSA-N 1 0 345.443 2.613 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@@]2(CC(=O)OC)CCCOC2)cc1 ZINC000770680660 581125060 /nfs/dbraw/zinc/12/50/60/581125060.db2.gz VFIGOGPVIZCAAD-LJQANCHMSA-N 1 0 334.460 2.735 20 10 EFCDRO C[NH+]1CCN(c2ccc(/C=C3\N=C(C(C)(C)C)OC3=O)cc2)CC1 ZINC000771520625 581220272 /nfs/dbraw/zinc/22/02/72/581220272.db2.gz NSWLBTKQYOOCMF-SSZFMOIBSA-N 1 0 327.428 2.781 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000773101368 581396551 /nfs/dbraw/zinc/39/65/51/581396551.db2.gz BVDIQOUCDVNNHT-UONOGXRCSA-N 1 0 342.480 2.900 20 10 EFCDRO CC(C)[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773130979 581399564 /nfs/dbraw/zinc/39/95/64/581399564.db2.gz WEPWCMNVMFXUHA-OAHLLOKOSA-N 1 0 332.492 2.986 20 10 EFCDRO C[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000773211431 581405796 /nfs/dbraw/zinc/40/57/96/581405796.db2.gz RDRZKJZLVBJEPE-HNNXBMFYSA-N 1 0 344.503 2.987 20 10 EFCDRO C[C@@H](NC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773217070 581406510 /nfs/dbraw/zinc/40/65/10/581406510.db2.gz HCSHXDOBCGKRSY-JKSUJKDBSA-N 1 0 332.492 2.845 20 10 EFCDRO C[C@@H](NC(=O)NCCC1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000773371888 581424047 /nfs/dbraw/zinc/42/40/47/581424047.db2.gz LLMIKXHHDQLBSC-OAHLLOKOSA-N 1 0 332.492 2.845 20 10 EFCDRO C[C@H](NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC000773400654 581427167 /nfs/dbraw/zinc/42/71/67/581427167.db2.gz ANLPXNJNBPPEFM-ZVZYQTTQSA-N 1 0 332.492 2.986 20 10 EFCDRO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773610660 581450316 /nfs/dbraw/zinc/45/03/16/581450316.db2.gz FLWFQNRJVYBYEN-HOTGVXAUSA-N 1 0 332.492 2.845 20 10 EFCDRO CCN(C)c1ccc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000773728604 581458602 /nfs/dbraw/zinc/45/86/02/581458602.db2.gz DOYUTHRAPWITMG-FQEVSTJZSA-N 1 0 331.504 2.829 20 10 EFCDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](C(=O)NCCOC)CC[C@H]2C)cc1 ZINC000773748921 581461099 /nfs/dbraw/zinc/46/10/99/581461099.db2.gz GEEDEPBFDDHNEM-SJLPKXTDSA-N 1 0 347.503 2.506 20 10 EFCDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(N(C)CC)cc1)CC2 ZINC000773752653 581461434 /nfs/dbraw/zinc/46/14/34/581461434.db2.gz IRKPUJJVYWQEED-OALUTQOASA-N 1 0 332.488 2.895 20 10 EFCDRO CCN(C)c1ccc(CN2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000773754928 581461698 /nfs/dbraw/zinc/46/16/98/581461698.db2.gz SXPMODSNVJFCBE-UHFFFAOYSA-N 1 0 331.504 2.687 20 10 EFCDRO CCN(C)c1ccc(C[NH+]2CCN(c3nc(C)cc(C)n3)CC2)cc1 ZINC000773800056 581465283 /nfs/dbraw/zinc/46/52/83/581465283.db2.gz RQLJFOVDLLORQS-UHFFFAOYSA-N 1 0 339.487 2.872 20 10 EFCDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000774161483 581486246 /nfs/dbraw/zinc/48/62/46/581486246.db2.gz NMBRVKIVAILEOU-JKSUJKDBSA-N 1 0 342.399 3.000 20 10 EFCDRO C[C@H](NC(=S)NCC(C)(C)C[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000774251391 581488036 /nfs/dbraw/zinc/48/80/36/581488036.db2.gz PSGRPWISOOKDEJ-AWEZNQCLSA-N 1 0 336.549 2.866 20 10 EFCDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774256762 581488176 /nfs/dbraw/zinc/48/81/76/581488176.db2.gz OAALWQAJENIZJA-PBHICJAKSA-N 1 0 334.533 2.762 20 10 EFCDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774256770 581488184 /nfs/dbraw/zinc/48/81/84/581488184.db2.gz OAALWQAJENIZJA-YOEHRIQHSA-N 1 0 334.533 2.762 20 10 EFCDRO COc1c(O)c(CN2CC[N@H+](C)CC23CCCCC3)ccc1[N+](=O)[O-] ZINC000774915984 581504027 /nfs/dbraw/zinc/50/40/27/581504027.db2.gz WVWWJAPGFJKYAB-UHFFFAOYSA-N 1 0 349.431 2.759 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(-c2nn[nH]n2)cc1F ZINC000824617284 609332184 /nfs/dbraw/zinc/33/21/84/609332184.db2.gz GBUCQDPAIAPRFM-NSHDSACASA-N 1 0 339.374 2.792 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)Cc2cccc(F)c2)cc1C ZINC000237139802 1249586832 /nfs/dbraw/zinc/58/68/32/1249586832.db2.gz QTYPFYGFRGCESM-UHFFFAOYSA-N 1 0 330.403 2.591 20 10 EFCDRO COc1cc(C[NH2+]CCCN2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850006213 1250219161 /nfs/dbraw/zinc/21/91/61/1250219161.db2.gz PHDAPOCFCYVCIX-UHFFFAOYSA-N 1 0 336.476 2.510 20 10 EFCDRO C[S@@](=O)C1(C[NH2+]Cc2c(O)cccc2Br)CCC1 ZINC000706804672 1251264104 /nfs/dbraw/zinc/26/41/04/1251264104.db2.gz NJZICNLTYDNJAZ-GOSISDBHSA-N 1 0 332.263 2.546 20 10 EFCDRO COc1cc(C[NH2+]CCN2CCSCC2)c(O)c(C(C)(C)C)c1 ZINC000850133652 1250302333 /nfs/dbraw/zinc/30/23/33/1250302333.db2.gz IJPNFWPEDPSMAL-UHFFFAOYSA-N 1 0 338.517 2.837 20 10 EFCDRO COc1cc(C[NH2+]CCOC[C@@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000850137426 1250309843 /nfs/dbraw/zinc/30/98/43/1250309843.db2.gz OKGDUNUQWYRXAI-HNNXBMFYSA-N 1 0 337.460 2.984 20 10 EFCDRO COc1cc(C[NH2+][C@@H](C)[C@@H](CO)SC)c(O)c(C(C)(C)C)c1 ZINC000850153318 1250322699 /nfs/dbraw/zinc/32/26/99/1250322699.db2.gz WROOKRLNHDRMGQ-XHDPSFHLSA-N 1 0 327.490 2.900 20 10 EFCDRO COCCOC[C@H](C)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850159422 1250326119 /nfs/dbraw/zinc/32/61/19/1250326119.db2.gz FKTUVQTUVRZIOM-ZDUSSCGKSA-N 1 0 325.449 2.839 20 10 EFCDRO COc1cc(C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850172223 1250334818 /nfs/dbraw/zinc/33/48/18/1250334818.db2.gz XUPWUFMUBRLWLY-CYBMUJFWSA-N 1 0 332.444 2.551 20 10 EFCDRO COc1cc(C[NH2+][C@H](C)CCS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000850189893 1250346870 /nfs/dbraw/zinc/34/68/70/1250346870.db2.gz OVDOTNHBDZXEPZ-GFCCVEGCSA-N 1 0 343.489 2.611 20 10 EFCDRO COc1cc(C[NH2+][C@@H](C)[C@@H]2CN(C)CCO2)c(O)c(C(C)(C)C)c1 ZINC000850198654 1250349165 /nfs/dbraw/zinc/34/91/65/1250349165.db2.gz LCUJEYQHNBHZJF-GUYCJALGSA-N 1 0 336.476 2.507 20 10 EFCDRO CC(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001273284095 1265475412 /nfs/dbraw/zinc/47/54/12/1265475412.db2.gz FMJVLCJRSYMBBY-INIZCTEOSA-N 1 0 334.435 2.906 20 10 EFCDRO CC(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001273284096 1265476013 /nfs/dbraw/zinc/47/60/13/1265476013.db2.gz FMJVLCJRSYMBBY-MRXNPFEDSA-N 1 0 334.435 2.906 20 10 EFCDRO O=C(NCC(F)F)[C@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001273285021 1265476698 /nfs/dbraw/zinc/47/66/98/1265476698.db2.gz MNPHXZAUFBECTJ-CYBMUJFWSA-N 1 0 342.361 2.515 20 10 EFCDRO COc1cc(C[NH2+]CC2(CO)CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850222208 1250357752 /nfs/dbraw/zinc/35/77/52/1250357752.db2.gz SRQWEIFMVCLQAG-UHFFFAOYSA-N 1 0 337.460 2.577 20 10 EFCDRO CCNC(=O)C(C)(C)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850221313 1250358414 /nfs/dbraw/zinc/35/84/14/1250358414.db2.gz GFHDHLQYGKBRJG-UHFFFAOYSA-N 1 0 336.476 2.950 20 10 EFCDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850231037 1250365061 /nfs/dbraw/zinc/36/50/61/1250365061.db2.gz ICPONGWUTYAFNE-GOEBONIOSA-N 1 0 334.460 2.703 20 10 EFCDRO COc1cc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)c(O)c(C(C)(C)C)c1 ZINC000850319757 1250425720 /nfs/dbraw/zinc/42/57/20/1250425720.db2.gz FSQKPDGNLQCGJQ-RHSMWYFYSA-N 1 0 346.471 2.941 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3c(C4CC4)cnn3C)C2)cc1 ZINC000850331119 1250431585 /nfs/dbraw/zinc/43/15/85/1250431585.db2.gz XGTJHYKAZFSUCF-HNNXBMFYSA-N 1 0 340.471 2.922 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CC2(S(C)(=O)=O)CCCCC2)cc1F ZINC000850376150 1250453518 /nfs/dbraw/zinc/45/35/18/1250453518.db2.gz BELWYHLSZFSKDE-UHFFFAOYSA-N 1 0 342.480 2.729 20 10 EFCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000850400775 1250466762 /nfs/dbraw/zinc/46/67/62/1250466762.db2.gz NOOPQQWHOHQSLU-LJQANCHMSA-N 1 0 336.451 2.957 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cn4ccccc4n3)cc2)CC1 ZINC000850406017 1250468061 /nfs/dbraw/zinc/46/80/61/1250468061.db2.gz OJJKRHKCKCEAQF-UHFFFAOYSA-N 1 0 336.439 2.585 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]Cc3nc4c(s3)CCC4)cc2)CC1 ZINC000850406661 1250469891 /nfs/dbraw/zinc/46/98/91/1250469891.db2.gz PBNNQPHRCAEPQU-UHFFFAOYSA-N 1 0 343.496 2.883 20 10 EFCDRO COc1cccc(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)c1O ZINC000850418721 1250475924 /nfs/dbraw/zinc/47/59/24/1250475924.db2.gz PLXIOYQJYTZQJV-ZDUSSCGKSA-N 1 0 327.302 2.641 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCn4nccc43)C2)cc1 ZINC000850474697 1250497209 /nfs/dbraw/zinc/49/72/09/1250497209.db2.gz RDCJDMYTTZLYPJ-CRAIPNDOSA-N 1 0 326.444 2.843 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850546000 1250531963 /nfs/dbraw/zinc/53/19/63/1250531963.db2.gz VLAOYPQRAZHIIZ-HOCLYGCPSA-N 1 0 336.451 2.722 20 10 EFCDRO CCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000850556058 1250533974 /nfs/dbraw/zinc/53/39/74/1250533974.db2.gz QJFJHZHCJFISHZ-RDJZCZTQSA-N 1 0 335.467 2.797 20 10 EFCDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000850565842 1250539863 /nfs/dbraw/zinc/53/98/63/1250539863.db2.gz IFQHSSGUOBCPSS-UYAOXDASSA-N 1 0 332.488 2.941 20 10 EFCDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n(C)n1 ZINC000850567979 1250540668 /nfs/dbraw/zinc/54/06/68/1250540668.db2.gz NCEHQXILEMPLDL-OAHLLOKOSA-N 1 0 328.460 2.540 20 10 EFCDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C12CCC2 ZINC000850567746 1250541330 /nfs/dbraw/zinc/54/13/30/1250541330.db2.gz IGZMMOIOPCQEFF-RBUKOAKNSA-N 1 0 330.472 2.695 20 10 EFCDRO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568031 1250541514 /nfs/dbraw/zinc/54/15/14/1250541514.db2.gz OCTNEIMWAAPHQK-HXUWFJFHSA-N 1 0 342.487 2.659 20 10 EFCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@H]([NH3+])CC3CCCCC3)C2)cc1 ZINC000851639613 1251161455 /nfs/dbraw/zinc/16/14/55/1251161455.db2.gz ICGBJKQQVBBADU-VQIMIIECSA-N 1 0 345.487 2.688 20 10 EFCDRO OC[C@H](CC(F)(F)F)[NH2+]Cc1c(O)cccc1Br ZINC000717713286 1251368168 /nfs/dbraw/zinc/36/81/68/1251368168.db2.gz LJPDOUDIVRJBKQ-ZETCQYMHSA-N 1 0 328.128 2.558 20 10 EFCDRO C[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1cc(F)ccc1O ZINC000186025165 1253961709 /nfs/dbraw/zinc/96/17/09/1253961709.db2.gz UUWMTHCGKPCXKU-JTQLQIEISA-N 1 0 338.329 2.890 20 10 EFCDRO CC(C)[NH2+][C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1(C)C ZINC000996693555 1255756254 /nfs/dbraw/zinc/75/62/54/1255756254.db2.gz ZBKBCVFDLPDPPX-AWEZNQCLSA-N 1 0 331.420 2.698 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)C3CC(OC)C3)CC2)cc1C ZINC000996698914 1255770822 /nfs/dbraw/zinc/77/08/22/1255770822.db2.gz IHTODTUQKRLFGL-UHFFFAOYSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1cccc(C[NH2+]CCn2nc(C(F)(F)F)cc2C)c1O ZINC000922428769 1265999304 /nfs/dbraw/zinc/99/93/04/1265999304.db2.gz IXYQTMUQUAZFDR-UHFFFAOYSA-N 1 0 329.322 2.714 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H](OC)C(C)C)CC2)cc1C ZINC000996957266 1256566393 /nfs/dbraw/zinc/56/63/93/1256566393.db2.gz QAVBPEBEHDLPFB-IBGZPJMESA-N 1 0 348.487 2.755 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CC[C@@H](C)O3)CC2)cc1C ZINC000997032529 1256715487 /nfs/dbraw/zinc/71/54/87/1256715487.db2.gz ZTERMBOCZDHUEP-DNVCBOLYSA-N 1 0 346.471 2.652 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CC34CC4)CC2)cc1C ZINC000997039969 1256725792 /nfs/dbraw/zinc/72/57/92/1256725792.db2.gz FPKPDIBYPMCVRJ-QGZVFWFLSA-N 1 0 328.456 2.884 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)Cc3ccco3)CC2)cc1C ZINC000997111788 1256925270 /nfs/dbraw/zinc/92/52/70/1256925270.db2.gz PEMXWLVIGWBCOS-UHFFFAOYSA-N 1 0 342.439 2.920 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3nccs3)CC2)cc1C ZINC000997119217 1256973877 /nfs/dbraw/zinc/97/38/77/1256973877.db2.gz PVQXDGDVLFJZCU-UHFFFAOYSA-N 1 0 345.468 2.855 20 10 EFCDRO CS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921562750 1257480476 /nfs/dbraw/zinc/48/04/76/1257480476.db2.gz IMPDONMAGYVGES-UHFFFAOYSA-N 1 0 345.464 2.846 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)COc1cccc(F)c1 ZINC000921587129 1257511423 /nfs/dbraw/zinc/51/14/23/1257511423.db2.gz QEJUYRGNMIKXRD-QGZVFWFLSA-N 1 0 331.387 2.680 20 10 EFCDRO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC[NH+](CCF)CC1 ZINC000997438331 1257582057 /nfs/dbraw/zinc/58/20/57/1257582057.db2.gz GDHUOWDEQPMAFM-GFCCVEGCSA-N 1 0 349.410 2.649 20 10 EFCDRO COCCCN1CCC2(CC[NH+](Cc3ccc(C)cc3O)CC2)C1=O ZINC001272764585 1257676283 /nfs/dbraw/zinc/67/62/83/1257676283.db2.gz BJKMCRMGHRVBCI-UHFFFAOYSA-N 1 0 346.471 2.552 20 10 EFCDRO CCCCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(C)cc1O)C2 ZINC001272766228 1257700423 /nfs/dbraw/zinc/70/04/23/1257700423.db2.gz MSLUUCADYHAHNE-FQEVSTJZSA-N 1 0 346.471 2.552 20 10 EFCDRO Cc1ccc(C[N@@H+]2CCC[C@@]23CCN(CC(F)(F)F)C3=O)c(O)c1 ZINC001272767028 1257724682 /nfs/dbraw/zinc/72/46/82/1257724682.db2.gz WOHOOYYPIYVQHE-INIZCTEOSA-N 1 0 342.361 2.830 20 10 EFCDRO CCOc1cccc(C[NH2+][C@@H](C)C2CCN(C(=O)OC)CC2)c1O ZINC000186367177 1259295441 /nfs/dbraw/zinc/29/54/41/1259295441.db2.gz UWKPJXOWMZPKGO-ZDUSSCGKSA-N 1 0 336.432 2.747 20 10 EFCDRO CCOc1cccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)c1O ZINC000131563924 1259352313 /nfs/dbraw/zinc/35/23/13/1259352313.db2.gz AZEGEIQOUNSJQS-MRXNPFEDSA-N 1 0 332.444 2.814 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCC(C[NH2+]CC3CC3)CC2)cc1 ZINC000998294183 1259393074 /nfs/dbraw/zinc/39/30/74/1259393074.db2.gz DXORIQHSEYDKHZ-UHFFFAOYSA-N 1 0 343.431 2.701 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3ccncc3)C2)cc1C ZINC000998368232 1259465707 /nfs/dbraw/zinc/46/57/07/1259465707.db2.gz GJPUHTHNLMABMH-UHFFFAOYSA-N 1 0 339.439 2.791 20 10 EFCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(F)c1 ZINC000922567301 1266272883 /nfs/dbraw/zinc/27/28/83/1266272883.db2.gz SVECVAHLDDXYCY-HXUWFJFHSA-N 1 0 344.430 2.660 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CCCO3)C2)cc1C ZINC000998496049 1259590196 /nfs/dbraw/zinc/59/01/96/1259590196.db2.gz CVPXJHQJHYHUIM-DAWZGUTISA-N 1 0 346.471 2.652 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3ccc[nH]3)C2)cc1C ZINC000998522700 1259633276 /nfs/dbraw/zinc/63/32/76/1259633276.db2.gz VIHTZZWUDOGTOX-INIZCTEOSA-N 1 0 327.428 2.726 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3cc(C)no3)C2)cc1C ZINC000998534551 1259649429 /nfs/dbraw/zinc/64/94/29/1259649429.db2.gz JLOJRUJMHKQEGG-INIZCTEOSA-N 1 0 343.427 2.694 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCOC3)C2)cc1C ZINC000998721026 1259864332 /nfs/dbraw/zinc/86/43/32/1259864332.db2.gz KOAWLIINIUTDOL-ZWKOTPCHSA-N 1 0 346.471 2.511 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)cc1F ZINC000131669591 1260993778 /nfs/dbraw/zinc/99/37/78/1260993778.db2.gz PQVKRMBKUTUDRX-QGZVFWFLSA-N 1 0 333.451 2.915 20 10 EFCDRO COc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)c(OC)c1OC ZINC001203465916 1261272718 /nfs/dbraw/zinc/27/27/18/1261272718.db2.gz AEJWZQNNVWMORQ-UHFFFAOYSA-N 1 0 329.396 2.976 20 10 EFCDRO CC[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001272902567 1261293765 /nfs/dbraw/zinc/29/37/65/1261293765.db2.gz FCLXAKMMISZPED-AUUYWEPGSA-N 1 0 332.444 2.853 20 10 EFCDRO CCCCN1CC[C@]2(CC[N@H+](Cc3ccc(N(C)C)cc3)C2)C1=O ZINC001272916452 1261326470 /nfs/dbraw/zinc/32/64/70/1261326470.db2.gz IJMZFXJOGMJLIJ-FQEVSTJZSA-N 1 0 329.488 2.977 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NC)CC2)cc1 ZINC001272916468 1261326492 /nfs/dbraw/zinc/32/64/92/1261326492.db2.gz IXVNDMCEWDJOBV-GOSISDBHSA-N 1 0 329.488 2.881 20 10 EFCDRO COC(=O)COc1ccccc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000921748155 1261355203 /nfs/dbraw/zinc/35/52/03/1261355203.db2.gz SZAZSLGCASVWEB-UHFFFAOYSA-N 1 0 342.439 2.903 20 10 EFCDRO C/C=C(/C)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001078371602 1261717899 /nfs/dbraw/zinc/71/78/99/1261717899.db2.gz FJRDTVAJRUMZGJ-ZPZLLIBOSA-N 1 0 346.471 2.677 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](NC(=O)C3CC3)C23CCC3)cc1C ZINC001078526511 1261896081 /nfs/dbraw/zinc/89/60/81/1261896081.db2.gz PNMYVROFBQPVER-QZTJIDSGSA-N 1 0 328.456 2.931 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C(F)F)C23CCC3)cc1C ZINC001078524738 1261925805 /nfs/dbraw/zinc/92/58/05/1261925805.db2.gz WLBXKZDWEJBESW-LSDHHAIUSA-N 1 0 338.398 2.786 20 10 EFCDRO CCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C12CCC2 ZINC001078823672 1262411037 /nfs/dbraw/zinc/41/10/37/1262411037.db2.gz RWMUEUHUTOPRLG-LSDHHAIUSA-N 1 0 343.431 2.890 20 10 EFCDRO O=C(C1CCCC1)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921850386 1262627411 /nfs/dbraw/zinc/62/74/11/1262627411.db2.gz SSQIASPZHSDYOM-SFHVURJKSA-N 1 0 328.456 2.892 20 10 EFCDRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921936083 1263568565 /nfs/dbraw/zinc/56/85/65/1263568565.db2.gz NGKHQZOQGMJYON-RBUKOAKNSA-N 1 0 327.424 2.586 20 10 EFCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)c(O)c1 ZINC000922708924 1266631894 /nfs/dbraw/zinc/63/18/94/1266631894.db2.gz MVJRQJNRXYMMEV-ZDUSSCGKSA-N 1 0 332.366 2.907 20 10 EFCDRO COCC[N@@H+]1CC[C@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000730785445 1264441969 /nfs/dbraw/zinc/44/19/69/1264441969.db2.gz AXRZPZGWSQNQFT-HNNXBMFYSA-N 1 0 347.484 2.606 20 10 EFCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc4c(c3)CCCO4)[C@H]2C1 ZINC000922134717 1264483692 /nfs/dbraw/zinc/48/36/92/1264483692.db2.gz ROGCAWGDNVQWRC-FHWLQOOXSA-N 1 0 328.456 2.748 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(=O)NCCc1ccccc1 ZINC000922164292 1264734131 /nfs/dbraw/zinc/73/41/31/1264734131.db2.gz JDMOWXGHWSVZON-INIZCTEOSA-N 1 0 338.451 2.849 20 10 EFCDRO CN1c2ccccc2C2(CC[NH+](Cc3ccc(O)cc3O)CC2)C1=O ZINC001272987560 1264736665 /nfs/dbraw/zinc/73/66/65/1264736665.db2.gz DFOBUUBIMQBXGZ-UHFFFAOYSA-N 1 0 338.407 2.608 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cnc2n1CCOC2 ZINC000922187191 1264814453 /nfs/dbraw/zinc/81/44/53/1264814453.db2.gz DMLZJKIJSMNARW-OAHLLOKOSA-N 1 0 328.460 2.509 20 10 EFCDRO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000824689154 1278246858 /nfs/dbraw/zinc/24/68/58/1278246858.db2.gz KRANQWMJOHKGQS-LBPRGKRZSA-N 1 0 342.233 2.740 20 10 EFCDRO CO[C@H](C[NH2+]Cc1cc(Br)ccc1O)C(F)(F)F ZINC000733329369 1265173009 /nfs/dbraw/zinc/17/30/09/1265173009.db2.gz RKCRVHZYVZLHCJ-SNVBAGLBSA-N 1 0 328.128 2.822 20 10 EFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C3CCCCCC3)cc2)CC1 ZINC000733330938 1265173215 /nfs/dbraw/zinc/17/32/15/1265173215.db2.gz TYJVOLICUBDQBE-UHFFFAOYSA-N 1 0 336.501 2.734 20 10 EFCDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000733329538 1265173286 /nfs/dbraw/zinc/17/32/86/1265173286.db2.gz VANAUUAPYZRCKF-AWEZNQCLSA-N 1 0 333.453 2.972 20 10 EFCDRO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]Cc1cc(C)ccc1O ZINC000922284494 1265283906 /nfs/dbraw/zinc/28/39/06/1265283906.db2.gz QBMXXOXSWSQDBX-CQSZACIVSA-N 1 0 329.396 2.931 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCOC2)cc1C ZINC001085146895 1265308789 /nfs/dbraw/zinc/30/87/89/1265308789.db2.gz GNJBCFDVYIOPHT-RCCFBDPRSA-N 1 0 346.471 2.557 20 10 EFCDRO CCCCN1C[C@]2(CC[N@H+](Cc3c(C)ccc(C)c3O)C2)OCC1=O ZINC001273049224 1266792157 /nfs/dbraw/zinc/79/21/57/1266792157.db2.gz QFOWTFCBDMDGOQ-HXUWFJFHSA-N 1 0 346.471 2.612 20 10 EFCDRO CC1CCC([NH+]2CCN(Cc3cc4c(cc3O)OCO4)CC2)CC1 ZINC000734478395 1266996152 /nfs/dbraw/zinc/99/61/52/1266996152.db2.gz NLPODYCZSQYTPR-UHFFFAOYSA-N 1 0 332.444 2.817 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000734510191 1266997190 /nfs/dbraw/zinc/99/71/90/1266997190.db2.gz SYNBNHIWGJNADD-UHFFFAOYSA-N 1 0 347.484 2.722 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000734687318 1267065245 /nfs/dbraw/zinc/06/52/45/1267065245.db2.gz USUIZYCZAFKYOX-QGZVFWFLSA-N 1 0 332.492 2.733 20 10 EFCDRO OC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000734851103 1267133916 /nfs/dbraw/zinc/13/39/16/1267133916.db2.gz VLYXYJNTTOFFFH-GOSISDBHSA-N 1 0 348.393 2.625 20 10 EFCDRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC000824856327 1278316151 /nfs/dbraw/zinc/31/61/51/1278316151.db2.gz VTUJSMWBYWDMCF-GFCCVEGCSA-N 1 0 329.849 2.835 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000825111685 1278414259 /nfs/dbraw/zinc/41/42/59/1278414259.db2.gz ONHSPZINQKGKMB-UONOGXRCSA-N 1 0 340.423 2.857 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000825111682 1278414739 /nfs/dbraw/zinc/41/47/39/1278414739.db2.gz ONHSPZINQKGKMB-KBPBESRZSA-N 1 0 340.423 2.857 20 10 EFCDRO COc1cccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)c1O ZINC000825118053 1278418265 /nfs/dbraw/zinc/41/82/65/1278418265.db2.gz OGVYDOAVMWANFE-OIISXLGYSA-N 1 0 345.443 2.884 20 10 EFCDRO COc1ncc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1C ZINC001137004544 1278465270 /nfs/dbraw/zinc/46/52/70/1278465270.db2.gz CXUWQCSFUVIYFC-UHFFFAOYSA-N 1 0 341.455 2.867 20 10 EFCDRO CC(C)=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994700 1269449936 /nfs/dbraw/zinc/44/99/36/1269449936.db2.gz RXMPWFOAPKUCNP-INIZCTEOSA-N 1 0 343.431 2.962 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CC[NH2+]C3(C)C)c2C)cc1 ZINC000825256779 1278487582 /nfs/dbraw/zinc/48/75/82/1278487582.db2.gz GXJZSODCXSAEJN-GOSISDBHSA-N 1 0 341.455 2.973 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3ccoc3)C2)cc1C ZINC001086028679 1269583296 /nfs/dbraw/zinc/58/32/96/1269583296.db2.gz YPSSHGHVMDZCHK-WOVMCDHWSA-N 1 0 328.412 2.895 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000171646262 1269616293 /nfs/dbraw/zinc/61/62/93/1269616293.db2.gz SDIHDAGPHJPYNB-UHFFFAOYSA-N 1 0 332.492 2.674 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)C(=O)NC(=O)NC(C)C)cc1 ZINC000741678331 1269655222 /nfs/dbraw/zinc/65/52/22/1269655222.db2.gz OOIXTKDMWFCIEE-OAHLLOKOSA-N 1 0 348.491 2.587 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)C(=O)NC ZINC000825316604 1278503703 /nfs/dbraw/zinc/50/37/03/1278503703.db2.gz PYMHDMOQNICBJS-KRWDZBQOSA-N 1 0 331.485 2.999 20 10 EFCDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1c(O)ccc2c1CCCC2 ZINC000741874040 1269745299 /nfs/dbraw/zinc/74/52/99/1269745299.db2.gz HQRWLUQJHDYURG-OAHLLOKOSA-N 1 0 347.528 2.719 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3coc(C)n3)C2)cc1C ZINC001086068559 1269762489 /nfs/dbraw/zinc/76/24/89/1269762489.db2.gz DLYKUUMDCBIKNQ-IYBDPMFKSA-N 1 0 343.427 2.598 20 10 EFCDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000825332413 1278509627 /nfs/dbraw/zinc/50/96/27/1278509627.db2.gz WMBPFOLLYVCQMV-KRWDZBQOSA-N 1 0 335.467 2.577 20 10 EFCDRO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033700078 1269866993 /nfs/dbraw/zinc/86/69/93/1269866993.db2.gz ULDWWVWYNQXBMU-MRXNPFEDSA-N 1 0 343.431 2.795 20 10 EFCDRO C[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000825312651 1278516195 /nfs/dbraw/zinc/51/61/95/1278516195.db2.gz WEZMMRQPXHZUFO-ZBFHGGJFSA-N 1 0 333.432 2.788 20 10 EFCDRO CC(C)=CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033699028 1269906542 /nfs/dbraw/zinc/90/65/42/1269906542.db2.gz IQPMHGUYFDFRLY-INIZCTEOSA-N 1 0 343.431 2.962 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cc[nH]c3)C2)cc1C ZINC001086094239 1269926484 /nfs/dbraw/zinc/92/64/84/1269926484.db2.gz CKNMDVAAECTUCJ-WOVMCDHWSA-N 1 0 327.428 2.630 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3ccns3)C2)cc1C ZINC001086099283 1269966043 /nfs/dbraw/zinc/96/60/43/1269966043.db2.gz UITULFAZRFUQBD-GASCZTMLSA-N 1 0 345.468 2.758 20 10 EFCDRO CON(C)C(=O)[C@H](CCSC)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825364686 1278523284 /nfs/dbraw/zinc/52/32/84/1278523284.db2.gz ANEFJBUZRFUKRQ-ZDUSSCGKSA-N 1 0 346.880 2.585 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3ccsn3)C2)cc1C ZINC001086116840 1270050458 /nfs/dbraw/zinc/05/04/58/1270050458.db2.gz JPOKHZMBSKQABR-GASCZTMLSA-N 1 0 345.468 2.758 20 10 EFCDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000743130657 1270432717 /nfs/dbraw/zinc/43/27/17/1270432717.db2.gz RYMHKCKHTBNEQF-OAHLLOKOSA-N 1 0 345.487 2.801 20 10 EFCDRO CCCCC[N@H+](CC(N)=O)Cc1ccc(Br)cc1O ZINC000825468979 1278559042 /nfs/dbraw/zinc/55/90/42/1278559042.db2.gz RHVFZJQSQYSNIV-UHFFFAOYSA-N 1 0 329.238 2.632 20 10 EFCDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000825502575 1278573903 /nfs/dbraw/zinc/57/39/03/1278573903.db2.gz YRQDGWOOVPUUCC-VHSXEESVSA-N 1 0 330.222 2.832 20 10 EFCDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000825502572 1278573999 /nfs/dbraw/zinc/57/39/99/1278573999.db2.gz YRQDGWOOVPUUCC-NXEZZACHSA-N 1 0 330.222 2.832 20 10 EFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)[C@H]1OC ZINC000825513111 1278578717 /nfs/dbraw/zinc/57/87/17/1278578717.db2.gz BSWJPMFKJVHCOU-JFIYKMOQSA-N 1 0 337.460 2.980 20 10 EFCDRO Cc1cc(O)c(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)cc1Cl ZINC000825520290 1278582143 /nfs/dbraw/zinc/58/21/43/1278582143.db2.gz ZMEXKYKXSMPWPR-MRXNPFEDSA-N 1 0 329.824 2.536 20 10 EFCDRO Cc1cc(C(=O)NCC[N@H+]2CC[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000744799804 1271188502 /nfs/dbraw/zinc/18/85/02/1271188502.db2.gz RIWPFGPKPYFYKR-AWEZNQCLSA-N 1 0 326.444 2.561 20 10 EFCDRO Cc1cc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000744799805 1271188923 /nfs/dbraw/zinc/18/89/23/1271188923.db2.gz RIWPFGPKPYFYKR-CQSZACIVSA-N 1 0 326.444 2.561 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3ccns3)C2)cc1C ZINC001086379404 1271229490 /nfs/dbraw/zinc/22/94/90/1271229490.db2.gz UITULFAZRFUQBD-SHTZXODSSA-N 1 0 345.468 2.758 20 10 EFCDRO O=C(NCCC[NH+]1CCCC1)NCc1c(O)ccc2c1CCCC2 ZINC000745342832 1271439157 /nfs/dbraw/zinc/43/91/57/1271439157.db2.gz MHKDWTNHFKGRGM-UHFFFAOYSA-N 1 0 331.460 2.556 20 10 EFCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000792193273 1278633721 /nfs/dbraw/zinc/63/37/21/1278633721.db2.gz UQJYQJMBIAPION-MRXNPFEDSA-N 1 0 341.329 2.984 20 10 EFCDRO COc1ccc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000702554625 1271479198 /nfs/dbraw/zinc/47/91/98/1271479198.db2.gz WVLBVKHMUXBZRE-NRFANRHFSA-N 1 0 340.467 2.730 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000745656477 1271542763 /nfs/dbraw/zinc/54/27/63/1271542763.db2.gz WVQARESKZXBKLW-SFHVURJKSA-N 1 0 332.492 2.816 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000745656476 1271542804 /nfs/dbraw/zinc/54/28/04/1271542804.db2.gz WVQARESKZXBKLW-GOSISDBHSA-N 1 0 332.492 2.816 20 10 EFCDRO COc1cc(C(=O)N[C@@H]2CCCC[N@H+](CC=C(C)C)C2)cc(OC)n1 ZINC001034287896 1271566947 /nfs/dbraw/zinc/56/69/47/1271566947.db2.gz CPCZPGZQOFITGS-MRXNPFEDSA-N 1 0 347.459 2.649 20 10 EFCDRO C[C@@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)[NH+]1CCCCC1 ZINC000745697932 1271567374 /nfs/dbraw/zinc/56/73/74/1271567374.db2.gz RQYXIYLQULUVAK-HNNXBMFYSA-N 1 0 345.487 2.945 20 10 EFCDRO C[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000746168359 1271873053 /nfs/dbraw/zinc/87/30/53/1271873053.db2.gz OLMUKZHGFBIVLF-ZACQAIPSSA-N 1 0 345.487 2.573 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCO3)CC2)cc1C ZINC001034585063 1272299763 /nfs/dbraw/zinc/29/97/63/1272299763.db2.gz DXZYJVHETXDCBM-LNLFQRSKSA-N 1 0 346.471 2.700 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)c3ncc[nH]3)CC2)cc1C ZINC001034645046 1272433758 /nfs/dbraw/zinc/43/37/58/1272433758.db2.gz UFTQTLLLCZFGSJ-WKILWMFISA-N 1 0 342.443 2.558 20 10 EFCDRO COc1cc(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCC3)CC2)cc(OC)n1 ZINC001034680367 1272561899 /nfs/dbraw/zinc/56/18/99/1272561899.db2.gz ICPLLDVFOCNXCR-WKILWMFISA-N 1 0 347.459 2.530 20 10 EFCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CO1 ZINC001169318091 1272800644 /nfs/dbraw/zinc/80/06/44/1272800644.db2.gz CCBPDWBVKRYXND-HKUYNNGSSA-N 1 0 346.471 2.877 20 10 EFCDRO CCN(CC)C(=O)C[C@H](C)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001169445861 1272921756 /nfs/dbraw/zinc/92/17/56/1272921756.db2.gz CEICJNXARNTPCX-INIZCTEOSA-N 1 0 347.503 2.593 20 10 EFCDRO CCN(CC)C(=O)C[C@H](C)[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001169487085 1272977117 /nfs/dbraw/zinc/97/71/17/1272977117.db2.gz PMCGUGKOEHSKOH-KRWDZBQOSA-N 1 0 347.503 2.773 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC3)CC2)cc1 ZINC001034801156 1272997069 /nfs/dbraw/zinc/99/70/69/1272997069.db2.gz NVWRTQJXEHMPII-SHTZXODSSA-N 1 0 343.431 2.890 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2cc(C)on2)cc1C ZINC001034853998 1273104602 /nfs/dbraw/zinc/10/46/02/1273104602.db2.gz RMPAWLODJIXIML-MRXNPFEDSA-N 1 0 343.427 2.694 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C)SC)cc1C ZINC001034868345 1273154609 /nfs/dbraw/zinc/15/46/09/1273154609.db2.gz YSLYKJWWVISRBI-GDBMZVCRSA-N 1 0 336.501 2.836 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C1CC1)C1CCCC1)cc2=O ZINC000103466211 1273249903 /nfs/dbraw/zinc/24/99/03/1273249903.db2.gz BFLWKNIYOYPDNL-UHFFFAOYSA-N 1 0 344.415 2.519 20 10 EFCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000844167203 1278776913 /nfs/dbraw/zinc/77/69/13/1278776913.db2.gz VKQLSPKGBMMMIJ-MRXNPFEDSA-N 1 0 339.430 2.736 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000691445146 1274055399 /nfs/dbraw/zinc/05/53/99/1274055399.db2.gz OPEBZCOONZHXKZ-UONOGXRCSA-N 1 0 325.250 2.871 20 10 EFCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000705684326 1274167685 /nfs/dbraw/zinc/16/76/85/1274167685.db2.gz GGNGMDKGWJBOHO-IBGZPJMESA-N 1 0 346.858 2.772 20 10 EFCDRO COc1cc2[nH+]ccc(NCc3ccc(O)c(O)c3)c2cc1OC ZINC001169994559 1274197157 /nfs/dbraw/zinc/19/71/57/1274197157.db2.gz FNIOPSRQKRBUDB-UHFFFAOYSA-N 1 0 326.352 2.697 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3ccc[nH]3)C2)cc1C ZINC001090925395 1278857997 /nfs/dbraw/zinc/85/79/97/1278857997.db2.gz QZJXYPJATMADCG-UHFFFAOYSA-N 1 0 327.428 2.630 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CSC)C[C@@H]2C)cc1C ZINC001035905120 1274649316 /nfs/dbraw/zinc/64/93/16/1274649316.db2.gz DNDVSYGEAHJZBP-GOEBONIOSA-N 1 0 336.501 2.693 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(Br)cc1O)C(=O)NC(C)(C)C ZINC000691500325 1274731744 /nfs/dbraw/zinc/73/17/44/1274731744.db2.gz GDIKRZQNUZERQZ-VIFPVBQESA-N 1 0 329.238 2.548 20 10 EFCDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccc(Br)cc1O ZINC000691503142 1274779451 /nfs/dbraw/zinc/77/94/51/1274779451.db2.gz YAMJSNKMJOIQGD-JTQLQIEISA-N 1 0 329.238 2.549 20 10 EFCDRO CC[C@@H]1C[C@H]([NH+]2CCN(c3ccc(OC)cc3OC)CC2)CCO1 ZINC001170237844 1278922412 /nfs/dbraw/zinc/92/24/12/1278922412.db2.gz JQODZTFDEGALFM-HZPDHXFCSA-N 1 0 334.460 2.783 20 10 EFCDRO CC(=O)NCC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000707145841 1275318062 /nfs/dbraw/zinc/31/80/62/1275318062.db2.gz IVKHABPWXXHZPU-UHFFFAOYSA-N 1 0 341.249 2.503 20 10 EFCDRO CCN(CCC[NH+](C)C)C(=O)NCCCSc1nccs1 ZINC000786788568 1275529566 /nfs/dbraw/zinc/52/95/66/1275529566.db2.gz GHDCSEVCUYXKQN-UHFFFAOYSA-N 1 0 330.523 2.609 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2[C@H](C)CCCN2C(=O)C(F)F)cc1C ZINC001036479191 1275728824 /nfs/dbraw/zinc/72/88/24/1275728824.db2.gz IXFIJIHYHJCDMI-DOMZBBRYSA-N 1 0 340.414 2.985 20 10 EFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)[C@H]1C ZINC000787239942 1275731167 /nfs/dbraw/zinc/73/11/67/1275731167.db2.gz PKLZTFCMPWSMQO-SWLSCSKDSA-N 1 0 329.396 2.937 20 10 EFCDRO CC(C)CN1C[C@H]2CN(Cc3c(O)cccc3Cl)CCN2C1=O ZINC000787288896 1275734866 /nfs/dbraw/zinc/73/48/66/1275734866.db2.gz PMKZRPZRKQCVOM-CYBMUJFWSA-N 1 0 337.851 2.623 20 10 EFCDRO CC(C)CN1C[C@@H]2CN(Cc3c(O)cccc3Cl)CCN2C1=O ZINC000787288897 1275735448 /nfs/dbraw/zinc/73/54/48/1275735448.db2.gz PMKZRPZRKQCVOM-ZDUSSCGKSA-N 1 0 337.851 2.623 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(O)c1 ZINC000787289877 1275735562 /nfs/dbraw/zinc/73/55/62/1275735562.db2.gz ZSIHBDACDHOOLC-UHFFFAOYSA-N 1 0 346.387 2.733 20 10 EFCDRO CC(C)OCC[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000788274460 1276124593 /nfs/dbraw/zinc/12/45/93/1276124593.db2.gz HODWHAUVXCLENQ-QZTJIDSGSA-N 1 0 337.460 2.549 20 10 EFCDRO C[N@@H+]1CCCC[C@@H]1c1ccc(NCC(=O)c2ccc(O)c(O)c2)nc1 ZINC001170316698 1279009164 /nfs/dbraw/zinc/00/91/64/1279009164.db2.gz YXXXLBYMSOLGBG-OAHLLOKOSA-N 1 0 341.411 2.944 20 10 EFCDRO CC[NH+](CC)Cc1cncc(NCC(=O)c2ccc(O)c(O)c2)c1 ZINC001170322958 1279015160 /nfs/dbraw/zinc/01/51/60/1279015160.db2.gz PSPSRIGHIRPJTL-UHFFFAOYSA-N 1 0 329.400 2.629 20 10 EFCDRO C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000817888168 1276347260 /nfs/dbraw/zinc/34/72/60/1276347260.db2.gz JDYCIMBZOOKJDQ-ZXFNITATSA-N 1 0 335.467 2.669 20 10 EFCDRO [NH3+][C@@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000817888603 1276347568 /nfs/dbraw/zinc/34/75/68/1276347568.db2.gz MZJCULLJRUEHOJ-CVEARBPZSA-N 1 0 343.393 2.511 20 10 EFCDRO C[C@@H]1CN(c2ccc(CN[C@@H]3C[NH2+]CC[C@H]3C)cc2F)C[C@@H](C)O1 ZINC000817889309 1276348326 /nfs/dbraw/zinc/34/83/26/1276348326.db2.gz SJNGFCJXXGKCRD-ATNYBXOESA-N 1 0 335.467 2.527 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N(C)[C@H](C[NH3+])C3CC3)c2C)cc1 ZINC000818003770 1276410586 /nfs/dbraw/zinc/41/05/86/1276410586.db2.gz DVUVNMCSQNXROA-LJQANCHMSA-N 1 0 341.455 2.912 20 10 EFCDRO C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817939063 1276386350 /nfs/dbraw/zinc/38/63/50/1276386350.db2.gz YKXJEMQDBNWJSB-DNVCBOLYSA-N 1 0 340.471 2.759 20 10 EFCDRO CC[NH2+]CCCN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817943646 1276389665 /nfs/dbraw/zinc/38/96/65/1276389665.db2.gz QIYJYFRPWKNHSA-CQSZACIVSA-N 1 0 325.884 2.827 20 10 EFCDRO COC(=O)c1csc([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817943266 1276390042 /nfs/dbraw/zinc/39/00/42/1276390042.db2.gz SZFIGBJEZXBQAR-BLLLJJGKSA-N 1 0 347.484 2.951 20 10 EFCDRO CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc(F)cc1O ZINC000817951308 1276395954 /nfs/dbraw/zinc/39/59/54/1276395954.db2.gz CYRBSYXXMPOFJW-MRXNPFEDSA-N 1 0 330.407 2.899 20 10 EFCDRO COc1cc([C@H](C)[NH2+]CCc2ccc(N)cc2)ccc1S(C)(=O)=O ZINC000817955836 1276396911 /nfs/dbraw/zinc/39/69/11/1276396911.db2.gz IXQUCIXALAMZLD-ZDUSSCGKSA-N 1 0 348.468 2.574 20 10 EFCDRO COc1ccc([C@@H](NCCc2ccc(N)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000817956918 1276397120 /nfs/dbraw/zinc/39/71/20/1276397120.db2.gz FYBKHILBZIVNHQ-VQTJNVASSA-N 1 0 325.456 2.903 20 10 EFCDRO COc1ccc([C@H](NCCc2ccc(N)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000817956916 1276397581 /nfs/dbraw/zinc/39/75/81/1276397581.db2.gz FYBKHILBZIVNHQ-PMACEKPBSA-N 1 0 325.456 2.903 20 10 EFCDRO C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(Br)cc(F)c1[O-] ZINC000817954798 1276397786 /nfs/dbraw/zinc/39/77/86/1276397786.db2.gz KDZHAGCAXHOVSJ-NXEZZACHSA-N 1 0 331.229 2.944 20 10 EFCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000817956288 1276398002 /nfs/dbraw/zinc/39/80/02/1276398002.db2.gz VTKAMZCIPTZVKQ-UTKZUKDTSA-N 1 0 339.483 2.690 20 10 EFCDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCc2ccc(N)cc2)cc1 ZINC000817957493 1276398469 /nfs/dbraw/zinc/39/84/69/1276398469.db2.gz MJNVRTHYGCMKPM-OAHLLOKOSA-N 1 0 332.469 2.572 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000817996544 1276406993 /nfs/dbraw/zinc/40/69/93/1276406993.db2.gz HTEBPSBQJHEBDY-JLTOFOAXSA-N 1 0 340.423 2.509 20 10 EFCDRO COC[C@@]1(CN[C@@H](C)c2cc(Br)ccc2O)CCC[NH2+]1 ZINC000817975534 1276416166 /nfs/dbraw/zinc/41/61/66/1276416166.db2.gz WGATVGFYXVDAIO-NHYWBVRUSA-N 1 0 343.265 2.574 20 10 EFCDRO C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Br)cc(Cl)c1[O-] ZINC000817977657 1276416946 /nfs/dbraw/zinc/41/69/46/1276416946.db2.gz NKGJXCMTPDDUDF-IGYIBNOWSA-N 1 0 331.641 2.677 20 10 EFCDRO C[C@@H](NC[C@H]1C[NH2+]CCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817981373 1276421784 /nfs/dbraw/zinc/42/17/84/1276421784.db2.gz RSWYAOYUTKABON-NVXWUHKLSA-N 1 0 335.467 2.845 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2c[nH]cc2C2CC2)cc1C ZINC001136080882 1276422387 /nfs/dbraw/zinc/42/23/87/1276422387.db2.gz LSDIDGLUFWFWIF-UHFFFAOYSA-N 1 0 327.428 2.729 20 10 EFCDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000788984281 1276427528 /nfs/dbraw/zinc/42/75/28/1276427528.db2.gz JUUAACOQVLHBJI-LZWOXQAQSA-N 1 0 338.879 2.988 20 10 EFCDRO C[NH2+]CCCN(C)C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000818014518 1276453181 /nfs/dbraw/zinc/45/31/81/1276453181.db2.gz HOHHDHBTVIXBFO-UHFFFAOYSA-N 1 0 329.444 2.784 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cn(C(C)(C)C)nn3)C2)cc1 ZINC000818222799 1276492865 /nfs/dbraw/zinc/49/28/65/1276492865.db2.gz WCDGBHOPHDFEAT-HNNXBMFYSA-N 1 0 343.475 2.658 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnc([C@H](C)O)s3)C2)cc1 ZINC000818219680 1276493119 /nfs/dbraw/zinc/49/31/19/1276493119.db2.gz CRLKHXDOKKZKNZ-KBPBESRZSA-N 1 0 347.484 2.821 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3c(C)nn(C)c3C)C2)cc1 ZINC000818220528 1276493559 /nfs/dbraw/zinc/49/35/59/1276493559.db2.gz LIASISFHSOVLKY-MRXNPFEDSA-N 1 0 328.460 2.662 20 10 EFCDRO O=C(CCCc1ccccc1)NCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818225100 1276494551 /nfs/dbraw/zinc/49/45/51/1276494551.db2.gz NNBUCFGMQRMJGD-UHFFFAOYSA-N 1 0 338.451 2.850 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)Cc3cnccn3)C2)cc1 ZINC000818342328 1276509793 /nfs/dbraw/zinc/50/97/93/1276509793.db2.gz PBNRFYHRCBXHNG-HZPDHXFCSA-N 1 0 326.444 2.532 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)CCn3cccn3)C2)cc1 ZINC000818342123 1276510267 /nfs/dbraw/zinc/51/02/67/1276510267.db2.gz LXJBOGZMOIKXCM-IAGOWNOFSA-N 1 0 328.460 2.786 20 10 EFCDRO COC(=O)C1CCC([NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000818341635 1276510436 /nfs/dbraw/zinc/51/04/36/1276510436.db2.gz CGKFMAXROKAJGX-GTPINHCMSA-N 1 0 346.471 2.843 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cc(C)n(C)n3)C2)cc1 ZINC000818342934 1276510786 /nfs/dbraw/zinc/51/07/86/1276510786.db2.gz WUOYFOXXFAZADX-HOTGVXAUSA-N 1 0 328.460 2.914 20 10 EFCDRO CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)c1nccn1C ZINC000818342615 1276511686 /nfs/dbraw/zinc/51/16/86/1276511686.db2.gz STPUJIWWUUYYFG-MAUKXSAKSA-N 1 0 328.460 2.996 20 10 EFCDRO CC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)c1cnn(C)c1 ZINC000818345734 1276512999 /nfs/dbraw/zinc/51/29/99/1276512999.db2.gz XLLDSHPDBWZOMW-DNVCBOLYSA-N 1 0 328.460 2.996 20 10 EFCDRO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(N(C)C)cc2)c(C)c1 ZINC000818941381 1276553756 /nfs/dbraw/zinc/55/37/56/1276553756.db2.gz IRINRLZTWVRGLJ-IBGZPJMESA-N 1 0 328.456 2.899 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000818941658 1276554138 /nfs/dbraw/zinc/55/41/38/1276554138.db2.gz NCGMTZBPVVNLGY-UHFFFAOYSA-N 1 0 342.399 2.779 20 10 EFCDRO Cc1cc(NC(=O)CC[NH2+]Cc2ccc(N3CCCC3)cc2)no1 ZINC000818954434 1276557204 /nfs/dbraw/zinc/55/72/04/1276557204.db2.gz SXIRTKCJKTWXKF-UHFFFAOYSA-N 1 0 328.416 2.702 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)COCc1ccccc1 ZINC000818955012 1276557712 /nfs/dbraw/zinc/55/77/12/1276557712.db2.gz ZKKFROUOACHEOV-NRFANRHFSA-N 1 0 340.467 2.954 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)COCc1ccccc1 ZINC000818955013 1276558460 /nfs/dbraw/zinc/55/84/60/1276558460.db2.gz ZKKFROUOACHEOV-OAQYLSRUSA-N 1 0 340.467 2.954 20 10 EFCDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000818997140 1276566773 /nfs/dbraw/zinc/56/67/73/1276566773.db2.gz SKTPSRPJTZAEMK-SFHVURJKSA-N 1 0 327.424 2.768 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)COCc1ccc(Cl)cc1 ZINC000818997095 1276566983 /nfs/dbraw/zinc/56/69/83/1276566983.db2.gz RNMOIRBTDHYXDI-SFHVURJKSA-N 1 0 347.842 2.942 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)CC(F)(F)F)CC2)cc1 ZINC000819003110 1276568601 /nfs/dbraw/zinc/56/86/01/1276568601.db2.gz SFJWSTLESYZWKF-AWEZNQCLSA-N 1 0 332.366 2.567 20 10 EFCDRO Cc1cccc(OC[C@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)c1 ZINC000819095013 1276604062 /nfs/dbraw/zinc/60/40/62/1276604062.db2.gz RDYSPZWLHKYNRK-HXUWFJFHSA-N 1 0 338.451 2.901 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)COc1ccc(F)cc1 ZINC000819094989 1276604638 /nfs/dbraw/zinc/60/46/38/1276604638.db2.gz QKHMOAYNPPUYSV-LJQANCHMSA-N 1 0 342.414 2.731 20 10 EFCDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)c1 ZINC000819094445 1276604833 /nfs/dbraw/zinc/60/48/33/1276604833.db2.gz HCUDMWZWJKRVQI-LJQANCHMSA-N 1 0 339.395 2.794 20 10 EFCDRO Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819096159 1276605929 /nfs/dbraw/zinc/60/59/29/1276605929.db2.gz XXGICMFYRWXRII-HXUWFJFHSA-N 1 0 338.451 2.901 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)c3ccccc3)C2)cc1 ZINC000819379370 1276763322 /nfs/dbraw/zinc/76/33/22/1276763322.db2.gz GLYAQVZSBVVZPJ-JXFKEZNVSA-N 1 0 326.440 2.845 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)c3cccc(F)c3)C2)cc1 ZINC000819381214 1276764386 /nfs/dbraw/zinc/76/43/86/1276764386.db2.gz VWZAEUSIWDURFV-MGPUTAFESA-N 1 0 344.430 2.984 20 10 EFCDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583472 1276824641 /nfs/dbraw/zinc/82/46/41/1276824641.db2.gz WVVBDOSHLIXDCE-QFBILLFUSA-N 1 0 345.487 2.512 20 10 EFCDRO C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000789557961 1276843596 /nfs/dbraw/zinc/84/35/96/1276843596.db2.gz PXOLKIXIFDQIAF-SFHVURJKSA-N 1 0 333.432 2.932 20 10 EFCDRO Cc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)nc1 ZINC000789593906 1276870763 /nfs/dbraw/zinc/87/07/63/1276870763.db2.gz CCHUZOMICGBEFA-UHFFFAOYSA-N 1 0 329.419 2.998 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@@H]1C1CCOCC1)[C@@H](O)CO2 ZINC000819902062 1276940928 /nfs/dbraw/zinc/94/09/28/1276940928.db2.gz MQLRRISYBNGKQA-HKUYNNGSSA-N 1 0 345.439 2.599 20 10 EFCDRO CC1CCC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)(C(=O)[O-])CC1 ZINC000789897565 1277083351 /nfs/dbraw/zinc/08/33/51/1277083351.db2.gz LCNAZDZWMCQQLL-UHFFFAOYSA-N 1 0 345.487 2.562 20 10 EFCDRO C[C@@H]1CCC[C@@]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)(C(=O)[O-])C1 ZINC000789902446 1277088958 /nfs/dbraw/zinc/08/89/58/1277088958.db2.gz NZRXVVGGQXKHDS-UZLBHIALSA-N 1 0 345.487 2.562 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000103528729 1279030140 /nfs/dbraw/zinc/03/01/40/1279030140.db2.gz IVSZTAMIFJBLCT-CYBMUJFWSA-N 1 0 328.412 2.953 20 10 EFCDRO CCOC(=O)c1cc(CN(CC)Cc2ccc(N(C)C)cc2)on1 ZINC000820852003 1277347878 /nfs/dbraw/zinc/34/78/78/1277347878.db2.gz XTRXNTYMLLJEMW-UHFFFAOYSA-N 1 0 331.416 2.939 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CSCCS3)cc2)CC1 ZINC000585118663 1277354066 /nfs/dbraw/zinc/35/40/66/1277354066.db2.gz XVTOBOAFXXAHQK-KRWDZBQOSA-N 1 0 338.542 2.586 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)C[N@H+](C)CCc2ccccc2)c1 ZINC000821064530 1277425445 /nfs/dbraw/zinc/42/54/45/1277425445.db2.gz CPDUWIZNZNUTRQ-HNNXBMFYSA-N 1 0 342.439 2.753 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000790375375 1277512251 /nfs/dbraw/zinc/51/22/51/1277512251.db2.gz MJCHLCFXRJBSLO-UHFFFAOYSA-N 1 0 346.519 2.982 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](N4CCCC4=O)C3)c2c1 ZINC000790455464 1277572303 /nfs/dbraw/zinc/57/23/03/1277572303.db2.gz DBTVIQZNKHDCKP-HNNXBMFYSA-N 1 0 340.423 2.751 20 10 EFCDRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1cccc(O)c1O ZINC000790668051 1277708185 /nfs/dbraw/zinc/70/81/85/1277708185.db2.gz JJUMVNOWIQKCOB-OAHLLOKOSA-N 1 0 332.444 2.872 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000790702823 1277734405 /nfs/dbraw/zinc/73/44/05/1277734405.db2.gz OKYJYVQFZVYKPS-CQSZACIVSA-N 1 0 349.475 2.883 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000790748794 1277757716 /nfs/dbraw/zinc/75/77/16/1277757716.db2.gz QGEIMWLVXTXATC-CQSZACIVSA-N 1 0 334.460 2.951 20 10 EFCDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000790934279 1277853406 /nfs/dbraw/zinc/85/34/06/1277853406.db2.gz JRDRAWFREORANH-NVXWUHKLSA-N 1 0 336.451 2.788 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CC[NH+](C3CCCC3)CC2)cc1F ZINC000746977990 1277964780 /nfs/dbraw/zinc/96/47/80/1277964780.db2.gz CFPIAQIHVBVEBC-UHFFFAOYSA-N 1 0 348.466 2.662 20 10 EFCDRO CC(C)C[NH+]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000746985063 1277976049 /nfs/dbraw/zinc/97/60/49/1277976049.db2.gz LHZWHVHODBJOSO-UHFFFAOYSA-N 1 0 344.503 2.552 20 10 EFCDRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CCc1cc(O)c(O)cc1O ZINC001170407940 1279091828 /nfs/dbraw/zinc/09/18/28/1279091828.db2.gz PNESYDYBODFTFV-CQSZACIVSA-N 1 0 345.395 2.686 20 10 EFCDRO CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001134873424 1287329037 /nfs/dbraw/zinc/32/90/37/1287329037.db2.gz XEUSDDJYKOTSKF-ZIAGYGMSSA-N 1 0 337.464 2.776 20 10 EFCDRO COC(=O)C(C)(C)CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000792768200 1279164619 /nfs/dbraw/zinc/16/46/19/1279164619.db2.gz XYZLDYYYDZGWEE-INIZCTEOSA-N 1 0 335.444 2.963 20 10 EFCDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000815108473 1287329641 /nfs/dbraw/zinc/32/96/41/1287329641.db2.gz XHQUBDSZXJKDPZ-FQEVSTJZSA-N 1 0 348.487 2.934 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c1O ZINC000815158785 1287334505 /nfs/dbraw/zinc/33/45/05/1287334505.db2.gz AFYMNHSKWOVBJZ-BONVTDFDSA-N 1 0 344.249 2.804 20 10 EFCDRO COc1ccc(CNC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(O)c1 ZINC000792914427 1279272423 /nfs/dbraw/zinc/27/24/23/1279272423.db2.gz RXEAEMYBHHJWLT-QLFBSQMISA-N 1 0 349.475 2.566 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3[nH]ccc3C)C2)cc1C ZINC001091009243 1279289757 /nfs/dbraw/zinc/28/97/57/1279289757.db2.gz BZTSHONXZCCCEH-UHFFFAOYSA-N 1 0 341.455 2.938 20 10 EFCDRO C[C@H](CNC(=O)NCc1cc(Cl)ccc1O)C[NH+]1CCCC1 ZINC000844898461 1279322856 /nfs/dbraw/zinc/32/28/56/1279322856.db2.gz VSTZOTRVXMLIDO-GFCCVEGCSA-N 1 0 325.840 2.577 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H]1CN(C)CCO1 ZINC000793015077 1279327730 /nfs/dbraw/zinc/32/77/30/1279327730.db2.gz CYCCHTGCZFITCS-BLLLJJGKSA-N 1 0 345.409 2.580 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000844923422 1279342271 /nfs/dbraw/zinc/34/22/71/1279342271.db2.gz IBODNQUUJGZQJE-LLVKDONJSA-N 1 0 332.375 2.627 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CCc2ccn(C)n2)c(C(F)(F)F)c1 ZINC000793078124 1279359863 /nfs/dbraw/zinc/35/98/63/1279359863.db2.gz ISEYJKXOVBMENY-UHFFFAOYSA-N 1 0 326.366 2.837 20 10 EFCDRO CC1(C)CCC[C@]1(O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000815146185 1287349108 /nfs/dbraw/zinc/34/91/08/1287349108.db2.gz CGHJDVJGYLHVOU-IBGZPJMESA-N 1 0 336.451 2.693 20 10 EFCDRO C[NH+](C)C1CCC(NC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000845264982 1279517951 /nfs/dbraw/zinc/51/79/51/1279517951.db2.gz DIJYVXJHUVBLML-UHFFFAOYSA-N 1 0 325.840 2.718 20 10 EFCDRO C[N@H+](Cc1cc(I)c[nH]1)Cc1ccccc1O ZINC001144401375 1279540870 /nfs/dbraw/zinc/54/08/70/1279540870.db2.gz DQXIAIGDHDMYRP-UHFFFAOYSA-N 1 0 342.180 2.957 20 10 EFCDRO Cc1cc(Br)cc(C[NH2+]CCN2CC=CCC2)c1O ZINC000793319575 1279541355 /nfs/dbraw/zinc/54/13/55/1279541355.db2.gz PMVSHEYKXCOUIT-UHFFFAOYSA-N 1 0 325.250 2.815 20 10 EFCDRO Oc1ccc(Br)cc1CNc1ccc2c([nH+]1)NCCO2 ZINC001171176652 1279572377 /nfs/dbraw/zinc/57/23/77/1279572377.db2.gz UINVOTXALJOFFQ-UHFFFAOYSA-N 1 0 336.189 2.966 20 10 EFCDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(OC)cc1O ZINC000793386688 1279613679 /nfs/dbraw/zinc/61/36/79/1279613679.db2.gz XMEXYYAJPBAWIE-UHFFFAOYSA-N 1 0 332.356 2.998 20 10 EFCDRO CCOCc1cc(C[NH2+]C(C)(C)C(=O)N2CCCC2)ccc1OC ZINC000793395510 1279626928 /nfs/dbraw/zinc/62/69/28/1279626928.db2.gz QHSOCQGAAKCQDG-UHFFFAOYSA-N 1 0 334.460 2.722 20 10 EFCDRO CC[C@H]1C[C@H](C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)CCO1 ZINC001170432371 1279669004 /nfs/dbraw/zinc/66/90/04/1279669004.db2.gz SHELWVGHJLBTEJ-MSOLQXFVSA-N 1 0 348.487 2.805 20 10 EFCDRO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1c(O)cc(O)cc1O ZINC001144499843 1279741964 /nfs/dbraw/zinc/74/19/64/1279741964.db2.gz LRDFGKQEBAFFJE-UHFFFAOYSA-N 1 0 345.395 2.759 20 10 EFCDRO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000793599662 1279765267 /nfs/dbraw/zinc/76/52/67/1279765267.db2.gz HXIWYTSKWIQYJK-LLVKDONJSA-N 1 0 338.404 2.514 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC(OCc3ccccc3)CC2)c(O)c1 ZINC001144509086 1279768974 /nfs/dbraw/zinc/76/89/74/1279768974.db2.gz KOYGKTLYSJHDGG-UHFFFAOYSA-N 1 0 329.396 2.985 20 10 EFCDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000793610107 1279772107 /nfs/dbraw/zinc/77/21/07/1279772107.db2.gz OIRZAXJGIIXSOQ-RHSMWYFYSA-N 1 0 343.423 2.911 20 10 EFCDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000793610108 1279772703 /nfs/dbraw/zinc/77/27/03/1279772703.db2.gz OIRZAXJGIIXSOQ-WMLDXEAASA-N 1 0 343.423 2.911 20 10 EFCDRO COc1ccccc1[C@@H](O)C[N@H+](Cc1c(O)cc(O)cc1O)C(C)C ZINC001144514671 1279775026 /nfs/dbraw/zinc/77/50/26/1279775026.db2.gz ODBMVIOTDJWXTB-SFHVURJKSA-N 1 0 347.411 2.756 20 10 EFCDRO CC(C)(C)OC(=O)CC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144515165 1279776331 /nfs/dbraw/zinc/77/63/31/1279776331.db2.gz GIBYHSGVLOCMSJ-UHFFFAOYSA-N 1 0 337.416 2.747 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2CCc3nn(-c4ccccc4)cc3C2)c(O)c1 ZINC001144515622 1279778095 /nfs/dbraw/zinc/77/80/95/1279778095.db2.gz SXHMPIWQIKGREO-UHFFFAOYSA-N 1 0 337.379 2.547 20 10 EFCDRO COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)Cc1c(O)cc(O)cc1O ZINC001144515613 1279778183 /nfs/dbraw/zinc/77/81/83/1279778183.db2.gz SQHUVDUMIOKVMC-CYBMUJFWSA-N 1 0 345.395 2.757 20 10 EFCDRO C[N@H+](Cc1c(O)cc(O)cc1O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001144516195 1279778226 /nfs/dbraw/zinc/77/82/26/1279778226.db2.gz SRCFAFKYXDVDGR-MRXNPFEDSA-N 1 0 342.439 2.900 20 10 EFCDRO Cc1cccc(O[C@@H]2CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)n1 ZINC001144515814 1279778254 /nfs/dbraw/zinc/77/82/54/1279778254.db2.gz GDKWTPOFBQGQPB-CQSZACIVSA-N 1 0 330.384 2.550 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1C(C)C ZINC000793695646 1279830105 /nfs/dbraw/zinc/83/01/05/1279830105.db2.gz JAOJCZLQZYRFHT-AWEZNQCLSA-N 1 0 325.474 2.691 20 10 EFCDRO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000793734698 1279850454 /nfs/dbraw/zinc/85/04/54/1279850454.db2.gz YCSZRCVYSJYKNO-CYBMUJFWSA-N 1 0 344.386 2.971 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)oc(=O)n3C)c1 ZINC000845972482 1279950103 /nfs/dbraw/zinc/95/01/03/1279950103.db2.gz QWGIHDIOTIMLSF-NSHDSACASA-N 1 0 328.368 2.697 20 10 EFCDRO O=C1CCCN1CC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000846076543 1280006313 /nfs/dbraw/zinc/00/63/13/1280006313.db2.gz UUJVWBHEYUDJPZ-UHFFFAOYSA-N 1 0 349.478 2.961 20 10 EFCDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846162085 1280043443 /nfs/dbraw/zinc/04/34/43/1280043443.db2.gz AIAWAHGJJKNHHM-OLZOCXBDSA-N 1 0 336.432 2.918 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)c1O ZINC000846169118 1280045443 /nfs/dbraw/zinc/04/54/43/1280045443.db2.gz OUFBEFLDUFHYJF-XEZPLFJOSA-N 1 0 331.416 2.705 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)c1O ZINC000846169117 1280045598 /nfs/dbraw/zinc/04/55/98/1280045598.db2.gz OUFBEFLDUFHYJF-WOSRLPQWSA-N 1 0 331.416 2.705 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)c1O ZINC000846167637 1280045703 /nfs/dbraw/zinc/04/57/03/1280045703.db2.gz AAHVSEDMIUFBBU-DCGLDWPTSA-N 1 0 331.416 2.705 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)NCCc2ccccc2)c1O ZINC000846169788 1280046487 /nfs/dbraw/zinc/04/64/87/1280046487.db2.gz UDBZNOSNRSVLEK-HUUCEWRRSA-N 1 0 342.439 2.799 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)c1O ZINC000846170396 1280046797 /nfs/dbraw/zinc/04/67/97/1280046797.db2.gz KKAHSUJGFFIILW-JSQNDZKTSA-N 1 0 332.444 2.698 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)c1O ZINC000846172623 1280047195 /nfs/dbraw/zinc/04/71/95/1280047195.db2.gz ZOARRDNIDVBJEQ-STQMWFEESA-N 1 0 344.386 2.996 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1O ZINC000846172507 1280047327 /nfs/dbraw/zinc/04/73/27/1280047327.db2.gz YZZQXENPPMXECU-IYXRBSQSSA-N 1 0 341.473 2.655 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000846136120 1280050139 /nfs/dbraw/zinc/05/01/39/1280050139.db2.gz IOYNUENTBLRDOK-QLFBSQMISA-N 1 0 336.476 2.939 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc(C)c2)c1O ZINC000846143139 1280051966 /nfs/dbraw/zinc/05/19/66/1280051966.db2.gz HZPUTTIQBQURSA-HUUCEWRRSA-N 1 0 331.412 2.800 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)N2CCC(OC)CC2)c1O ZINC000846146582 1280052792 /nfs/dbraw/zinc/05/27/92/1280052792.db2.gz RDYASNDVQMFMAW-AWEZNQCLSA-N 1 0 336.476 2.941 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)c1O ZINC000846146656 1280053253 /nfs/dbraw/zinc/05/32/53/1280053253.db2.gz SUAQHFYWRARMEW-KGLIPLIRSA-N 1 0 326.396 2.857 20 10 EFCDRO CCN1C[C@H](C[NH2+][C@@H](C)c2ccc(Br)cc2O)CC1=O ZINC000846210527 1280054229 /nfs/dbraw/zinc/05/42/29/1280054229.db2.gz YYMISGOLJIACLT-QWRGUYRKSA-N 1 0 341.249 2.674 20 10 EFCDRO CCN1C[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cc2O)CC1=O ZINC000846210529 1280054733 /nfs/dbraw/zinc/05/47/33/1280054733.db2.gz YYMISGOLJIACLT-WDEREUQCSA-N 1 0 341.249 2.674 20 10 EFCDRO CCN1C[C@H](C[NH2+][C@@H](C)c2cc(Br)ccc2O)CC1=O ZINC000846208361 1280055743 /nfs/dbraw/zinc/05/57/43/1280055743.db2.gz IYKOHQPEEYOTEF-QWRGUYRKSA-N 1 0 341.249 2.674 20 10 EFCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CCO1 ZINC000872028686 1287405728 /nfs/dbraw/zinc/40/57/28/1287405728.db2.gz RYRQCOJIQHJXRR-HNNXBMFYSA-N 1 0 336.451 2.834 20 10 EFCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CCO1 ZINC000872028713 1287406086 /nfs/dbraw/zinc/40/60/86/1287406086.db2.gz SHJFRAXEJMRNAQ-SFHVURJKSA-N 1 0 332.488 2.943 20 10 EFCDRO CCCc1cc(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)ccn1 ZINC001129941676 1280374198 /nfs/dbraw/zinc/37/41/98/1280374198.db2.gz MXNAHCYSAMLSAL-UHFFFAOYSA-N 1 0 341.455 2.871 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc3c2ccn3C)cc1 ZINC000846664398 1280379531 /nfs/dbraw/zinc/37/95/31/1280379531.db2.gz ZSSSEBXSUWOCQL-SFHVURJKSA-N 1 0 336.439 2.674 20 10 EFCDRO CCC(CC)n1nccc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000846663217 1280407665 /nfs/dbraw/zinc/40/76/65/1280407665.db2.gz FLBXBUKUMGFDEV-QGZVFWFLSA-N 1 0 343.475 2.740 20 10 EFCDRO COc1ccc(N(C)CCN(C)C(=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000846697297 1280427024 /nfs/dbraw/zinc/42/70/24/1280427024.db2.gz MZYVJEBQBIZYRY-LJQANCHMSA-N 1 0 341.455 2.680 20 10 EFCDRO CC(C)C[NH2+]C1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001091382377 1280468855 /nfs/dbraw/zinc/46/88/55/1280468855.db2.gz SBYIICGBFFONPP-UHFFFAOYSA-N 1 0 331.420 2.603 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)COc2ccsc2)cc1C ZINC001171251424 1280475981 /nfs/dbraw/zinc/47/59/81/1280475981.db2.gz FQDAKXOCNFQMEK-UHFFFAOYSA-N 1 0 348.468 2.740 20 10 EFCDRO Cc1cc(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)ccc1N(C)C ZINC000846928664 1280623682 /nfs/dbraw/zinc/62/36/82/1280623682.db2.gz HFLGYOXLGBYCEL-GOSISDBHSA-N 1 0 329.488 2.798 20 10 EFCDRO COCC1(C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001134992897 1287444812 /nfs/dbraw/zinc/44/48/12/1287444812.db2.gz CGZJSUDBZHZYKT-HZPDHXFCSA-N 1 0 348.487 2.803 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc2ccc[nH]2)cc1C ZINC001146478898 1280930796 /nfs/dbraw/zinc/93/07/96/1280930796.db2.gz YCIHRLDUJSIBON-HOTGVXAUSA-N 1 0 343.471 2.947 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCO3)C2)cc1C ZINC001086638926 1280934440 /nfs/dbraw/zinc/93/44/40/1280934440.db2.gz SAWVVBNPLAELIA-SCTDSRPQSA-N 1 0 346.471 2.557 20 10 EFCDRO C[C@H](C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CC1 ZINC001146661664 1280965390 /nfs/dbraw/zinc/96/53/90/1280965390.db2.gz BXAWRWPQSGKXQS-NEPJUHHUSA-N 1 0 331.420 2.746 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000806135427 1280977612 /nfs/dbraw/zinc/97/76/12/1280977612.db2.gz SUFKYYZIYQSSSB-VQTJNVASSA-N 1 0 329.488 2.595 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000806135428 1280978459 /nfs/dbraw/zinc/97/84/59/1280978459.db2.gz SUFKYYZIYQSSSB-WOJBJXKFSA-N 1 0 329.488 2.595 20 10 EFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CC[C@@H]3C3CC3)cc2)C1 ZINC000806130817 1280985190 /nfs/dbraw/zinc/98/51/90/1280985190.db2.gz DLOZGERSCUSIJG-QRQLOZEOSA-N 1 0 327.472 2.667 20 10 EFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CC[C@H]3C3CC3)cc2)C1 ZINC000806130815 1280985696 /nfs/dbraw/zinc/98/56/96/1280985696.db2.gz DLOZGERSCUSIJG-NEWSRXKRSA-N 1 0 327.472 2.667 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2[nH]cnc2C)cc1C ZINC001146830317 1281055539 /nfs/dbraw/zinc/05/55/39/1281055539.db2.gz LMUOZVNFFOBXKN-KGLIPLIRSA-N 1 0 344.459 2.722 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc3c([nH]2)CCCC3)cc1C ZINC001146912661 1281067374 /nfs/dbraw/zinc/06/73/74/1281067374.db2.gz UGNKQRNLXPHDOT-UHFFFAOYSA-N 1 0 341.455 2.730 20 10 EFCDRO CC[C@H](C)[NH2+][C@H](CNC(=O)NCc1ccccc1O)c1ccco1 ZINC000806645041 1281121736 /nfs/dbraw/zinc/12/17/36/1281121736.db2.gz RGVNURNGRCOZOE-DZGCQCFKSA-N 1 0 331.416 2.914 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2scnc2C2CC2)cc1C ZINC001134995523 1287480662 /nfs/dbraw/zinc/48/06/62/1287480662.db2.gz BPDLKRASAXMTEI-UHFFFAOYSA-N 1 0 345.468 2.857 20 10 EFCDRO CCc1cc(C)c(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001147970172 1281366711 /nfs/dbraw/zinc/36/67/11/1281366711.db2.gz BCUGTHQGBNYSHZ-UHFFFAOYSA-N 1 0 330.428 2.987 20 10 EFCDRO C[N@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000798958202 1281445936 /nfs/dbraw/zinc/44/59/36/1281445936.db2.gz PPZHQBFGXQDGKV-UHFFFAOYSA-N 1 0 327.812 2.872 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H](C)n2cccc2)cc1C ZINC001148397283 1281527463 /nfs/dbraw/zinc/52/74/63/1281527463.db2.gz ZHZOPXFMBXPKDP-MRXNPFEDSA-N 1 0 329.444 2.662 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C(C)(C)C(F)(F)F)cc1C ZINC001148543072 1281617223 /nfs/dbraw/zinc/61/72/23/1281617223.db2.gz UVFMWWIENGFPMY-UHFFFAOYSA-N 1 0 332.366 2.798 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cc(C)n(C)c2C)cc1C ZINC001175666605 1287514623 /nfs/dbraw/zinc/51/46/23/1287514623.db2.gz CSLUPHZUUYGADA-UHFFFAOYSA-N 1 0 343.471 2.869 20 10 EFCDRO Cn1cnc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)c1 ZINC000808386103 1281696123 /nfs/dbraw/zinc/69/61/23/1281696123.db2.gz WKXHGCOBTFBOTH-UHFFFAOYSA-N 1 0 336.386 2.780 20 10 EFCDRO COc1ccsc1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001148629024 1281697766 /nfs/dbraw/zinc/69/77/66/1281697766.db2.gz KXKRJIMBXMPWJJ-UHFFFAOYSA-N 1 0 334.441 2.593 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)CCc2ccccc2)cc1C ZINC001148833522 1281759790 /nfs/dbraw/zinc/75/97/90/1281759790.db2.gz ICMURLIZTYSTAC-UHFFFAOYSA-N 1 0 326.440 2.842 20 10 EFCDRO COc1ccc(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC001148809323 1281769867 /nfs/dbraw/zinc/76/98/67/1281769867.db2.gz YKOLOZAWDQPPGX-UHFFFAOYSA-N 1 0 328.412 2.532 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cccc(N(C)C)c2)cc1C ZINC001148955257 1281820830 /nfs/dbraw/zinc/82/08/30/1281820830.db2.gz SOIGEHOZHVVFOI-UHFFFAOYSA-N 1 0 341.455 2.589 20 10 EFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CCCCC[C@@H]3[NH3+])C2)cc1 ZINC000872301045 1287529273 /nfs/dbraw/zinc/52/92/73/1287529273.db2.gz NXTXWFNPPUWXQM-IPELMVKDSA-N 1 0 345.487 2.545 20 10 EFCDRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808706722 1281866995 /nfs/dbraw/zinc/86/69/95/1281866995.db2.gz RWDRXZITOZLNEI-WCQYABFASA-N 1 0 325.840 2.808 20 10 EFCDRO CC[C@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1O)C(=O)N1CCOCC1 ZINC000808700379 1281879151 /nfs/dbraw/zinc/87/91/51/1281879151.db2.gz FONGEBUAUPVAPS-DOMZBBRYSA-N 1 0 340.851 2.642 20 10 EFCDRO CCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](OCC)C1 ZINC001087018446 1282057226 /nfs/dbraw/zinc/05/72/26/1282057226.db2.gz BXLRFYXESWPJGQ-IEBWSBKVSA-N 1 0 348.487 2.757 20 10 EFCDRO CC[N@H+](CC(=O)NC)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809545568 1282300494 /nfs/dbraw/zinc/30/04/94/1282300494.db2.gz NKNPPHRREHHNAA-UHFFFAOYSA-N 1 0 337.467 2.817 20 10 EFCDRO C[C@@H](O)c1ncc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000809611270 1282316266 /nfs/dbraw/zinc/31/62/66/1282316266.db2.gz XUZMNKZDXCZMID-UONOGXRCSA-N 1 0 347.484 2.884 20 10 EFCDRO C[C@H](O)c1ncc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000809611268 1282317240 /nfs/dbraw/zinc/31/72/40/1282317240.db2.gz XUZMNKZDXCZMID-KBPBESRZSA-N 1 0 347.484 2.884 20 10 EFCDRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809658833 1282340723 /nfs/dbraw/zinc/34/07/23/1282340723.db2.gz XHDOVSACVATCNO-QFIPXVFZSA-N 1 0 349.478 2.947 20 10 EFCDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(OCC)ccc1O ZINC000809691185 1282375744 /nfs/dbraw/zinc/37/57/44/1282375744.db2.gz JFCCJIPCJXCJKY-OAHLLOKOSA-N 1 0 336.432 2.892 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN3CCCC[C@@H]3c3cc[nH]n3)cc2)CC1 ZINC000809692776 1282379217 /nfs/dbraw/zinc/37/92/17/1282379217.db2.gz GOXRJKAAXGFPPU-HXUWFJFHSA-N 1 0 339.487 2.889 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@@](C(=O)OC)(C(F)(F)F)C2)c(O)c1 ZINC000809695833 1282381078 /nfs/dbraw/zinc/38/10/78/1282381078.db2.gz ABQVVSXFDMXOLU-OAHLLOKOSA-N 1 0 347.333 2.718 20 10 EFCDRO CC(C)C[N@H+](CCN(C)C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809729628 1282409504 /nfs/dbraw/zinc/40/95/04/1282409504.db2.gz MQRGKSLYGYRDHV-UHFFFAOYSA-N 1 0 337.483 2.682 20 10 EFCDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809704042 1282416349 /nfs/dbraw/zinc/41/63/49/1282416349.db2.gz UFUBKOLRXDHADP-SJLPKXTDSA-N 1 0 347.478 2.721 20 10 EFCDRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000809723206 1282427439 /nfs/dbraw/zinc/42/74/39/1282427439.db2.gz RMUZNHGDLMRKCG-OAHLLOKOSA-N 1 0 336.432 2.844 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](CO)COC(C)C)cc1F ZINC000809768741 1282430418 /nfs/dbraw/zinc/43/04/18/1282430418.db2.gz VRNGFZYKIDPCCU-INIZCTEOSA-N 1 0 326.456 2.890 20 10 EFCDRO COc1cccc(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)c1O ZINC000809739894 1282438712 /nfs/dbraw/zinc/43/87/12/1282438712.db2.gz GCONXNLWIPSRDK-UHFFFAOYSA-N 1 0 344.802 2.925 20 10 EFCDRO COc1cccc(C[NH2+]Cc2ccnn2-c2ccccc2OC)c1O ZINC000809740045 1282439993 /nfs/dbraw/zinc/43/99/93/1282439993.db2.gz KLBWPOVIKVXFFB-UHFFFAOYSA-N 1 0 339.395 2.885 20 10 EFCDRO Cc1cc(Br)cc(CN(C)CC[N@H+](C)C2CC2)c1O ZINC000809754023 1282456437 /nfs/dbraw/zinc/45/64/37/1282456437.db2.gz ADZIOQAUDSMMHU-UHFFFAOYSA-N 1 0 327.266 2.989 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3cccc4c3COC4=O)cc2)CC1 ZINC000809792234 1282490316 /nfs/dbraw/zinc/49/03/16/1282490316.db2.gz NQILTMVCYRWORV-UHFFFAOYSA-N 1 0 337.423 2.721 20 10 EFCDRO Cc1cc(C[N@@H+](C)CCNC(=O)N(C)C)ccc1N1CCCCC1 ZINC000828603402 1287587552 /nfs/dbraw/zinc/58/75/52/1287587552.db2.gz AXQLVZNBSNHNPM-UHFFFAOYSA-N 1 0 332.492 2.688 20 10 EFCDRO C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815555446 1287592172 /nfs/dbraw/zinc/59/21/72/1287592172.db2.gz ZSCCSMNDIFBOQE-ZDUSSCGKSA-N 1 0 345.409 2.699 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@@]1(C)CCCO1 ZINC000815564694 1287598412 /nfs/dbraw/zinc/59/84/12/1287598412.db2.gz PSFMXLSRBCGVAS-OXJNMPFZSA-N 1 0 332.488 2.943 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3cccc4[nH]c(=O)oc43)cc2)CC1 ZINC000810161459 1282997727 /nfs/dbraw/zinc/99/77/27/1282997727.db2.gz KDDCQWYNLOGBNQ-UHFFFAOYSA-N 1 0 338.411 2.897 20 10 EFCDRO CC[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccc(C(F)(F)F)cc1O ZINC000810238451 1283090456 /nfs/dbraw/zinc/09/04/56/1283090456.db2.gz PYGJQACMEYENDU-SNVBAGLBSA-N 1 0 340.292 2.833 20 10 EFCDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccc(C(F)(F)F)cc1O ZINC000810240878 1283095570 /nfs/dbraw/zinc/09/55/70/1283095570.db2.gz HTHFBXNYWLBMMB-JOYOIKCWSA-N 1 0 336.329 2.926 20 10 EFCDRO C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815595561 1287621168 /nfs/dbraw/zinc/62/11/68/1287621168.db2.gz VIBNRAXZLOXMPF-UWVGGRQHSA-N 1 0 328.334 2.825 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2cnco2)cc1C ZINC001135117988 1287631492 /nfs/dbraw/zinc/63/14/92/1287631492.db2.gz FXEKWWRSYDWNKO-ZIAGYGMSSA-N 1 0 331.416 2.678 20 10 EFCDRO C[C@@H]1CN(c2ccc(NCc3cc4ccccc4cc3O)nn2)CC[NH2+]1 ZINC001171399775 1283349794 /nfs/dbraw/zinc/34/97/94/1283349794.db2.gz LJBPQBWRKYBFRM-CQSZACIVSA-N 1 0 349.438 2.746 20 10 EFCDRO CN1CC[C@@](O)(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815616177 1287639525 /nfs/dbraw/zinc/63/95/25/1287639525.db2.gz IBWPXXLXYWLCOX-TZIWHRDSSA-N 1 0 340.467 2.722 20 10 EFCDRO COc1cc(C[C@@H](CO)C[NH2+]Cc2cc(C)ccc2O)cc(OC)c1 ZINC000747621862 1283461625 /nfs/dbraw/zinc/46/16/25/1283461625.db2.gz CICMZDIOBKJBDT-MRXNPFEDSA-N 1 0 345.439 2.659 20 10 EFCDRO COCCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001132582524 1283951891 /nfs/dbraw/zinc/95/18/91/1283951891.db2.gz RPLZDIVPXQMKAU-YJBOKZPZSA-N 1 0 348.487 2.614 20 10 EFCDRO CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715791963 1284331831 /nfs/dbraw/zinc/33/18/31/1284331831.db2.gz MGSGJWSHYJPSKV-SNVBAGLBSA-N 1 0 331.229 2.725 20 10 EFCDRO CSC1(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCC1 ZINC000811486965 1284344532 /nfs/dbraw/zinc/34/45/32/1284344532.db2.gz PYTIKYIYTHQJDN-MRXNPFEDSA-N 1 0 347.528 2.764 20 10 EFCDRO CCOc1cccc(C[N@H+](C)C2CN(C(=O)OC(C)(C)C)C2)c1O ZINC000811514712 1284392112 /nfs/dbraw/zinc/39/21/12/1284392112.db2.gz DHFQUBFWLDVIDO-UHFFFAOYSA-N 1 0 336.432 2.842 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2nc(Cl)cs2)cc1C ZINC001132876235 1284410782 /nfs/dbraw/zinc/41/07/82/1284410782.db2.gz NJBNGHFZPCUOGF-UHFFFAOYSA-N 1 0 339.848 2.633 20 10 EFCDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000811884998 1284729889 /nfs/dbraw/zinc/72/98/89/1284729889.db2.gz SSNYHWAHYYITAE-QGZVFWFLSA-N 1 0 344.503 2.982 20 10 EFCDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCCSc1nccs1 ZINC000812154989 1284930140 /nfs/dbraw/zinc/93/01/40/1284930140.db2.gz XYWMOJOMYKWIKT-LBPRGKRZSA-N 1 0 330.523 2.653 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)Cc2cccc(C)c2)cc1C ZINC001133185001 1284949373 /nfs/dbraw/zinc/94/93/73/1284949373.db2.gz PFEGDPYXRPUNOV-UHFFFAOYSA-N 1 0 326.440 2.761 20 10 EFCDRO Oc1ccc([C@H](O)C[NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)cc1O ZINC001171447290 1285214637 /nfs/dbraw/zinc/21/46/37/1285214637.db2.gz ZUNHESTUXMNZND-FZKQIMNGSA-N 1 0 335.350 2.557 20 10 EFCDRO CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)CC[C@@H]21 ZINC001036905346 1285401561 /nfs/dbraw/zinc/40/15/61/1285401561.db2.gz IEUYGCIKZYITIB-ZBFHGGJFSA-N 1 0 343.431 2.795 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c(O)c1 ZINC000812781783 1285415275 /nfs/dbraw/zinc/41/52/75/1285415275.db2.gz FWPYQGVPYGXSAW-FQEVSTJZSA-N 1 0 327.424 2.927 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2CCOCC2)cc1C ZINC001133469796 1285461315 /nfs/dbraw/zinc/46/13/15/1285461315.db2.gz STIMQYWAHSWLQJ-HOTGVXAUSA-N 1 0 348.487 2.803 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2CCOCC2)cc1C ZINC001133469795 1285461326 /nfs/dbraw/zinc/46/13/26/1285461326.db2.gz STIMQYWAHSWLQJ-CVEARBPZSA-N 1 0 348.487 2.803 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2CCOCC2)cc1C ZINC001133469798 1285461392 /nfs/dbraw/zinc/46/13/92/1285461392.db2.gz STIMQYWAHSWLQJ-JKSUJKDBSA-N 1 0 348.487 2.803 20 10 EFCDRO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)CC1 ZINC001171873341 1285833573 /nfs/dbraw/zinc/83/35/73/1285833573.db2.gz MUHUNHUYWHAGNF-QGZVFWFLSA-N 1 0 340.423 2.882 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)CSC)C3)cc1C ZINC001094851455 1285906234 /nfs/dbraw/zinc/90/62/34/1285906234.db2.gz FGDYQQDWMOYATG-ULQDDVLXSA-N 1 0 348.512 2.836 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)COCC2CC2)cc1C ZINC001133779002 1285917363 /nfs/dbraw/zinc/91/73/63/1285917363.db2.gz JNWJDHYMSNKBDW-HZPDHXFCSA-N 1 0 348.487 2.803 20 10 EFCDRO Cc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)c(O)c1O ZINC000813618040 1286026540 /nfs/dbraw/zinc/02/65/40/1286026540.db2.gz HAUCFHWRRIBYPG-OAHLLOKOSA-N 1 0 332.375 2.578 20 10 EFCDRO O=C1CC[C@@H]2C[C@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)CCN12 ZINC001172148444 1286038661 /nfs/dbraw/zinc/03/86/61/1286038661.db2.gz XYJXKKGRYSGKDZ-IEBWSBKVSA-N 1 0 327.472 2.920 20 10 EFCDRO C[C@H](NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccc(N(C)C)cc1 ZINC000813720984 1286073084 /nfs/dbraw/zinc/07/30/84/1286073084.db2.gz ZNIQYMXKKDOVDE-HNAYVOBHSA-N 1 0 330.476 2.551 20 10 EFCDRO CCOCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133906670 1286089715 /nfs/dbraw/zinc/08/97/15/1286089715.db2.gz YSJLTFPAWZUAPE-HOTGVXAUSA-N 1 0 336.476 2.803 20 10 EFCDRO CCOCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133906671 1286090220 /nfs/dbraw/zinc/09/02/20/1286090220.db2.gz YSJLTFPAWZUAPE-HZPDHXFCSA-N 1 0 336.476 2.803 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(=O)C(C)(C)C)cc1C ZINC001133932785 1286137301 /nfs/dbraw/zinc/13/73/01/1286137301.db2.gz PLYHYBIEROTTGS-LSDHHAIUSA-N 1 0 348.487 2.992 20 10 EFCDRO COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC001172605638 1286199375 /nfs/dbraw/zinc/19/93/75/1286199375.db2.gz ZMXBMGJABNIJDE-MFKMUULPSA-N 1 0 342.233 2.976 20 10 EFCDRO COC(=O)[C@@H]1CCC[C@H]([NH+]2CCN(c3ccc(OC)cc3C)CC2)C1 ZINC001172638368 1286215879 /nfs/dbraw/zinc/21/58/79/1286215879.db2.gz WTNNVXHROHJPSV-SJORKVTESA-N 1 0 346.471 2.857 20 10 EFCDRO COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001172764565 1286268655 /nfs/dbraw/zinc/26/86/55/1286268655.db2.gz FCIFMACNQXFVTA-ROUUACIJSA-N 1 0 346.471 2.735 20 10 EFCDRO COC(=O)[C@@H]1CCC[C@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001172806697 1286284852 /nfs/dbraw/zinc/28/48/52/1286284852.db2.gz KESAVTKGSLTORT-CJNGLKHVSA-N 1 0 333.428 2.968 20 10 EFCDRO CCC[N@H+](CC(N)=O)Cc1ccc(OCc2ccccc2)cc1O ZINC000814177760 1286360383 /nfs/dbraw/zinc/36/03/83/1286360383.db2.gz OFNGKIXEZLFMAZ-UHFFFAOYSA-N 1 0 328.412 2.669 20 10 EFCDRO COCCOc1ccc(N2CC[NH+]([C@@H]3CCC[C@H](OC)C3)CC2)cc1 ZINC001172952705 1286369957 /nfs/dbraw/zinc/36/99/57/1286369957.db2.gz XNRWVFQXIWCHGY-QUCCMNQESA-N 1 0 348.487 2.791 20 10 EFCDRO C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001172956226 1286371378 /nfs/dbraw/zinc/37/13/78/1286371378.db2.gz YCVUWCZVAKQWIT-CYBMUJFWSA-N 1 0 338.448 2.875 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2coc(C)n2)cc1C ZINC001134173465 1286410528 /nfs/dbraw/zinc/41/05/28/1286410528.db2.gz TWZYFDZNULCQBV-KBPBESRZSA-N 1 0 345.443 2.987 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCc2ncsc2C1 ZINC001173136161 1286424351 /nfs/dbraw/zinc/42/43/51/1286424351.db2.gz DWRMZSWWCJNQTE-QGZVFWFLSA-N 1 0 343.496 2.969 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2=CCOCC2)cc1C ZINC001134196306 1286455047 /nfs/dbraw/zinc/45/50/47/1286455047.db2.gz CBBSDHYFCAIVQY-CVEARBPZSA-N 1 0 346.471 2.723 20 10 EFCDRO CCOC(=O)[C@@H]1CC12CCC([NH2+]CCc1ccc(O)c(O)c1)CC2 ZINC001173604752 1286713127 /nfs/dbraw/zinc/71/31/27/1286713127.db2.gz UEDKYSHCFDBVNA-HVEKOLDVSA-N 1 0 333.428 2.742 20 10 EFCDRO COC(=O)c1ccc(C[C@@H](C)[NH2+]CCc2ccc(O)c(O)c2)cc1 ZINC001173714961 1286765743 /nfs/dbraw/zinc/76/57/43/1286765743.db2.gz LQKLZKXXWKSEJY-CYBMUJFWSA-N 1 0 329.396 2.648 20 10 EFCDRO COC(=O)c1ccc(C[C@H](C)[NH2+]CCc2ccc(O)c(O)c2)cc1 ZINC001173714962 1286765877 /nfs/dbraw/zinc/76/58/77/1286765877.db2.gz LQKLZKXXWKSEJY-ZDUSSCGKSA-N 1 0 329.396 2.648 20 10 EFCDRO CC[C@@H](OC1CCCC1)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001134589293 1286926857 /nfs/dbraw/zinc/92/68/57/1286926857.db2.gz RHZMKIHEUUCVOH-GOSISDBHSA-N 1 0 348.487 2.947 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)CC[C@H]2CCCCO2)cc1C ZINC001134573984 1286935478 /nfs/dbraw/zinc/93/54/78/1286935478.db2.gz JKYXTFIPQLCLMZ-QGZVFWFLSA-N 1 0 334.460 2.559 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)CO[C@@H]2CCC[C@H](C)C2)cc1C ZINC001134622340 1286979708 /nfs/dbraw/zinc/97/97/08/1286979708.db2.gz IWTBTWCXXWJGJT-MAUKXSAKSA-N 1 0 348.487 2.805 20 10 EFCDRO Cc1cc(Nc2c(N)ccc3c2C(=O)c2ccccc2C3=O)cc[nH+]1 ZINC001174655962 1287119788 /nfs/dbraw/zinc/11/97/88/1287119788.db2.gz BAGUBQNMIGNNLZ-UHFFFAOYSA-N 1 0 329.359 2.913 20 10 EFCDRO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816496302 1288163142 /nfs/dbraw/zinc/16/31/42/1288163142.db2.gz DRKAYCZARBVPTJ-SFHVURJKSA-N 1 0 347.455 2.780 20 10 EFCDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816552861 1288210683 /nfs/dbraw/zinc/21/06/83/1288210683.db2.gz ZLSXHWLATBRQDM-HZPDHXFCSA-N 1 0 333.453 2.991 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000816657101 1288230810 /nfs/dbraw/zinc/23/08/10/1288230810.db2.gz KGQXYRDRUPGHJT-HXUWFJFHSA-N 1 0 342.483 2.914 20 10 EFCDRO CC[C@H]1C[N@H+](C)CCN1Cc1cc(Br)cc(C)c1O ZINC000816660550 1288232640 /nfs/dbraw/zinc/23/26/40/1288232640.db2.gz IISCNVDGEAKKQQ-AWEZNQCLSA-N 1 0 327.266 2.989 20 10 EFCDRO O[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C12CCCC2 ZINC000816630708 1288236777 /nfs/dbraw/zinc/23/67/77/1288236777.db2.gz OTDCNFYWWUKQNB-SFHVURJKSA-N 1 0 334.435 2.542 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2c(C)nsc2C)cc1C ZINC001177111532 1288276373 /nfs/dbraw/zinc/27/63/73/1288276373.db2.gz RBONMXGCEGSRCO-UHFFFAOYSA-N 1 0 347.484 2.987 20 10 EFCDRO CC(C)(C)CC[NH2+]CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177238493 1288343877 /nfs/dbraw/zinc/34/38/77/1288343877.db2.gz ZAHZTBTYZLFEBN-UHFFFAOYSA-N 1 0 333.436 2.995 20 10 EFCDRO CC1CC(C[NH2+]CCCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001177238429 1288344009 /nfs/dbraw/zinc/34/40/09/1288344009.db2.gz VPVXZVJQRJZHGL-UHFFFAOYSA-N 1 0 331.420 2.605 20 10 EFCDRO C[C@H](NC(=O)NC1CCC([NH+](C)C)CC1)c1ccc(N(C)C)cc1 ZINC000817164266 1288446935 /nfs/dbraw/zinc/44/69/35/1288446935.db2.gz FLTBQRLHHPBOQD-NXVRBGIVSA-N 1 0 332.492 2.986 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000817179150 1288450746 /nfs/dbraw/zinc/45/07/46/1288450746.db2.gz YAOVFYKSQVBPDC-IYXRBSQSSA-N 1 0 335.448 2.634 20 10 EFCDRO C[NH+](C)C1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000817178475 1288452239 /nfs/dbraw/zinc/45/22/39/1288452239.db2.gz XCVCAXLXCXTGEW-UHFFFAOYSA-N 1 0 345.487 2.943 20 10 EFCDRO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000817370326 1288562202 /nfs/dbraw/zinc/56/22/02/1288562202.db2.gz NPWSZIAXJNIWCA-TZMCWYRMSA-N 1 0 349.427 2.921 20 10 EFCDRO NC(=O)CC1(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000817411090 1288590595 /nfs/dbraw/zinc/59/05/95/1288590595.db2.gz MSESVDXNASNJQH-UHFFFAOYSA-N 1 0 349.478 2.995 20 10 EFCDRO COc1ccc(N2CC[NH+](Cc3ccc(N)nc3C)CC2)c(C)c1 ZINC001232347964 1312682397 /nfs/dbraw/zinc/68/23/97/1312682397.db2.gz VLGRSTUUZJWOPR-UHFFFAOYSA-N 1 0 326.444 2.611 20 10 EFCDRO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204233355 1288982837 /nfs/dbraw/zinc/98/28/37/1288982837.db2.gz QJOMNEUHJPHHQZ-LJQANCHMSA-N 1 0 330.403 2.993 20 10 EFCDRO COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822494403 1288991562 /nfs/dbraw/zinc/99/15/62/1288991562.db2.gz NTSOWKCFYCKKOA-HNNXBMFYSA-N 1 0 334.460 2.700 20 10 EFCDRO COC(=O)C(C)(C)CC[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822494404 1288991566 /nfs/dbraw/zinc/99/15/66/1288991566.db2.gz NTSOWKCFYCKKOA-OAHLLOKOSA-N 1 0 334.460 2.700 20 10 EFCDRO COc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1O ZINC000822527069 1289009585 /nfs/dbraw/zinc/00/95/85/1289009585.db2.gz YJYLMABQHPYBCS-HNNXBMFYSA-N 1 0 347.459 2.607 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@H]2CC[C@H](C)O2)cc1C ZINC001165836571 1312690179 /nfs/dbraw/zinc/69/01/79/1312690179.db2.gz BKADYICCWGOXDU-DOTOQJQBSA-N 1 0 334.460 2.557 20 10 EFCDRO Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903447705 1312692857 /nfs/dbraw/zinc/69/28/57/1312692857.db2.gz BMKFNWRACRCQRH-AUUYWEPGSA-N 1 0 329.492 2.748 20 10 EFCDRO CC[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cnn(C)c1 ZINC000903447739 1312692925 /nfs/dbraw/zinc/69/29/25/1312692925.db2.gz BWCJDTQFCPNNFE-OALUTQOASA-N 1 0 329.492 2.830 20 10 EFCDRO CCn1cc([C@@H](C)[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000903447697 1312693199 /nfs/dbraw/zinc/69/31/99/1312693199.db2.gz BEZZYQATBUUXIW-DNVCBOLYSA-N 1 0 329.492 2.923 20 10 EFCDRO C[C@@H](Cc1ccccn1)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448170 1312693712 /nfs/dbraw/zinc/69/37/12/1312693712.db2.gz LQXLQMXXQFQHQI-JXFKEZNVSA-N 1 0 326.488 2.971 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@@H](C)[C@@H](O)CC2)c2ccccc2n1C ZINC001232402574 1312694166 /nfs/dbraw/zinc/69/41/66/1312694166.db2.gz PQXWQQQQIREPPF-DYVFJYSZSA-N 1 0 330.428 2.558 20 10 EFCDRO COC(=O)c1c(C[NH+]2CCC3(CCOC3)CC2)c2ccccc2n1C ZINC001232401952 1312694248 /nfs/dbraw/zinc/69/42/48/1312694248.db2.gz GZGUDUBYVHUFII-UHFFFAOYSA-N 1 0 342.439 2.967 20 10 EFCDRO C[C@H](Cc1ccccn1)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448172 1312694278 /nfs/dbraw/zinc/69/42/78/1312694278.db2.gz LQXLQMXXQFQHQI-OXQOHEQNSA-N 1 0 326.488 2.971 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@H](C(C)=O)C2)c2ccccc2n1C ZINC001232405175 1312694613 /nfs/dbraw/zinc/69/46/13/1312694613.db2.gz HQLWHWMSHNVJPT-AWEZNQCLSA-N 1 0 328.412 2.766 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@H](C)[C@](C)(O)CC2)c2ccccc2n1C ZINC001232402957 1312694851 /nfs/dbraw/zinc/69/48/51/1312694851.db2.gz SPPVMSIFWOITTJ-VBKZILBWSA-N 1 0 344.455 2.948 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)c2ccccc2n1C ZINC001232402968 1312695103 /nfs/dbraw/zinc/69/51/03/1312695103.db2.gz SWHRMOYGVKEBLX-BFUOFWGJSA-N 1 0 330.428 2.558 20 10 EFCDRO CCN(CC[NH+]1CCCC1)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232405090 1312695155 /nfs/dbraw/zinc/69/51/55/1312695155.db2.gz FJXJEYZWZGYWRU-UHFFFAOYSA-N 1 0 343.471 2.883 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)c2ccccc2n1C ZINC001232402969 1312695222 /nfs/dbraw/zinc/69/52/22/1312695222.db2.gz SWHRMOYGVKEBLX-YJYMSZOUSA-N 1 0 330.428 2.558 20 10 EFCDRO COC(=O)c1c(C[N@H+]2CC[C@H](OC)C[C@H]2C)c2ccccc2n1C ZINC001232409597 1312696396 /nfs/dbraw/zinc/69/63/96/1312696396.db2.gz FTVMZFSXSQYVCU-KGLIPLIRSA-N 1 0 330.428 2.964 20 10 EFCDRO CN(C)c1ccc(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1F ZINC000823736621 1289422645 /nfs/dbraw/zinc/42/26/45/1289422645.db2.gz IKYHNYQRJWIHEY-UHFFFAOYSA-N 1 0 336.432 2.585 20 10 EFCDRO CN1CCCc2cc(C[NH2+]Cc3cccc(S(C)(=O)=O)c3)ccc21 ZINC000823730631 1289434974 /nfs/dbraw/zinc/43/49/74/1289434974.db2.gz YHNQDERKBZVCEZ-UHFFFAOYSA-N 1 0 344.480 2.762 20 10 EFCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(S(C)(=O)=O)cc1 ZINC000823752732 1289437789 /nfs/dbraw/zinc/43/77/89/1289437789.db2.gz LWEAMAOZVYZGEM-CQSZACIVSA-N 1 0 345.464 2.918 20 10 EFCDRO COc1ccc(C[NH2+]C[C@]2(C)CN(C(=O)C(F)F)C[C@H]2C)cc1C ZINC001180360555 1289495337 /nfs/dbraw/zinc/49/53/37/1289495337.db2.gz JHLTTXGENAOHDL-FZKQIMNGSA-N 1 0 340.414 2.843 20 10 EFCDRO CC[C@@H](C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)N1CCCC1 ZINC000873013014 1289519552 /nfs/dbraw/zinc/51/95/52/1289519552.db2.gz QUKJNIUQJAXOLM-IBGZPJMESA-N 1 0 342.487 2.904 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(C(=O)OC)n2C)cc1 ZINC000873015841 1289521156 /nfs/dbraw/zinc/52/11/56/1289521156.db2.gz ZIFLDFVLXCQOTE-UHFFFAOYSA-N 1 0 329.444 2.948 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)c2cn(C)nc2C)cc1Cn1cccn1 ZINC000873043616 1289536750 /nfs/dbraw/zinc/53/67/50/1289536750.db2.gz PCUXOPASXNHQQR-CQSZACIVSA-N 1 0 339.443 2.833 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(CC3CC3)C2)cc1Cn1cccn1 ZINC000873047836 1289539455 /nfs/dbraw/zinc/53/94/55/1289539455.db2.gz FOMWYBNXLLOMQI-IBGZPJMESA-N 1 0 340.471 2.514 20 10 EFCDRO COc1ccc(C[NH2+]CCc2cscn2)cc1Cn1cccn1 ZINC000873054860 1289542620 /nfs/dbraw/zinc/54/26/20/1289542620.db2.gz YUPKCIJOILHOIM-UHFFFAOYSA-N 1 0 328.441 2.729 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)c2cnn(C)c2)cc1Cn1cccn1 ZINC000873060408 1289545816 /nfs/dbraw/zinc/54/58/16/1289545816.db2.gz HQXKJUIBAVMJNV-AWEZNQCLSA-N 1 0 325.416 2.524 20 10 EFCDRO CCCOc1ccc(C[NH2+]Cc2cccc(OCC(N)=O)c2)cc1C ZINC000873063260 1289547702 /nfs/dbraw/zinc/54/77/02/1289547702.db2.gz OPDDFEVUMQXRSS-UHFFFAOYSA-N 1 0 342.439 2.938 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)cc1C ZINC000873069175 1289551111 /nfs/dbraw/zinc/55/11/11/1289551111.db2.gz IDJYEAMLXKHRGI-SFHVURJKSA-N 1 0 346.471 2.653 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)cc1Cn1cccn1 ZINC000873074229 1289554337 /nfs/dbraw/zinc/55/43/37/1289554337.db2.gz JOLCVDQGFIDPHQ-FPOVZHCZSA-N 1 0 349.434 2.688 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](OC)C2(C)C)cc1Cn1cccn1 ZINC000873075552 1289555839 /nfs/dbraw/zinc/55/58/39/1289555839.db2.gz XJHRPMPPEWVBKM-ZWKOTPCHSA-N 1 0 329.444 2.843 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H]2CCOC2)cc1Cn1cccn1 ZINC000873078090 1289556260 /nfs/dbraw/zinc/55/62/60/1289556260.db2.gz DGFMXHRHSMDZQA-WBVHZDCISA-N 1 0 329.444 2.845 20 10 EFCDRO CCC(CC)(CO)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873095492 1289566691 /nfs/dbraw/zinc/56/66/91/1289566691.db2.gz XCFTXGONAHOCJJ-UHFFFAOYSA-N 1 0 331.460 2.828 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)[C@H]1CCCO1 ZINC000873097810 1289567294 /nfs/dbraw/zinc/56/72/94/1289567294.db2.gz GGKMJSGTIQUNFX-PKOBYXMFSA-N 1 0 329.444 2.987 20 10 EFCDRO COc1ccc(C[NH2+]CCc2ccncc2C)cc1Cn1cccn1 ZINC000873098610 1289567382 /nfs/dbraw/zinc/56/73/82/1289567382.db2.gz SMOKHEVCABYONK-UHFFFAOYSA-N 1 0 336.439 2.976 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)[C@@H]1CCCO1 ZINC000873097809 1289567631 /nfs/dbraw/zinc/56/76/31/1289567631.db2.gz GGKMJSGTIQUNFX-MJGOQNOKSA-N 1 0 329.444 2.987 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)[C@H]1CCCO1 ZINC000873097808 1289568024 /nfs/dbraw/zinc/56/80/24/1289568024.db2.gz GGKMJSGTIQUNFX-IEBWSBKVSA-N 1 0 329.444 2.987 20 10 EFCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)cc1C ZINC000873100805 1289568365 /nfs/dbraw/zinc/56/83/65/1289568365.db2.gz FIBMECNTBRGWLF-FUHWJXTLSA-N 1 0 334.460 2.509 20 10 EFCDRO COc1ccc(C[NH2+]CC2([C@@H](O)C(C)C)CC2)cc1Cn1cccn1 ZINC000873101229 1289569374 /nfs/dbraw/zinc/56/93/74/1289569374.db2.gz PUHAWNUZJYFTNT-IBGZPJMESA-N 1 0 343.471 2.827 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)cc1Cn1cccn1 ZINC000873110501 1289572085 /nfs/dbraw/zinc/57/20/85/1289572085.db2.gz QMPSQOSVQCXWEI-AEFFLSMTSA-N 1 0 329.444 2.581 20 10 EFCDRO CCC(O)(CC)CC[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873112932 1289573028 /nfs/dbraw/zinc/57/30/28/1289573028.db2.gz KQFCOYNURDYYGU-UHFFFAOYSA-N 1 0 331.460 2.971 20 10 EFCDRO COc1ccc(C[NH2+]C2(CN(C)C)CCC2)cc1Cn1cccn1 ZINC000873119541 1289578109 /nfs/dbraw/zinc/57/81/09/1289578109.db2.gz GXNIORGPWQSOBM-UHFFFAOYSA-N 1 0 328.460 2.514 20 10 EFCDRO COc1ccc(C[NH2+]CCCOC(F)F)cc1Cn1cccn1 ZINC000873122269 1289579131 /nfs/dbraw/zinc/57/91/31/1289579131.db2.gz QDANNLXOJLWVQT-UHFFFAOYSA-N 1 0 325.359 2.659 20 10 EFCDRO CCc1nnc(CNCc2ccc(OC)c(Cn3cccn3)c2)s1 ZINC000873126588 1289581708 /nfs/dbraw/zinc/58/17/08/1289581708.db2.gz AKRMOAJTSLIFBI-UHFFFAOYSA-N 1 0 343.456 2.644 20 10 EFCDRO COc1ccc(C[NH2+]C[C@]2(O)CCCC2(C)C)cc1Cn1cccn1 ZINC000873128169 1289583670 /nfs/dbraw/zinc/58/36/70/1289583670.db2.gz FVYUCNUWRVQVNY-HXUWFJFHSA-N 1 0 343.471 2.971 20 10 EFCDRO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(O)c(C(C)(C)C)c1 ZINC000825658728 1289603155 /nfs/dbraw/zinc/60/31/55/1289603155.db2.gz SGOUNMDZSCJTDN-YLQAJVPDSA-N 1 0 346.471 2.784 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)C(=O)NCCF ZINC000824339285 1289613674 /nfs/dbraw/zinc/61/36/74/1289613674.db2.gz RHYTZNAGDWGENQ-AWEZNQCLSA-N 1 0 349.475 2.948 20 10 EFCDRO COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2cc(C)ccc2O)c1 ZINC000873194626 1289634432 /nfs/dbraw/zinc/63/44/32/1289634432.db2.gz ICPKVTOSQZZCJU-DJJJIMSYSA-N 1 0 331.412 2.930 20 10 EFCDRO C[C@@H](C(=O)Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1)[NH+](C)C ZINC001180862458 1289646821 /nfs/dbraw/zinc/64/68/21/1289646821.db2.gz PMTLJICVUUQHSR-LBPRGKRZSA-N 1 0 341.415 2.801 20 10 EFCDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824474348 1289660567 /nfs/dbraw/zinc/66/05/67/1289660567.db2.gz NJVITNJTGUJJDM-LBPRGKRZSA-N 1 0 341.249 2.503 20 10 EFCDRO COc1cc(Br)cc(C[N@H+](C(C)C)C2COC2)c1O ZINC000824472601 1289660787 /nfs/dbraw/zinc/66/07/87/1289660787.db2.gz VVBDCAVPYVLIKG-UHFFFAOYSA-N 1 0 330.222 2.773 20 10 EFCDRO CCC[NH+]1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000124501114 1289773275 /nfs/dbraw/zinc/77/32/75/1289773275.db2.gz MSYRWLLRKUKKHW-UHFFFAOYSA-N 1 0 327.266 2.991 20 10 EFCDRO CCO[C@@H](CC)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001181412992 1289785634 /nfs/dbraw/zinc/78/56/34/1289785634.db2.gz SUDIIGQMORTFLD-SJORKVTESA-N 1 0 334.460 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C)OCC3CC3)C2)cc1C ZINC001181452564 1289794892 /nfs/dbraw/zinc/79/48/92/1289794892.db2.gz PHUIQNACBUISLU-MAUKXSAKSA-N 1 0 346.471 2.509 20 10 EFCDRO O=C(NCc1cc(Cl)c2cccnc2c1O)C12CC[NH+](CC1)CC2 ZINC001181551606 1289843181 /nfs/dbraw/zinc/84/31/81/1289843181.db2.gz IXKQMXHQPBGMIY-UHFFFAOYSA-N 1 0 345.830 2.696 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC001016369634 1312748331 /nfs/dbraw/zinc/74/83/31/1312748331.db2.gz UDHVADJKPFLWTA-INIZCTEOSA-N 1 0 343.431 2.843 20 10 EFCDRO O=C(CCc1ccc(O)c(O)c1)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001182157363 1290098105 /nfs/dbraw/zinc/09/81/05/1290098105.db2.gz NNPBPLQYSUELCQ-KRWDZBQOSA-N 1 0 346.471 2.801 20 10 EFCDRO C[C@H](C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)[NH+](C)C ZINC000873971803 1290146182 /nfs/dbraw/zinc/14/61/82/1290146182.db2.gz SJULPAQYARYYRC-OAHLLOKOSA-N 1 0 329.444 2.825 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)[C@@H](C)C2)cc(O)c1O ZINC001204342869 1290203482 /nfs/dbraw/zinc/20/34/82/1290203482.db2.gz NWENGVCENBGVNJ-BONVTDFDSA-N 1 0 349.349 2.632 20 10 EFCDRO CCOCc1noc2c1C[N@H+](Cc1ccc(N(C)C)cc1O)CC2 ZINC001232837484 1312791856 /nfs/dbraw/zinc/79/18/56/1312791856.db2.gz ISHDGYBFSGCSEG-UHFFFAOYSA-N 1 0 331.416 2.541 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC001232836533 1312791946 /nfs/dbraw/zinc/79/19/46/1312791946.db2.gz PJCVNDBTDVFLFW-HNNXBMFYSA-N 1 0 332.366 2.738 20 10 EFCDRO CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(N(C)C)cc3O)CC[C@@H]21 ZINC001232837274 1312791973 /nfs/dbraw/zinc/79/19/73/1312791973.db2.gz CSOGYWDTNSWVCK-QAPCUYQASA-N 1 0 345.487 2.537 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(Oc3cccnc3)CC2)c(O)c1 ZINC001232838987 1312792102 /nfs/dbraw/zinc/79/21/02/1312792102.db2.gz LRDBJROFBQCNBJ-UHFFFAOYSA-N 1 0 327.428 2.897 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](Oc3cccnc3)C2)c(O)c1 ZINC001232838322 1312792368 /nfs/dbraw/zinc/79/23/68/1312792368.db2.gz DTRIHHADIZHTRJ-SFHVURJKSA-N 1 0 327.428 2.897 20 10 EFCDRO CCOCc1ncn2c1C[N@H+](Cc1ccc(N(C)C)cc1O)CCC2 ZINC001232839723 1312792683 /nfs/dbraw/zinc/79/26/83/1312792683.db2.gz VIWUQJCDGIDIRY-UHFFFAOYSA-N 1 0 344.459 2.597 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c(O)c1 ZINC001232840956 1312793005 /nfs/dbraw/zinc/79/30/05/1312793005.db2.gz OFCHUDOAWQBKIZ-UHFFFAOYSA-N 1 0 328.412 2.818 20 10 EFCDRO COc1cccc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3O)C2)n1 ZINC001232841546 1312793095 /nfs/dbraw/zinc/79/30/95/1312793095.db2.gz JIZPTYCGAYOFGL-INIZCTEOSA-N 1 0 343.427 2.515 20 10 EFCDRO Cc1cccnc1O[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232841292 1312793101 /nfs/dbraw/zinc/79/31/01/1312793101.db2.gz BEXDBTXXHIGPIR-QGZVFWFLSA-N 1 0 327.428 2.815 20 10 EFCDRO COC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232840930 1312793218 /nfs/dbraw/zinc/79/32/18/1312793218.db2.gz NENPKRXZGBPZHQ-SFHVURJKSA-N 1 0 342.439 2.674 20 10 EFCDRO Cc1cnc(OC2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)nc1 ZINC001232841600 1312793410 /nfs/dbraw/zinc/79/34/10/1312793410.db2.gz LEMBKSLTVBTUEE-UHFFFAOYSA-N 1 0 342.443 2.600 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)c(O)c1 ZINC001232842031 1312794001 /nfs/dbraw/zinc/79/40/01/1312794001.db2.gz XMOJIHSUHUNUHM-GOSISDBHSA-N 1 0 327.428 2.897 20 10 EFCDRO CCC[NH+]1CCC([N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000092165522 1290656662 /nfs/dbraw/zinc/65/66/62/1290656662.db2.gz MQLOCWXHWGKCLP-UHFFFAOYSA-N 1 0 331.504 2.829 20 10 EFCDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1c(F)ccc(O)c1O ZINC000825849428 1290812434 /nfs/dbraw/zinc/81/24/34/1290812434.db2.gz HFBWKLXPZCPVJN-AWEZNQCLSA-N 1 0 344.386 2.631 20 10 EFCDRO CO[C@@H](C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C1CCOCC1 ZINC000876531692 1290936876 /nfs/dbraw/zinc/93/68/76/1290936876.db2.gz MKDCJOJQJLLSBX-ICSRJNTNSA-N 1 0 349.471 2.815 20 10 EFCDRO OC1CCN(c2ccc(C[N@H+](C[C@H]3CCOC3)C3CC3)cc2)CC1 ZINC000876570653 1290944969 /nfs/dbraw/zinc/94/49/69/1290944969.db2.gz KAZIHZUESJPPDU-QGZVFWFLSA-N 1 0 330.472 2.649 20 10 EFCDRO COCC[C@H](C[N@H+](C)Cc1ccccc1O)NC(=O)OC(C)(C)C ZINC000876615818 1290956688 /nfs/dbraw/zinc/95/66/88/1290956688.db2.gz MBENEAWBKCHYPM-OAHLLOKOSA-N 1 0 338.448 2.754 20 10 EFCDRO OC1CCN(c2ccc(C[NH+]3CCC(c4cn[nH]c4)CC3)cc2)CC1 ZINC000876633813 1290960839 /nfs/dbraw/zinc/96/08/39/1290960839.db2.gz USKYKKURZDGFMQ-UHFFFAOYSA-N 1 0 340.471 2.750 20 10 EFCDRO COc1ccc(C[N@H+](CCO)Cc2c(C)cccc2O)c(OC)c1 ZINC000876731546 1290993375 /nfs/dbraw/zinc/99/33/75/1290993375.db2.gz SAKKEXJHLICGJH-UHFFFAOYSA-N 1 0 331.412 2.712 20 10 EFCDRO CC(C)[N@H+](CCCO)Cc1ccc(I)cc1O ZINC001232979026 1312824320 /nfs/dbraw/zinc/82/43/20/1312824320.db2.gz RDNMOCZLUBEOGM-UHFFFAOYSA-N 1 0 349.212 2.590 20 10 EFCDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876738633 1290996992 /nfs/dbraw/zinc/99/69/92/1290996992.db2.gz INRIZVKXFDJDTD-GOSISDBHSA-N 1 0 332.488 2.896 20 10 EFCDRO Cc1cccc(O)c1C[NH+]1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000876753037 1291006710 /nfs/dbraw/zinc/00/67/10/1291006710.db2.gz HCYWBXNCBJPJEL-UHFFFAOYSA-N 1 0 344.459 2.699 20 10 EFCDRO Cc1cccc(O)c1C[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000876890305 1291059572 /nfs/dbraw/zinc/05/95/72/1291059572.db2.gz WPOITAYYMCEPHA-MRXNPFEDSA-N 1 0 332.469 2.925 20 10 EFCDRO Cc1ccc([C@H](C[NH2+]Cc2ccc(C)cc2O)N2CCOCC2)o1 ZINC000876904766 1291068043 /nfs/dbraw/zinc/06/80/43/1291068043.db2.gz KCFBIUNNWPTFEV-KRWDZBQOSA-N 1 0 330.428 2.765 20 10 EFCDRO CC(C)[C@H](CNCc1ccc(N2CCC(O)CC2)cc1)[NH+]1CCCC1 ZINC000876923934 1291075031 /nfs/dbraw/zinc/07/50/31/1291075031.db2.gz JIKBEKAVCYIAJQ-NRFANRHFSA-N 1 0 345.531 2.858 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]CCSC(F)(F)F)cc2)CC1 ZINC000876938346 1291078882 /nfs/dbraw/zinc/07/88/82/1291078882.db2.gz AKABDQWNPXMRAX-UHFFFAOYSA-N 1 0 334.407 2.990 20 10 EFCDRO OCc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000876966582 1291090802 /nfs/dbraw/zinc/09/08/02/1291090802.db2.gz WSSPDYVHQQSWKB-UHFFFAOYSA-N 1 0 344.430 2.569 20 10 EFCDRO COc1cc([C@H](C)[NH2+]Cc2c(C)cccc2O)ccc1OCCO ZINC000876968283 1291092204 /nfs/dbraw/zinc/09/22/04/1291092204.db2.gz PSXANJDQQHWPFJ-AWEZNQCLSA-N 1 0 331.412 2.931 20 10 EFCDRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000876986502 1291099290 /nfs/dbraw/zinc/09/92/90/1291099290.db2.gz HDASTMMHHHXODW-NUJGCVRESA-N 1 0 345.487 2.621 20 10 EFCDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825927288 1291102569 /nfs/dbraw/zinc/10/25/69/1291102569.db2.gz AZUMUJSIZRSKGT-GFCCVEGCSA-N 1 0 336.233 2.878 20 10 EFCDRO CCc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(C)cc3O)C2)ncn1 ZINC000877010120 1291106518 /nfs/dbraw/zinc/10/65/18/1291106518.db2.gz LWHDJIHMPRCDGO-QGZVFWFLSA-N 1 0 326.444 2.812 20 10 EFCDRO COC(=O)c1cccc([C@H]2CCCN2Cc2cc(O)c(O)c(O)c2)c1 ZINC001233015249 1312832459 /nfs/dbraw/zinc/83/24/59/1312832459.db2.gz GORPAZXAFKYQIJ-OAHLLOKOSA-N 1 0 343.379 2.927 20 10 EFCDRO CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](Cc1cc(O)c(O)c(O)c1)CC2 ZINC001233016240 1312832560 /nfs/dbraw/zinc/83/25/60/1312832560.db2.gz PZRVHICQFHMJGF-CQSZACIVSA-N 1 0 349.427 2.749 20 10 EFCDRO OC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccc(F)c1 ZINC000877037016 1291112646 /nfs/dbraw/zinc/11/26/46/1291112646.db2.gz XVRLIJUDNVVSPX-FQEVSTJZSA-N 1 0 344.430 2.610 20 10 EFCDRO OC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccc(F)c1 ZINC000877037018 1291112935 /nfs/dbraw/zinc/11/29/35/1291112935.db2.gz XVRLIJUDNVVSPX-HXUWFJFHSA-N 1 0 344.430 2.610 20 10 EFCDRO CCN1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877037620 1291112990 /nfs/dbraw/zinc/11/29/90/1291112990.db2.gz STGFPFJBPVISFW-IBGZPJMESA-N 1 0 331.504 2.612 20 10 EFCDRO Cc1cccc(O[C@H]2CCCN(Cc3cc(O)c(O)c(O)c3)C2)n1 ZINC001233015208 1312832607 /nfs/dbraw/zinc/83/26/07/1312832607.db2.gz FKUHYQDRAVJVKC-AWEZNQCLSA-N 1 0 330.384 2.550 20 10 EFCDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000877050037 1291117058 /nfs/dbraw/zinc/11/70/58/1291117058.db2.gz XWDMZRJGROKOBY-INIZCTEOSA-N 1 0 349.814 2.948 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)cc2=O ZINC000248545073 1291127394 /nfs/dbraw/zinc/12/73/94/1291127394.db2.gz DVJWLMKIMHOLJT-LALPHHSUSA-N 1 0 346.431 2.526 20 10 EFCDRO CCc1cc(N2CCC([NH2+]Cc3c(C)cccc3O)CC2)ncn1 ZINC000877080260 1291127721 /nfs/dbraw/zinc/12/77/21/1291127721.db2.gz OZSDVLZFMNIWPH-UHFFFAOYSA-N 1 0 326.444 2.812 20 10 EFCDRO COc1cccc(C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)c1O ZINC000093413457 1291133583 /nfs/dbraw/zinc/13/35/83/1291133583.db2.gz GGHJHFOIMNFINN-HNNXBMFYSA-N 1 0 327.428 2.675 20 10 EFCDRO Cc1ccc(C[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)c(O)c1 ZINC000877132582 1291140427 /nfs/dbraw/zinc/14/04/27/1291140427.db2.gz HUZRVOCQJJWAQE-ZDUSSCGKSA-N 1 0 332.350 2.874 20 10 EFCDRO Cc1ccc(CNc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)c(O)c1 ZINC000877160324 1291151797 /nfs/dbraw/zinc/15/17/97/1291151797.db2.gz WJCKXOMRDOWKRA-UHFFFAOYSA-N 1 0 341.411 2.782 20 10 EFCDRO Nc1ccc(Cc2nc(C(=O)N[C@H]3CC[C@H](C[NH3+])CC3)cs2)cc1 ZINC000877179451 1291155924 /nfs/dbraw/zinc/15/59/24/1291155924.db2.gz BDPJLCMRQIBRMA-CTYIDZIISA-N 1 0 344.484 2.563 20 10 EFCDRO OC1CCN(c2ccc(C[NH+]3CCC([C@@H]4CCOC4)CC3)cc2)CC1 ZINC000877306479 1291189120 /nfs/dbraw/zinc/18/91/20/1291189120.db2.gz SAVGXKKCRZSDBV-LJQANCHMSA-N 1 0 344.499 2.896 20 10 EFCDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000795693156 1291205547 /nfs/dbraw/zinc/20/55/47/1291205547.db2.gz RXICSMMBYHLCPL-WMLDXEAASA-N 1 0 348.487 2.690 20 10 EFCDRO CC(C)(C)[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000877485674 1291246309 /nfs/dbraw/zinc/24/63/09/1291246309.db2.gz CPRSRQCVZWHWQX-IBGZPJMESA-N 1 0 332.488 2.895 20 10 EFCDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)CC1CCCC1 ZINC000877497572 1291250416 /nfs/dbraw/zinc/25/04/16/1291250416.db2.gz UCKLCILVCMPMAM-LJQANCHMSA-N 1 0 346.515 2.926 20 10 EFCDRO CCC[N@H+](CCN1CCCC1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877516636 1291255622 /nfs/dbraw/zinc/25/56/22/1291255622.db2.gz HHFONQCGLACHBO-UHFFFAOYSA-N 1 0 345.531 2.956 20 10 EFCDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877522852 1291259002 /nfs/dbraw/zinc/25/90/02/1291259002.db2.gz SGLNWMKOWANAOU-UWJYYQICSA-N 1 0 343.515 2.706 20 10 EFCDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877528533 1291262137 /nfs/dbraw/zinc/26/21/37/1291262137.db2.gz DAWQVNXMUGFDKK-FQEVSTJZSA-N 1 0 332.488 2.775 20 10 EFCDRO O[C@@H]1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877563759 1291276897 /nfs/dbraw/zinc/27/68/97/1291276897.db2.gz PGLXVIVAJAPGMB-NJDAHSKKSA-N 1 0 344.499 2.773 20 10 EFCDRO Cc1cccc(O)c1C[N@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000877563918 1291277582 /nfs/dbraw/zinc/27/75/82/1291277582.db2.gz QLYDODNCBKTBEO-GOSISDBHSA-N 1 0 341.455 2.830 20 10 EFCDRO CN(Cc1ccc(N2CCC(O)CC2)cc1)C(C)(C)C[NH+]1CCCC1 ZINC000877594358 1291285306 /nfs/dbraw/zinc/28/53/06/1291285306.db2.gz QRNDSVIUKBUEPI-UHFFFAOYSA-N 1 0 345.531 2.954 20 10 EFCDRO OC1CCN(c2ccc(C[N@@H+]3CCOC[C@H]3C3CCC3)cc2)CC1 ZINC000877606711 1291289471 /nfs/dbraw/zinc/28/94/71/1291289471.db2.gz JAXPLOOWRDDZSD-FQEVSTJZSA-N 1 0 330.472 2.649 20 10 EFCDRO CCOC(=O)CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C(C)C ZINC000877618956 1291293830 /nfs/dbraw/zinc/29/38/30/1291293830.db2.gz KALUYJQFUDBXFF-UHFFFAOYSA-N 1 0 348.487 2.811 20 10 EFCDRO Nc1c(F)cccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877637189 1291301577 /nfs/dbraw/zinc/30/15/77/1291301577.db2.gz PYPNRJJTBBTLSR-UHFFFAOYSA-N 1 0 329.419 2.659 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)c1O ZINC000877646002 1291305769 /nfs/dbraw/zinc/30/57/69/1291305769.db2.gz ZPQWGWZBLBQDDF-KRWDZBQOSA-N 1 0 328.412 2.977 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1O ZINC000795722673 1291311389 /nfs/dbraw/zinc/31/13/89/1291311389.db2.gz WYSKCYYSVUOOHK-HNNXBMFYSA-N 1 0 333.350 2.989 20 10 EFCDRO Cc1cccc(O)c1C[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000877659910 1291315972 /nfs/dbraw/zinc/31/59/72/1291315972.db2.gz ADFALICFAPOJRY-UHFFFAOYSA-N 1 0 342.395 2.542 20 10 EFCDRO [O-]c1c(C[N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)ccc(F)c1F ZINC001233076019 1312850099 /nfs/dbraw/zinc/85/00/99/1312850099.db2.gz JJKOZGSPAAWOFR-ZDUSSCGKSA-N 1 0 325.277 2.950 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccccc1OCC(=O)N(C)C)c1ccccc1O ZINC000877756563 1291361163 /nfs/dbraw/zinc/36/11/63/1291361163.db2.gz SKDFYALWFIOARE-CQSZACIVSA-N 1 0 328.412 2.710 20 10 EFCDRO COc1cc(O)c(C[NH2+]Cc2cc3c([nH]c2=O)CCCC3)cc1OC ZINC000877779181 1291374058 /nfs/dbraw/zinc/37/40/58/1291374058.db2.gz AJXPXHPGPIKCNF-UHFFFAOYSA-N 1 0 344.411 2.679 20 10 EFCDRO O[C@H](CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000877779542 1291374196 /nfs/dbraw/zinc/37/41/96/1291374196.db2.gz XYRLQRZTILKPMS-HXUWFJFHSA-N 1 0 332.488 2.679 20 10 EFCDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000877820611 1291395561 /nfs/dbraw/zinc/39/55/61/1291395561.db2.gz HOMMKEOEMLQPSX-QGZVFWFLSA-N 1 0 346.471 2.688 20 10 EFCDRO CN(C)c1cc(F)c([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1F ZINC000877842549 1291402956 /nfs/dbraw/zinc/40/29/56/1291402956.db2.gz ILAPRYALLQSOGF-OAHLLOKOSA-N 1 0 342.353 2.877 20 10 EFCDRO CN(C)c1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000775180543 1291424596 /nfs/dbraw/zinc/42/45/96/1291424596.db2.gz ZLZOWKCWCFFLQH-UHFFFAOYSA-N 1 0 325.372 2.827 20 10 EFCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c1O ZINC001233105968 1312856198 /nfs/dbraw/zinc/85/61/98/1312856198.db2.gz FSCBKJAZWWQZTH-CHWSQXEVSA-N 1 0 332.213 2.758 20 10 EFCDRO COC(=O)CC[N@H+](Cc1cc(Br)cc(C)c1O)C1CC1 ZINC001233111766 1312856705 /nfs/dbraw/zinc/85/67/05/1312856705.db2.gz WVWJTVITTZUGAP-UHFFFAOYSA-N 1 0 342.233 2.991 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H](C)C(C)(F)F)cc1C ZINC001166880454 1312859181 /nfs/dbraw/zinc/85/91/81/1312859181.db2.gz YXYYZSDHMKMUCV-ZDUSSCGKSA-N 1 0 328.403 2.891 20 10 EFCDRO COc1cc(O)c(C[N@H+]2CCC[C@H](OC)C2)cc1Br ZINC001233134669 1312863125 /nfs/dbraw/zinc/86/31/25/1312863125.db2.gz AXUOUCAFUKBWIT-NSHDSACASA-N 1 0 330.222 2.774 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](O)CC2)cc1Br ZINC001233135306 1312863430 /nfs/dbraw/zinc/86/34/30/1312863430.db2.gz PRHVSHJVZIBWNX-NSHDSACASA-N 1 0 330.222 2.510 20 10 EFCDRO COc1cc(O)c(CN(C)Cc2ccno2)cc1Br ZINC001233140994 1312865001 /nfs/dbraw/zinc/86/50/01/1312865001.db2.gz BFRWJQCYZLKFDT-UHFFFAOYSA-N 1 0 327.178 2.783 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)N1CCCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000775254214 1291727386 /nfs/dbraw/zinc/72/73/86/1291727386.db2.gz IVPXONVCHRJFPT-QGZVFWFLSA-N 1 0 345.487 2.576 20 10 EFCDRO Cc1cc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)sn1 ZINC000878866568 1291834236 /nfs/dbraw/zinc/83/42/36/1291834236.db2.gz MASYLLHFBNYERQ-UHFFFAOYSA-N 1 0 345.472 2.525 20 10 EFCDRO Cc1cc(C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)ccc1N(C)C ZINC000878870269 1291836349 /nfs/dbraw/zinc/83/63/49/1291836349.db2.gz XNNLBCLROAFUSF-RTBURBONSA-N 1 0 332.488 2.861 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@@H](C)O[C@H](C)C2)c2ccccc2n1C ZINC001233270093 1312889014 /nfs/dbraw/zinc/88/90/14/1312889014.db2.gz AAFOUDDADIKWBX-ZIAGYGMSSA-N 1 0 330.428 2.964 20 10 EFCDRO CCOC(=O)c1c(CN2CC[NH+](C3CC3)CC2)c2ccccc2n1C ZINC001233270161 1312889110 /nfs/dbraw/zinc/88/91/10/1312889110.db2.gz CPMIHXXCFHXPON-UHFFFAOYSA-N 1 0 341.455 2.635 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@@H]2COC)c2ccccc2n1C ZINC001233270266 1312890027 /nfs/dbraw/zinc/89/00/27/1312890027.db2.gz HGFQZXRYKILQTD-CQSZACIVSA-N 1 0 330.428 2.966 20 10 EFCDRO CCOC(=O)c1c(CN2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2n1C ZINC001233272232 1312890430 /nfs/dbraw/zinc/89/04/30/1312890430.db2.gz CSAVPLATQHHCHU-HNNXBMFYSA-N 1 0 341.455 2.635 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)c2ccccc2n1C ZINC001233272539 1312890968 /nfs/dbraw/zinc/89/09/68/1312890968.db2.gz PAMYJDRDEABXBM-UONOGXRCSA-N 1 0 330.428 2.700 20 10 EFCDRO CCOC(=O)c1c(C[N@H+]2CC[C@@H](OCC)C2)c2ccccc2n1C ZINC001233273128 1312891215 /nfs/dbraw/zinc/89/12/15/1312891215.db2.gz PBOTYFPEKXASSC-CQSZACIVSA-N 1 0 330.428 2.966 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[C@H]2C[NH+](C)C)c2ccccc2n1C ZINC001233272499 1312891463 /nfs/dbraw/zinc/89/14/63/1312891463.db2.gz NKNAGSZYOMZNBE-HNNXBMFYSA-N 1 0 343.471 2.881 20 10 EFCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCN(c3cnccn3)CC2)c1 ZINC001233284013 1312895465 /nfs/dbraw/zinc/89/54/65/1312895465.db2.gz DSSWBMJVSIKCFI-UHFFFAOYSA-N 1 0 326.444 2.802 20 10 EFCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233290792 1312896178 /nfs/dbraw/zinc/89/61/78/1312896178.db2.gz WJIPFRKRGZGHNK-NSHDSACASA-N 1 0 327.808 2.829 20 10 EFCDRO C[C@@H]1CN(C2C[NH+](Cc3cc(C(C)(C)C)ccc3O)C2)C[C@H](C)O1 ZINC001233287569 1312896483 /nfs/dbraw/zinc/89/64/83/1312896483.db2.gz XNESHWVMUHBYJQ-GASCZTMLSA-N 1 0 332.488 2.983 20 10 EFCDRO C[C@@H](NCc1cn(Cc2cccnc2)nn1)c1ccc(N(C)C)cc1 ZINC000775364387 1292021872 /nfs/dbraw/zinc/02/18/72/1292021872.db2.gz PUUVJAGLNOTQPM-OAHLLOKOSA-N 1 0 336.443 2.638 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2c(F)cccc2F)c1 ZINC000775370515 1292086139 /nfs/dbraw/zinc/08/61/39/1292086139.db2.gz OIYYCAGGFVXZRN-JTQLQIEISA-N 1 0 336.338 2.968 20 10 EFCDRO CCc1ccc(CNC(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)s1 ZINC000775370584 1292086901 /nfs/dbraw/zinc/08/69/01/1292086901.db2.gz WVRHZBOWXKLZQA-GFCCVEGCSA-N 1 0 348.468 2.992 20 10 EFCDRO CCc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)s1 ZINC000775370585 1292087391 /nfs/dbraw/zinc/08/73/91/1292087391.db2.gz WVRHZBOWXKLZQA-LBPRGKRZSA-N 1 0 348.468 2.992 20 10 EFCDRO COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000775373750 1292106455 /nfs/dbraw/zinc/10/64/55/1292106455.db2.gz VYLUSZZSIPIMJN-CYBMUJFWSA-N 1 0 329.396 2.967 20 10 EFCDRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001233333687 1312906579 /nfs/dbraw/zinc/90/65/79/1312906579.db2.gz DVDCCWIYPLJMQQ-RDJZCZTQSA-N 1 0 327.371 2.688 20 10 EFCDRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)n(C(C)(C)C)n1 ZINC000879648665 1292217729 /nfs/dbraw/zinc/21/77/29/1292217729.db2.gz YLLDBZJHLBRFQM-CYBMUJFWSA-N 1 0 330.432 2.941 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccc(F)cc1)c1ccccc1O ZINC000879648996 1292217935 /nfs/dbraw/zinc/21/79/35/1292217935.db2.gz ISVWMLQQRIFGLY-KGLIPLIRSA-N 1 0 330.403 2.929 20 10 EFCDRO COc1cccc(COC[C@@H](O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879648979 1292218252 /nfs/dbraw/zinc/21/82/52/1292218252.db2.gz IIQZGEKIVKCKRR-ZBFHGGJFSA-N 1 0 331.412 2.629 20 10 EFCDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)c(OC)c1 ZINC000879648797 1292218347 /nfs/dbraw/zinc/21/83/47/1292218347.db2.gz DYKKBPGBZNTLSG-GFCCVEGCSA-N 1 0 330.384 2.699 20 10 EFCDRO Cc1cccc(OCCCNC(=O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879648189 1292218782 /nfs/dbraw/zinc/21/87/82/1292218782.db2.gz CUWADPUFYZOAPU-MRXNPFEDSA-N 1 0 342.439 2.937 20 10 EFCDRO COc1ccccc1COC[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648954 1292218955 /nfs/dbraw/zinc/21/89/55/1292218955.db2.gz HEOKWHQYEBTBPF-GDBMZVCRSA-N 1 0 331.412 2.629 20 10 EFCDRO CCCCc1nnc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)s1 ZINC000879649448 1292219095 /nfs/dbraw/zinc/21/90/95/1292219095.db2.gz UDULVOFJKDAWLF-LLVKDONJSA-N 1 0 334.445 2.876 20 10 EFCDRO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879649980 1292219394 /nfs/dbraw/zinc/21/93/94/1292219394.db2.gz WIVWAWLCASNIPW-CZUORRHYSA-N 1 0 329.396 2.685 20 10 EFCDRO CC[C@@H](C)C[NH+]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000957849857 1292298923 /nfs/dbraw/zinc/29/89/23/1292298923.db2.gz YJNJEKHUKNSOHR-CYBMUJFWSA-N 1 0 331.420 2.653 20 10 EFCDRO CCO[C@@H]1C[C@H]2CN(Cc3cccc(C(F)(F)F)c3O)CC[N@@H+]2C1 ZINC001233417005 1312927652 /nfs/dbraw/zinc/92/76/52/1312927652.db2.gz FLQBZGSTMPYPGN-UONOGXRCSA-N 1 0 344.377 2.706 20 10 EFCDRO Cn1cnnc1C1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233455013 1312934821 /nfs/dbraw/zinc/93/48/21/1312934821.db2.gz SEMYSAIRTOUQQR-UHFFFAOYSA-N 1 0 340.349 2.919 20 10 EFCDRO CC(=O)N1CCC([N@H+](C)Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233454455 1312934891 /nfs/dbraw/zinc/93/48/91/1312934891.db2.gz VPPTXGHROJZRBM-UHFFFAOYSA-N 1 0 330.350 2.854 20 10 EFCDRO O=C(NC1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1)C1CC1 ZINC001233454345 1312934908 /nfs/dbraw/zinc/93/49/08/1312934908.db2.gz QVKRMCUAEGBFAF-UHFFFAOYSA-N 1 0 342.361 2.902 20 10 EFCDRO Oc1cc(C(F)(F)F)ccc1C[NH+]1CCC2(C[C@H](O)CO2)CC1 ZINC001233452209 1312935391 /nfs/dbraw/zinc/93/53/91/1312935391.db2.gz NUMDFOWKTWDJOD-ZDUSSCGKSA-N 1 0 331.334 2.527 20 10 EFCDRO CC[NH+](CC)C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2O)CCO1 ZINC001233455444 1312935624 /nfs/dbraw/zinc/93/56/24/1312935624.db2.gz LPCHGSBUTYXNIW-OAHLLOKOSA-N 1 0 346.393 2.954 20 10 EFCDRO CC[NH+](CC)C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2O)CCO1 ZINC001233455443 1312935754 /nfs/dbraw/zinc/93/57/54/1312935754.db2.gz LPCHGSBUTYXNIW-HNNXBMFYSA-N 1 0 346.393 2.954 20 10 EFCDRO Oc1cc(C(F)(F)F)ccc1CN1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001233455539 1312935768 /nfs/dbraw/zinc/93/57/68/1312935768.db2.gz PCGHYBSZBNVLKS-HNNXBMFYSA-N 1 0 344.377 2.708 20 10 EFCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3O)CC[C@@H]21 ZINC001233455287 1312935857 /nfs/dbraw/zinc/93/58/57/1312935857.db2.gz DSDFDACICOIJON-RISCZKNCSA-N 1 0 342.361 2.854 20 10 EFCDRO CN1C(=O)CCC12CC[NH+](Cc1ccc(C(F)(F)F)cc1O)CC2 ZINC001233455558 1312936113 /nfs/dbraw/zinc/93/61/13/1312936113.db2.gz PMYFKZRFFQJMJT-UHFFFAOYSA-N 1 0 342.361 2.998 20 10 EFCDRO COC(=O)CC[C@H]1COCCN1Cc1ccc(C(F)(F)F)cc1O ZINC001233456204 1312936423 /nfs/dbraw/zinc/93/64/23/1312936423.db2.gz OEUHZEBIALIJSR-ZDUSSCGKSA-N 1 0 347.333 2.565 20 10 EFCDRO CCOC(=O)c1cn2cccc(C[N@H+](C)Cc3ccccc3O)c2n1 ZINC001233459283 1312937059 /nfs/dbraw/zinc/93/70/59/1312937059.db2.gz CLYCLFMGLLRBDH-UHFFFAOYSA-N 1 0 339.395 2.849 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)cc1O ZINC001233485455 1312939729 /nfs/dbraw/zinc/93/97/29/1312939729.db2.gz WKRGMKUYOANXND-LBPRGKRZSA-N 1 0 337.322 2.735 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)cc1O ZINC001233482471 1312939745 /nfs/dbraw/zinc/93/97/45/1312939745.db2.gz OREMJVVJSYAHOJ-UHFFFAOYSA-N 1 0 349.814 2.940 20 10 EFCDRO CCOC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(O)c(O)cc1O ZINC001233483494 1312939926 /nfs/dbraw/zinc/93/99/26/1312939926.db2.gz AYSLXARFWRNDKV-UHFFFAOYSA-N 1 0 345.395 2.759 20 10 EFCDRO CC(C)[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(O)c(O)cc1O ZINC001233485805 1312940368 /nfs/dbraw/zinc/94/03/68/1312940368.db2.gz LDJDISFKSCNDRF-UHFFFAOYSA-N 1 0 340.420 2.539 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC(n3ncc4ccccc43)CC2)cc1O ZINC001233485700 1312940481 /nfs/dbraw/zinc/94/04/81/1312940481.db2.gz HNYQAMMTRNRIDO-UHFFFAOYSA-N 1 0 339.395 2.990 20 10 EFCDRO CN1C[C@H]([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1=O ZINC000796284507 1292757084 /nfs/dbraw/zinc/75/70/84/1292757084.db2.gz RGGMBHUABIHCJS-LJQANCHMSA-N 1 0 335.451 2.570 20 10 EFCDRO Cc1cc(C(=O)Cn2cc([C@@H](C)[NH3+])nn2)c(C)n1-c1cccc(C)c1 ZINC000881228401 1292792294 /nfs/dbraw/zinc/79/22/94/1292792294.db2.gz UUCRYPADCGFKFW-CQSZACIVSA-N 1 0 337.427 2.897 20 10 EFCDRO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2ccccc2O)[C@@H]2CCCO[C@H]12 ZINC001203552304 1312953949 /nfs/dbraw/zinc/95/39/49/1312953949.db2.gz IPMCQFKZVJBZLJ-GGPKGHCWSA-N 1 0 342.439 2.849 20 10 EFCDRO O=C1N(CC(F)(F)F)CCC12CC[NH+](Cc1ccccc1O)CC2 ZINC001203560561 1312956099 /nfs/dbraw/zinc/95/60/99/1312956099.db2.gz CRAFQXZATIBKNM-UHFFFAOYSA-N 1 0 342.361 2.769 20 10 EFCDRO c1nnc(CC[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)[nH]1 ZINC000796318712 1292896596 /nfs/dbraw/zinc/89/65/96/1292896596.db2.gz XDBMONWMWWNWLK-UHFFFAOYSA-N 1 0 333.439 2.700 20 10 EFCDRO COc1cccc(C[NH+]2CCC3(CCn4c(C)cnc43)CC2)c1O ZINC001203592246 1312965056 /nfs/dbraw/zinc/96/50/56/1312965056.db2.gz RRLCSPCVAKWPGP-UHFFFAOYSA-N 1 0 327.428 2.843 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c1O ZINC001203593370 1312965092 /nfs/dbraw/zinc/96/50/92/1312965092.db2.gz LSGNGDVQSSMQBR-QFBILLFUSA-N 1 0 333.428 2.561 20 10 EFCDRO COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c1O ZINC001203589724 1312965122 /nfs/dbraw/zinc/96/51/22/1312965122.db2.gz MCDWLOMXBMEXOU-KKUMJFAQSA-N 1 0 348.443 2.888 20 10 EFCDRO COc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c1O ZINC001203590282 1312965147 /nfs/dbraw/zinc/96/51/47/1312965147.db2.gz VSVKKGQKZOXBNN-GJZGRUSLSA-N 1 0 348.443 2.842 20 10 EFCDRO COC[C@H]1COCCC12CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC001203593374 1312965261 /nfs/dbraw/zinc/96/52/61/1312965261.db2.gz LSZITFWWWSZNOZ-INIZCTEOSA-N 1 0 335.444 2.666 20 10 EFCDRO COc1cccc(C[NH+]2CCC(C)(C(=O)N3CCCC3)CC2)c1O ZINC001203596398 1312966517 /nfs/dbraw/zinc/96/65/17/1312966517.db2.gz APRQONAIRSBDCZ-UHFFFAOYSA-N 1 0 332.444 2.625 20 10 EFCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001203603490 1312968334 /nfs/dbraw/zinc/96/83/34/1312968334.db2.gz RKPITGZBZQDNSG-GJZGRUSLSA-N 1 0 348.443 2.985 20 10 EFCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)c1O ZINC001203609843 1312970352 /nfs/dbraw/zinc/97/03/52/1312970352.db2.gz MHINYVFCONUGSS-PHZGNYQRSA-N 1 0 344.455 2.528 20 10 EFCDRO CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2cccc(OCC)c2O)C1 ZINC001203609765 1312970495 /nfs/dbraw/zinc/97/04/95/1312970495.db2.gz JQNQACLGCWZVGY-HNNXBMFYSA-N 1 0 345.443 2.656 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)c1O ZINC001203609108 1312970529 /nfs/dbraw/zinc/97/05/29/1312970529.db2.gz ALUFRELDGWEARJ-NVXWUHKLSA-N 1 0 346.471 2.870 20 10 EFCDRO CC(C)[C@]1(C)C[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852587 1293028787 /nfs/dbraw/zinc/02/87/87/1293028787.db2.gz WZXDOUZIWDXOPE-ICSRJNTNSA-N 1 0 329.488 2.737 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC34CCCC4)cc2)CC1 ZINC000881851423 1293028953 /nfs/dbraw/zinc/02/89/53/1293028953.db2.gz UIGCYMUBURAJRU-GOSISDBHSA-N 1 0 327.472 2.635 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC(C)(C)C3)cc2)CC1 ZINC000881851956 1293029085 /nfs/dbraw/zinc/02/90/85/1293029085.db2.gz DXYIZPKORQAIHA-QGZVFWFLSA-N 1 0 329.488 2.881 20 10 EFCDRO Cc1cccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1F ZINC000881850820 1293029467 /nfs/dbraw/zinc/02/94/67/1293029467.db2.gz HGEQQKCQQLCDGD-UHFFFAOYSA-N 1 0 341.430 2.816 20 10 EFCDRO CC[C@@H]1CCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853255 1293030159 /nfs/dbraw/zinc/03/01/59/1293030159.db2.gz ORQHFLMGOYWMHZ-IEBWSBKVSA-N 1 0 329.488 2.881 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC3(CCN(CC)C3=O)CC2)c1O ZINC001203614943 1312971477 /nfs/dbraw/zinc/97/14/77/1312971477.db2.gz HUSMQHCRPNGXDE-UHFFFAOYSA-N 1 0 332.444 2.625 20 10 EFCDRO C/C(=C/C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccco1 ZINC000881855658 1293032245 /nfs/dbraw/zinc/03/22/45/1293032245.db2.gz ZTXDFLVBTDXRFW-PEZBUJJGSA-N 1 0 339.439 2.751 20 10 EFCDRO CCOc1cccc(C[N@H+]2C[C@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)c1O ZINC001203615715 1312971967 /nfs/dbraw/zinc/97/19/67/1312971967.db2.gz YUEYXNVTUFSWKL-CABCVRRESA-N 1 0 348.443 2.842 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](Oc3cnccn3)C2)c1O ZINC001203617688 1312972246 /nfs/dbraw/zinc/97/22/46/1312972246.db2.gz UKAMSEWWASUEIG-OAHLLOKOSA-N 1 0 329.400 2.624 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](Oc3ncncc3C)C2)c1O ZINC001203616949 1312972259 /nfs/dbraw/zinc/97/22/59/1312972259.db2.gz BLLFPKXJMJZKFZ-MRXNPFEDSA-N 1 0 343.427 2.933 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3cc(OC)ccn3)C2)c1O ZINC001203616916 1312972298 /nfs/dbraw/zinc/97/22/98/1312972298.db2.gz AGSDMHCHARKPGX-MRXNPFEDSA-N 1 0 344.411 2.848 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](Oc3ncc(C)cn3)C2)c1O ZINC001203617596 1312972322 /nfs/dbraw/zinc/97/23/22/1312972322.db2.gz RBRMDEIPAWDDTN-MRXNPFEDSA-N 1 0 343.427 2.933 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2ccc(OC)cc2O)Cc2c1cnn2CC ZINC001203622060 1312973170 /nfs/dbraw/zinc/97/31/70/1312973170.db2.gz NANMATPMCVASFC-OAHLLOKOSA-N 1 0 345.443 2.753 20 10 EFCDRO COc1ccc(C[NH+]2CCC3(CCn4c(C)cnc43)CC2)c(O)c1 ZINC001203622734 1312973919 /nfs/dbraw/zinc/97/39/19/1312973919.db2.gz AXGHDYLRNWDOGR-UHFFFAOYSA-N 1 0 327.428 2.843 20 10 EFCDRO COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(OC)cc1O)C2 ZINC001203623623 1312974493 /nfs/dbraw/zinc/97/44/93/1312974493.db2.gz VJCORIAGXRQZLK-DNVCBOLYSA-N 1 0 335.444 2.808 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@]3(CCCCN3C(C)=O)C2)c(O)c1 ZINC001203630854 1312976148 /nfs/dbraw/zinc/97/61/48/1312976148.db2.gz XEIXWXUDDAPEBF-LJQANCHMSA-N 1 0 332.444 2.768 20 10 EFCDRO COc1ccc(C[NH+]2CCC3(CC(=O)N(CC4CC4)C3)CC2)c(O)c1 ZINC001203635328 1312977088 /nfs/dbraw/zinc/97/70/88/1312977088.db2.gz PUVBLWVYKPFDIN-UHFFFAOYSA-N 1 0 344.455 2.625 20 10 EFCDRO COc1ccc(OC2CC[NH+](Cc3ccc(OC)cc3O)CC2)nc1 ZINC001203635166 1312977214 /nfs/dbraw/zinc/97/72/14/1312977214.db2.gz MJNFXSOLJBIOSP-UHFFFAOYSA-N 1 0 344.411 2.848 20 10 EFCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(OC)cc2O)C[C@@H]1c1ccccc1 ZINC001203635317 1312977331 /nfs/dbraw/zinc/97/73/31/1312977331.db2.gz PNRGSYKGHQDATC-MSOLQXFVSA-N 1 0 341.407 2.789 20 10 EFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233726761 1312978646 /nfs/dbraw/zinc/97/86/46/1312978646.db2.gz HDBPKCPNYNCGGD-NSHDSACASA-N 1 0 333.306 2.676 20 10 EFCDRO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203650810 1312981072 /nfs/dbraw/zinc/98/10/72/1312981072.db2.gz DEUBWNRYUMZGKC-NVXWUHKLSA-N 1 0 339.819 2.590 20 10 EFCDRO COc1cc(C(=O)N2CCC[C@@H]([NH3+])c3cc(C)ccc32)cc(O)c1O ZINC001193113793 1293175108 /nfs/dbraw/zinc/17/51/08/1293175108.db2.gz COZZHFRLTCOHAH-CQSZACIVSA-N 1 0 342.395 2.855 20 10 EFCDRO O=C(c1ccco1)N1C[C@@H]2C[NH+](Cc3cc(Cl)ccc3O)C[C@H]2C1 ZINC001203659404 1312983368 /nfs/dbraw/zinc/98/33/68/1312983368.db2.gz VCJKDKUBFVLVGL-KBPBESRZSA-N 1 0 346.814 2.843 20 10 EFCDRO COc1ccnc(O[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC001203665635 1312984165 /nfs/dbraw/zinc/98/41/65/1312984165.db2.gz QPKHPGQHPSAQDF-AWEZNQCLSA-N 1 0 349.818 2.888 20 10 EFCDRO CCN(C)C(=O)CO[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203665804 1312984203 /nfs/dbraw/zinc/98/42/03/1312984203.db2.gz VIXNRANUKFYAEO-HNNXBMFYSA-N 1 0 340.851 2.505 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)c1 ZINC001203675015 1312987115 /nfs/dbraw/zinc/98/71/15/1312987115.db2.gz HVCFMRHJDBSWOP-IEBWSBKVSA-N 1 0 333.428 2.561 20 10 EFCDRO CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)c1ccc(O)c(O)c1Cl ZINC001193254470 1293216035 /nfs/dbraw/zinc/21/60/35/1293216035.db2.gz JVZWWYJLXZEFPF-UHFFFAOYSA-N 1 0 347.802 2.849 20 10 EFCDRO C[C@@H]([NH2+]CCC(C)(C)O)c1ccc(N2CCOCC2)cc1Cl ZINC000775584986 1293221297 /nfs/dbraw/zinc/22/12/97/1293221297.db2.gz ACZPEAYUBRXYLZ-CYBMUJFWSA-N 1 0 326.868 2.988 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)c1 ZINC001203670429 1312985599 /nfs/dbraw/zinc/98/55/99/1312985599.db2.gz QOXYBKLLSFEOQS-IBGZPJMESA-N 1 0 348.443 2.986 20 10 EFCDRO C[C@H]1C[C@H]([NH2+]CCCCCS(C)(=O)=O)c2c1c(F)ccc2O ZINC000775585762 1293224461 /nfs/dbraw/zinc/22/44/61/1293224461.db2.gz IUFCWDJZBWFJSY-AAEUAGOBSA-N 1 0 329.437 2.884 20 10 EFCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233761310 1312985938 /nfs/dbraw/zinc/98/59/38/1312985938.db2.gz REQVSJQRMNINGI-LLVKDONJSA-N 1 0 333.306 2.676 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC001203670700 1312985966 /nfs/dbraw/zinc/98/59/66/1312985966.db2.gz WUPJEWIJYVCSQY-XJKSGUPXSA-N 1 0 348.443 2.842 20 10 EFCDRO Oc1c(C[N@@H+]2CCC[C@H](n3cncn3)C2)cccc1OC(F)(F)F ZINC001233761860 1312985986 /nfs/dbraw/zinc/98/59/86/1312985986.db2.gz ZPQQWCAUHUIGJZ-LBPRGKRZSA-N 1 0 342.321 2.719 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c1 ZINC001203670356 1312986001 /nfs/dbraw/zinc/98/60/01/1312986001.db2.gz ORGBVIXAIYSHAL-MRXNPFEDSA-N 1 0 348.443 2.890 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3O[C@H](c4nc(C)no4)CC[C@H]32)c1 ZINC001203673154 1312986308 /nfs/dbraw/zinc/98/63/08/1312986308.db2.gz PDNYBNZYKSMHPT-OIISXLGYSA-N 1 0 345.399 2.587 20 10 EFCDRO Oc1c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cccc1OC(F)(F)F ZINC001233761858 1312986515 /nfs/dbraw/zinc/98/65/15/1312986515.db2.gz ZPQQWCAUHUIGJZ-GFCCVEGCSA-N 1 0 342.321 2.719 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCc3ncnc(OC(C)C)c3CC2)c1 ZINC001203671917 1312986768 /nfs/dbraw/zinc/98/67/68/1312986768.db2.gz YZQPXFRTNFFTBF-UHFFFAOYSA-N 1 0 343.427 2.579 20 10 EFCDRO O=c1[nH]ccc2c1CC[N@@H+](Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001233767334 1312987536 /nfs/dbraw/zinc/98/75/36/1312987536.db2.gz AAFXMYPCKQYGSU-UHFFFAOYSA-N 1 0 340.301 2.950 20 10 EFCDRO CN1CCC[C@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3O)C[C@@H]21 ZINC001233768381 1312987929 /nfs/dbraw/zinc/98/79/29/1312987929.db2.gz QDFDYKHQKUIVPV-AAEUAGOBSA-N 1 0 330.350 2.817 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](Oc3ncccc3OC)C2)c1 ZINC001203681467 1312988956 /nfs/dbraw/zinc/98/89/56/1312988956.db2.gz YNCKAGBHTBWDBI-INIZCTEOSA-N 1 0 344.411 2.848 20 10 EFCDRO COC(=O)c1ccc(C2C[NH+](Cc3cc(OC)ccc3O)C2)cc1 ZINC001203680848 1312989264 /nfs/dbraw/zinc/98/92/64/1312989264.db2.gz HCEMGKYOAVWBIK-UHFFFAOYSA-N 1 0 327.380 2.787 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3cc(N)ccc3[N+](=O)[O-])cc2)CC1 ZINC000882880159 1293366359 /nfs/dbraw/zinc/36/63/59/1293366359.db2.gz DVGSTWOFAZGKFW-UHFFFAOYSA-N 1 0 341.415 2.541 20 10 EFCDRO Cc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c([N+](=O)[O-])c1 ZINC000882880307 1293367032 /nfs/dbraw/zinc/36/70/32/1293367032.db2.gz LZJDBAIUZSRSSL-UHFFFAOYSA-N 1 0 341.415 2.662 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3nc(N)c4ccccc4n3)cc2)CC1 ZINC000882880243 1293367408 /nfs/dbraw/zinc/36/74/08/1293367408.db2.gz JCJLTAZXFDUQKF-UHFFFAOYSA-N 1 0 348.454 2.576 20 10 EFCDRO CCOc1ccc(C[NH2+]Cc2ccc(N3CCNC3=O)cc2)c(O)c1 ZINC000883281845 1293530657 /nfs/dbraw/zinc/53/06/57/1293530657.db2.gz AHJVPMGPHCYPLJ-UHFFFAOYSA-N 1 0 341.411 2.610 20 10 EFCDRO Cc1cc(Br)cc(CN2CC[NH+](CC3CC3)CC2)c1O ZINC000775655154 1293913608 /nfs/dbraw/zinc/91/36/08/1293913608.db2.gz WDSUYBSPTPKFKI-UHFFFAOYSA-N 1 0 339.277 2.991 20 10 EFCDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(O)c(O)c3)CC[C@H]21 ZINC001203874962 1313038558 /nfs/dbraw/zinc/03/85/58/1313038558.db2.gz FVUHEXPGESSDBJ-ZIAGYGMSSA-N 1 0 334.416 2.539 20 10 EFCDRO O=C1N(c2ccsc2)CC[C@]12CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203877616 1313038952 /nfs/dbraw/zinc/03/89/52/1313038952.db2.gz UMSNCHFDJNSKBZ-SFHVURJKSA-N 1 0 344.436 2.788 20 10 EFCDRO Oc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)cc1O ZINC001203876360 1313038977 /nfs/dbraw/zinc/03/89/77/1313038977.db2.gz BEWOAQWAKUOXHU-GPMSIDNRSA-N 1 0 333.428 2.646 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(O)c(O)c3)CC[C@H]21 ZINC001203877741 1313039009 /nfs/dbraw/zinc/03/90/09/1313039009.db2.gz IIKKXTULHHVUHA-LSDHHAIUSA-N 1 0 348.443 2.929 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001203877928 1313039047 /nfs/dbraw/zinc/03/90/47/1313039047.db2.gz LKJXJSKVTCWAFI-UONOGXRCSA-N 1 0 334.416 2.682 20 10 EFCDRO COc1cc(O)c(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)cc1OC ZINC000775658657 1293939702 /nfs/dbraw/zinc/93/97/02/1293939702.db2.gz OGCMLYHADUFPNU-CQSZACIVSA-N 1 0 331.412 2.792 20 10 EFCDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1ccc(O)c(O)c1)[C@@H]2C ZINC001203877682 1313039160 /nfs/dbraw/zinc/03/91/60/1313039160.db2.gz VXMSVFVMOZQNCS-CQSZACIVSA-N 1 0 344.459 2.711 20 10 EFCDRO O=C1N[C@@H](c2ccccc2)C12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203879385 1313039982 /nfs/dbraw/zinc/03/99/82/1313039982.db2.gz OYWNLGJBFJDJJR-SFHVURJKSA-N 1 0 338.407 2.551 20 10 EFCDRO O=C(C1CC[NH+](Cc2ccc(O)c(O)c2)CC1)N1CCCCCC1 ZINC001203878406 1313040262 /nfs/dbraw/zinc/04/02/62/1313040262.db2.gz GGQCJVYULYKVTI-UHFFFAOYSA-N 1 0 332.444 2.712 20 10 EFCDRO O=C(NC1CC[NH+](Cc2ccc(O)c(O)c2)CC1)c1ccc(F)cc1 ZINC001203881515 1313040432 /nfs/dbraw/zinc/04/04/32/1313040432.db2.gz QDHOYWYAMWHWRS-UHFFFAOYSA-N 1 0 344.386 2.631 20 10 EFCDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@@H]21 ZINC001203883648 1313040584 /nfs/dbraw/zinc/04/05/84/1313040584.db2.gz LDXROIWQYJCUAU-SOUVJXGZSA-N 1 0 348.443 2.833 20 10 EFCDRO COc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(O)c(O)c3)C2)n1 ZINC001203883375 1313040595 /nfs/dbraw/zinc/04/05/95/1313040595.db2.gz JHODOONTEJBLRS-AWEZNQCLSA-N 1 0 330.384 2.545 20 10 EFCDRO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203883059 1313040755 /nfs/dbraw/zinc/04/07/55/1313040755.db2.gz CXWXZIJDWBESDD-SFHVURJKSA-N 1 0 336.432 2.835 20 10 EFCDRO O=C(NCc1ccccc1)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001202640689 1293964659 /nfs/dbraw/zinc/96/46/59/1293964659.db2.gz CTDCNSSKAUYXDR-UHFFFAOYSA-N 1 0 339.439 2.856 20 10 EFCDRO CN(C)c1ccc(C[NH+]2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)cc1 ZINC001203932151 1313049737 /nfs/dbraw/zinc/04/97/37/1313049737.db2.gz UCLCVQQWYYMDQI-RTBURBONSA-N 1 0 336.483 2.711 20 10 EFCDRO CN(C)c1ccc(C[NH+]2C[C@H]3CN(C(=O)c4ccccc4)C[C@@H]3C2)cc1 ZINC001203931026 1313049829 /nfs/dbraw/zinc/04/98/29/1313049829.db2.gz LFJNXVWKVFRFJF-PMACEKPBSA-N 1 0 349.478 2.957 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(C)(C(=O)N3CCCC3)CC2)cc1 ZINC001203933630 1313050546 /nfs/dbraw/zinc/05/05/46/1313050546.db2.gz CLYRRVPHLNEKGD-UHFFFAOYSA-N 1 0 329.488 2.977 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)cc1 ZINC001203932929 1313050607 /nfs/dbraw/zinc/05/06/07/1313050607.db2.gz DKIUOJQPIJNABV-OAQYLSRUSA-N 1 0 335.451 2.873 20 10 EFCDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(N(CC)CC)cc2)CC1 ZINC001203939019 1313051427 /nfs/dbraw/zinc/05/14/27/1313051427.db2.gz IVPWTPBRAMHVBF-GOSISDBHSA-N 1 0 346.471 2.877 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)cc1 ZINC001203937415 1313051565 /nfs/dbraw/zinc/05/15/65/1313051565.db2.gz QDJXAQMAELVOKR-QGZVFWFLSA-N 1 0 330.476 2.522 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccnc3)C2)cc1 ZINC001203937390 1313051815 /nfs/dbraw/zinc/05/18/15/1313051815.db2.gz PGXJSCKIHMLOFO-GOSISDBHSA-N 1 0 338.455 2.542 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CC2)N=C(C)N(C)C3=O)cc1 ZINC001203943417 1313052280 /nfs/dbraw/zinc/05/22/80/1313052280.db2.gz ASCZPUORCAXNMB-UHFFFAOYSA-N 1 0 342.487 2.758 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)cc1 ZINC001203946021 1313052625 /nfs/dbraw/zinc/05/26/25/1313052625.db2.gz RQTOKGQUSYAXSE-UHFFFAOYSA-N 1 0 329.488 2.977 20 10 EFCDRO C[NH+](C)CCOC1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775688399 1294145458 /nfs/dbraw/zinc/14/54/58/1294145458.db2.gz QRBUBJDYGSGZPE-UHFFFAOYSA-N 1 0 330.831 2.727 20 10 EFCDRO Cc1cccc(C[N@H+](C)CCN2CCN(c3ccccc3)CC2)c1O ZINC000775711676 1294213511 /nfs/dbraw/zinc/21/35/11/1294213511.db2.gz FJVFSMDNRDQOTE-UHFFFAOYSA-N 1 0 339.483 2.955 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(N(C)CC(F)F)CC2)cc1OC ZINC000775724129 1294273019 /nfs/dbraw/zinc/27/30/19/1294273019.db2.gz LKXRIHJCPSQVGB-UHFFFAOYSA-N 1 0 344.402 2.571 20 10 EFCDRO COc1cc(C[N@@H+]2CCc3cccc(O)c3C2)cc(OC)c1OC ZINC001203846462 1294282473 /nfs/dbraw/zinc/28/24/73/1294282473.db2.gz HUIPDZNXSJQRSI-UHFFFAOYSA-N 1 0 329.396 2.976 20 10 EFCDRO CC[NH+](CC)CCCNC(=S)NCc1ccc(N2CCCC2)cc1 ZINC001196697825 1294331847 /nfs/dbraw/zinc/33/18/47/1294331847.db2.gz TYFVCIVXSITMLM-UHFFFAOYSA-N 1 0 348.560 2.983 20 10 EFCDRO CC(C)[NH+]1CCC2(C[C@H]2NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001016991193 1313074819 /nfs/dbraw/zinc/07/48/19/1313074819.db2.gz ADZVQRKKBVMGIA-OAHLLOKOSA-N 1 0 343.431 2.842 20 10 EFCDRO CCC[NH+]1CCC2(C[C@H]2NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001016992061 1313076180 /nfs/dbraw/zinc/07/61/80/1313076180.db2.gz FSSJHWJDHWEOLK-OAHLLOKOSA-N 1 0 343.431 2.843 20 10 EFCDRO COCCOc1ccc(N2CC[NH+](Cc3ccc(O)cc3)CC2)cc1 ZINC001204096206 1313081065 /nfs/dbraw/zinc/08/10/65/1313081065.db2.gz JWFBWLBGMRRZEV-UHFFFAOYSA-N 1 0 342.439 2.740 20 10 EFCDRO COC(=O)c1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001204150098 1313090573 /nfs/dbraw/zinc/09/05/73/1313090573.db2.gz KYESWMFBRBNZQY-UHFFFAOYSA-N 1 0 327.380 2.833 20 10 EFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000886257895 1294791697 /nfs/dbraw/zinc/79/16/97/1294791697.db2.gz ONWZDIYZOONIQW-NUZGMZIFSA-N 1 0 340.467 2.687 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC3(CNC(=O)N3)CC2)c2ccccc21 ZINC001204239638 1313105973 /nfs/dbraw/zinc/10/59/73/1313105973.db2.gz AXOFARYWYQAFMS-UHFFFAOYSA-N 1 0 338.455 2.553 20 10 EFCDRO CNC(=O)NC1CC[NH+](Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204240161 1313106376 /nfs/dbraw/zinc/10/63/76/1313106376.db2.gz JSDANVRFMKHRNV-UHFFFAOYSA-N 1 0 340.471 2.799 20 10 EFCDRO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204240416 1313106586 /nfs/dbraw/zinc/10/65/86/1313106586.db2.gz RYYACSQKZXVLMI-QGZVFWFLSA-N 1 0 325.456 2.958 20 10 EFCDRO CN(C)c1ccc(CN2CC([N@H+](C)[C@H]3CCOC3)C2)c2ccccc21 ZINC001204241198 1313106801 /nfs/dbraw/zinc/10/68/01/1313106801.db2.gz ZXDOFKXVFWTOBZ-KRWDZBQOSA-N 1 0 339.483 2.811 20 10 EFCDRO Oc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001204273453 1313113230 /nfs/dbraw/zinc/11/32/30/1313113230.db2.gz PQHRLUKYIQZNHG-PKOBYXMFSA-N 1 0 333.428 2.648 20 10 EFCDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1ccc(O)cc1O)[C@H]2C ZINC001204273448 1313113242 /nfs/dbraw/zinc/11/32/42/1313113242.db2.gz BTGHHOLABWDANS-AWEZNQCLSA-N 1 0 344.459 2.711 20 10 EFCDRO CCOc1ccccc1N1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204273113 1313113592 /nfs/dbraw/zinc/11/35/92/1313113592.db2.gz YTNBPHAWYLTFBL-UHFFFAOYSA-N 1 0 328.412 2.819 20 10 EFCDRO Oc1ccc(C[NH+]2CCN(c3nccc4occc43)CC2)c(O)c1 ZINC001204279413 1313114876 /nfs/dbraw/zinc/11/48/76/1313114876.db2.gz YGVUXBRXVGBCBI-UHFFFAOYSA-N 1 0 325.368 2.561 20 10 EFCDRO O=C1c2ccccc2CN1C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204277640 1313115001 /nfs/dbraw/zinc/11/50/01/1313115001.db2.gz HRGYOYUUKDHLRU-UHFFFAOYSA-N 1 0 338.407 2.718 20 10 EFCDRO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204278246 1313115490 /nfs/dbraw/zinc/11/54/90/1313115490.db2.gz ZLEOYCAILGCYAO-SWLSCSKDSA-N 1 0 336.432 2.975 20 10 EFCDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@H]21 ZINC001204282712 1313115828 /nfs/dbraw/zinc/11/58/28/1313115828.db2.gz TZFDVEKIJOOPCH-APHBMKBZSA-N 1 0 348.443 2.833 20 10 EFCDRO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1ccc(O)cc1O)C2 ZINC001204279603 1313116154 /nfs/dbraw/zinc/11/61/54/1313116154.db2.gz CFBUOYHBQDDIEZ-CQSZACIVSA-N 1 0 329.396 2.887 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)NCc1cc(F)cc(F)c1)c1ccc(N(C)C)cc1 ZINC000775836227 1294970203 /nfs/dbraw/zinc/97/02/03/1294970203.db2.gz LLCZTRUGFZTZFX-CYBMUJFWSA-N 1 0 347.409 2.998 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)NCc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000775834307 1294979313 /nfs/dbraw/zinc/97/93/13/1294979313.db2.gz QTRDBWYETDJHJG-CQSZACIVSA-N 1 0 329.419 2.859 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)c1O ZINC001204336412 1313124709 /nfs/dbraw/zinc/12/47/09/1313124709.db2.gz NTIBDAQAXYTUTI-BONVTDFDSA-N 1 0 344.249 2.756 20 10 EFCDRO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1c([O-])cccc1F ZINC000886587663 1295035458 /nfs/dbraw/zinc/03/54/58/1295035458.db2.gz CKYSSJCNTBTWJR-WMLDXEAASA-N 1 0 344.430 2.949 20 10 EFCDRO CN(C)C(=O)[C@H]1CC12CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204321212 1313121998 /nfs/dbraw/zinc/12/19/98/1313121998.db2.gz AIODASQFPMRDQL-LJQANCHMSA-N 1 0 341.499 2.977 20 10 EFCDRO COC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204321266 1313122232 /nfs/dbraw/zinc/12/22/32/1313122232.db2.gz BBCGEDMHTRDVEA-SFHVURJKSA-N 1 0 340.471 2.762 20 10 EFCDRO CCN1CC[C@@]2(C[N@H+](Cc3ccc(N4CCCC4)cc3)C[C@@H]2C)C1=O ZINC001204328643 1313123275 /nfs/dbraw/zinc/12/32/75/1313123275.db2.gz YQYPDAQVZCYVRC-UWJYYQICSA-N 1 0 341.499 2.977 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)c1O ZINC001204336411 1313124982 /nfs/dbraw/zinc/12/49/82/1313124982.db2.gz NTIBDAQAXYTUTI-BMIGLBTASA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(CN2CCCC[C@H]2CC[NH+]2CCCC2)cc(O)c1O ZINC001204342007 1313125563 /nfs/dbraw/zinc/12/55/63/1313125563.db2.gz IOYGBXLJRZTSME-INIZCTEOSA-N 1 0 334.460 2.947 20 10 EFCDRO COc1cc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc(O)c1O ZINC001204341412 1313125610 /nfs/dbraw/zinc/12/56/10/1313125610.db2.gz BTUSWPVXZBPPNH-MRXNPFEDSA-N 1 0 328.412 2.595 20 10 EFCDRO COc1cc(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)cc(O)c1O ZINC001204340110 1313125691 /nfs/dbraw/zinc/12/56/91/1313125691.db2.gz CWAYQMRXECXSTQ-UHFFFAOYSA-N 1 0 343.423 2.898 20 10 EFCDRO C[C@H]([NH2+][C@@H](CO)C[C@@H]1CCCO1)c1cc(Br)ccc1O ZINC000886669886 1295097073 /nfs/dbraw/zinc/09/70/73/1295097073.db2.gz GHTAEZFWYHVTCK-UHTWSYAYSA-N 1 0 344.249 2.735 20 10 EFCDRO C[C@H]([NH2+][C@@H](CO)C[C@H]1CCCO1)c1ccc(Br)cc1O ZINC000886670397 1295100199 /nfs/dbraw/zinc/10/01/99/1295100199.db2.gz OCNYWKBPOCIAFA-CYZMBNFOSA-N 1 0 344.249 2.735 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)no3)C2)cc(O)c1O ZINC001204346800 1313127373 /nfs/dbraw/zinc/12/73/73/1313127373.db2.gz ZKYKIWZFGDQUDR-CYBMUJFWSA-N 1 0 347.415 2.992 20 10 EFCDRO Oc1ccccc1C[NH+]1CCC(NC(=S)NC2CCCC2)CC1 ZINC001198577144 1295119556 /nfs/dbraw/zinc/11/95/56/1295119556.db2.gz GNDGIWSCEVTTMU-UHFFFAOYSA-N 1 0 333.501 2.763 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@H]1C[C@@H]1C ZINC000886751542 1295133393 /nfs/dbraw/zinc/13/33/93/1295133393.db2.gz TZTQRSJCBAIMIA-JVPBZIDWSA-N 1 0 329.488 2.913 20 10 EFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]3C3CC3)cc2)CC1 ZINC000886749393 1295133888 /nfs/dbraw/zinc/13/38/88/1295133888.db2.gz RMTZUOBARXYZPW-RBUKOAKNSA-N 1 0 327.472 2.667 20 10 EFCDRO COc1ccc2ccc(O)c(C[NH+]3CCC4(C[C@@H](O)CO4)CC3)c2c1 ZINC001234526039 1313145711 /nfs/dbraw/zinc/14/57/11/1313145711.db2.gz PFXJBCZMVVEJRH-OAHLLOKOSA-N 1 0 343.423 2.670 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@@]23CCN(CC(F)F)C3=O)c1O ZINC001274100029 1295451557 /nfs/dbraw/zinc/45/15/57/1295451557.db2.gz STKAXNYKKUJMOR-KRWDZBQOSA-N 1 0 342.361 2.672 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)c1O ZINC001274099281 1295453944 /nfs/dbraw/zinc/45/39/44/1295453944.db2.gz CERQJDYJQHQWFX-ZIAGYGMSSA-N 1 0 342.361 2.670 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC(=O)NC4(CCCC4)C3)c2c1 ZINC001234569909 1313160750 /nfs/dbraw/zinc/16/07/50/1313160750.db2.gz UHBFUMODDHGGRS-UHFFFAOYSA-N 1 0 340.423 2.799 20 10 EFCDRO COc1cc(Br)cc(CN2CC[N@H+](C)[C@H](C)[C@@H]2C)c1O ZINC000775987824 1295588540 /nfs/dbraw/zinc/58/85/40/1295588540.db2.gz WKWMKZRNTSUNMA-MNOVXSKESA-N 1 0 343.265 2.688 20 10 EFCDRO COCCCCC(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001199674692 1295667981 /nfs/dbraw/zinc/66/79/81/1295667981.db2.gz JWXJMEADVLCNCY-UHFFFAOYSA-N 1 0 348.487 2.901 20 10 EFCDRO CC[NH+]1CCN(c2ccc(O[C@H]3C[C@@H](C(=O)OC)C3(C)C)cc2)CC1 ZINC001234660306 1313179546 /nfs/dbraw/zinc/17/95/46/1313179546.db2.gz GMMUZDNJCZANCM-ROUUACIJSA-N 1 0 346.471 2.795 20 10 EFCDRO C[C@H]1[C@@H](C)N(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC000889661017 1295793387 /nfs/dbraw/zinc/79/33/87/1295793387.db2.gz OQCPGLMVMPHCEP-BRWVUGGUSA-N 1 0 344.503 2.624 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3C3CC3)cc2)CC1 ZINC000889670061 1295796475 /nfs/dbraw/zinc/79/64/75/1295796475.db2.gz XOCVHAYNKPOLIX-LJQANCHMSA-N 1 0 342.487 2.522 20 10 EFCDRO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(C)cccc1O ZINC001274301830 1296056326 /nfs/dbraw/zinc/05/63/26/1296056326.db2.gz SPDWVTCBKOHHIZ-MGPUTAFESA-N 1 0 344.455 2.635 20 10 EFCDRO CN(C1C[NH+](Cc2cccc(-c3ccccc3)c2O)C1)[C@H]1CCOC1 ZINC001234997153 1313219144 /nfs/dbraw/zinc/21/91/44/1313219144.db2.gz UXCGQRPGXUEOFJ-SFHVURJKSA-N 1 0 338.451 2.964 20 10 EFCDRO O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](Cc1cccc(-c3ccccc3)c1O)C2 ZINC001234996673 1313218846 /nfs/dbraw/zinc/21/88/46/1313218846.db2.gz LWOWHEXJCGHPFZ-UHFFFAOYSA-N 1 0 349.390 2.819 20 10 EFCDRO CCCCN1C[C@@]2(CC[N@H+](Cc3ccc(CC)cc3O)C2)OCC1=O ZINC001274652663 1296130449 /nfs/dbraw/zinc/13/04/49/1296130449.db2.gz BZVQMSDMQGGCHV-FQEVSTJZSA-N 1 0 346.471 2.558 20 10 EFCDRO CNC(=O)N1CC[NH+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234997961 1313220088 /nfs/dbraw/zinc/22/00/88/1313220088.db2.gz GICRSSUQDSRKSI-UHFFFAOYSA-N 1 0 325.412 2.516 20 10 EFCDRO Oc1ccc(Cl)c(Cl)c1CN1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235023234 1313226421 /nfs/dbraw/zinc/22/64/21/1313226421.db2.gz SZVVUTCCCCTLHR-MRXNPFEDSA-N 1 0 345.270 2.901 20 10 EFCDRO C[NH2+]C[C@@H]1CCCN(Cc2c(O)cc(OC)cc2Br)C1 ZINC001205018667 1313222425 /nfs/dbraw/zinc/22/24/25/1313222425.db2.gz XRWNPYZGRDCSCL-NSHDSACASA-N 1 0 343.265 2.595 20 10 EFCDRO C[NH2+]C[C@H]1CCCN(Cc2c(O)cc(OC)cc2Br)C1 ZINC001205018666 1313222621 /nfs/dbraw/zinc/22/26/21/1313222621.db2.gz XRWNPYZGRDCSCL-LLVKDONJSA-N 1 0 343.265 2.595 20 10 EFCDRO CC(C)(C)c1cccc(CN2CCOC[C@]3(CCC[NH2+]C3)C2)c1O ZINC001235009140 1313223655 /nfs/dbraw/zinc/22/36/55/1313223655.db2.gz SYFUULJYSMICNH-FQEVSTJZSA-N 1 0 332.488 2.892 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC001275408698 1296271203 /nfs/dbraw/zinc/27/12/03/1296271203.db2.gz PTNPZWGDAIAIPV-MAUKXSAKSA-N 1 0 339.439 2.576 20 10 EFCDRO CCOC(=O)c1c(CN2CCCCC23C[NH2+]C3)c2ccccc2n1C ZINC001235103318 1313242220 /nfs/dbraw/zinc/24/22/20/1313242220.db2.gz WXYFGJNUUJTSAE-UHFFFAOYSA-N 1 0 341.455 2.683 20 10 EFCDRO Cc1cc(O)c(CN2CCC[C@@]23CC[NH2+]C3)cc1Br ZINC001235116719 1313245250 /nfs/dbraw/zinc/24/52/50/1313245250.db2.gz YQLUQDWQARTGFF-HNNXBMFYSA-N 1 0 325.250 2.791 20 10 EFCDRO CCOC(=O)c1c(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c2ccccc2n1C ZINC001235265651 1313278945 /nfs/dbraw/zinc/27/89/45/1313278945.db2.gz CWSRXYWJAOGYFK-PBHICJAKSA-N 1 0 341.455 2.539 20 10 EFCDRO CCOC(=O)c1c(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c2ccccc2n1C ZINC001235265653 1313279124 /nfs/dbraw/zinc/27/91/24/1313279124.db2.gz CWSRXYWJAOGYFK-WMLDXEAASA-N 1 0 341.455 2.539 20 10 EFCDRO CN(C)c1cc[nH+]c(CNC(=O)NCc2cc(Cl)ccc2O)c1 ZINC000924676466 1296781105 /nfs/dbraw/zinc/78/11/05/1296781105.db2.gz SJLUFRAJLOYVEQ-UHFFFAOYSA-N 1 0 334.807 2.506 20 10 EFCDRO C[N@@H+](Cc1cc(Cl)c(C(C)(C)C)cc1O)C[C@H]1CNCCO1 ZINC001205537164 1313308069 /nfs/dbraw/zinc/30/80/69/1313308069.db2.gz DPMPBMUJOFHORR-CYBMUJFWSA-N 1 0 326.868 2.763 20 10 EFCDRO CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001017267241 1313311734 /nfs/dbraw/zinc/31/17/34/1313311734.db2.gz PSJVEQBDXLEADE-ZDUSSCGKSA-N 1 0 331.420 2.653 20 10 EFCDRO C[C@H]1NCCC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000925574259 1296857567 /nfs/dbraw/zinc/85/75/67/1296857567.db2.gz CVRJQXXISLEWDQ-CXAGYDPISA-N 1 0 339.430 2.987 20 10 EFCDRO [NH3+]C[C@@]1(F)CCC[N@H+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001205591307 1313319365 /nfs/dbraw/zinc/31/93/65/1313319365.db2.gz KEZPSUOTTHROIU-CQSZACIVSA-N 1 0 336.329 2.944 20 10 EFCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205618111 1313324242 /nfs/dbraw/zinc/32/42/42/1313324242.db2.gz RNXDDSBDMNORDQ-JSGCOSHPSA-N 1 0 330.428 2.614 20 10 EFCDRO COCC1(C(=O)N2CCC([NH2+]Cc3ccc(OC)c(C)c3)CC2)CC1 ZINC001201625032 1296975573 /nfs/dbraw/zinc/97/55/73/1296975573.db2.gz PBLZDKFOSQFSLN-UHFFFAOYSA-N 1 0 346.471 2.511 20 10 EFCDRO Cc1cc(Br)cc(CN2CC[NH2+][C@H](C(C)C)C2)c1O ZINC001235475170 1313332103 /nfs/dbraw/zinc/33/21/03/1313332103.db2.gz NVXVEJLSRYTXJD-AWEZNQCLSA-N 1 0 327.266 2.893 20 10 EFCDRO [NH3+]C[C@@H]1CN(Cc2c(O)cccc2Br)CCC1(F)F ZINC001205771770 1313352942 /nfs/dbraw/zinc/35/29/42/1313352942.db2.gz VRZICBAOEJWAAR-SECBINFHSA-N 1 0 335.192 2.571 20 10 EFCDRO C[C@H](NC(=O)N1CC[NH+](C2CCC2)CC1)c1ccc(N(C)C)cc1 ZINC000776244163 1297241936 /nfs/dbraw/zinc/24/19/36/1297241936.db2.gz HCEHQIZYAPVYAW-HNNXBMFYSA-N 1 0 330.476 2.693 20 10 EFCDRO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000776242742 1297242150 /nfs/dbraw/zinc/24/21/50/1297242150.db2.gz AGHUVXPHGARHJG-CRAIPNDOSA-N 1 0 330.476 2.693 20 10 EFCDRO C[C@@H](NC(=O)N1CC[NH+](C2CCC2)CC1)c1ccc(N(C)C)cc1 ZINC000776244165 1297243473 /nfs/dbraw/zinc/24/34/73/1297243473.db2.gz HCEHQIZYAPVYAW-OAHLLOKOSA-N 1 0 330.476 2.693 20 10 EFCDRO COC(=O)c1c(CN2C[C@H](C)CC[C@@H]2C[NH3+])c2ccccc2n1C ZINC001205838523 1313363795 /nfs/dbraw/zinc/36/37/95/1313363795.db2.gz CKYNOYZXOCZPED-ZIAGYGMSSA-N 1 0 329.444 2.524 20 10 EFCDRO COc1cc(O)c(CN2C[C@@H](C)CC[C@H]2C[NH3+])cc1Br ZINC001205838091 1313363912 /nfs/dbraw/zinc/36/39/12/1313363912.db2.gz AOYREVXRZAQFJH-JQWIXIFHSA-N 1 0 343.265 2.723 20 10 EFCDRO COc1cc(O)c(CN2C[C@@H](C)CC[C@@H]2C[NH3+])cc1Br ZINC001205838090 1313364268 /nfs/dbraw/zinc/36/42/68/1313364268.db2.gz AOYREVXRZAQFJH-CMPLNLGQSA-N 1 0 343.265 2.723 20 10 EFCDRO CC(C)(C)c1ccc(C[N@@H+]2CCOC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001235676049 1313372198 /nfs/dbraw/zinc/37/21/98/1313372198.db2.gz OLQREIZOOCNYAC-INIZCTEOSA-N 1 0 347.377 2.815 20 10 EFCDRO C[C@@H]1CN(C2C[NH+](Cc3ccc(C(C)(C)C)cc3O)C2)C[C@@H](C)O1 ZINC001235678475 1313373689 /nfs/dbraw/zinc/37/36/89/1313373689.db2.gz BQQKVZWFZSDWOV-HUUCEWRRSA-N 1 0 332.488 2.983 20 10 EFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001235690891 1313376393 /nfs/dbraw/zinc/37/63/93/1313376393.db2.gz DWNFIHJQZUYJGZ-HXUWFJFHSA-N 1 0 339.483 2.525 20 10 EFCDRO COc1cc(C)c(CN2CC[NH2+]C[C@@H]2c2ccccc2F)c(O)c1 ZINC001235754657 1313388293 /nfs/dbraw/zinc/38/82/93/1313388293.db2.gz WOYNRQOMLMSTMH-GOSISDBHSA-N 1 0 330.403 2.995 20 10 EFCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206003469 1313389849 /nfs/dbraw/zinc/38/98/49/1313389849.db2.gz IHHGBRPYYZWMQB-ZIAGYGMSSA-N 1 0 330.428 2.614 20 10 EFCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206003467 1313390080 /nfs/dbraw/zinc/39/00/80/1313390080.db2.gz IHHGBRPYYZWMQB-KGLIPLIRSA-N 1 0 330.428 2.614 20 10 EFCDRO COCCCN(Cc1cc(Cl)cc(OC)c1O)[C@H]1CCC[NH2+]C1 ZINC001235806213 1313400529 /nfs/dbraw/zinc/40/05/29/1313400529.db2.gz MFYQEYRKAKLMHU-HNNXBMFYSA-N 1 0 342.867 2.645 20 10 EFCDRO CC[C@@H]1C(=O)NCCN1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000106855672 1297583844 /nfs/dbraw/zinc/58/38/44/1297583844.db2.gz IBMSCYZFDMDAQI-CQSZACIVSA-N 1 0 328.412 2.728 20 10 EFCDRO COc1ccc2c(c1)c1c(n2C)CCN(CC2(F)CC[NH2+]CC2)C1 ZINC001235839889 1313407504 /nfs/dbraw/zinc/40/75/04/1313407504.db2.gz ZEUUPHSNCHXQCG-UHFFFAOYSA-N 1 0 331.435 2.637 20 10 EFCDRO CCN(CC)c1ccc(CN2C[C@@H]([NH3+])CC(F)(F)C2)c(OC)c1 ZINC001206124034 1313407852 /nfs/dbraw/zinc/40/78/52/1313407852.db2.gz GKGPNRRTXGNPEC-AWEZNQCLSA-N 1 0 327.419 2.710 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCNC[C@@H]2Cc2ccccc2)c(O)c1 ZINC001235855548 1313410623 /nfs/dbraw/zinc/41/06/23/1313410623.db2.gz QQDYVZNECVOZLZ-KRWDZBQOSA-N 1 0 326.440 2.726 20 10 EFCDRO CC[NH+](CC)CCCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000043003929 1297704190 /nfs/dbraw/zinc/70/41/90/1297704190.db2.gz HSOSAAINQKSACS-UHFFFAOYSA-N 1 0 332.492 2.818 20 10 EFCDRO CC(C)(C)c1cc(O)c(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1Cl ZINC001236001881 1313429651 /nfs/dbraw/zinc/42/96/51/1313429651.db2.gz NDIZHICKJBNZPC-MPYYAJLASA-N 1 0 338.879 2.749 20 10 EFCDRO [NH3+][C@@]12CC[C@@H]1CN(Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC001235998169 1313429740 /nfs/dbraw/zinc/42/97/40/1313429740.db2.gz XOGJKHAWSGZMDU-NOZJJQNGSA-N 1 0 331.641 2.731 20 10 EFCDRO CC[N@H+](Cc1cccc(CN2CC[NH2+]CC2)c1)Cc1ccccc1O ZINC001236043917 1313433601 /nfs/dbraw/zinc/43/36/01/1313433601.db2.gz GEOUEGAGEDYVIE-UHFFFAOYSA-N 1 0 339.483 2.820 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)c2ccccc2n1C ZINC001236061088 1313435990 /nfs/dbraw/zinc/43/59/90/1313435990.db2.gz XNHUOTNJNVOMDF-GJZGRUSLSA-N 1 0 341.455 2.539 20 10 EFCDRO CN1CCOc2cc(CN3CC[NH2+]C[C@@H]3c3cccs3)ccc21 ZINC001236117216 1313442738 /nfs/dbraw/zinc/44/27/38/1313442738.db2.gz TWFZSCHWINHHLY-MRXNPFEDSA-N 1 0 329.469 2.723 20 10 EFCDRO [NH3+]C[C@]1(F)CCCCN(Cc2cc(O)c(Br)cc2O)C1 ZINC001206369593 1313443111 /nfs/dbraw/zinc/44/31/11/1313443111.db2.gz GBYBVJOIKKNCOX-CQSZACIVSA-N 1 0 347.228 2.513 20 10 EFCDRO CN1CCOc2cc(CN3CC[NH2+]C[C@@H]3c3ccc(F)cc3)ccc21 ZINC001236126275 1313444204 /nfs/dbraw/zinc/44/42/04/1313444204.db2.gz UDYXXFIDSMSYES-LJQANCHMSA-N 1 0 341.430 2.801 20 10 EFCDRO CCC[C@H]1CN(Cc2ccc(OCC(F)(F)F)cc2O)CC[NH2+]1 ZINC001236177503 1313451899 /nfs/dbraw/zinc/45/18/99/1313451899.db2.gz BGKQGKVTZDHUOG-ZDUSSCGKSA-N 1 0 332.366 2.907 20 10 EFCDRO [NH3+][C@@H]1C[C@@H](F)CN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001206435079 1313453158 /nfs/dbraw/zinc/45/31/58/1313453158.db2.gz JPSOPAFLBLMRAK-IAGOWNOFSA-N 1 0 330.403 2.842 20 10 EFCDRO CN(Cc1ccc(N2CCOCC2)c(Cl)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219765 1313457201 /nfs/dbraw/zinc/45/72/01/1313457201.db2.gz XQKBIOQETJRGFT-WMZOPIPTSA-N 1 0 337.895 2.878 20 10 EFCDRO [O-]c1cc(F)c(Br)cc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320702 1313468978 /nfs/dbraw/zinc/46/89/78/1313468978.db2.gz BIUSUYMEAGASLU-PHIMTYICSA-N 1 0 343.240 2.725 20 10 EFCDRO COCCN(Cc1c(O)ccc(Cl)c1Cl)[C@H]1CCC[NH2+]C1 ZINC001236326914 1313469836 /nfs/dbraw/zinc/46/98/36/1313469836.db2.gz CSDXNMKIZYDVNJ-NSHDSACASA-N 1 0 333.259 2.899 20 10 EFCDRO COCCN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC001236326505 1313470038 /nfs/dbraw/zinc/47/00/38/1313470038.db2.gz AZKQLIKOQYYJMJ-FQEVSTJZSA-N 1 0 331.504 2.877 20 10 EFCDRO Oc1ccc(CN(Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)cc1O ZINC001236388177 1313475214 /nfs/dbraw/zinc/47/52/14/1313475214.db2.gz KEGVDAYCYJUBQX-QGZVFWFLSA-N 1 0 330.403 2.991 20 10 EFCDRO CCOc1ccc(N2CCN(C[C@H]([NH3+])Cc3ccccc3)CC2)cc1 ZINC001236432787 1313480333 /nfs/dbraw/zinc/48/03/33/1313480333.db2.gz FJFPTHBYRQEEAT-LJQANCHMSA-N 1 0 339.483 2.777 20 10 EFCDRO COC(=O)c1c(CN(C(C)C)[C@@H]2CCC[NH2+]C2)c2ccccc2n1C ZINC001236470793 1313485133 /nfs/dbraw/zinc/48/51/33/1313485133.db2.gz PWCRQNDPOSPIRT-OAHLLOKOSA-N 1 0 343.471 2.927 20 10 EFCDRO CC(C)N(Cc1cc(F)cc(Br)c1[O-])[C@H]1CC[NH2+]C1 ZINC001236531242 1313489115 /nfs/dbraw/zinc/48/91/15/1313489115.db2.gz WSSCUNYARJUQAG-LBPRGKRZSA-N 1 0 331.229 2.866 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)c1 ZINC001236668656 1313506423 /nfs/dbraw/zinc/50/64/23/1313506423.db2.gz DJCZDRKOQYXPCO-IUODEOHRSA-N 1 0 339.277 2.989 20 10 EFCDRO COc1cc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c(O)cc1Br ZINC001236744671 1313520299 /nfs/dbraw/zinc/52/02/99/1313520299.db2.gz AQQCBEGHGLWUFP-KOLCDFICSA-N 1 0 330.222 2.509 20 10 EFCDRO Oc1cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c(O)cc1Br ZINC001236766446 1313524814 /nfs/dbraw/zinc/52/48/14/1313524814.db2.gz HBCUTHADISGZRX-HNNXBMFYSA-N 1 0 342.233 2.863 20 10 EFCDRO COc1cc(C[NH+]2CCC3(COC3)CC2)c(O)cc1Br ZINC001236745091 1313520795 /nfs/dbraw/zinc/52/07/95/1313520795.db2.gz MVLJEYRUTBGIAY-UHFFFAOYSA-N 1 0 342.233 2.776 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@](C)(O)CC2)c(O)cc1Br ZINC001236745881 1313520899 /nfs/dbraw/zinc/52/08/99/1313520899.db2.gz TUAMNWZENWCZMJ-HNNXBMFYSA-N 1 0 344.249 2.900 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@]3(CCCO3)C2)c(O)cc1Br ZINC001236744714 1313521185 /nfs/dbraw/zinc/52/11/85/1313521185.db2.gz BXSWMRRUWLERSS-HNNXBMFYSA-N 1 0 342.233 2.918 20 10 EFCDRO COc1cc(C[N@@H+]2CCCC[C@](C)(O)C2)c(O)cc1Br ZINC001236749021 1313521657 /nfs/dbraw/zinc/52/16/57/1313521657.db2.gz XVIJSMWXLYQHJU-HNNXBMFYSA-N 1 0 344.249 2.900 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)cc1OC ZINC001236751812 1313522210 /nfs/dbraw/zinc/52/22/10/1313522210.db2.gz YYXXFCCLGAZFSU-BMIGLBTASA-N 1 0 349.349 2.545 20 10 EFCDRO COc1cc(C[NH+]2CC([C@@H](C)OC)C2)c(O)cc1Br ZINC001236752017 1313522363 /nfs/dbraw/zinc/52/23/63/1313522363.db2.gz SGADHHODKFPQCB-SECBINFHSA-N 1 0 330.222 2.630 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@](C)(O)C2)c(O)cc1Br ZINC001236753548 1313522419 /nfs/dbraw/zinc/52/24/19/1313522419.db2.gz PUMIWZQYADPISC-AWEZNQCLSA-N 1 0 330.222 2.510 20 10 EFCDRO CCc1noc([C@@H]2CCC[N@H+](Cc3cc(OC)c(OC)cc3O)C2)n1 ZINC001236751392 1313522500 /nfs/dbraw/zinc/52/25/00/1313522500.db2.gz BOEHIJLGMSHKPV-GFCCVEGCSA-N 1 0 347.415 2.734 20 10 EFCDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000305754160 1298549694 /nfs/dbraw/zinc/54/96/94/1298549694.db2.gz VVFSMBXWVHPXQD-RDTXWAMCSA-N 1 0 348.418 2.857 20 10 EFCDRO COc1cc(O)c(CN2CC[NH+](CC3CCCC3)CC2)cc1OC ZINC001236756718 1313522838 /nfs/dbraw/zinc/52/28/38/1313522838.db2.gz QANRNIJLYWPDJE-UHFFFAOYSA-N 1 0 334.460 2.717 20 10 EFCDRO COc1cc(O)c(CN2CCCC[C@H]2C[NH+]2CCCC2)cc1OC ZINC001236756740 1313523064 /nfs/dbraw/zinc/52/30/64/1313523064.db2.gz RPVSYZYJMGXQHI-INIZCTEOSA-N 1 0 334.460 2.860 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)cc1OC ZINC001236757092 1313523450 /nfs/dbraw/zinc/52/34/50/1313523450.db2.gz YUSLUCJEYWFBHS-QGZVFWFLSA-N 1 0 342.439 2.898 20 10 EFCDRO C[C@@]1(CO)CCC[N@H+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001236766480 1313524512 /nfs/dbraw/zinc/52/45/12/1313524512.db2.gz HIEWQYQARAZWRR-OAHLLOKOSA-N 1 0 344.249 2.845 20 10 EFCDRO Oc1cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c(O)cc1Br ZINC001236763546 1313524517 /nfs/dbraw/zinc/52/45/17/1313524517.db2.gz AWUSCNJMCXQULH-MEBBXXQBSA-N 1 0 342.233 2.861 20 10 EFCDRO CC[N@@H+]1CCN(Cc2cc(O)c(Br)cc2O)C(C)(C)C1 ZINC001236765594 1313524696 /nfs/dbraw/zinc/52/46/96/1313524696.db2.gz PUIAYTRUMRUBBV-UHFFFAOYSA-N 1 0 343.265 2.776 20 10 EFCDRO Cc1cc(Br)cc(C[NH2+]C[C@H](O)c2ccco2)c1O ZINC000305759814 1298573572 /nfs/dbraw/zinc/57/35/72/1298573572.db2.gz BVIWEBOGBOYECY-LBPRGKRZSA-N 1 0 326.190 2.879 20 10 EFCDRO CC1(C)C[N@H+](Cc2cc(O)c(Br)cc2O)[C@](C)(CO)C1 ZINC001236766976 1313524723 /nfs/dbraw/zinc/52/47/23/1313524723.db2.gz KDMNTROVTQXERV-HNNXBMFYSA-N 1 0 344.249 2.843 20 10 EFCDRO CC[N@H+](CCCC(=O)OC)Cc1cc(O)c(Br)cc1O ZINC001236763694 1313524732 /nfs/dbraw/zinc/52/47/32/1313524732.db2.gz BRCZIZWTBMUJEM-UHFFFAOYSA-N 1 0 346.221 2.635 20 10 EFCDRO C[C@]1(O)CCC[N@H+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001236768928 1313525066 /nfs/dbraw/zinc/52/50/66/1313525066.db2.gz SGTXRDMFUQTZNC-AWEZNQCLSA-N 1 0 330.222 2.597 20 10 EFCDRO C[N@@H+](Cc1cc(O)c(Br)cc1O)C[C@@H]1CCCCO1 ZINC001236774619 1313526434 /nfs/dbraw/zinc/52/64/34/1313526434.db2.gz FYCTZYDZXUUNGW-NSHDSACASA-N 1 0 330.222 2.861 20 10 EFCDRO C[N@H+](CCc1ccncc1)Cc1cc(O)c(Br)cc1O ZINC001236775286 1313526463 /nfs/dbraw/zinc/52/64/63/1313526463.db2.gz MIZGGBOHXFKAQQ-UHFFFAOYSA-N 1 0 337.217 2.930 20 10 EFCDRO CC1(C)CN(Cc2cc(O)c(Br)cc2O)CCCO1 ZINC001236775653 1313526537 /nfs/dbraw/zinc/52/65/37/1313526537.db2.gz OVFQAFDTJFEFJL-UHFFFAOYSA-N 1 0 330.222 2.861 20 10 EFCDRO CCc1ccc(C[N@@H+]2CCN(Cc3ccccc3)[C@H](CO)C2)c(O)c1 ZINC001236782692 1313527649 /nfs/dbraw/zinc/52/76/49/1313527649.db2.gz DCVMYHMERSQRMF-FQEVSTJZSA-N 1 0 340.467 2.633 20 10 EFCDRO COC[C@H]1COCCN1Cc1cc(OCc2ccccc2)ccc1O ZINC001236783814 1313528022 /nfs/dbraw/zinc/52/80/22/1313528022.db2.gz VUSKJZNMHBROCD-SFHVURJKSA-N 1 0 343.423 2.818 20 10 EFCDRO CC(=O)[C@H]1CN(Cc2cc(OCc3ccccc3)ccc2O)CCO1 ZINC001236783485 1313528064 /nfs/dbraw/zinc/52/80/64/1313528064.db2.gz SKZGESBWPVVOEN-HXUWFJFHSA-N 1 0 341.407 2.761 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)Cc2cnn(C)c21 ZINC001236807974 1313533549 /nfs/dbraw/zinc/53/35/49/1313533549.db2.gz ITWVXUNIVNMGMO-OAHLLOKOSA-N 1 0 345.443 2.579 20 10 EFCDRO CCc1ccc(C[N@@H+]2CCC[C@@H](Oc3nccc(OC)n3)C2)c(O)c1 ZINC001236789334 1313528954 /nfs/dbraw/zinc/52/89/54/1313528954.db2.gz VJJBOKCUFQEHLQ-MRXNPFEDSA-N 1 0 343.427 2.797 20 10 EFCDRO CCc1ccc(C[NH+]2CCC(NC(=O)c3ccccn3)CC2)c(O)c1 ZINC001236789595 1313529342 /nfs/dbraw/zinc/52/93/42/1313529342.db2.gz ZQJBKTLICBLATJ-UHFFFAOYSA-N 1 0 339.439 2.744 20 10 EFCDRO CCc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccncc3)C2)c(O)c1 ZINC001236787725 1313529424 /nfs/dbraw/zinc/52/94/24/1313529424.db2.gz KMYSWQDFTQQFSE-GOSISDBHSA-N 1 0 339.439 2.744 20 10 EFCDRO CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc(CC)cc2O)C1 ZINC001236787772 1313529471 /nfs/dbraw/zinc/52/94/71/1313529471.db2.gz OEJPKYZEVTWEIU-INIZCTEOSA-N 1 0 329.444 2.820 20 10 EFCDRO CN(C)C(=O)CC[N@H+](C)Cc1cc(OCc2ccccc2)ccc1O ZINC001236789897 1313529691 /nfs/dbraw/zinc/52/96/91/1313529691.db2.gz SFRFTQFECVTRLL-UHFFFAOYSA-N 1 0 342.439 2.881 20 10 EFCDRO COC[C@]12COC[C@H]1C[N@H+](Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001236793660 1313529816 /nfs/dbraw/zinc/52/98/16/1313529816.db2.gz OSNUJQODSOZXFX-IAQYHMDHSA-N 1 0 332.227 2.794 20 10 EFCDRO CC[N@H+](CCN1CCOCC1)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236795281 1313529844 /nfs/dbraw/zinc/52/98/44/1313529844.db2.gz BPEAZOOSOGNZHV-UHFFFAOYSA-N 1 0 333.259 2.853 20 10 EFCDRO COCCN(Cc1c(O)cc(OC)cc1Cl)C1CC[NH+](C)CC1 ZINC001236798564 1313531230 /nfs/dbraw/zinc/53/12/30/1313531230.db2.gz GMQJHSHMMZFBHA-UHFFFAOYSA-N 1 0 342.867 2.597 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC3(CCCNC3=O)CC2)c(Cl)c1 ZINC001236800792 1313531259 /nfs/dbraw/zinc/53/12/59/1313531259.db2.gz BGODFRQVXFUFDJ-UHFFFAOYSA-N 1 0 338.835 2.546 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)c(Cl)c1 ZINC001236808012 1313532739 /nfs/dbraw/zinc/53/27/39/1313532739.db2.gz MIHUHNBNNGBBCL-AOOOYVTPSA-N 1 0 333.762 2.768 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)c(O)c1 ZINC001236808033 1313532795 /nfs/dbraw/zinc/53/27/95/1313532795.db2.gz KQNHTZGZBZLPFC-XHDPSFHLSA-N 1 0 333.350 2.844 20 10 EFCDRO CCC(=O)N(C)C1CC[NH+](Cc2c(O)cc(OC)cc2Cl)CC1 ZINC001236806412 1313533022 /nfs/dbraw/zinc/53/30/22/1313533022.db2.gz VXJDVXGBQUKDHD-UHFFFAOYSA-N 1 0 340.851 2.887 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ncncc3C)C2)c([O-])c1Cl ZINC001236809754 1313534098 /nfs/dbraw/zinc/53/40/98/1313534098.db2.gz OEAKLRBELGLTTM-CYBMUJFWSA-N 1 0 349.818 2.806 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001236808290 1313534116 /nfs/dbraw/zinc/53/41/16/1313534116.db2.gz ORCSPFLSPCVZBU-KBPBESRZSA-N 1 0 348.443 2.903 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(N3CCCC3=O)CC2)c(Cl)c1 ZINC001236809638 1313534403 /nfs/dbraw/zinc/53/44/03/1313534403.db2.gz XAGSHHPSMNQQNA-UHFFFAOYSA-N 1 0 338.835 2.641 20 10 EFCDRO COC[C@H]1COCCC12CC[NH+](Cc1c(C)cc(OC)cc1O)CC2 ZINC001236812154 1313534901 /nfs/dbraw/zinc/53/49/01/1313534901.db2.gz WUWOQUWGRDKTOE-INIZCTEOSA-N 1 0 349.471 2.974 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)c(O)c1 ZINC001236811695 1313535428 /nfs/dbraw/zinc/53/54/28/1313535428.db2.gz RONFUYKCFSMNNB-YJBOKZPZSA-N 1 0 346.471 2.788 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c(O)c1 ZINC001236814045 1313535789 /nfs/dbraw/zinc/53/57/89/1313535789.db2.gz OICYKURZWCTDJQ-OAHLLOKOSA-N 1 0 332.444 2.544 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001236814531 1313536086 /nfs/dbraw/zinc/53/60/86/1313536086.db2.gz UBJVEUREJZZVEC-YLJYHZDGSA-N 1 0 347.455 2.869 20 10 EFCDRO COC(=O)[C@H]1COCCC12C[NH+](Cc1cc3ccccc3cc1O)C2 ZINC001236831206 1313538032 /nfs/dbraw/zinc/53/80/32/1313538032.db2.gz GASZGODEZDEOGK-QGZVFWFLSA-N 1 0 341.407 2.557 20 10 EFCDRO O=C1[C@H]2C[N@H+](Cc3cc4ccccc4cc3O)C[C@H]2CN1CC1CC1 ZINC001236827748 1313538150 /nfs/dbraw/zinc/53/81/50/1313538150.db2.gz AIZPEQADLLPWKR-OALUTQOASA-N 1 0 336.435 2.846 20 10 EFCDRO Oc1cc2ccccc2cc1C[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001236835120 1313538269 /nfs/dbraw/zinc/53/82/69/1313538269.db2.gz IYAXSUNZJRLGJY-RBUKOAKNSA-N 1 0 344.430 2.790 20 10 EFCDRO CC(C)(O)CCN1CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236838156 1313539131 /nfs/dbraw/zinc/53/91/31/1313539131.db2.gz WKNNYZNHRYUQKD-UHFFFAOYSA-N 1 0 328.456 2.824 20 10 EFCDRO Oc1cc2c(cc1O)C[N@H+](Cc1cccc(-n3cncn3)c1)CCC2 ZINC001236892428 1313547321 /nfs/dbraw/zinc/54/73/21/1313547321.db2.gz OXAYEXZUJQQQLC-UHFFFAOYSA-N 1 0 336.395 2.627 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001236918481 1313552961 /nfs/dbraw/zinc/55/29/61/1313552961.db2.gz IPFVWJMUBCBOAC-XHVUQVIVSA-N 1 0 348.874 2.786 20 10 EFCDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236920911 1313553368 /nfs/dbraw/zinc/55/33/68/1313553368.db2.gz APOHRSLVMJJLGX-LSDHHAIUSA-N 1 0 338.879 2.769 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1C[NH+]1CCC2(CCO2)CC1 ZINC001236920789 1313553446 /nfs/dbraw/zinc/55/34/46/1313553446.db2.gz YEVGXEKAFGCVTD-UHFFFAOYSA-N 1 0 336.863 2.932 20 10 EFCDRO C[NH+](C)CCN(Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCC[NH2+]C1 ZINC001236925027 1313554080 /nfs/dbraw/zinc/55/40/80/1313554080.db2.gz VWGLHNNZKBUIGA-AWEZNQCLSA-N 1 0 346.302 2.815 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CCC[C@H]1O ZINC001236924000 1313554086 /nfs/dbraw/zinc/55/40/86/1313554086.db2.gz JHVOURLYHTWPBQ-KBXCAEBGSA-N 1 0 338.879 2.769 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1Cl)[C@H]1CC[C@H](O)CC1 ZINC001236925947 1313554567 /nfs/dbraw/zinc/55/45/67/1313554567.db2.gz ZEWKHBRZPJFTPF-JCNLHEQBSA-N 1 0 338.879 2.912 20 10 EFCDRO C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)C[C@H](C)[N@H+]1C ZINC001236926976 1313554671 /nfs/dbraw/zinc/55/46/71/1313554671.db2.gz MHCANJBOHFLTTH-GASCZTMLSA-N 1 0 337.895 2.701 20 10 EFCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)[C@H]1CO ZINC001236925964 1313554744 /nfs/dbraw/zinc/55/47/44/1313554744.db2.gz ZRDIMMCAWFEHFO-KDOFPFPSSA-N 1 0 338.879 2.769 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC2(COC2)C1 ZINC001236925351 1313554966 /nfs/dbraw/zinc/55/49/66/1313554966.db2.gz UFUCJRSLCTXZGP-UHFFFAOYSA-N 1 0 336.863 2.789 20 10 EFCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3Cl)C[C@@H]21 ZINC001236929043 1313555128 /nfs/dbraw/zinc/55/51/28/1313555128.db2.gz DPHOWGOFAVOBNE-APWZRJJASA-N 1 0 349.906 2.703 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4OCCC[C@H]4C3)c(F)c2)CC1 ZINC001236929264 1313555254 /nfs/dbraw/zinc/55/52/54/1313555254.db2.gz CWULUNDCOHNOHM-FXAWDEMLSA-N 1 0 347.478 2.578 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN3CCc4cccnc4C3)c(F)c2)CC1 ZINC001236941489 1313558046 /nfs/dbraw/zinc/55/80/46/1313558046.db2.gz BYPHRIGLDSXRAC-UHFFFAOYSA-N 1 0 340.446 2.531 20 10 EFCDRO Cc1cc2c(cn1)CN(Cc1ccc(N3CC[NH+](C)CC3)cc1F)C2 ZINC001236943814 1313558109 /nfs/dbraw/zinc/55/81/09/1313558109.db2.gz WENFRFSJEUIGQJ-UHFFFAOYSA-N 1 0 340.446 2.797 20 10 EFCDRO CCN(Cc1ccc(N2CC[NH+](C)CC2)cc1F)CC(F)(F)F ZINC001236942503 1313558325 /nfs/dbraw/zinc/55/83/25/1313558325.db2.gz KHCHFUWGHXAWCN-UHFFFAOYSA-N 1 0 333.373 2.962 20 10 EFCDRO COCCCN(Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@H]1CC[NH2+]C1 ZINC001236951507 1313559905 /nfs/dbraw/zinc/55/99/05/1313559905.db2.gz XKDJITYLTGDEFX-INIZCTEOSA-N 1 0 346.471 2.777 20 10 EFCDRO Oc1c(CN2CC[NH2+]C[C@H]2C(F)(F)F)cccc1OC(F)(F)F ZINC001236982930 1313565822 /nfs/dbraw/zinc/56/58/22/1313565822.db2.gz SXQFTBBYEAIWBZ-JTQLQIEISA-N 1 0 344.255 2.627 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1CN1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001236981170 1313566058 /nfs/dbraw/zinc/56/60/58/1313566058.db2.gz KYSOXOJYRUNUTO-LLVKDONJSA-N 1 0 344.255 2.627 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)c(O)c1 ZINC001237041116 1313573033 /nfs/dbraw/zinc/57/30/33/1313573033.db2.gz FFXJQGDKIHEYPN-UHFFFAOYSA-N 1 0 332.444 2.625 20 10 EFCDRO CCOc1ccc(C[NH+]2CCN(CCc3ccncc3)CC2)c(O)c1 ZINC001237041046 1313573687 /nfs/dbraw/zinc/57/36/87/1313573687.db2.gz BHFRMCCYTHSYLC-UHFFFAOYSA-N 1 0 341.455 2.546 20 10 EFCDRO CCOc1ccc(C[NH+]2CCN(CCc3ccccn3)CC2)c(O)c1 ZINC001237042465 1313574236 /nfs/dbraw/zinc/57/42/36/1313574236.db2.gz WAXSMLHBVQQJNN-UHFFFAOYSA-N 1 0 341.455 2.546 20 10 EFCDRO CCOc1ccc(CN2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)c(O)c1 ZINC001237046381 1313574888 /nfs/dbraw/zinc/57/48/88/1313574888.db2.gz ASNPGZCASXZAPV-GASCZTMLSA-N 1 0 348.443 2.985 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC(N(C)C(=O)C(C)C)CC2)c(O)c1 ZINC001237046319 1313575231 /nfs/dbraw/zinc/57/52/31/1313575231.db2.gz AJNCLYRZQHYIKE-UHFFFAOYSA-N 1 0 334.460 2.870 20 10 EFCDRO CCOc1ccc(C[N@@H+]2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1 ZINC001237049009 1313575737 /nfs/dbraw/zinc/57/57/37/1313575737.db2.gz BZMUKALCWNJHAC-SCAQPMJSSA-N 1 0 348.443 2.746 20 10 EFCDRO COc1ncnc2c1CC[N@H+](Cc1ccc(C(C)C)cc1O)CC2 ZINC001237049565 1313575847 /nfs/dbraw/zinc/57/58/47/1313575847.db2.gz XILLLWLSLPWQSO-UHFFFAOYSA-N 1 0 327.428 2.915 20 10 EFCDRO CCOc1ccc(C[NH+]2CC3(CN(C(=O)OC(C)(C)C)C3)C2)c(O)c1 ZINC001237050161 1313575904 /nfs/dbraw/zinc/57/59/04/1313575904.db2.gz RFLSDBVZOPNNAY-UHFFFAOYSA-N 1 0 348.443 2.844 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](Oc3ncncc3C)C2)c(O)c1 ZINC001237048561 1313576048 /nfs/dbraw/zinc/57/60/48/1313576048.db2.gz UABFUOKTERLVBV-KRWDZBQOSA-N 1 0 343.427 2.933 20 10 EFCDRO COc1cc(O)c(CN2CC[C@]23CCOC3)c(Br)c1 ZINC001237068230 1313580931 /nfs/dbraw/zinc/58/09/31/1313580931.db2.gz NTWFEJYPCYZKGD-CQSZACIVSA-N 1 0 328.206 2.528 20 10 EFCDRO CN1CCN(c2ccc(C[N@H+](C)CCF)cc2Br)CC1 ZINC001237091541 1313585061 /nfs/dbraw/zinc/58/50/61/1313585061.db2.gz DJUOAMJGDWQIEB-UHFFFAOYSA-N 1 0 344.272 2.602 20 10 EFCDRO CC(C)c1ccc(C[NH+]2CCC3(CC2)CC(=O)NC(=O)C3)c(O)c1 ZINC001237049724 1313576464 /nfs/dbraw/zinc/57/64/64/1313576464.db2.gz SAHVMRQZPNKCSI-UHFFFAOYSA-N 1 0 330.428 2.534 20 10 EFCDRO CC[N@@H+]1CCCN(Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237051008 1313576578 /nfs/dbraw/zinc/57/65/78/1313576578.db2.gz GQUSSXKCPTVJFD-UHFFFAOYSA-N 1 0 332.366 2.861 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001237050906 1313576766 /nfs/dbraw/zinc/57/67/66/1313576766.db2.gz YMWUMKVVOGSQIW-ABAIWWIYSA-N 1 0 333.350 2.926 20 10 EFCDRO CC(C)[NH+]1CCN(Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237050878 1313577173 /nfs/dbraw/zinc/57/71/73/1313577173.db2.gz FHFBFPRJEKHTFU-UHFFFAOYSA-N 1 0 332.366 2.859 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001237057349 1313578042 /nfs/dbraw/zinc/57/80/42/1313578042.db2.gz BNBYWWQSMGXMPD-SWLSCSKDSA-N 1 0 331.334 2.944 20 10 EFCDRO CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(C(C)C)cc2O)O1 ZINC001237053870 1313578056 /nfs/dbraw/zinc/57/80/56/1313578056.db2.gz OWCKZCAJGSFXJD-QRQLOZEOSA-N 1 0 346.471 2.772 20 10 EFCDRO CN1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC1(C)C ZINC001237057963 1313578519 /nfs/dbraw/zinc/57/85/19/1313578519.db2.gz GVZZRHUHPRMQOJ-UHFFFAOYSA-N 1 0 332.366 2.859 20 10 EFCDRO CCC[NH+]1CCN(Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237058243 1313578852 /nfs/dbraw/zinc/57/88/52/1313578852.db2.gz XECSTDDHNLRYAE-UHFFFAOYSA-N 1 0 332.366 2.861 20 10 EFCDRO CN1CCC[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@H]21 ZINC001237062434 1313579149 /nfs/dbraw/zinc/57/91/49/1313579149.db2.gz NTZCJCNVEMGUFU-IUODEOHRSA-N 1 0 344.377 2.859 20 10 EFCDRO CC[N@@H+]1CCN(Cc2ccc(OCC(F)(F)F)cc2O)C[C@H]1C ZINC001237062207 1313579242 /nfs/dbraw/zinc/57/92/42/1313579242.db2.gz LKZCWYSVNGFUIQ-GFCCVEGCSA-N 1 0 332.366 2.859 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](C)(O)CC2)c(Br)c1 ZINC001237062801 1313579438 /nfs/dbraw/zinc/57/94/38/1313579438.db2.gz OQUFCQZPLBCDRN-OAHLLOKOSA-N 1 0 344.249 2.900 20 10 EFCDRO C[N@H+](C1CC1)[C@@H]1CCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237114390 1313587980 /nfs/dbraw/zinc/58/79/80/1313587980.db2.gz KVVRFNBBVLPXIU-GFCCVEGCSA-N 1 0 330.350 2.959 20 10 EFCDRO C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001237114593 1313588219 /nfs/dbraw/zinc/58/82/19/1313588219.db2.gz MRGKWRJTZVBUFS-IAQYHMDHSA-N 1 0 330.350 2.674 20 10 EFCDRO C[N@@H+]1CC[C@@]2(CCN(Cc3c(O)cccc3OC(F)(F)F)C2)C1 ZINC001237115417 1313588824 /nfs/dbraw/zinc/58/88/24/1313588824.db2.gz SFRYXXKBQLGCHC-OAHLLOKOSA-N 1 0 330.350 2.818 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1C[N@H+]1CCc2nccn2CC1 ZINC001237115496 1313589094 /nfs/dbraw/zinc/58/90/94/1313589094.db2.gz UKIPNLGDIQEBED-UHFFFAOYSA-N 1 0 327.306 2.546 20 10 EFCDRO COC(=O)N1CCCN(Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237117995 1313589579 /nfs/dbraw/zinc/58/95/79/1313589579.db2.gz SHXBBAHKKMIMKH-UHFFFAOYSA-N 1 0 348.321 2.565 20 10 EFCDRO Oc1ccc(F)c(Cl)c1C[NH+]1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 ZINC001237120319 1313589752 /nfs/dbraw/zinc/58/97/52/1313589752.db2.gz BOCRCTUBCOJTQM-RYUDHWBXSA-N 1 0 348.809 2.543 20 10 EFCDRO O=C1CCC[C@@]2(CCC[N@@H+](Cc3c(O)ccc(F)c3Cl)C2)N1 ZINC001237120252 1313589802 /nfs/dbraw/zinc/58/98/02/1313589802.db2.gz AEVRLXXEWLBPAS-INIZCTEOSA-N 1 0 326.799 2.819 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3CC3(F)F)C2)cc1C ZINC000961805820 1299126432 /nfs/dbraw/zinc/12/64/32/1299126432.db2.gz BXOLKLXXASFZBF-NRXISQOPSA-N 1 0 338.398 2.643 20 10 EFCDRO CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001096640915 1313594041 /nfs/dbraw/zinc/59/40/41/1313594041.db2.gz ILRAZFDQUDAVMB-ILXRZTDVSA-N 1 0 329.404 2.594 20 10 EFCDRO CCC[N@H+](Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H](C)CC ZINC001237204305 1313605311 /nfs/dbraw/zinc/60/53/11/1313605311.db2.gz ZDOLSSRWDWHOEZ-MRXNPFEDSA-N 1 0 338.517 2.932 20 10 EFCDRO O=S1(=O)CCN(c2ccc(C[N@@H+]3CC[C@@H]4CCC[C@H]4C3)cc2)CC1 ZINC001237204604 1313605391 /nfs/dbraw/zinc/60/53/91/1313605391.db2.gz COWJXLYMKNOADQ-ROUUACIJSA-N 1 0 348.512 2.543 20 10 EFCDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237208060 1313605950 /nfs/dbraw/zinc/60/59/50/1313605950.db2.gz XWIMQVSMDYQOKL-JKSUJKDBSA-N 1 0 336.501 2.542 20 10 EFCDRO O=S1(=O)CCN(c2ccc(C[N@@H+]3CCC34CCCCC4)cc2)CC1 ZINC001237205761 1313605996 /nfs/dbraw/zinc/60/59/96/1313605996.db2.gz ILUDVXDGCIUJDV-UHFFFAOYSA-N 1 0 348.512 2.830 20 10 EFCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H](C)C1 ZINC001237211318 1313606946 /nfs/dbraw/zinc/60/69/46/1313606946.db2.gz DZHTZBKKRKJANW-HOTGVXAUSA-N 1 0 336.501 2.542 20 10 EFCDRO O=S1(=O)CCN(c2ccc(C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC001237213717 1313607036 /nfs/dbraw/zinc/60/70/36/1313607036.db2.gz VSTQTYXSBGIVGJ-HKUYNNGSSA-N 1 0 348.512 2.686 20 10 EFCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H](C)C1 ZINC001237211321 1313607289 /nfs/dbraw/zinc/60/72/89/1313607289.db2.gz DZHTZBKKRKJANW-HZPDHXFCSA-N 1 0 336.501 2.542 20 10 EFCDRO c1ccc2oc(-c3ccc(N4CCN(C[C@@H]5CC[NH2+]5)CC4)cc3)nc2c1 ZINC001237259697 1313614102 /nfs/dbraw/zinc/61/41/02/1313614102.db2.gz XCJONPVTNMSVDP-KRWDZBQOSA-N 1 0 348.450 2.979 20 10 EFCDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1O ZINC000109772599 1299338173 /nfs/dbraw/zinc/33/81/73/1299338173.db2.gz RIRUDLKOBSQUPT-LBPRGKRZSA-N 1 0 329.356 2.759 20 10 EFCDRO c1ccc(COc2ccc(N3CCN(C[C@@H]4CC[NH2+]4)CC3)cc2)cc1 ZINC001237248291 1313612054 /nfs/dbraw/zinc/61/20/54/1313612054.db2.gz KSQYJIXDINAMGX-IBGZPJMESA-N 1 0 337.467 2.750 20 10 EFCDRO CCn1ccnc1CN1CCC12C[NH+](Cc1c(C)cc(C)cc1O)C2 ZINC001276366091 1299369551 /nfs/dbraw/zinc/36/95/51/1299369551.db2.gz ZJZIZSICHYABOZ-UHFFFAOYSA-N 1 0 340.471 2.686 20 10 EFCDRO Cc1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)nc(C)n1 ZINC000851841842 1299429567 /nfs/dbraw/zinc/42/95/67/1299429567.db2.gz YFIARIVJPNJBNR-GOSISDBHSA-N 1 0 327.428 2.980 20 10 EFCDRO COCCOc1ccc(N2CC[NH+](Cc3cccnc3C)CC2)cc1 ZINC001207154562 1313625885 /nfs/dbraw/zinc/62/58/85/1313625885.db2.gz WDFZVYICHVLENW-UHFFFAOYSA-N 1 0 341.455 2.737 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000852466718 1299715456 /nfs/dbraw/zinc/71/54/56/1299715456.db2.gz UQYUSYUQLSHBHG-QWHCGFSZSA-N 1 0 335.448 2.634 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3nocc3C)C2)cc1C ZINC000962499881 1299742120 /nfs/dbraw/zinc/74/21/20/1299742120.db2.gz KMGKWAOOBJAGNS-UHFFFAOYSA-N 1 0 343.427 2.598 20 10 EFCDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1cc(Cl)ccc1O ZINC000852601679 1299778171 /nfs/dbraw/zinc/77/81/71/1299778171.db2.gz MAWSYJLSXFPWOQ-ZDUSSCGKSA-N 1 0 339.867 2.965 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1[C@H](CC)CCC[C@@H]1C)cc2=O ZINC000852712798 1299827758 /nfs/dbraw/zinc/82/77/58/1299827758.db2.gz WUTPRYJJFQPMDQ-GXTWGEPZSA-N 1 0 346.431 2.765 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)c1cc2c(s1)CC[NH2+]C2 ZINC000852785182 1299885742 /nfs/dbraw/zinc/88/57/42/1299885742.db2.gz BQPDZBKPDGXJGQ-UHFFFAOYSA-N 1 0 341.480 2.924 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000852790789 1299888062 /nfs/dbraw/zinc/88/80/62/1299888062.db2.gz BMPNNEZEMFGARD-MOPGFXCFSA-N 1 0 341.430 2.738 20 10 EFCDRO C[C@@H]1Cc2cc(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)ccc2O1 ZINC000852791061 1299888209 /nfs/dbraw/zinc/88/82/09/1299888209.db2.gz CITUCYBJTQUHLJ-FZKQIMNGSA-N 1 0 339.439 2.506 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001237487284 1313654810 /nfs/dbraw/zinc/65/48/10/1313654810.db2.gz HPFNBZXQCDFHIK-INIZCTEOSA-N 1 0 331.437 2.749 20 10 EFCDRO COc1ccc(N2CC[C@H](CNC(=O)C[C@@H](C[NH3+])CC(C)C)C2)cc1 ZINC000852819482 1299900030 /nfs/dbraw/zinc/90/00/30/1299900030.db2.gz CINJKSAOOHVENZ-SJORKVTESA-N 1 0 347.503 2.649 20 10 EFCDRO Cc1cccc(O)c1C[N@H+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC001237488994 1313654830 /nfs/dbraw/zinc/65/48/30/1313654830.db2.gz TXAWPDDQRWIBPN-IYBDPMFKSA-N 1 0 342.464 2.966 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CC2CC1(C(=O)NCc1ccco1)C2 ZINC001237488048 1313654879 /nfs/dbraw/zinc/65/48/79/1313654879.db2.gz IFODSLRANUCEHV-UHFFFAOYSA-N 1 0 326.396 2.574 20 10 EFCDRO COC(=O)c1ccc(N2CC[NH+](Cc3c(C)cccc3O)CC2)cc1 ZINC001237487861 1313655306 /nfs/dbraw/zinc/65/53/06/1313655306.db2.gz NXBHWQABWUUEEK-UHFFFAOYSA-N 1 0 340.423 2.809 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccn2nccc2c1 ZINC001237541599 1313664221 /nfs/dbraw/zinc/66/42/21/1313664221.db2.gz YZSFJFUBJDYTJT-UHFFFAOYSA-N 1 0 336.439 2.803 20 10 EFCDRO Cn1cc(CCC[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000111233045 1300079321 /nfs/dbraw/zinc/07/93/21/1300079321.db2.gz ZZMFFHDUYMPBSN-SFHVURJKSA-N 1 0 329.444 2.740 20 10 EFCDRO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000111236001 1300079845 /nfs/dbraw/zinc/07/98/45/1300079845.db2.gz JFZBAWUUQBYQBN-INIZCTEOSA-N 1 0 326.440 2.880 20 10 EFCDRO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235410 1300080359 /nfs/dbraw/zinc/08/03/59/1300080359.db2.gz SJHJXXRKQXXLNV-QAPCUYQASA-N 1 0 334.460 2.536 20 10 EFCDRO Cc1cc(CC(=O)NCC2CC[NH2+]CC2)c(C)n1-c1ccccc1 ZINC000853303371 1300081962 /nfs/dbraw/zinc/08/19/62/1300081962.db2.gz UBXVVHJHKUTPAH-UHFFFAOYSA-N 1 0 325.456 2.752 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853556071 1300163177 /nfs/dbraw/zinc/16/31/77/1300163177.db2.gz WMTBUQCFPWCMEB-SUMWQHHRSA-N 1 0 346.471 2.799 20 10 EFCDRO C[C@H]1c2ccccc2OCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000853630421 1300201193 /nfs/dbraw/zinc/20/11/93/1300201193.db2.gz FYZUVPCPFSHBLU-YVEFUNNKSA-N 1 0 327.380 2.774 20 10 EFCDRO C[C@@]1(CO)C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC[C@@H]1O ZINC001237640690 1313682714 /nfs/dbraw/zinc/68/27/14/1313682714.db2.gz DYUIQRWWSSPFEJ-PMACEKPBSA-N 1 0 345.414 2.764 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCOC(C)C)C2)cc1C ZINC001207452750 1313687224 /nfs/dbraw/zinc/68/72/24/1313687224.db2.gz XGDSDGICYWTWKA-GOSISDBHSA-N 1 0 348.487 2.899 20 10 EFCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237645229 1313683816 /nfs/dbraw/zinc/68/38/16/1313683816.db2.gz AGJYUZSAWGUAPZ-GOSISDBHSA-N 1 0 328.387 2.909 20 10 EFCDRO Cc1cc(O)c(CN2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC001237679591 1313689606 /nfs/dbraw/zinc/68/96/06/1313689606.db2.gz RPFYHRQRWGLHBE-ZDUSSCGKSA-N 1 0 325.250 2.743 20 10 EFCDRO COc1cc(C[NH+]2CCC3(C[C@@H](F)CO3)CC2)c(O)c(OC)c1 ZINC001237681214 1313691115 /nfs/dbraw/zinc/69/11/15/1313691115.db2.gz QBEGNYFEULXPQO-CYBMUJFWSA-N 1 0 325.380 2.502 20 10 EFCDRO CC[N@@H+]1CCN(Cc2cc(Br)c(C)cc2O)C[C@H]1C ZINC001237684427 1313691921 /nfs/dbraw/zinc/69/19/21/1313691921.db2.gz KKPFKIKICAZKTE-GFCCVEGCSA-N 1 0 327.266 2.989 20 10 EFCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)c1O ZINC001237687478 1313692686 /nfs/dbraw/zinc/69/26/86/1313692686.db2.gz DHPVSWFYUKQYBM-AWEZNQCLSA-N 1 0 337.782 2.936 20 10 EFCDRO COCCCC[NH+]1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC001237688708 1313692957 /nfs/dbraw/zinc/69/29/57/1313692957.db2.gz IWDNQHUVCBKAAM-UHFFFAOYSA-N 1 0 326.868 2.898 20 10 EFCDRO CCOC(=O)CC1CC[NH+](Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237670756 1313688880 /nfs/dbraw/zinc/68/88/80/1313688880.db2.gz WQJSSXRVGKSQQY-UHFFFAOYSA-N 1 0 337.416 2.575 20 10 EFCDRO COc1cc(CN2CCCC[C@H]2C[NH+]2CCCC2)c(O)c(OC)c1 ZINC001237675259 1313689267 /nfs/dbraw/zinc/68/92/67/1313689267.db2.gz CWZWRZCHHDFDPC-INIZCTEOSA-N 1 0 334.460 2.860 20 10 EFCDRO CCO[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207473901 1313694258 /nfs/dbraw/zinc/69/42/58/1313694258.db2.gz XQOSIJGAKAOMNP-DOTOQJQBSA-N 1 0 334.460 2.509 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC[C@H](C)[NH+](C)C ZINC000854176164 1300462271 /nfs/dbraw/zinc/46/22/71/1300462271.db2.gz BQRXTYIGLMOHKP-HOTGVXAUSA-N 1 0 334.508 2.631 20 10 EFCDRO [NH3+][C@@H]1C[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)c2ccccc21 ZINC000854230229 1300478706 /nfs/dbraw/zinc/47/87/06/1300478706.db2.gz KHZBNZVONDRHAM-NHCUHLMSSA-N 1 0 337.467 2.882 20 10 EFCDRO C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000854232134 1300480101 /nfs/dbraw/zinc/48/01/01/1300480101.db2.gz MVRPUMWBOMVFCZ-SSDOTTSWSA-N 1 0 343.214 2.504 20 10 EFCDRO Oc1c(I)cccc1CN1CC2(CCC2)C1 ZINC001237775031 1313704126 /nfs/dbraw/zinc/70/41/26/1313704126.db2.gz BOTVVJKCAAXNRK-UHFFFAOYSA-N 1 0 329.181 2.983 20 10 EFCDRO C[NH+]1CCC(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1 ZINC000854514694 1300604223 /nfs/dbraw/zinc/60/42/23/1300604223.db2.gz HTMRTOQQOJQGFX-UHFFFAOYSA-N 1 0 335.411 2.677 20 10 EFCDRO COc1ccc(CNc2ncnc3c2cnn3C(C)(C)C)c(O)c1 ZINC000795292085 1300657644 /nfs/dbraw/zinc/65/76/44/1300657644.db2.gz LQRKMQXZJAZJCP-UHFFFAOYSA-N 1 0 327.388 2.908 20 10 EFCDRO CC(C)N1CCC[C@@H]([N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1=O ZINC000245705689 1300734101 /nfs/dbraw/zinc/73/41/01/1300734101.db2.gz YOGBXMGGHZIIMD-QZTJIDSGSA-N 1 0 346.471 2.773 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000246013181 1300842239 /nfs/dbraw/zinc/84/22/39/1300842239.db2.gz INLORWVWLHROIH-AYMQEEERSA-N 1 0 334.460 2.992 20 10 EFCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cccc(OC)c2O)C1 ZINC000776810580 1300934027 /nfs/dbraw/zinc/93/40/27/1300934027.db2.gz ZLAMECDZTIHXFC-ZFWWWQNUSA-N 1 0 336.432 2.747 20 10 EFCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000113324367 1300958055 /nfs/dbraw/zinc/95/80/55/1300958055.db2.gz BNAJALHHENFYKX-UHFFFAOYSA-N 1 0 330.403 2.966 20 10 EFCDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000113364781 1300978630 /nfs/dbraw/zinc/97/86/30/1300978630.db2.gz UBHBQAOYHDJLMP-KRWDZBQOSA-N 1 0 332.492 2.816 20 10 EFCDRO CN1C(=O)CCC12CC[NH+](Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001237940413 1313733766 /nfs/dbraw/zinc/73/37/66/1313733766.db2.gz KBGSSFQKUNMFMV-UHFFFAOYSA-N 1 0 326.799 2.772 20 10 EFCDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000855734167 1301085840 /nfs/dbraw/zinc/08/58/40/1301085840.db2.gz WVTXBNGOLMWXSH-HNNXBMFYSA-N 1 0 330.453 2.843 20 10 EFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCOC[C@H]2OCCOC)cc1 ZINC000776869320 1301204763 /nfs/dbraw/zinc/20/47/63/1301204763.db2.gz NUCMRHMCUSZKJE-ZYSHUDEJSA-N 1 0 336.476 2.614 20 10 EFCDRO Cc1cc(F)cc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1O ZINC001238057187 1313752847 /nfs/dbraw/zinc/75/28/47/1313752847.db2.gz JIROXTALOQXISA-UONOGXRCSA-N 1 0 328.387 2.621 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)c1O ZINC001238062792 1313753287 /nfs/dbraw/zinc/75/32/87/1313753287.db2.gz WZFRSRTZFFZYEX-YJBOKZPZSA-N 1 0 340.398 2.935 20 10 EFCDRO CCO[C@H]1CC[N@H+](Cc2cc(F)cc(C)c2O)[C@H]1Cc1cnn(C)c1 ZINC001238061515 1313753712 /nfs/dbraw/zinc/75/37/12/1313753712.db2.gz NZERNHOXYIOTFJ-ROUUACIJSA-N 1 0 347.434 2.795 20 10 EFCDRO Cc1cc(F)cc(C[NH+]2CCC3(CCCN3C(=O)N(C)C)CC2)c1O ZINC001238062722 1313753732 /nfs/dbraw/zinc/75/37/32/1313753732.db2.gz WSCABQVUYBYLKN-UHFFFAOYSA-N 1 0 349.450 2.952 20 10 EFCDRO Cc1cc(OC2CC[NH+](Cc3cc(F)cc(C)c3O)CC2)ncn1 ZINC001238064848 1313754081 /nfs/dbraw/zinc/75/40/81/1313754081.db2.gz CYPWINXTZGLZAB-UHFFFAOYSA-N 1 0 331.391 2.982 20 10 EFCDRO Cc1cc(F)cc(C[NH+]2CCC3(CC2)OC(=O)c2ccncc23)c1O ZINC001238065887 1313754138 /nfs/dbraw/zinc/75/41/38/1313754138.db2.gz GHQPRUGLJXDSIC-UHFFFAOYSA-N 1 0 342.370 2.896 20 10 EFCDRO Cc1cc(F)cc(C[NH+]2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)c1O ZINC001238063916 1313754240 /nfs/dbraw/zinc/75/42/40/1313754240.db2.gz MSBZDDJLVSVGAG-ROUUACIJSA-N 1 0 341.430 2.799 20 10 EFCDRO Cc1cc(F)cc(CN2CCC([N@H+](C)C3CCOCC3)CC2)c1O ZINC001238068632 1313754752 /nfs/dbraw/zinc/75/47/52/1313754752.db2.gz FDBUTZQERYYGBH-UHFFFAOYSA-N 1 0 336.451 2.915 20 10 EFCDRO COc1cnc(OC2CC[NH+](Cc3cc(F)cc(C)c3O)CC2)nc1 ZINC001238067325 1313755044 /nfs/dbraw/zinc/75/50/44/1313755044.db2.gz RXVLUZBKUMYKSP-UHFFFAOYSA-N 1 0 347.390 2.682 20 10 EFCDRO Cc1cc(O[C@@H]2CCC[N@H+](Cc3cc(F)cc(C)c3O)C2)ncn1 ZINC001238066820 1313755270 /nfs/dbraw/zinc/75/52/70/1313755270.db2.gz MJBDZQOHACNALI-MRXNPFEDSA-N 1 0 331.391 2.982 20 10 EFCDRO O=S(=O)(NCC1C[NH2+]C1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238078945 1313756635 /nfs/dbraw/zinc/75/66/35/1313756635.db2.gz OQHVJMLYTRXFEB-FMQUCBEESA-N 1 0 330.413 2.600 20 10 EFCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001207780811 1313772608 /nfs/dbraw/zinc/77/26/08/1313772608.db2.gz JTGYDMKRWDXGQN-PHZGNYQRSA-N 1 0 332.444 2.937 20 10 EFCDRO Cc1cc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)ccc1N1CCCCC1 ZINC000859833403 1301594571 /nfs/dbraw/zinc/59/45/71/1301594571.db2.gz SZPSNQNSWRPYFH-OYRHEFFESA-N 1 0 346.515 2.798 20 10 EFCDRO CC[C@H](C)OCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207856233 1313789180 /nfs/dbraw/zinc/78/91/80/1313789180.db2.gz AZUSJAHUUIVYME-WMZOPIPTSA-N 1 0 348.487 2.899 20 10 EFCDRO CC[NH2+]C1CCC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000964447634 1301846930 /nfs/dbraw/zinc/84/69/30/1301846930.db2.gz KHILCXQDEUXYRQ-UHFFFAOYSA-N 1 0 331.420 2.842 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)c2cnco2)cc1C ZINC001037052285 1302006214 /nfs/dbraw/zinc/00/62/14/1302006214.db2.gz WDJWMSNZQZZNST-HZPDHXFCSA-N 1 0 343.427 2.680 20 10 EFCDRO CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001018324876 1313813921 /nfs/dbraw/zinc/81/39/21/1313813921.db2.gz LDKMJQHSTKMCNA-GASCZTMLSA-N 1 0 329.404 2.548 20 10 EFCDRO O=S(=O)(NC[C@H]1CC[NH2+]1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238411486 1313814663 /nfs/dbraw/zinc/81/46/63/1313814663.db2.gz CYWADENSSBYYHV-FZFLATATSA-N 1 0 330.413 2.742 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H](C)C[NH+](C)C)c1 ZINC000861803420 1302210109 /nfs/dbraw/zinc/21/01/09/1302210109.db2.gz WPCIQKUDRMMUKX-AWEZNQCLSA-N 1 0 341.455 2.834 20 10 EFCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(OC)ccc2O)C1 ZINC000777223095 1302253149 /nfs/dbraw/zinc/25/31/49/1302253149.db2.gz RRPBJMQKQFHBSO-KBPBESRZSA-N 1 0 336.432 2.747 20 10 EFCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862250244 1302321213 /nfs/dbraw/zinc/32/12/13/1302321213.db2.gz LCYVREZSYRAIKS-CQSZACIVSA-N 1 0 328.206 2.540 20 10 EFCDRO COCCOC[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862250761 1302321763 /nfs/dbraw/zinc/32/17/63/1302321763.db2.gz UFPGDQXERKUSSV-LBPRGKRZSA-N 1 0 344.249 2.640 20 10 EFCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[C@H]1C(=O)OC(C)(C)C ZINC000862485334 1302399072 /nfs/dbraw/zinc/39/90/72/1302399072.db2.gz KYMOXAARLDGVMR-GXTWGEPZSA-N 1 0 349.427 2.921 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[C@H]1C(=O)OC(C)(C)C ZINC000862485337 1302399237 /nfs/dbraw/zinc/39/92/37/1302399237.db2.gz KYMOXAARLDGVMR-TZMCWYRMSA-N 1 0 349.427 2.921 20 10 EFCDRO CC[NH2+]CCNS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238595753 1313843210 /nfs/dbraw/zinc/84/32/10/1313843210.db2.gz OMXISCZRENOLTL-FMQUCBEESA-N 1 0 332.429 2.990 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C)cc2=O ZINC000119283522 1302540447 /nfs/dbraw/zinc/54/04/47/1302540447.db2.gz LEJQUZCTBVHTAY-TYNCELHUSA-N 1 0 346.431 2.526 20 10 EFCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000119487619 1302635387 /nfs/dbraw/zinc/63/53/87/1302635387.db2.gz XGKNZDHMQOYKOL-CYBMUJFWSA-N 1 0 334.441 2.541 20 10 EFCDRO CN(C)c1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000863646510 1302666734 /nfs/dbraw/zinc/66/67/34/1302666734.db2.gz LHNWDDRMQQAQCA-QWHCGFSZSA-N 1 0 333.373 2.851 20 10 EFCDRO C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)(C)C[NH+](C)C ZINC000119628538 1302709403 /nfs/dbraw/zinc/70/94/03/1302709403.db2.gz FSWKJPYGWQJIKV-HNNXBMFYSA-N 1 0 334.508 2.870 20 10 EFCDRO C[N@H+](CCC(=O)N1CCOc2ccccc21)Cc1ccccc1O ZINC000794561505 1302730976 /nfs/dbraw/zinc/73/09/76/1302730976.db2.gz UHDZGGKPHWKCGT-UHFFFAOYSA-N 1 0 326.396 2.640 20 10 EFCDRO C[C@H]1OCC[C@]12C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)CCO2 ZINC000794662857 1302885170 /nfs/dbraw/zinc/88/51/70/1302885170.db2.gz PGPXUTGBDANHDR-YJYMSZOUSA-N 1 0 335.444 2.775 20 10 EFCDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)CCO2 ZINC000794662853 1302885767 /nfs/dbraw/zinc/88/57/67/1302885767.db2.gz PGPXUTGBDANHDR-ORAYPTAESA-N 1 0 335.444 2.775 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@]2(CCOC2)O1 ZINC000794708792 1303024221 /nfs/dbraw/zinc/02/42/21/1303024221.db2.gz YSYNYKFNWMEKTL-BFUOFWGJSA-N 1 0 335.444 2.775 20 10 EFCDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000794798914 1303079094 /nfs/dbraw/zinc/07/90/94/1303079094.db2.gz ZJGDPYMJDKCGDN-QGZVFWFLSA-N 1 0 344.434 2.563 20 10 EFCDRO CC[C@H]([NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc(C)cc1O ZINC000794812546 1303171808 /nfs/dbraw/zinc/17/18/08/1303171808.db2.gz MJDVRERKXRWDJL-COXVUDFISA-N 1 0 342.443 2.669 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]Cc2c(Br)cnn2C)c1O ZINC000866432233 1303638022 /nfs/dbraw/zinc/63/80/22/1303638022.db2.gz NREBAGINLWGHRP-SECBINFHSA-N 1 0 340.221 2.748 20 10 EFCDRO Cc1cc(C)cc(C(=O)c2ccccc2NC(=S)NCC[NH3+])c1 ZINC001239352170 1313928072 /nfs/dbraw/zinc/92/80/72/1313928072.db2.gz QMVXEFAZXRYRLL-UHFFFAOYSA-N 1 0 327.453 2.780 20 10 EFCDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000121102722 1303670045 /nfs/dbraw/zinc/67/00/45/1303670045.db2.gz LWAYWQCJLIEVOA-UHFFFAOYSA-N 1 0 347.503 2.554 20 10 EFCDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)NCc1ccccc1O ZINC000748460976 1313938369 /nfs/dbraw/zinc/93/83/69/1313938369.db2.gz UAMNQWOWQDPOQC-UHFFFAOYSA-N 1 0 339.439 2.987 20 10 EFCDRO COCC1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001208569977 1313964552 /nfs/dbraw/zinc/96/45/52/1313964552.db2.gz WBZOWVSLTHWKFT-KRWDZBQOSA-N 1 0 346.471 2.511 20 10 EFCDRO Cc1cc(O)c(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)cc1C ZINC000796501712 1304346903 /nfs/dbraw/zinc/34/69/03/1304346903.db2.gz ZHSDNRFBDMEUEC-UHFFFAOYSA-N 1 0 338.407 2.785 20 10 EFCDRO COC(=O)[C@H]1CC[C@H](C[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC001208625204 1313983887 /nfs/dbraw/zinc/98/38/87/1313983887.db2.gz XFCQIXHUHUOTAF-QAQDUYKDSA-N 1 0 346.471 2.797 20 10 EFCDRO COC(=O)[C@H]1CC[C@H](C[N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001208632140 1313985477 /nfs/dbraw/zinc/98/54/77/1313985477.db2.gz JBKIUFQEMVTTES-HDJSIYSDSA-N 1 0 333.428 2.825 20 10 EFCDRO CC(=O)N1CCC(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001208675006 1313991888 /nfs/dbraw/zinc/99/18/88/1313991888.db2.gz BJUWZKFKLHLKRH-UHFFFAOYSA-N 1 0 329.488 2.977 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cncc(C)c3)C2)cc1C ZINC001018661582 1313992992 /nfs/dbraw/zinc/99/29/92/1313992992.db2.gz PQKBQSYLIFDQCK-SFHVURJKSA-N 1 0 339.439 2.711 20 10 EFCDRO CC[C@H](SC)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001018726722 1314022943 /nfs/dbraw/zinc/02/29/43/1314022943.db2.gz XOJREIZTJZBAJI-RDJZCZTQSA-N 1 0 336.501 2.836 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc(C)sn3)C2)cc1C ZINC001018777252 1314042532 /nfs/dbraw/zinc/04/25/32/1314042532.db2.gz JUEAHTVSDCNNIG-HNNXBMFYSA-N 1 0 345.468 2.773 20 10 EFCDRO COCCC[N@@H+]1CCC[C@]2(C1)COCCN(c1ccc(OC)cc1)C2 ZINC001209050932 1314080006 /nfs/dbraw/zinc/08/00/06/1314080006.db2.gz XVWNKHJJSSOBSN-HXUWFJFHSA-N 1 0 348.487 2.651 20 10 EFCDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2ccccc2O)s1 ZINC000796527782 1305982219 /nfs/dbraw/zinc/98/22/19/1305982219.db2.gz ASTQJRJBSIFJGR-GHMZBOCLSA-N 1 0 334.445 2.559 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)cc1C ZINC000968343356 1306158795 /nfs/dbraw/zinc/15/87/95/1306158795.db2.gz BLNCWXXYVRFZBU-VXNCWWDNSA-N 1 0 328.456 2.740 20 10 EFCDRO CC[C@@H](SC)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000968416323 1306286102 /nfs/dbraw/zinc/28/61/02/1306286102.db2.gz XOJREIZTJZBAJI-NVXWUHKLSA-N 1 0 336.501 2.836 20 10 EFCDRO CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001018993192 1314124915 /nfs/dbraw/zinc/12/49/15/1314124915.db2.gz PIGUGCIZBKXRJK-AOIWGVFYSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(F)F)[C@H](C)C2)cc1C ZINC001044402450 1306472431 /nfs/dbraw/zinc/47/24/31/1306472431.db2.gz VXSODAJHZMACSZ-OCCSQVGLSA-N 1 0 326.387 2.738 20 10 EFCDRO Cc1c(C)n(Cc2ccco2)c2ncnc(-c3cnn(C4C[NH2+]C4)c3)c12 ZINC001241597688 1314130966 /nfs/dbraw/zinc/13/09/66/1314130966.db2.gz GUJZOMSRDSZHJR-UHFFFAOYSA-N 1 0 348.410 2.697 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CSC)[C@H](C)C2)cc1C ZINC001044440892 1306509979 /nfs/dbraw/zinc/50/99/79/1306509979.db2.gz KZNIUMZNJLBBEX-GDBMZVCRSA-N 1 0 336.501 2.836 20 10 EFCDRO COc1ccc(N2CC[NH+](CCOc3ccccc3)CC2)c(OC)c1 ZINC001209300367 1314134072 /nfs/dbraw/zinc/13/40/72/1314134072.db2.gz SYZDYSTUEWCHQA-UHFFFAOYSA-N 1 0 342.439 2.905 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968684805 1306566227 /nfs/dbraw/zinc/56/62/27/1306566227.db2.gz ITXZMOMAPMUNFT-CJNGLKHVSA-N 1 0 345.447 2.945 20 10 EFCDRO CC(C)[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968685129 1306566919 /nfs/dbraw/zinc/56/69/19/1306566919.db2.gz NMHMOSMMLQWERX-IUODEOHRSA-N 1 0 331.420 2.698 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2ncoc2C)cc1C ZINC001044950849 1306949766 /nfs/dbraw/zinc/94/97/66/1306949766.db2.gz FCYGMGDUPKUOPZ-INIZCTEOSA-N 1 0 343.427 2.694 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C[C@@H]2CCOC2)cc1C ZINC001044967744 1306961294 /nfs/dbraw/zinc/96/12/94/1306961294.db2.gz PCBUNKLKADVJDO-ROUUACIJSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2ccn(C)c2)cc1C ZINC001044992612 1306981626 /nfs/dbraw/zinc/98/16/26/1306981626.db2.gz OCOORVODFGDXPL-SFHVURJKSA-N 1 0 341.455 2.737 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CC2(F)F)cc1C ZINC001045026425 1307002825 /nfs/dbraw/zinc/00/28/25/1307002825.db2.gz IVUAGKFPPZGZKT-GJZGRUSLSA-N 1 0 338.398 2.739 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CC23CC3)cc1C ZINC001045217154 1307146842 /nfs/dbraw/zinc/14/68/42/1307146842.db2.gz SHGWWFSWZYYYAE-DLBZAZTESA-N 1 0 328.456 2.884 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CCC(NC(N)=O)CC2)cc1 ZINC001209517861 1314178800 /nfs/dbraw/zinc/17/88/00/1314178800.db2.gz HKVYQQXBVVRGGK-UHFFFAOYSA-N 1 0 326.444 2.727 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)cc1 ZINC001209516391 1314178820 /nfs/dbraw/zinc/17/88/20/1314178820.db2.gz FKSJIXZMRRXNGG-VQTJNVASSA-N 1 0 328.456 2.659 20 10 EFCDRO COc1cc(C[N@H+](CCNC(C)=O)Cc2ccsc2)c(O)cc1C ZINC000800850227 1308547055 /nfs/dbraw/zinc/54/70/55/1308547055.db2.gz PNYNBEQFAGMDDW-UHFFFAOYSA-N 1 0 348.468 2.909 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCC3CC3)C2)cc1 ZINC001009671760 1308603599 /nfs/dbraw/zinc/60/35/99/1308603599.db2.gz JPEADZGMYOUQNZ-MRXNPFEDSA-N 1 0 343.431 2.843 20 10 EFCDRO C[C@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009672612 1308604286 /nfs/dbraw/zinc/60/42/86/1308604286.db2.gz MIPLOQZOQNIZBU-SWLSCSKDSA-N 1 0 349.410 2.791 20 10 EFCDRO C[C@@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009672610 1308604319 /nfs/dbraw/zinc/60/43/19/1308604319.db2.gz MIPLOQZOQNIZBU-IUODEOHRSA-N 1 0 349.410 2.791 20 10 EFCDRO CC(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009674490 1308604465 /nfs/dbraw/zinc/60/44/65/1308604465.db2.gz RUSJDKRKNSZVCO-OAHLLOKOSA-N 1 0 331.420 2.699 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000800969458 1308762384 /nfs/dbraw/zinc/76/23/84/1308762384.db2.gz OWWVXHPDJJLFSN-DBVUQKKJSA-N 1 0 329.488 2.595 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(C)(C)C(F)F)C2)cc1C ZINC001019354687 1314290115 /nfs/dbraw/zinc/29/01/15/1314290115.db2.gz PJNYKTWMUOBISE-AWEZNQCLSA-N 1 0 340.414 2.985 20 10 EFCDRO CC[C@@H](F)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046868957 1309573326 /nfs/dbraw/zinc/57/33/26/1309573326.db2.gz JITCXHLTRQGJHP-DYVFJYSZSA-N 1 0 349.410 2.791 20 10 EFCDRO COc1cc(C)c(CN2CC[NH2+][C@@H](Cc3ccccc3)C2)c(O)c1 ZINC001210383300 1314324345 /nfs/dbraw/zinc/32/43/45/1314324345.db2.gz NJQUFUWFCJDQJU-KRWDZBQOSA-N 1 0 326.440 2.726 20 10 EFCDRO COc1cc(N2CC[NH+](C)CC2)ccc1-c1cnc2c(c1)CCCN2 ZINC001244164860 1314357947 /nfs/dbraw/zinc/35/79/47/1314357947.db2.gz ZFTBLUZSSAXXCF-UHFFFAOYSA-N 1 0 338.455 2.510 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCn3cccc3)C2)cc1C ZINC001019564328 1314385278 /nfs/dbraw/zinc/38/52/78/1314385278.db2.gz KNANRZFFWYQKQN-SFHVURJKSA-N 1 0 341.455 2.586 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)c1ccsc1)cc2=O ZINC000801570343 1310539293 /nfs/dbraw/zinc/53/92/93/1310539293.db2.gz PBAOGPRCENYFIF-JTQLQIEISA-N 1 0 346.412 2.524 20 10 EFCDRO CCCC[N@H+](Cc1ccccc1O)CC1(CS(C)(=O)=O)CC1 ZINC000801595632 1310571840 /nfs/dbraw/zinc/57/18/40/1310571840.db2.gz GRIDRKSVNCHUME-UHFFFAOYSA-N 1 0 325.474 2.819 20 10 EFCDRO CCCC[N@H+](CC(=O)NC(=O)NC(C)(C)C)Cc1ccccc1O ZINC000801594883 1310571413 /nfs/dbraw/zinc/57/14/13/1310571413.db2.gz BSRSFJGTAZRYCN-UHFFFAOYSA-N 1 0 335.448 2.619 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)C(F)F)C2)cc1C ZINC001047663260 1311053046 /nfs/dbraw/zinc/05/30/46/1311053046.db2.gz JQHRFNVSFFGAKA-TZMCWYRMSA-N 1 0 326.387 2.595 20 10 EFCDRO Oc1ccc(Br)cc1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222238055 1311103462 /nfs/dbraw/zinc/10/34/62/1311103462.db2.gz ZDGCVVYJSGTWHI-HNNXBMFYSA-N 1 0 325.250 2.873 20 10 EFCDRO Oc1c(CN2CCC[C@]23CCC[NH2+]C3)cc2c3c1CCCN3CCC2 ZINC001222243976 1311104466 /nfs/dbraw/zinc/10/44/66/1311104466.db2.gz RNVDBLPQRORGHL-NRFANRHFSA-N 1 0 341.499 2.809 20 10 EFCDRO CCOC(=O)c1c(CN2CC3(C2)CCC[NH2+]C3)c2ccccc2n1C ZINC001222339830 1311116781 /nfs/dbraw/zinc/11/67/81/1311116781.db2.gz HLNCHZKUFUZFLA-UHFFFAOYSA-N 1 0 341.455 2.540 20 10 EFCDRO Clc1cc(CN2CCC[C@]3(CCC[NH2+]3)C2)ccc1N1CCOCC1 ZINC001222353758 1311118149 /nfs/dbraw/zinc/11/81/49/1311118149.db2.gz GUWXLVYBGPTDKU-LJQANCHMSA-N 1 0 349.906 2.895 20 10 EFCDRO [NH3+]CC1(F)CC[NH+](Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001222542841 1311149689 /nfs/dbraw/zinc/14/96/89/1311149689.db2.gz LACHRFYVXSTNOY-UHFFFAOYSA-N 1 0 335.192 2.557 20 10 EFCDRO CC(C)(C)c1ccc(O)c(CN2CC[NH2+]C[C@]3(CCCCN3)C2)c1 ZINC001222684567 1311172735 /nfs/dbraw/zinc/17/27/35/1311172735.db2.gz IVOJGIXDNDGUAC-HXUWFJFHSA-N 1 0 331.504 2.607 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)c3cc[nH]c3)C2)cc1C ZINC001047859379 1311232448 /nfs/dbraw/zinc/23/24/48/1311232448.db2.gz NPFQTSXRMQHGMU-CRAIPNDOSA-N 1 0 341.455 2.972 20 10 EFCDRO CCN(C(=O)[C@H]1CC12CC[NH+](Cc1ccc(O)c(O)c1)CC2)C(C)C ZINC001276914631 1311296615 /nfs/dbraw/zinc/29/66/15/1311296615.db2.gz RVOVWHVOAKBSPK-MRXNPFEDSA-N 1 0 346.471 2.957 20 10 EFCDRO COc1ccc(N2CCC[C@@]3(CCC[N@H+](CCN(C)C)C3)C2)cc1 ZINC001276926101 1311311004 /nfs/dbraw/zinc/31/10/04/1311311004.db2.gz AHNKMBDZDDBVHJ-HXUWFJFHSA-N 1 0 331.504 2.939 20 10 EFCDRO CCOc1ccc(N2CCC3(C[NH+](CCn4ccnc4)C3)CC2)cc1 ZINC001276925702 1311311318 /nfs/dbraw/zinc/31/13/18/1311311318.db2.gz HOCLSQSFQVLUDA-UHFFFAOYSA-N 1 0 340.471 2.884 20 10 EFCDRO COc1ccc(N2CC[C@H]3C[N@H+](Cc4cccc(=O)[nH]4)C[C@H]32)cc1 ZINC001276928254 1311314354 /nfs/dbraw/zinc/31/43/54/1311314354.db2.gz YMLHYPKMZWEOHA-KBXCAEBGSA-N 1 0 325.412 2.507 20 10 EFCDRO Cc1cc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N(C)C)ccc1N(C)C ZINC001276929085 1311316588 /nfs/dbraw/zinc/31/65/88/1311316588.db2.gz JZHOYGSOBNEQIR-KCITZHQASA-N 1 0 329.488 2.654 20 10 EFCDRO Cc1cc(C[NH+]2CC3(C[C@H]3C(=O)NC(C)(C)C)C2)ccc1N(C)C ZINC001276929458 1311317719 /nfs/dbraw/zinc/31/77/19/1311317719.db2.gz XXLOEMWTCZAVFC-INIZCTEOSA-N 1 0 329.488 2.798 20 10 EFCDRO COc1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(=O)[nH]2)cc1F ZINC001277008930 1311454616 /nfs/dbraw/zinc/45/46/16/1311454616.db2.gz BZKBWPWUGFMLAL-IYBDPMFKSA-N 1 0 343.402 2.788 20 10 EFCDRO COc1ccc(N2CCC3(C[NH+](CCn4ccnc4)C3)CC2)cc1F ZINC001277009081 1311455504 /nfs/dbraw/zinc/45/55/04/1311455504.db2.gz FJRDLFGAGNZNFS-UHFFFAOYSA-N 1 0 344.434 2.633 20 10 EFCDRO CC[C@H]1CC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)O1 ZINC001159178275 1311467854 /nfs/dbraw/zinc/46/78/54/1311467854.db2.gz CIXZOLGJMYOXJU-WMZOPIPTSA-N 1 0 334.460 2.557 20 10 EFCDRO COc1ccc(N2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c(C)c1 ZINC001277018785 1311474383 /nfs/dbraw/zinc/47/43/83/1311474383.db2.gz PUKDVPLPLMXLHH-UHFFFAOYSA-N 1 0 326.444 2.829 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C(C)(F)F)C[C@@H]2C)cc1C ZINC001048115460 1311474423 /nfs/dbraw/zinc/47/44/23/1311474423.db2.gz XIXWAZLZWCQOAA-ZFWWWQNUSA-N 1 0 340.414 2.843 20 10 EFCDRO COCCOC[N@@H+]1CCC2(C1)CCN(c1ccc(OC)cc1C)CC2 ZINC001277018521 1311474464 /nfs/dbraw/zinc/47/44/64/1311474464.db2.gz LASMXZWDYVKIOS-UHFFFAOYSA-N 1 0 348.487 2.916 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)CSC)C[C@H]2C)cc1C ZINC001048122877 1311483556 /nfs/dbraw/zinc/48/35/56/1311483556.db2.gz CKFZGRLCNQZMNV-ZBFHGGJFSA-N 1 0 336.501 2.551 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)CSC)C[C@@H]2C)cc1C ZINC001048122876 1311483569 /nfs/dbraw/zinc/48/35/69/1311483569.db2.gz CKFZGRLCNQZMNV-HOCLYGCPSA-N 1 0 336.501 2.551 20 10 EFCDRO COc1ccc(N2CC[C@H]3C[N@H+](Cc4cc(C)nn4C)C[C@H]32)c(C)c1 ZINC001277022289 1311486161 /nfs/dbraw/zinc/48/61/61/1311486161.db2.gz LNSGQDMLAZAYNC-OXJNMPFZSA-N 1 0 340.471 2.756 20 10 EFCDRO COCC1(C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC001159393548 1311507952 /nfs/dbraw/zinc/50/79/52/1311507952.db2.gz IIZXPKHBJLEUMK-UHFFFAOYSA-N 1 0 348.487 2.806 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]2C)cc1C ZINC001048146970 1311509205 /nfs/dbraw/zinc/50/92/05/1311509205.db2.gz YGNWLTODCLQHGO-RDJZCZTQSA-N 1 0 341.455 2.830 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCO[C@H]2C(C)C)cc1C ZINC001159605974 1311550276 /nfs/dbraw/zinc/55/02/76/1311550276.db2.gz CHNNNBIQEJPUCW-HKUYNNGSSA-N 1 0 348.487 2.661 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(NC=C3CC[NH2+]CC3)c(O)cc21 ZINC001159649311 1311558128 /nfs/dbraw/zinc/55/81/28/1311558128.db2.gz PHWZJGPDDVYOBN-UHFFFAOYSA-N 1 0 334.375 2.847 20 10 EFCDRO Nc1cccc2c1C(=O)c1cccc(Nc3cncc(C[NH3+])c3)c1C2=O ZINC001159782884 1311583485 /nfs/dbraw/zinc/58/34/85/1311583485.db2.gz MGYOJOUETINNAZ-UHFFFAOYSA-N 1 0 344.374 2.642 20 10 EFCDRO [NH3+]Cc1cncc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)c1 ZINC001159785082 1311583980 /nfs/dbraw/zinc/58/39/80/1311583980.db2.gz XGKVTKUCDYLWHR-UHFFFAOYSA-N 1 0 345.358 2.765 20 10 EFCDRO O=C(c1cccc(Nc2ccc3c(c2)CCCN3)c1)N1CC[NH2+]CC1 ZINC001159988154 1311623027 /nfs/dbraw/zinc/62/30/27/1311623027.db2.gz CHSNZIOOEPSHSE-UHFFFAOYSA-N 1 0 336.439 2.834 20 10 EFCDRO O=C(Cc1cccc(F)c1)NCC[NH2+]Cc1c(O)cccc1Cl ZINC000113331543 1311729105 /nfs/dbraw/zinc/72/91/05/1311729105.db2.gz XKWZKTUGXDXORD-UHFFFAOYSA-N 1 0 336.794 2.633 20 10 EFCDRO Nc1ccc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)nc1 ZINC001160616085 1311746696 /nfs/dbraw/zinc/74/66/96/1311746696.db2.gz CJRUYECCNIEPEQ-RTBURBONSA-N 1 0 336.395 2.928 20 10 EFCDRO Nc1cccc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)n1 ZINC001160616568 1311747105 /nfs/dbraw/zinc/74/71/05/1311747105.db2.gz NKIUIHBRVQJWOA-RTBURBONSA-N 1 0 336.395 2.928 20 10 EFCDRO Nc1ccc(CC(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001160713313 1311765334 /nfs/dbraw/zinc/76/53/34/1311765334.db2.gz DRTHIHLWCRXIFO-UHFFFAOYSA-N 1 0 349.478 2.861 20 10 EFCDRO Cc1cc(C)c(CNc2ccc(OCC3CC[NH2+]CC3)nn2)c(O)c1 ZINC001160810975 1311786802 /nfs/dbraw/zinc/78/68/02/1311786802.db2.gz AXIDNANGMMOJOU-UHFFFAOYSA-N 1 0 342.443 2.790 20 10 EFCDRO CN(C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001277211124 1311809209 /nfs/dbraw/zinc/80/92/09/1311809209.db2.gz CGPMGUPWVFCAPT-LCLWPZTBSA-N 1 0 341.499 2.879 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]([NH3+])Cc1ccccc1F ZINC001161134817 1311866836 /nfs/dbraw/zinc/86/68/36/1311866836.db2.gz OZULGLHJJNWPLG-LJQANCHMSA-N 1 0 343.446 2.810 20 10 EFCDRO CC[C@H](C)[C@H](OC)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001161388413 1311875442 /nfs/dbraw/zinc/87/54/42/1311875442.db2.gz QOELRRNDBQJCSG-KSSFIOAISA-N 1 0 336.476 2.661 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)CCc2ccncc2)cc1C ZINC001161633862 1311936597 /nfs/dbraw/zinc/93/65/97/1311936597.db2.gz UGZLAZNKWJGVQZ-UHFFFAOYSA-N 1 0 341.455 2.627 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cc(Cl)cn2C)cc1C ZINC001162144611 1312056105 /nfs/dbraw/zinc/05/61/05/1312056105.db2.gz YBCCMVNSAZEASB-UHFFFAOYSA-N 1 0 349.862 2.905 20 10 EFCDRO CCOC(=O)C(=Cc1cc(C)c(C)nc1-n1cnc(C[NH3+])c1)N=[N+]=[N-] ZINC001162297181 1312083400 /nfs/dbraw/zinc/08/34/00/1312083400.db2.gz VQOCHPYVJRAMCI-NSIKDUERSA-N 1 0 341.375 2.557 20 10 EFCDRO O=C(NC1CCC(F)CC1)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC001277441204 1312175759 /nfs/dbraw/zinc/17/57/59/1312175759.db2.gz IZKRKPJSRHLIMS-GKSFYBEXSA-N 1 0 332.419 2.611 20 10 EFCDRO O=C([C@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1O)C2)N1CC=CC1 ZINC001277446339 1312191703 /nfs/dbraw/zinc/19/17/03/1312191703.db2.gz OECWULUONYTHNN-YLJYHZDGSA-N 1 0 326.440 2.783 20 10 EFCDRO CCN(C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cccc(OC)c1O)C(C)C ZINC001277452305 1312215823 /nfs/dbraw/zinc/21/58/23/1312215823.db2.gz RPZPLHVNCDRXAN-HNAYVOBHSA-N 1 0 332.444 2.622 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CCCC23CC3)c1O ZINC001277453930 1312228321 /nfs/dbraw/zinc/22/83/21/1312228321.db2.gz LBTRCVGNCMQQNI-MGPUTAFESA-N 1 0 342.439 2.520 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC3(CC[C@H](C(N)=O)C3)CC2)c1O ZINC001277454723 1312231642 /nfs/dbraw/zinc/23/16/42/1312231642.db2.gz YPGMNQSJIAITIE-AWEZNQCLSA-N 1 0 332.444 2.659 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CCCC23CC3)c(O)c1 ZINC001277456961 1312246998 /nfs/dbraw/zinc/24/69/98/1312246998.db2.gz KUIFQDHDFQOOBD-MGPUTAFESA-N 1 0 342.439 2.520 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cc(C3CC3)on2)cc1C ZINC001163492988 1312324909 /nfs/dbraw/zinc/32/49/09/1312324909.db2.gz ZLLGMWSKDZKQED-UHFFFAOYSA-N 1 0 343.427 2.779 20 10 EFCDRO CC(C)(C)NC(=O)C12CC([NH2+]Cc3ccc4c(c3)CCCO4)(C1)C2 ZINC001277505547 1312476286 /nfs/dbraw/zinc/47/62/86/1312476286.db2.gz GSZDUHCXFRDQTO-UHFFFAOYSA-N 1 0 328.456 2.939 20 10 EFCDRO COc1ccc(Br)c(CN2CCC[C@H]([NH+](C)C)C2)c1O ZINC001231552263 1312524622 /nfs/dbraw/zinc/52/46/22/1312524622.db2.gz CBSCNEYZOHOUBL-NSHDSACASA-N 1 0 343.265 2.689 20 10 EFCDRO COc1ccc(Br)c(C[N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c1O ZINC001231558152 1312525014 /nfs/dbraw/zinc/52/50/14/1312525014.db2.gz XRDJSUSRXDUIPN-GPCCPHFNSA-N 1 0 342.233 2.630 20 10 EFCDRO O=C([O-])c1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001231563235 1312525804 /nfs/dbraw/zinc/52/58/04/1312525804.db2.gz GKVHJGYXNRYDNC-QGZVFWFLSA-N 1 0 332.444 2.931 20 10 EFCDRO Oc1ccc2ccccc2c1CN1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001231589768 1312528643 /nfs/dbraw/zinc/52/86/43/1312528643.db2.gz QBPFATNYZOMWOV-QGZVFWFLSA-N 1 0 326.440 2.842 20 10 EFCDRO CCNC(=O)CO[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231590525 1312528864 /nfs/dbraw/zinc/52/88/64/1312528864.db2.gz GHCYXQJDYBMQHL-INIZCTEOSA-N 1 0 342.439 2.663 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231635449 1312535803 /nfs/dbraw/zinc/53/58/03/1312535803.db2.gz ZFLMFCHNFQGYAH-LBPRGKRZSA-N 1 0 339.388 2.632 20 10 EFCDRO COc1cc(CN2CC[NH+](C3CCC(C)CC3)CC2)c(O)cc1O ZINC001231636584 1312537040 /nfs/dbraw/zinc/53/70/40/1312537040.db2.gz QQTSXSRDEQRTDQ-UHFFFAOYSA-N 1 0 334.460 2.803 20 10 EFCDRO COc1cc(CN2CCC([NH+]3CCC(F)CC3)CC2)c(O)cc1O ZINC001231637598 1312537375 /nfs/dbraw/zinc/53/73/75/1312537375.db2.gz NSDFDAKAJKDPCG-UHFFFAOYSA-N 1 0 338.423 2.505 20 10 EFCDRO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CCCC34CC4)C2)c(O)c1 ZINC001277566034 1312565764 /nfs/dbraw/zinc/56/57/64/1312565764.db2.gz CGXDTRDUYYAUNV-OXQOHEQNSA-N 1 0 326.440 2.678 20 10 EFCDRO Cc1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N2CC=CC2)c(O)c1 ZINC001277568614 1312567891 /nfs/dbraw/zinc/56/78/91/1312567891.db2.gz SYULCMQHJUCFOB-LVFSCSRESA-N 1 0 326.440 2.603 20 10 EFCDRO CCOC(=O)c1cc2n(n1)CCC[N@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001231841854 1312573011 /nfs/dbraw/zinc/57/30/11/1312573011.db2.gz DTWYKEJIBKUNND-UHFFFAOYSA-N 1 0 343.427 2.788 20 10 EFCDRO Cc1cc(C)c(C[NH+]2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)c(O)c1 ZINC001231845107 1312573083 /nfs/dbraw/zinc/57/30/83/1312573083.db2.gz VLINMDMIFJEROD-ROUUACIJSA-N 1 0 337.467 2.968 20 10 EFCDRO Cc1cc(C)c(C[N@H+]2C[C@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c(O)c1 ZINC001231844906 1312573505 /nfs/dbraw/zinc/57/35/05/1312573505.db2.gz QMNBSCXPQCPCJY-IYBDPMFKSA-N 1 0 340.423 2.806 20 10 EFCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)c(O)c1 ZINC001231847797 1312573524 /nfs/dbraw/zinc/57/35/24/1312573524.db2.gz DSSHSUSAQRWCQV-MRXNPFEDSA-N 1 0 331.460 2.779 20 10 EFCDRO Cc1cc(C)c(C[NH+]2CCC(NC(=O)C3CCOCC3)CC2)c(O)c1 ZINC001231843859 1312573602 /nfs/dbraw/zinc/57/36/02/1312573602.db2.gz CBDITBGFMWAJQG-UHFFFAOYSA-N 1 0 346.471 2.516 20 10 EFCDRO Cc1cc(C)c(C[NH+]2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)c(O)c1 ZINC001231845057 1312573639 /nfs/dbraw/zinc/57/36/39/1312573639.db2.gz WPWWGAUUEFXGDY-RTBURBONSA-N 1 0 337.467 2.968 20 10 EFCDRO CCn1ncc2c1[C@H](COC)C[N@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001231844804 1312573746 /nfs/dbraw/zinc/57/37/46/1312573746.db2.gz RHMRCAGHRPTMTF-INIZCTEOSA-N 1 0 329.444 2.971 20 10 EFCDRO COc1cccnc1N1CC[NH+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231847853 1312573947 /nfs/dbraw/zinc/57/39/47/1312573947.db2.gz DXTSDTLVAFWZLW-UHFFFAOYSA-N 1 0 327.428 2.735 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](c2noc(C)n2)C1 ZINC001231848090 1312573975 /nfs/dbraw/zinc/57/39/75/1312573975.db2.gz GGXKQYHPHJNMQJ-OAHLLOKOSA-N 1 0 330.432 2.832 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001231849482 1312574065 /nfs/dbraw/zinc/57/40/65/1312574065.db2.gz UQLLIYWMZBXZKH-HNNXBMFYSA-N 1 0 332.366 2.508 20 10 EFCDRO CC[C@@H]1[N@H+](Cc2ccc(N(C)C)cc2OC)CCC[C@]12CCC(=O)N2 ZINC001231851698 1312574319 /nfs/dbraw/zinc/57/43/19/1312574319.db2.gz AUAMTAFVEZGKNP-ICSRJNTNSA-N 1 0 345.487 2.784 20 10 EFCDRO Cc1cc(C)c(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)c(O)c1 ZINC001231849935 1312574458 /nfs/dbraw/zinc/57/44/58/1312574458.db2.gz WXKAWSQYKLAFST-UHFFFAOYSA-N 1 0 338.451 2.896 20 10 EFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC001231854681 1312574928 /nfs/dbraw/zinc/57/49/28/1312574928.db2.gz KIZXTNYPGICJQW-UHFFFAOYSA-N 1 0 342.443 2.595 20 10 EFCDRO COc1cc(N(C)C)ccc1CN1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001231853142 1312575370 /nfs/dbraw/zinc/57/53/70/1312575370.db2.gz UQDAXQKDYBOOCQ-UHFFFAOYSA-N 1 0 329.488 2.679 20 10 EFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(N(C)C(=O)C(C)C)CC1 ZINC001231857705 1312575784 /nfs/dbraw/zinc/57/57/84/1312575784.db2.gz NRBGVKXEMVTKNW-UHFFFAOYSA-N 1 0 347.503 2.840 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@H+](C(C)C)[C@@H]1CCN(C(C)=O)C1 ZINC001231857255 1312575867 /nfs/dbraw/zinc/57/58/67/1312575867.db2.gz HJMYVXJXJVBFAD-GOSISDBHSA-N 1 0 333.476 2.592 20 10 EFCDRO Cc1cc(O)c(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1Cl ZINC001231869079 1312578483 /nfs/dbraw/zinc/57/84/83/1312578483.db2.gz HUPPBVVXNWVHEI-DLBZAZTESA-N 1 0 337.895 2.564 20 10 EFCDRO CCNC(=O)CO[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231880608 1312579706 /nfs/dbraw/zinc/57/97/06/1312579706.db2.gz KJDYKMYNOSDTHG-KRWDZBQOSA-N 1 0 342.439 2.663 20 10 EFCDRO C[NH+](C)CCCN1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC001231880322 1312579841 /nfs/dbraw/zinc/57/98/41/1312579841.db2.gz BUFMHUAFKLOXTG-UHFFFAOYSA-N 1 0 327.472 2.615 20 10 EFCDRO Oc1c(CN2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)ccc2ccccc21 ZINC001231881112 1312580039 /nfs/dbraw/zinc/58/00/39/1312580039.db2.gz UIYNSUQTFGJXIP-KDURUIRLSA-N 1 0 338.451 2.840 20 10 EFCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(O)CCC3(CC2)OCCO3)c(O)c1 ZINC000903373222 1312608635 /nfs/dbraw/zinc/60/86/35/1312608635.db2.gz TTZCEMSYUUQCIN-OAHLLOKOSA-N 1 0 335.444 2.708 20 10 EFCDRO OC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232194578 1312646007 /nfs/dbraw/zinc/64/60/07/1312646007.db2.gz KBEXSWNEWKFQFK-OAHLLOKOSA-N 1 0 338.879 2.771 20 10 EFCDRO O=C1CCC[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@H]12 ZINC001232204344 1312648527 /nfs/dbraw/zinc/64/85/27/1312648527.db2.gz LIUUDTCMNDVBCW-HOTGVXAUSA-N 1 0 348.874 2.978 20 10 EFCDRO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232259419 1312659925 /nfs/dbraw/zinc/65/99/25/1312659925.db2.gz YCXKHBBBALUJPH-LBPRGKRZSA-N 1 0 340.851 2.832 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CC[C@@]1(O)C(F)(F)F ZINC001232258957 1312660092 /nfs/dbraw/zinc/66/00/92/1312660092.db2.gz FKPZNVDYQGPPSY-OQPBUACISA-N 1 0 339.741 2.886 20 10 EFCDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232262816 1312660908 /nfs/dbraw/zinc/66/09/08/1312660908.db2.gz RIXUBNNLMCVRMI-NHCYSSNCSA-N 1 0 325.792 2.525 20 10 EFCDRO COc1cc(O)c(CN2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC001232266724 1312661575 /nfs/dbraw/zinc/66/15/75/1312661575.db2.gz XQPXDKXKUCQTQR-UHFFFAOYSA-N 1 0 333.819 2.771 20 10 EFCDRO CCOC(=O)C1(C)CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232269176 1312662764 /nfs/dbraw/zinc/66/27/64/1312662764.db2.gz XICHMUKIQPCCLI-UHFFFAOYSA-N 1 0 327.808 2.916 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(N3CC(F)C3)CC2)cc1Cl ZINC001232270259 1312663598 /nfs/dbraw/zinc/66/35/98/1312663598.db2.gz ZSDAXGVASPRMBT-UHFFFAOYSA-N 1 0 328.815 2.672 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]([NH2+]C/C=C/Cl)C2)cc1 ZINC001211346404 1314481137 /nfs/dbraw/zinc/48/11/37/1314481137.db2.gz OZPZFXKFVDKKLY-LDJQATITSA-N 1 0 349.822 2.796 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cncs3)C2)cc1C ZINC001020012035 1314568346 /nfs/dbraw/zinc/56/83/46/1314568346.db2.gz XBWWDIIXDPGAEE-HDJSIYSDSA-N 1 0 331.441 2.511 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3CC(F)(F)C3)C2)cc1C ZINC001020062304 1314594784 /nfs/dbraw/zinc/59/47/84/1314594784.db2.gz FZVUUUBPZLSZML-SHTZXODSSA-N 1 0 338.398 2.786 20 10 EFCDRO C[C@@H]1C[C@H](N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)CC[NH2+]1 ZINC001246343870 1314613395 /nfs/dbraw/zinc/61/33/95/1314613395.db2.gz SOEAZJTYFIWTBT-UYVJDWJCSA-N 1 0 341.455 2.569 20 10 EFCDRO CC[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)O1 ZINC001020207493 1314668816 /nfs/dbraw/zinc/66/88/16/1314668816.db2.gz HOUKARLOIQBTDA-YWTNHNAXSA-N 1 0 346.471 2.698 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3onc(C)c3C)C2)cc1C ZINC001020274945 1314700938 /nfs/dbraw/zinc/70/09/38/1314700938.db2.gz ZUKCOODZUARBRI-WKILWMFISA-N 1 0 343.427 2.659 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC3(F)F)C2)cc1C ZINC001020277683 1314701793 /nfs/dbraw/zinc/70/17/93/1314701793.db2.gz QNKAKSZASAWWGY-RBSFLKMASA-N 1 0 338.398 2.786 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[C@@H]3OC)C2)cc1C ZINC001020314465 1314727957 /nfs/dbraw/zinc/72/79/57/1314727957.db2.gz QKPKVBALPOJGHW-DWRORGKVSA-N 1 0 346.471 2.556 20 10 EFCDRO Cn1c(-c2ccc(N3CC[NH2+]CC3)cc2)nc2ccc(F)c(F)c21 ZINC001247041986 1314733841 /nfs/dbraw/zinc/73/38/41/1314733841.db2.gz SDZXVDXYNDUIDE-UHFFFAOYSA-N 1 0 328.366 2.928 20 10 EFCDRO CC(C)(C[NH2+]Cc1cc(-c2ccccc2)ccc1O)S(C)(=O)=O ZINC000749121649 1314793156 /nfs/dbraw/zinc/79/31/56/1314793156.db2.gz ZRPVTQQCOXUMAA-UHFFFAOYSA-N 1 0 333.453 2.972 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3C[NH2+]CC[C@@H]3O)n2)cc1 ZINC001247755052 1314834183 /nfs/dbraw/zinc/83/41/83/1314834183.db2.gz BVLQIRWZTFCMFV-IRXDYDNUSA-N 1 0 338.411 2.582 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(C3=NOC4(C[NH2+]C4)C3)n2)cc1 ZINC001247873017 1314858323 /nfs/dbraw/zinc/85/83/23/1314858323.db2.gz DOEMQOFMGKEMJW-UHFFFAOYSA-N 1 0 349.394 2.611 20 10 EFCDRO COc1cc(O)c(CN2CC[C@H]2C)cc1I ZINC001248462007 1314937091 /nfs/dbraw/zinc/93/70/91/1314937091.db2.gz JZVMGCWKKFNPKJ-MRVPVSSYSA-N 1 0 333.169 2.600 20 10 EFCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)cc1Cl ZINC001248880536 1314990945 /nfs/dbraw/zinc/99/09/45/1314990945.db2.gz KYDHYHVHPVDAMM-SWLSCSKDSA-N 1 0 327.852 2.518 20 10 EFCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CCOC[C@](C)(O)C2)cc1Cl ZINC001248881492 1314992144 /nfs/dbraw/zinc/99/21/44/1314992144.db2.gz XKXRBZOOKUNPQE-QGZVFWFLSA-N 1 0 327.852 2.926 20 10 EFCDRO COCC[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001216794176 1315008451 /nfs/dbraw/zinc/00/84/51/1315008451.db2.gz YUUMSXWSSSDPHC-QGPMSJSTSA-N 1 0 348.487 2.613 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCc3ccc(C)cc3C2)c(O)c1 ZINC001249173641 1315029386 /nfs/dbraw/zinc/02/93/86/1315029386.db2.gz USJVDEMAIZCRFG-UHFFFAOYSA-N 1 0 325.408 2.974 20 10 EFCDRO COC(=O)Cc1ccc(CN2CCC([NH+]3CCCCC3)CC2)c(O)c1 ZINC001249174185 1315029460 /nfs/dbraw/zinc/02/94/60/1315029460.db2.gz ZXBYRFANNCQMDW-UHFFFAOYSA-N 1 0 346.471 2.558 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)c(O)c1 ZINC001249201254 1315032913 /nfs/dbraw/zinc/03/29/13/1315032913.db2.gz MAOCTBDCYBDQOQ-KRWDZBQOSA-N 1 0 326.396 2.840 20 10 EFCDRO CC1(C)C=Cc2c(O)c(C[NH+]3CCC4(C[C@H](O)CO4)CC3)ccc2O1 ZINC001249230573 1315036029 /nfs/dbraw/zinc/03/60/29/1315036029.db2.gz LUCDJUDPVBADNG-HNNXBMFYSA-N 1 0 345.439 2.692 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000038635167 1315039480 /nfs/dbraw/zinc/03/94/80/1315039480.db2.gz LPGASSAFYXIODD-IBGZPJMESA-N 1 0 336.439 2.657 20 10 EFCDRO CC1(C)C=Cc2c(O)c(CN3CC(N4CC[C@H](F)C4)C3)ccc2O1 ZINC001249252449 1315039618 /nfs/dbraw/zinc/03/96/18/1315039618.db2.gz KFFIPAHXYSORDJ-AWEZNQCLSA-N 1 0 332.419 2.804 20 10 EFCDRO C[C@H](Cc1ccco1)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001318367115 1328566188 /nfs/dbraw/zinc/56/61/88/1328566188.db2.gz INRNVQCASYYKNT-OAHLLOKOSA-N 1 0 331.435 2.891 20 10 EFCDRO N[C@@H](CC1CC[NH2+]CC1)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217724962 1315106428 /nfs/dbraw/zinc/10/64/28/1315106428.db2.gz MQFDTJCTRQLJBD-KRWDZBQOSA-N 1 0 337.427 2.917 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3CCCC[NH2+]C3)ccc(O)c21 ZINC001217970267 1315127481 /nfs/dbraw/zinc/12/74/81/1315127481.db2.gz KDJWKNLZQRLZBR-LBPRGKRZSA-N 1 0 337.375 2.689 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CC[NH2+]CC[C@@H]3F)cccc21 ZINC001218013297 1315134244 /nfs/dbraw/zinc/13/42/44/1315134244.db2.gz AMEDZXBMNRSGEL-JKSUJKDBSA-N 1 0 339.366 2.931 20 10 EFCDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001218045878 1315138662 /nfs/dbraw/zinc/13/86/62/1315138662.db2.gz QCHDYDFNXDBVSD-IBGZPJMESA-N 1 0 339.395 2.551 20 10 EFCDRO C[C@@H]1C[C@@H](Oc2ccc(O)c3c2C(=O)c2ccccc2C3=O)CC[NH2+]1 ZINC001218056498 1315140800 /nfs/dbraw/zinc/14/08/00/1315140800.db2.gz OMSMGASPDDEBQX-NEPJUHHUSA-N 1 0 337.375 2.687 20 10 EFCDRO C[C@H]1C[C@@H](Oc2c(O)ccc3c2C(=O)c2ccccc2C3=O)CC[NH2+]1 ZINC001218058040 1315140804 /nfs/dbraw/zinc/14/08/04/1315140804.db2.gz VQDKPNXBHZJKKZ-RYUDHWBXSA-N 1 0 337.375 2.687 20 10 EFCDRO CC(C)(C)OC(=O)NCc1c[nH+]ccc1Nc1cc(N)ccc1O ZINC001249824043 1315143228 /nfs/dbraw/zinc/14/32/28/1315143228.db2.gz LRECAUSVBUTSFX-UHFFFAOYSA-N 1 0 330.388 2.560 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3CC[NH2+]C[C@@H]3F)ccc21 ZINC001218074458 1315143976 /nfs/dbraw/zinc/14/39/76/1315143976.db2.gz ZYFWFOYZRAQDDL-DLBZAZTESA-N 1 0 325.339 2.541 20 10 EFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@H]3C[C@H]4C[NH2+]C[C@H]4C3)cccc21 ZINC001218137527 1315154203 /nfs/dbraw/zinc/15/42/03/1315154203.db2.gz PVTYARHHANKSJP-CLLJXQQHSA-N 1 0 349.386 2.544 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2CC3(C2)CC[N@@H+](C)C3)c1 ZINC001276775564 1315161019 /nfs/dbraw/zinc/16/10/19/1315161019.db2.gz LEBJNHIKTRQVRW-UHFFFAOYSA-N 1 0 325.250 2.601 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CCC4(C[NH2+]C4)C3)cccc21 ZINC001218234575 1315168172 /nfs/dbraw/zinc/16/81/72/1315168172.db2.gz IDYOZIFDSLDMIK-CYBMUJFWSA-N 1 0 333.387 2.983 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3C[C@@H]4CC[NH2+][C@H]4C3)ccc21 ZINC001218248181 1315170494 /nfs/dbraw/zinc/17/04/94/1315170494.db2.gz DMAQYEOBNZRARQ-CFZJUORYSA-N 1 0 333.387 2.981 20 10 EFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3C[C@H]4CC[NH2+][C@@H]4C3)cccc21 ZINC001218247182 1315170587 /nfs/dbraw/zinc/17/05/87/1315170587.db2.gz PKWOQTZAQLYPPA-LALPHHSUSA-N 1 0 349.386 2.687 20 10 EFCDRO Oc1ccccc1C[NH+]1CC2(C1)CCN(Cc1nc3ccccc3[nH]1)C2 ZINC001278552866 1315174758 /nfs/dbraw/zinc/17/47/58/1315174758.db2.gz ZLWGYFCRTSZBAW-UHFFFAOYSA-N 1 0 348.450 2.976 20 10 EFCDRO Cc1cc(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(O)cc1Br ZINC001250132962 1315177344 /nfs/dbraw/zinc/17/73/44/1315177344.db2.gz GAFDVDRMHWAIPS-CZUORRHYSA-N 1 0 339.277 2.847 20 10 EFCDRO COc1c(C)c(O[C@H]2C=CC[NH2+]C2)cc2c1C(=O)c1ccccc1C2=O ZINC001218335055 1315180922 /nfs/dbraw/zinc/18/09/22/1315180922.db2.gz UDEXOCNYALMYON-ZDUSSCGKSA-N 1 0 349.386 2.686 20 10 EFCDRO CCOC(=O)[C@H]1CC[C@H](Oc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001218357822 1315184370 /nfs/dbraw/zinc/18/43/70/1315184370.db2.gz PCDACFNXLCYCMO-JCNLHEQBSA-N 1 0 332.444 2.597 20 10 EFCDRO CCOC(=O)[C@@H]1CCC[C@@H](Oc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218390666 1315188719 /nfs/dbraw/zinc/18/87/19/1315188719.db2.gz MQCDBXNTFRWKPO-CRAIPNDOSA-N 1 0 332.444 2.597 20 10 EFCDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1cccc2c1C(=O)c1c(O)cccc1C2=O ZINC001218419516 1315193188 /nfs/dbraw/zinc/19/31/88/1315193188.db2.gz NOWWQBBDHJBWBH-IAQYHMDHSA-N 1 0 337.375 2.544 20 10 EFCDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1cccc2c1C(=O)c1c(O)cccc1C2=O ZINC001218419517 1315193405 /nfs/dbraw/zinc/19/34/05/1315193405.db2.gz NOWWQBBDHJBWBH-NHYWBVRUSA-N 1 0 337.375 2.544 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3C[NH2+]CCC3(F)F)cccc21 ZINC001218448245 1315197490 /nfs/dbraw/zinc/19/74/90/1315197490.db2.gz NPQPKELIJDEPGQ-OAHLLOKOSA-N 1 0 343.329 2.838 20 10 EFCDRO O=C1c2cccc(O[C@@H]3CC[C@H]4C[NH2+]C[C@@H]43)c2C(=O)c2cccc(O)c21 ZINC001218458419 1315199539 /nfs/dbraw/zinc/19/95/39/1315199539.db2.gz AWMOHIDQQYEQBZ-HZUKXOBISA-N 1 0 349.386 2.544 20 10 EFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3CC[C@H]4C[NH2+]C[C@H]43)cccc21 ZINC001218473855 1315201752 /nfs/dbraw/zinc/20/17/52/1315201752.db2.gz SBCXFJXYBLTMHP-SGIREYDYSA-N 1 0 349.386 2.544 20 10 EFCDRO COc1ccc2c(c1O[C@@H]1C[C@H]3C[NH2+][C@@H]1C3)C(=O)c1ccccc1C2=O ZINC001218491117 1315204803 /nfs/dbraw/zinc/20/48/03/1315204803.db2.gz HWDFUZCQMFDMAL-UXEPBGEESA-N 1 0 349.386 2.600 20 10 EFCDRO N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001218581097 1315217558 /nfs/dbraw/zinc/21/75/58/1315217558.db2.gz DWYAALWSCXTBGN-YOKATUESSA-N 1 0 342.378 2.553 20 10 EFCDRO COc1cc(-c2nc3cc4c(cc3[nH]2)CCO4)cc(C[NH+](C)C)c1O ZINC001250767266 1315261720 /nfs/dbraw/zinc/26/17/20/1315261720.db2.gz WXDPUJGAOGZSDH-UHFFFAOYSA-N 1 0 339.395 2.941 20 10 EFCDRO Cc1cc(C)c(C[NH2+]C[C@@H](O)COc2ccc(F)cc2F)c(O)c1 ZINC001250885420 1315288439 /nfs/dbraw/zinc/28/84/39/1315288439.db2.gz KIIBWTCUAOCCQW-CQSZACIVSA-N 1 0 337.366 2.817 20 10 EFCDRO CCc1ccc(C[NH+]2CCC3(CN(C(=O)NC(C)C)C3)CC2)c(O)c1 ZINC001276805435 1315318381 /nfs/dbraw/zinc/31/83/81/1315318381.db2.gz XFLIKRYSJQILGV-UHFFFAOYSA-N 1 0 345.487 2.970 20 10 EFCDRO COc1cc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2ccc[nH]2)c(O)c1 ZINC001276806180 1315327013 /nfs/dbraw/zinc/32/70/13/1315327013.db2.gz KCEGTDNBTGXHDR-CALCHBBNSA-N 1 0 341.455 2.886 20 10 EFCDRO COc1cc(C)c(CN2C[C@@H]3C[N@H+](C4CCCC4)C[C@H](C2)O3)c(O)c1 ZINC001276807121 1315336578 /nfs/dbraw/zinc/33/65/78/1315336578.db2.gz ZSGIZFHXVCOBBW-HDICACEKSA-N 1 0 346.471 2.537 20 10 EFCDRO C[C@@H]1CCC[NH2+][C@@H]1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212811 1315385775 /nfs/dbraw/zinc/38/57/75/1315385775.db2.gz XGRXECGMIWWRBU-YGRLFVJLSA-N 1 0 333.819 2.598 20 10 EFCDRO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212868 1315385951 /nfs/dbraw/zinc/38/59/51/1315385951.db2.gz ZNJJWCZVQHWXHQ-CMPLNLGQSA-N 1 0 333.819 2.598 20 10 EFCDRO C[C@H](O)C[NH+]1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001251964396 1315396282 /nfs/dbraw/zinc/39/62/82/1315396282.db2.gz JLQLLQBEFPIBSX-HNNXBMFYSA-N 1 0 337.423 2.998 20 10 EFCDRO CCOc1ccc(CN2CC3(CCN3Cc3ccc[nH]3)C2)c(O)c1 ZINC001276814032 1315422856 /nfs/dbraw/zinc/42/28/56/1315422856.db2.gz BCYMQNDKPUISJR-UHFFFAOYSA-N 1 0 327.428 2.579 20 10 EFCDRO CC[C@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039060599 1315433611 /nfs/dbraw/zinc/43/36/11/1315433611.db2.gz LXEGPYOEYWTOBR-SWLSCSKDSA-N 1 0 331.420 2.699 20 10 EFCDRO CC(C)c1ccc(C[NH+]2CC3(C2)CCN(Cc2cn[nH]c2)C3)c(O)c1 ZINC001276815570 1315441618 /nfs/dbraw/zinc/44/16/18/1315441618.db2.gz WMNSADICJZIUIW-UHFFFAOYSA-N 1 0 340.471 2.947 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@H]3CN(Cc4ccc[nH]4)C[C@H]32)c(O)c1 ZINC001276815715 1315444511 /nfs/dbraw/zinc/44/45/11/1315444511.db2.gz YLEJKWIQYHIVNI-HNAYVOBHSA-N 1 0 341.455 2.825 20 10 EFCDRO CCOc1ccc(CN2CC3(C2)CC[N@H+](Cc2ccc[nH]2)C3)c(O)c1 ZINC001276815761 1315444747 /nfs/dbraw/zinc/44/47/47/1315444747.db2.gz ZLPXIWWYCCGBOC-UHFFFAOYSA-N 1 0 341.455 2.827 20 10 EFCDRO CC(C)OC[C@H](O)CNc1ccccc1OCC1CC[NH+](C)CC1 ZINC001252687787 1315487419 /nfs/dbraw/zinc/48/74/19/1315487419.db2.gz FPXBAZOWZVNUSI-QGZVFWFLSA-N 1 0 336.476 2.605 20 10 EFCDRO COc1ccc(OC[C@H](O)C[NH2+]Cc2c(C)cc(C)cc2O)cc1 ZINC001252740896 1315498279 /nfs/dbraw/zinc/49/82/79/1315498279.db2.gz LVDUOYUXWXFVFP-OAHLLOKOSA-N 1 0 331.412 2.547 20 10 EFCDRO CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(O)c(O)c2)cc1 ZINC001252764777 1315503774 /nfs/dbraw/zinc/50/37/74/1315503774.db2.gz FMQIVPWWNKONPT-INIZCTEOSA-N 1 0 345.439 2.925 20 10 EFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)c(C)c1 ZINC001252848342 1315515612 /nfs/dbraw/zinc/51/56/12/1315515612.db2.gz OATOXHJMUSPBFJ-HXUWFJFHSA-N 1 0 344.430 2.998 20 10 EFCDRO CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001054246115 1315517561 /nfs/dbraw/zinc/51/75/61/1315517561.db2.gz OBCRRGLQIODBCK-GOSISDBHSA-N 1 0 343.431 2.797 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3ccccn3)C[C@H]2C)cc1C ZINC001054327599 1315537647 /nfs/dbraw/zinc/53/76/47/1315537647.db2.gz BBUXYKIPBMRELN-QAPCUYQASA-N 1 0 339.439 2.649 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000827007751 1315578350 /nfs/dbraw/zinc/57/83/50/1315578350.db2.gz AVICICCFZKIOLU-JOCHJYFZSA-N 1 0 349.478 2.834 20 10 EFCDRO CCCCC[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001253541313 1315613573 /nfs/dbraw/zinc/61/35/73/1315613573.db2.gz KXFSDYSDTRXPBM-MRXNPFEDSA-N 1 0 336.476 2.767 20 10 EFCDRO C[C@@H]([NH2+]C[C@@](C)(O)C(=O)OCc1ccccc1)c1ccccc1O ZINC001253652844 1315623839 /nfs/dbraw/zinc/62/38/39/1315623839.db2.gz FWAJOGUAQGBBIC-AUUYWEPGSA-N 1 0 329.396 2.537 20 10 EFCDRO Cc1cc(C)c(C[NH2+]C[C@@](C)(O)C(=O)OCc2ccccc2)c(O)c1 ZINC001253660490 1315625108 /nfs/dbraw/zinc/62/51/08/1315625108.db2.gz GYKCRMOZKKVVBT-HXUWFJFHSA-N 1 0 343.423 2.593 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@](C)(O)C(=O)OCc2ccccc2)cc1C ZINC001253660134 1315625150 /nfs/dbraw/zinc/62/51/50/1315625150.db2.gz GNZBRVWNWOIQNE-HXUWFJFHSA-N 1 0 343.423 2.588 20 10 EFCDRO CCOC(=O)C[C@H](O)C[NH2+][C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001253813716 1315641398 /nfs/dbraw/zinc/64/13/98/1315641398.db2.gz DGDUJQBUDYEJOH-SCLBCKFNSA-N 1 0 335.444 2.536 20 10 EFCDRO COc1cccc(OC[C@H](O)C[NH2+]Cc2c(C)cc(C)cc2O)c1 ZINC001253978276 1315660325 /nfs/dbraw/zinc/66/03/25/1315660325.db2.gz OOXNBXMWRQKQOC-OAHLLOKOSA-N 1 0 331.412 2.547 20 10 EFCDRO c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC001253997257 1315663427 /nfs/dbraw/zinc/66/34/27/1315663427.db2.gz MPIUSNFROCKHDO-FQEVSTJZSA-N 1 0 329.488 2.583 20 10 EFCDRO c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC001253997258 1315663627 /nfs/dbraw/zinc/66/36/27/1315663627.db2.gz MPIUSNFROCKHDO-HXUWFJFHSA-N 1 0 329.488 2.583 20 10 EFCDRO CN1CCN(c2ccc(C[N@@H+]3CCC4(C3)CCOCC4)cc2F)CC1 ZINC001254019385 1315665895 /nfs/dbraw/zinc/66/58/95/1315665895.db2.gz RRLQAHZSVQILIF-UHFFFAOYSA-N 1 0 347.478 2.580 20 10 EFCDRO c1cn(C[C@@H]2CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)nn1 ZINC001254039338 1315668139 /nfs/dbraw/zinc/66/81/39/1315668139.db2.gz BQESOHCMWKMNIV-GOSISDBHSA-N 1 0 325.460 2.791 20 10 EFCDRO c1cn(C[C@H]2CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)nn1 ZINC001254039339 1315668874 /nfs/dbraw/zinc/66/88/74/1315668874.db2.gz BQESOHCMWKMNIV-SFHVURJKSA-N 1 0 325.460 2.791 20 10 EFCDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001254184255 1315678946 /nfs/dbraw/zinc/67/89/46/1315678946.db2.gz MKRAWDGBOHTTTM-OAHLLOKOSA-N 1 0 337.483 2.871 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1)c1ccccc1O ZINC001254234844 1315685622 /nfs/dbraw/zinc/68/56/22/1315685622.db2.gz MKVYBABETQLMNI-CHWSQXEVSA-N 1 0 334.416 2.969 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C(=O)C2)cc1 ZINC001254235597 1315685878 /nfs/dbraw/zinc/68/58/78/1315685878.db2.gz AEFVMRFUIVUNEN-OAHLLOKOSA-N 1 0 347.459 2.768 20 10 EFCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CC2CCN(CC2)C1 ZINC001254846864 1315749490 /nfs/dbraw/zinc/74/94/90/1315749490.db2.gz WTYNSJZQKRANOK-AWEZNQCLSA-N 1 0 325.250 2.729 20 10 EFCDRO COc1ccc(N2CC[NH+](C3C[C@H]4CC(=O)C[C@@H]4C3)CC2)c(OC)c1 ZINC001254963638 1315766329 /nfs/dbraw/zinc/76/63/29/1315766329.db2.gz KUGUUXDZDJYPHM-GJZGRUSLSA-N 1 0 344.455 2.584 20 10 EFCDRO CCOC(=O)[C@H]1CCC[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001255375693 1315812288 /nfs/dbraw/zinc/81/22/88/1315812288.db2.gz BYQUCYXRNWHJER-GOEBONIOSA-N 1 0 333.428 2.968 20 10 EFCDRO COC[C@@H](C)[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001255579918 1315842764 /nfs/dbraw/zinc/84/27/64/1315842764.db2.gz WGNVUFYCIVQXLW-QGZVFWFLSA-N 1 0 341.455 2.818 20 10 EFCDRO Cc1cc(C)c(C[NH2+]C2CCN(C(=O)C(F)(F)F)CC2)c(O)c1 ZINC001255978022 1315888698 /nfs/dbraw/zinc/88/86/98/1315888698.db2.gz VGVFAVXCVYCROB-UHFFFAOYSA-N 1 0 330.350 2.652 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)C2CCN(C(=O)C(F)(F)F)CC2)cc1 ZINC001255987834 1315889363 /nfs/dbraw/zinc/88/93/63/1315889363.db2.gz CZKVYSGHBLVSLT-UHFFFAOYSA-N 1 0 343.393 2.738 20 10 EFCDRO CCOC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001256039722 1315894668 /nfs/dbraw/zinc/89/46/68/1315894668.db2.gz MCPFHEZLGWBNES-SFHVURJKSA-N 1 0 331.460 2.949 20 10 EFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C1CCS(=O)(=O)CC1 ZINC001256385165 1315934168 /nfs/dbraw/zinc/93/41/68/1315934168.db2.gz PMVDXSLUDOTXKY-KRWDZBQOSA-N 1 0 337.485 2.799 20 10 EFCDRO C[C@H](Cc1ccncc1)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001256727759 1315985848 /nfs/dbraw/zinc/98/58/48/1315985848.db2.gz DQCXTGJWAUEQPR-MRXNPFEDSA-N 1 0 325.456 2.972 20 10 EFCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCN(c3ccc(OC)cc3C)CC2)C1 ZINC001257067205 1316028983 /nfs/dbraw/zinc/02/89/83/1316028983.db2.gz DESHIQCWPVYCHF-IAGOWNOFSA-N 1 0 346.471 2.857 20 10 EFCDRO CN1CCCc2cc(CNC(=O)[C@]3(c4ccccc4)CC[NH2+]C3)ccc21 ZINC000827913609 1316031855 /nfs/dbraw/zinc/03/18/55/1316031855.db2.gz DHEIWUHSAFTRTP-JOCHJYFZSA-N 1 0 349.478 2.617 20 10 EFCDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001318501585 1328621656 /nfs/dbraw/zinc/62/16/56/1328621656.db2.gz BQWIZOASNRSQEO-OALUTQOASA-N 1 0 344.503 2.959 20 10 EFCDRO COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](O)c2ccc(O)c(O)c2)cc1 ZINC001258389267 1316147448 /nfs/dbraw/zinc/14/74/48/1316147448.db2.gz RMBBIRDQWPYBEV-BFUOFWGJSA-N 1 0 331.412 2.751 20 10 EFCDRO Oc1ccc([C@@H](O)C[NH2+]C2CCN(c3cccc(F)c3)CC2)cc1O ZINC001258409896 1316149520 /nfs/dbraw/zinc/14/95/20/1316149520.db2.gz JKABIYRTQOMORP-IBGZPJMESA-N 1 0 346.402 2.529 20 10 EFCDRO C[C@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[N@@H+]1CC1CC1 ZINC001072103352 1316358606 /nfs/dbraw/zinc/35/86/06/1316358606.db2.gz XRJAOUSKDXQUHR-LRDDRELGSA-N 1 0 343.431 2.842 20 10 EFCDRO CCCNC(=O)CCC[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001261360800 1316406901 /nfs/dbraw/zinc/40/69/01/1316406901.db2.gz XCAFDACZOKILGE-UHFFFAOYSA-N 1 0 333.476 2.514 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2N(C)C)cc1Cn1cccn1 ZINC001261902858 1316436905 /nfs/dbraw/zinc/43/69/05/1316436905.db2.gz FNRRRFOWHKJIIR-OALUTQOASA-N 1 0 342.487 2.902 20 10 EFCDRO CC(=O)OC[C@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC001262360066 1316463671 /nfs/dbraw/zinc/46/36/71/1316463671.db2.gz UIFXYSYPYXXWDB-LBPRGKRZSA-N 1 0 342.386 2.798 20 10 EFCDRO Nc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC001262487972 1316469341 /nfs/dbraw/zinc/46/93/41/1316469341.db2.gz LZOCSSBEZXJEFI-UHFFFAOYSA-N 1 0 327.403 2.802 20 10 EFCDRO [NH3+]Cc1nccnc1NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC001262682139 1316480103 /nfs/dbraw/zinc/48/01/03/1316480103.db2.gz NQXLEEOQJKNDOP-UHFFFAOYSA-N 1 0 349.385 2.618 20 10 EFCDRO C[C@@H](NC(=O)NC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1O ZINC001263283005 1316526503 /nfs/dbraw/zinc/52/65/03/1316526503.db2.gz OGDTZJRGVSTRRY-CQSZACIVSA-N 1 0 340.427 2.816 20 10 EFCDRO CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001041850126 1316735123 /nfs/dbraw/zinc/73/51/23/1316735123.db2.gz FDJWERWZHQYRQP-GOSISDBHSA-N 1 0 343.431 2.797 20 10 EFCDRO Oc1cc2ccccc2cc1C[NH+]1CC2(CCN2CCn2ccnc2)C1 ZINC001279667109 1317351841 /nfs/dbraw/zinc/35/18/41/1317351841.db2.gz OZWCKZKGMCCPSB-UHFFFAOYSA-N 1 0 348.450 2.702 20 10 EFCDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1(C)C ZINC001318802833 1328705065 /nfs/dbraw/zinc/70/50/65/1328705065.db2.gz AGSVJBBYACIYLF-ICSRJNTNSA-N 1 0 349.494 2.871 20 10 EFCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CCS1 ZINC001319711899 1328959611 /nfs/dbraw/zinc/95/96/11/1328959611.db2.gz KAERGJUXDKSDQQ-MRXNPFEDSA-N 1 0 337.508 2.905 20 10 EFCDRO COc1cccc(O)c1C[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001319973139 1329046530 /nfs/dbraw/zinc/04/65/30/1329046530.db2.gz NBJNIUWCJASPRH-INIZCTEOSA-N 1 0 340.423 2.795 20 10 EFCDRO CN1CCN(c2ccc(C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)cc2F)CC1 ZINC001319947785 1329042152 /nfs/dbraw/zinc/04/21/52/1329042152.db2.gz DMXSKKFSNYPLJZ-YLJYHZDGSA-N 1 0 347.478 2.578 20 10 EFCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C(=O)NCC(F)(F)F ZINC001320130177 1329092670 /nfs/dbraw/zinc/09/26/70/1329092670.db2.gz JLPDVUPPZPHTFP-KHQFGBGNSA-N 1 0 334.313 2.736 20 10 EFCDRO C[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C(=O)NCC(F)(F)F ZINC001320131474 1329092702 /nfs/dbraw/zinc/09/27/02/1329092702.db2.gz SCRIKDSLKICVBP-QWRGUYRKSA-N 1 0 344.377 2.989 20 10 EFCDRO CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC001320469521 1329139418 /nfs/dbraw/zinc/13/94/18/1329139418.db2.gz DKJLVBSKQGHKJW-CYBMUJFWSA-N 1 0 327.808 2.972 20 10 EFCDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccco2)Cc2ccccc2O)n1 ZINC000747959472 1324592746 /nfs/dbraw/zinc/59/27/46/1324592746.db2.gz PVIUTMTXXRURES-UHFFFAOYSA-N 1 0 342.355 2.792 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](CCC(=O)[O-])C3)cc2)CC1 ZINC000901553553 1324747069 /nfs/dbraw/zinc/74/70/69/1324747069.db2.gz MIDQVJKDVBSZGS-QGZVFWFLSA-N 1 0 345.487 2.515 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CCC(=O)[O-])C3)cc2)CC1 ZINC000901553552 1324747332 /nfs/dbraw/zinc/74/73/32/1324747332.db2.gz MIDQVJKDVBSZGS-KRWDZBQOSA-N 1 0 345.487 2.515 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC(=O)NCC(C)C)c1O ZINC001320765310 1329183231 /nfs/dbraw/zinc/18/32/31/1329183231.db2.gz WYQYFQXSNVUYML-NSHDSACASA-N 1 0 343.265 2.886 20 10 EFCDRO CC(C)CCC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000904036425 1324860749 /nfs/dbraw/zinc/86/07/49/1324860749.db2.gz MGZPAKBLQUDWGH-LJQANCHMSA-N 1 0 347.503 2.808 20 10 EFCDRO CN1CCCc2cc(CNC(=O)c3ccn(-c4cc[nH+]cc4)n3)ccc21 ZINC001320813509 1329305646 /nfs/dbraw/zinc/30/56/46/1329305646.db2.gz QAXXSMNZCUREAI-UHFFFAOYSA-N 1 0 347.422 2.580 20 10 EFCDRO CO[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@H](C)C1 ZINC001321674077 1329402478 /nfs/dbraw/zinc/40/24/78/1329402478.db2.gz KXGSZTXTLXOFSH-WBVHZDCISA-N 1 0 335.467 2.577 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001321720907 1329405098 /nfs/dbraw/zinc/40/50/98/1329405098.db2.gz PRSYXLCEAYLBQR-RCBQFDQVSA-N 1 0 335.448 2.634 20 10 EFCDRO CCOC(=O)COc1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1 ZINC001323741507 1329567338 /nfs/dbraw/zinc/56/73/38/1329567338.db2.gz URPQYUHWUKGFPT-UHFFFAOYSA-N 1 0 345.395 2.633 20 10 EFCDRO CCOc1ccc2c(c1)C[N@@H+](Cc1cc3c(cc1O)OC[C@H]3O)CC2 ZINC001324716452 1329653536 /nfs/dbraw/zinc/65/35/36/1329653536.db2.gz KIHMCOUWOHXNCN-LJQANCHMSA-N 1 0 341.407 2.775 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ccc([S@@](C)=O)cc3)cc2)CC1 ZINC001325276825 1329678050 /nfs/dbraw/zinc/67/80/50/1329678050.db2.gz BJYWZGIGPZLDGM-XMMPIXPASA-N 1 0 343.496 2.788 20 10 EFCDRO C[NH2+]Cc1cccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001325626349 1329702319 /nfs/dbraw/zinc/70/23/19/1329702319.db2.gz OREPEDRBIPMBAA-UHFFFAOYSA-N 1 0 342.462 2.909 20 10 EFCDRO C[NH2+]C[C@H](C)CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001326115067 1329733540 /nfs/dbraw/zinc/73/35/40/1329733540.db2.gz BMTOOZQIUPLYKZ-INIZCTEOSA-N 1 0 332.492 2.578 20 10 EFCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)CC(C)C ZINC001326138345 1329734626 /nfs/dbraw/zinc/73/46/26/1329734626.db2.gz NWJMDAWJJYZSBE-QGZVFWFLSA-N 1 0 337.483 2.728 20 10 EFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H]([NH3+])C3CCCCC3)C2)cc1 ZINC001326315729 1329746731 /nfs/dbraw/zinc/74/67/31/1329746731.db2.gz BNDBGCOSJHGTFR-DNVCBOLYSA-N 1 0 345.487 2.545 20 10 EFCDRO COC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326450676 1329757801 /nfs/dbraw/zinc/75/78/01/1329757801.db2.gz AXHXKSICNMDWEQ-QGZVFWFLSA-N 1 0 335.467 2.578 20 10 EFCDRO C[NH2+]C[C@@H](C)CNC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001326606882 1330326919 /nfs/dbraw/zinc/32/69/19/1330326919.db2.gz QJNIZQNISONUEL-CQSZACIVSA-N 1 0 343.471 2.500 20 10 EFCDRO CCCC[N@H+](CCCO)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001327437897 1330478338 /nfs/dbraw/zinc/47/83/38/1330478338.db2.gz XYGUSFXRAMNKMX-UHFFFAOYSA-N 1 0 337.483 2.562 20 10 EFCDRO COC1([C@@H](C)[NH2+]Cc2ccc(Br)cc2O)CCOCC1 ZINC001328759139 1330627205 /nfs/dbraw/zinc/62/72/05/1330627205.db2.gz LNTFUWJWKVULSN-LLVKDONJSA-N 1 0 344.249 2.828 20 10 EFCDRO CCn1nc(C(C)C)cc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001329300048 1330691667 /nfs/dbraw/zinc/69/16/67/1330691667.db2.gz NZRJUAMUYYDAKI-INIZCTEOSA-N 1 0 343.475 2.522 20 10 EFCDRO COc1ccc(N2CCCN(C(=O)CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001331049155 1330788672 /nfs/dbraw/zinc/78/86/72/1330788672.db2.gz KGNDQDXFLNMUNX-QGZVFWFLSA-N 1 0 345.487 2.514 20 10 EFCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H](C(C)(C)O)C3)cc2F)CC1 ZINC001331084169 1330793021 /nfs/dbraw/zinc/79/30/21/1330793021.db2.gz VLOZLWMNSWLJKK-KRWDZBQOSA-N 1 0 349.494 2.560 20 10 EFCDRO COc1cc(C)cc(C[NH+]2CCC(CN3CCCCC3=O)CC2)c1O ZINC001331552572 1330852054 /nfs/dbraw/zinc/85/20/54/1330852054.db2.gz HZVSNLTXVTYECQ-UHFFFAOYSA-N 1 0 346.471 2.934 20 10 EFCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC001331579776 1330855727 /nfs/dbraw/zinc/85/57/27/1330855727.db2.gz KRMJFDQJLWUNBP-HNNXBMFYSA-N 1 0 326.396 2.992 20 10 EFCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CC(c2ccc(C)cc2)=NO1 ZINC001331579779 1330855736 /nfs/dbraw/zinc/85/57/36/1330855736.db2.gz KRMJFDQJLWUNBP-OAHLLOKOSA-N 1 0 326.396 2.992 20 10 EFCDRO COCC[N@H+]1[C@H](C)CN(Cc2ccc(N3CCCC3)cc2)C[C@@H]1C ZINC001332432412 1330971254 /nfs/dbraw/zinc/97/12/54/1330971254.db2.gz XJHVMKYHGTVYJZ-HDICACEKSA-N 1 0 331.504 2.828 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCC[C@H](F)C3)cc2)CC1 ZINC001333488632 1331154150 /nfs/dbraw/zinc/15/41/50/1331154150.db2.gz JFIZTLNIESTSDE-IRXDYDNUSA-N 1 0 348.466 2.518 20 10 EFCDRO C[C@@H]1CCCN(C(=O)NCCCSc2nccs2)[C@H]1CC[NH3+] ZINC001335538784 1331369864 /nfs/dbraw/zinc/36/98/64/1331369864.db2.gz CBFIEMQUAXCMQU-OLZOCXBDSA-N 1 0 342.534 2.784 20 10 EFCDRO C[C@H](NC(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccccc1O ZINC001336211210 1331446662 /nfs/dbraw/zinc/44/66/62/1331446662.db2.gz PQONQNSTWAXCGN-DKICVRJWSA-N 1 0 339.439 2.812 20 10 EFCDRO CCn1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c(C)n1 ZINC001336707337 1331494539 /nfs/dbraw/zinc/49/45/39/1331494539.db2.gz KPLSXWCREPPCLS-UHFFFAOYSA-N 1 0 346.450 2.601 20 10 EFCDRO C[C@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)C[N@@H+]1Cc1ccccc1 ZINC001337016631 1331527915 /nfs/dbraw/zinc/52/79/15/1331527915.db2.gz RVGVSPGZZVOEJO-KXBFYZLASA-N 1 0 338.455 2.731 20 10 EFCDRO CC[C@@H]([NH2+][C@H](C)C(=O)NCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC001337294850 1331558352 /nfs/dbraw/zinc/55/83/52/1331558352.db2.gz TXDIQFQPGYSVIH-BXUZGUMPSA-N 1 0 331.382 2.860 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCOC(C)(C)C2)[NH+](C)C)cc1 ZINC001337459716 1331577173 /nfs/dbraw/zinc/57/71/73/1331577173.db2.gz RPOVJKDWOYJERX-WMZOPIPTSA-N 1 0 347.503 2.677 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c1O ZINC001338250121 1331679458 /nfs/dbraw/zinc/67/94/58/1331679458.db2.gz KAQVCFPTJPYIPC-HNNXBMFYSA-N 1 0 329.444 2.897 20 10 EFCDRO CCOc1cccc(CN2CCC([NH2+]C3CCOCC3)CC2)c1O ZINC001338311411 1331689976 /nfs/dbraw/zinc/68/99/76/1331689976.db2.gz YFNYTLNRBIJEGK-UHFFFAOYSA-N 1 0 334.460 2.524 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(N)cc1 ZINC001338580605 1331717833 /nfs/dbraw/zinc/71/78/33/1331717833.db2.gz AUPSQVBNZKDCRA-HNAYVOBHSA-N 1 0 338.455 2.589 20 10 EFCDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001338734680 1331731210 /nfs/dbraw/zinc/73/12/10/1331731210.db2.gz FDCFWCYZCZDPGM-GUXCAODWSA-N 1 0 349.494 2.559 20 10 EFCDRO COc1ccc(N2CCC(NC(=O)[C@@](C)(C[NH3+])CC(C)C)CC2)cc1 ZINC001340203821 1332152949 /nfs/dbraw/zinc/15/29/49/1332152949.db2.gz AXDZEBBGAZEMOM-HXUWFJFHSA-N 1 0 347.503 2.791 20 10 EFCDRO O=C(NCc1c(O)ccc2c1CCCC2)C1(C2CC[NH2+]CC2)CC1 ZINC001340232498 1332158427 /nfs/dbraw/zinc/15/84/27/1332158427.db2.gz HVUJUDQMVREYAW-UHFFFAOYSA-N 1 0 328.456 2.667 20 10 EFCDRO CCn1c(C2SC=CC2=O)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001340901704 1332219486 /nfs/dbraw/zinc/21/94/86/1332219486.db2.gz CUAXDXFXWHMZGR-ZDUSSCGKSA-N 1 0 349.504 2.900 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCSCCC[NH3+] ZINC001343526382 1332353966 /nfs/dbraw/zinc/35/39/66/1332353966.db2.gz NRQJKOUJNSGIIT-UHFFFAOYSA-N 1 0 337.533 2.962 20 10 EFCDRO C[C@@H](OC1CCCCC1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001345813493 1332575454 /nfs/dbraw/zinc/57/54/54/1332575454.db2.gz USCOTJNRSDECTQ-KDOFPFPSSA-N 1 0 333.476 2.606 20 10 EFCDRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(N(C)C)c(F)c3)C[N@@H+]2C1 ZINC001346375489 1332631793 /nfs/dbraw/zinc/63/17/93/1332631793.db2.gz RMKCHDWVLLQJDO-BMFZPTHFSA-N 1 0 333.451 2.628 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001346702790 1332675284 /nfs/dbraw/zinc/67/52/84/1332675284.db2.gz ZBJQBFAILUNNGS-QGZVFWFLSA-N 1 0 332.492 2.816 20 10 EFCDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001349448363 1332954804 /nfs/dbraw/zinc/95/48/04/1332954804.db2.gz ZDVUDLUDILJCPY-QGZVFWFLSA-N 1 0 331.460 2.743 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCC[NH+]2CCC2)ccc1C ZINC001351499698 1333241206 /nfs/dbraw/zinc/24/12/06/1333241206.db2.gz OZZNSIYIEXJRBK-UHFFFAOYSA-N 1 0 339.439 2.651 20 10 EFCDRO C[C@H]1CCCN(C(=O)CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001351508936 1333242517 /nfs/dbraw/zinc/24/25/17/1333242517.db2.gz YHNZMESTOPZTMH-ZDUSSCGKSA-N 1 0 339.430 2.769 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847318484 1333541266 /nfs/dbraw/zinc/54/12/66/1333541266.db2.gz KDUDGXBYEIXHEG-MOPGFXCFSA-N 1 0 344.503 2.877 20 10 EFCDRO CCc1onc(C)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001352749680 1333704034 /nfs/dbraw/zinc/70/40/34/1333704034.db2.gz JWNIXSNYZMBTTE-UHFFFAOYSA-N 1 0 347.434 2.935 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000847443899 1333725855 /nfs/dbraw/zinc/72/58/55/1333725855.db2.gz FYZCXCDBTADPHC-RRQGHBQHSA-N 1 0 347.459 2.778 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)CC[C@@H](C)OC)CC2)cc1C ZINC001200195067 1333852803 /nfs/dbraw/zinc/85/28/03/1333852803.db2.gz SZDDRQUWTZTYET-MRXNPFEDSA-N 1 0 348.487 2.899 20 10 EFCDRO CC[C@H](C)OCC(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001100251488 1333999737 /nfs/dbraw/zinc/99/97/37/1333999737.db2.gz SWSBGUZXSIOJJK-ZLPCBKJTSA-N 1 0 348.487 2.803 20 10 EFCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000848407512 1334710802 /nfs/dbraw/zinc/71/08/02/1334710802.db2.gz QORMQILSERFXRJ-AZUAARDMSA-N 1 0 329.488 2.881 20 10 EFCDRO Cn1c(C2SC=CC2=O)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001355344954 1334748784 /nfs/dbraw/zinc/74/87/84/1334748784.db2.gz QHWBYEANYMKECL-UHFFFAOYSA-N 1 0 347.488 2.704 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000848520451 1334770544 /nfs/dbraw/zinc/77/05/44/1334770544.db2.gz JENGZBFJMKKSDL-HXUWFJFHSA-N 1 0 331.504 2.876 20 10 EFCDRO COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000848571399 1334799682 /nfs/dbraw/zinc/79/96/82/1334799682.db2.gz BGZYNTUOIHCLPQ-CYBMUJFWSA-N 1 0 329.396 2.967 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000848574407 1334801917 /nfs/dbraw/zinc/80/19/17/1334801917.db2.gz DWBLVLWRPGRPRP-VQTJNVASSA-N 1 0 329.488 2.630 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000848574405 1334802216 /nfs/dbraw/zinc/80/22/16/1334802216.db2.gz DWBLVLWRPGRPRP-PMACEKPBSA-N 1 0 329.488 2.630 20 10 EFCDRO COc1cccc2c1OCC[C@H]2[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000848574820 1334802767 /nfs/dbraw/zinc/80/27/67/1334802767.db2.gz IYONOYYWVDAAGP-CYBMUJFWSA-N 1 0 329.352 2.743 20 10 EFCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c1O ZINC000848881402 1334958429 /nfs/dbraw/zinc/95/84/29/1334958429.db2.gz OKAFPJYWKSWZDP-QGZVFWFLSA-N 1 0 328.412 2.828 20 10 EFCDRO CCc1cccc(C[N@@H+]2CCCN(c3nc(C)ns3)CC2)c1O ZINC000848890729 1334964336 /nfs/dbraw/zinc/96/43/36/1334964336.db2.gz UNNNABFLVCPPGE-UHFFFAOYSA-N 1 0 332.473 2.827 20 10 EFCDRO CCc1cccc(CNc2ccc(N3CC[NH+](C)CC3)nc2)c1O ZINC000848890320 1334965034 /nfs/dbraw/zinc/96/50/34/1334965034.db2.gz GVNIOZRWIZZGPH-UHFFFAOYSA-N 1 0 326.444 2.714 20 10 EFCDRO COC(=O)/C=C\c1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)o1 ZINC000848893784 1334966249 /nfs/dbraw/zinc/96/62/49/1334966249.db2.gz CMRLBRDDSRQBPC-CLFYSBASSA-N 1 0 332.375 2.961 20 10 EFCDRO CCc1cccc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)c1O ZINC000848894844 1334966761 /nfs/dbraw/zinc/96/67/61/1334966761.db2.gz MSALRAFAFSNYEV-UHFFFAOYSA-N 1 0 339.439 2.744 20 10 EFCDRO CCc1cccc(C[NH2+]Cc2cccc(NC(=O)COC)c2)c1O ZINC000848893926 1334967734 /nfs/dbraw/zinc/96/77/34/1334967734.db2.gz ZVBBSGFNWVPBDY-UHFFFAOYSA-N 1 0 328.412 2.829 20 10 EFCDRO CCc1cccc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)c1O ZINC000848895084 1334968245 /nfs/dbraw/zinc/96/82/45/1334968245.db2.gz PCHXZDDMQDJZNT-CYBMUJFWSA-N 1 0 348.468 2.714 20 10 EFCDRO CCc1cccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2=O)c1O ZINC000848896136 1334968905 /nfs/dbraw/zinc/96/89/05/1334968905.db2.gz SSQGPVNWUWRUPJ-INIZCTEOSA-N 1 0 328.387 2.989 20 10 EFCDRO CCc1cccc(C[NH2+]C[C@H](O)c2cc(OC)cc(OC)c2)c1O ZINC000848896709 1334968911 /nfs/dbraw/zinc/96/89/11/1334968911.db2.gz HPSFONFEVRULAR-SFHVURJKSA-N 1 0 331.412 2.795 20 10 EFCDRO CCc1cccc(C[NH2+]CCNc2nccc(C(F)(F)F)n2)c1O ZINC000848897153 1334968975 /nfs/dbraw/zinc/96/89/75/1334968975.db2.gz NJOKNLUHSZZPJG-UHFFFAOYSA-N 1 0 340.349 2.965 20 10 EFCDRO CCc1cccc(C[NH2+]CCS(=O)(=O)CCc2ccccc2)c1O ZINC000848909129 1334978785 /nfs/dbraw/zinc/97/87/85/1334978785.db2.gz LRYQSYOXERSBHX-UHFFFAOYSA-N 1 0 347.480 2.702 20 10 EFCDRO CCOc1ccc(O)c(C[NH+]2CCC(Oc3ncc(C)cn3)CC2)c1 ZINC000848924868 1334989462 /nfs/dbraw/zinc/98/94/62/1334989462.db2.gz FGIAPEOTYJXSKW-UHFFFAOYSA-N 1 0 343.427 2.933 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000848930058 1334995017 /nfs/dbraw/zinc/99/50/17/1334995017.db2.gz NECCZDVQOOAXSE-LJQANCHMSA-N 1 0 331.504 2.748 20 10 EFCDRO COCCNC(=[NH2+])NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000848987193 1335026625 /nfs/dbraw/zinc/02/66/25/1335026625.db2.gz SAAVFNUZEPWDMX-ZDUSSCGKSA-N 1 0 338.883 2.837 20 10 EFCDRO CC(C)(C)[C@H]([NH3+])CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001357369382 1335305724 /nfs/dbraw/zinc/30/57/24/1335305724.db2.gz WKUYBZJJGSFLRH-MRXNPFEDSA-N 1 0 335.517 2.620 20 10 EFCDRO CC(C)(C)[C@@H]([NH3+])CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001357369381 1335305777 /nfs/dbraw/zinc/30/57/77/1335305777.db2.gz WKUYBZJJGSFLRH-INIZCTEOSA-N 1 0 335.517 2.620 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC001357687385 1335325450 /nfs/dbraw/zinc/32/54/50/1335325450.db2.gz KSDBZXAITXBXSQ-RTBURBONSA-N 1 0 338.455 2.519 20 10 EFCDRO Cc1cc(C(=O)NC[C@H]2CCCCC[NH2+]2)c(C)n1-c1ccccn1 ZINC001358473758 1335380238 /nfs/dbraw/zinc/38/02/38/1335380238.db2.gz DGJXVTUSNFNXDQ-MRXNPFEDSA-N 1 0 326.444 2.751 20 10 EFCDRO COc1ccc(O)c(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c1 ZINC000849099047 1335551559 /nfs/dbraw/zinc/55/15/59/1335551559.db2.gz DIKAXSRELADIKQ-UHFFFAOYSA-N 1 0 343.383 2.699 20 10 EFCDRO COc1ccccc1CNC(=[NH2+])NCc1ccc(N(C)C)cc1C ZINC000849101797 1335551934 /nfs/dbraw/zinc/55/19/34/1335551934.db2.gz NPUHLQMXTCCWBQ-UHFFFAOYSA-N 1 0 326.444 2.884 20 10 EFCDRO COc1cccc(C[NH2+][C@@H]2CNCC[C@@H]2c2cccc(F)c2)c1O ZINC000849349601 1335596761 /nfs/dbraw/zinc/59/67/61/1335596761.db2.gz BWTFHENYVJNSQX-IAGOWNOFSA-N 1 0 330.403 2.775 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)c1 ZINC000849350481 1335596899 /nfs/dbraw/zinc/59/68/99/1335596899.db2.gz YTRQELRUAKXFNG-QZTJIDSGSA-N 1 0 330.403 2.775 20 10 EFCDRO COc1ccc(C(=O)NCC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001713420989 1418518053 /nfs/dbraw/zinc/51/80/53/1418518053.db2.gz XRGVACOUKVVKCM-AWEZNQCLSA-N 1 0 346.427 2.903 20 10 EFCDRO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001020417243 712967570 /nfs/dbraw/zinc/96/75/70/712967570.db2.gz ZQDKRZOVKDNDCY-TVFCKZIOSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C)C(F)(F)F)C2)cc1C ZINC000969614147 713186566 /nfs/dbraw/zinc/18/65/66/713186566.db2.gz ZTEIXUGBFLJXAR-TZMCWYRMSA-N 1 0 344.377 2.893 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc(C)co3)C2)cc1C ZINC000969652762 713205461 /nfs/dbraw/zinc/20/54/61/713205461.db2.gz LMDXCGLPPAAVKQ-MRXNPFEDSA-N 1 0 328.412 2.909 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C)[C@@H]3CCCO3)C2)cc1C ZINC001020566826 713207856 /nfs/dbraw/zinc/20/78/56/713207856.db2.gz UISKWXLQXIWHPC-MYZZLAAOSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cccnc3C)C2)cc1C ZINC000969755557 713248747 /nfs/dbraw/zinc/24/87/47/713248747.db2.gz BAWYTNPGAYSDOY-QGZVFWFLSA-N 1 0 339.439 2.711 20 10 EFCDRO CCc1oncc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001020658496 713329447 /nfs/dbraw/zinc/32/94/47/713329447.db2.gz PVCCHGNCPOQBHC-SHTZXODSSA-N 1 0 343.427 2.605 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@]3(C)CCCOC3)C2)cc1C ZINC001020833260 713413330 /nfs/dbraw/zinc/41/33/30/713413330.db2.gz IVDSFVXPIQDBGI-MBOZVWFJSA-N 1 0 346.471 2.557 20 10 EFCDRO CSCC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C(=O)N(C)C ZINC000806663010 713470296 /nfs/dbraw/zinc/47/02/96/713470296.db2.gz RKJKBTUFTSITCG-KGYLQXTDSA-N 1 0 340.464 2.879 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3ccco3)C2)cc1C ZINC000970308633 713629010 /nfs/dbraw/zinc/62/90/10/713629010.db2.gz ZASFTNCWUHENTM-MRXNPFEDSA-N 1 0 328.412 2.530 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@]3(C)CCCOC3)C2)cc1C ZINC000970358120 713652334 /nfs/dbraw/zinc/65/23/34/713652334.db2.gz XIWQZHVBVASJMO-YLJYHZDGSA-N 1 0 346.471 2.511 20 10 EFCDRO COC(=O)CC[N@H+](Cc1cc2c(cc1O)CCCC2)C1CCOCC1 ZINC000160324684 713833610 /nfs/dbraw/zinc/83/36/10/713833610.db2.gz LXAHMVGEDKJSTI-UHFFFAOYSA-N 1 0 347.455 2.815 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H]([NH2+]CC3CCCC3)C2)cc1 ZINC000970831732 714056984 /nfs/dbraw/zinc/05/69/84/714056984.db2.gz YPLFSWWIUWMTNM-MRXNPFEDSA-N 1 0 343.431 2.843 20 10 EFCDRO COc1cc(C[NH+]2CCN(c3cc(C)ccn3)CC2)c(O)cc1C ZINC000160440913 714098342 /nfs/dbraw/zinc/09/83/42/714098342.db2.gz CZIAHJOKILRZIN-UHFFFAOYSA-N 1 0 327.428 2.735 20 10 EFCDRO Cc1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)sc1C ZINC000891246732 714132684 /nfs/dbraw/zinc/13/26/84/714132684.db2.gz CLEFHCXQVAROSC-INIZCTEOSA-N 1 0 346.500 2.859 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C\c2ccc[nH]2)[NH+](C)C)cc1 ZINC000891246772 714133125 /nfs/dbraw/zinc/13/31/25/714133125.db2.gz DGFFPMZLMVTWLC-DVESRUBUSA-N 1 0 326.444 2.513 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2C2CCC2)[NH+](C)C)cc1 ZINC000891246838 714133175 /nfs/dbraw/zinc/13/31/75/714133175.db2.gz QDGSVQRZVOWANT-OTWHNJEPSA-N 1 0 329.488 2.908 20 10 EFCDRO CO[C@@H]1CCC[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891247098 714134808 /nfs/dbraw/zinc/13/48/08/714134808.db2.gz HJYJGOBXDCJRLK-QRQLOZEOSA-N 1 0 347.503 2.677 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccco2)[NH+](C)C)cc1 ZINC000891248588 714136594 /nfs/dbraw/zinc/13/65/94/714136594.db2.gz ZFXKYBJAEXJFOZ-KZNAEPCWSA-N 1 0 341.455 2.868 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ocnc2C2CC2)[NH+](C)C)cc1 ZINC000891249930 714139180 /nfs/dbraw/zinc/13/91/80/714139180.db2.gz UOAITPBJYBSBQH-INIZCTEOSA-N 1 0 342.443 2.651 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)C2=CC(=O)CS2)[NH+](C)C)cc1 ZINC000891249862 714139306 /nfs/dbraw/zinc/13/93/06/714139306.db2.gz UEJHDYAJANHTCX-OAHLLOKOSA-N 1 0 333.457 2.552 20 10 EFCDRO COCCC[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248763 714139609 /nfs/dbraw/zinc/13/96/09/714139609.db2.gz NUGPDGHXDVIHLN-YJBOKZPZSA-N 1 0 335.492 2.534 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(O)cc2F)[NH+](C)C)cc1 ZINC000891249092 714140306 /nfs/dbraw/zinc/14/03/06/714140306.db2.gz PNZKXTWAOOAVEN-GOSISDBHSA-N 1 0 345.418 2.630 20 10 EFCDRO C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(F)(F)F ZINC000891250482 714140514 /nfs/dbraw/zinc/14/05/14/714140514.db2.gz AGQZMPHWMVFSSH-BXUZGUMPSA-N 1 0 331.382 2.670 20 10 EFCDRO Cc1ccc(O)cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250239 714142046 /nfs/dbraw/zinc/14/20/46/714142046.db2.gz VPRDDMQEDKVXIJ-IBGZPJMESA-N 1 0 341.455 2.799 20 10 EFCDRO CC(C)n1nccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252428 714145429 /nfs/dbraw/zinc/14/54/29/714145429.db2.gz LFBCHWUEIPUXSN-GOSISDBHSA-N 1 0 343.475 2.563 20 10 EFCDRO CCc1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000891256279 714150674 /nfs/dbraw/zinc/15/06/74/714150674.db2.gz WXAXIXJVFQYYBZ-OAHLLOKOSA-N 1 0 346.500 2.804 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](Cn3ccnn3)C1)CCCC2 ZINC000160474101 714167017 /nfs/dbraw/zinc/16/70/17/714167017.db2.gz SNSRRIGDTDTCCF-HNNXBMFYSA-N 1 0 326.444 2.775 20 10 EFCDRO CC[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970954230 714177155 /nfs/dbraw/zinc/17/71/55/714177155.db2.gz LWXHJIMHEFSFDR-QWHCGFSZSA-N 1 0 345.447 2.945 20 10 EFCDRO CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001021740030 714403793 /nfs/dbraw/zinc/40/37/93/714403793.db2.gz QKEGQRRLOHPLEV-GDBMZVCRSA-N 1 0 343.431 2.795 20 10 EFCDRO C[NH+](C)Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1 ZINC000160725816 714450648 /nfs/dbraw/zinc/45/06/48/714450648.db2.gz JUHJGICINGUUFZ-UHFFFAOYSA-N 1 0 339.439 2.837 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(C)o3)C2)cc1C ZINC001021806006 714496073 /nfs/dbraw/zinc/49/60/73/714496073.db2.gz GFCQFYRARMSLHK-IYBDPMFKSA-N 1 0 328.412 2.956 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cccc(C)n3)C2)cc1C ZINC001021848981 714558904 /nfs/dbraw/zinc/55/89/04/714558904.db2.gz NSHOHRQKYFCXBI-CALCHBBNSA-N 1 0 339.439 2.758 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3c(C)ccn3C)C2)cc1C ZINC001022014950 714650569 /nfs/dbraw/zinc/65/05/69/714650569.db2.gz AVXNCRPJUUDMOS-CALCHBBNSA-N 1 0 341.455 2.701 20 10 EFCDRO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000134636700 714795771 /nfs/dbraw/zinc/79/57/71/714795771.db2.gz HBANFFKGXVQCGB-SOUVJXGZSA-N 1 0 336.863 2.764 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000134636718 714797261 /nfs/dbraw/zinc/79/72/61/714797261.db2.gz HBANFFKGXVQCGB-QLFBSQMISA-N 1 0 336.863 2.764 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[C@@H]3OC)C2)cc1C ZINC001022315211 715003634 /nfs/dbraw/zinc/00/36/34/715003634.db2.gz QKPKVBALPOJGHW-ZMMAXQRCSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[N@H+](C)Cc2ccc(OC)c(OC)c2O)cc1O ZINC000891780642 715013002 /nfs/dbraw/zinc/01/30/02/715013002.db2.gz AWARTGSMEJVRAE-UHFFFAOYSA-N 1 0 333.384 2.756 20 10 EFCDRO C[C@@H](NC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)c1ccc(N(C)C)cc1 ZINC000891814729 715036810 /nfs/dbraw/zinc/03/68/10/715036810.db2.gz UDBDTUPLIGZTGD-OXQOHEQNSA-N 1 0 344.503 2.989 20 10 EFCDRO C[C@H](NC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)c1ccc(N(C)C)cc1 ZINC000891814728 715036852 /nfs/dbraw/zinc/03/68/52/715036852.db2.gz UDBDTUPLIGZTGD-OXJNMPFZSA-N 1 0 344.503 2.989 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)NCc2ccsc2)[NH+](C)C)cc1 ZINC000891854269 715066843 /nfs/dbraw/zinc/06/68/43/715066843.db2.gz HWJREKLJDAZWBE-KRWDZBQOSA-N 1 0 346.500 2.916 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@]34C[C@H]3CCC4)C2)cc1C ZINC001022461681 715170074 /nfs/dbraw/zinc/17/00/74/715170074.db2.gz STONYFAZHUBUNS-PDOICOKGSA-N 1 0 328.456 2.931 20 10 EFCDRO C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000891999391 715215580 /nfs/dbraw/zinc/21/55/80/715215580.db2.gz CCBMQAXMRGTXTQ-INIZCTEOSA-N 1 0 330.476 2.570 20 10 EFCDRO CN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000891999390 715215650 /nfs/dbraw/zinc/21/56/50/715215650.db2.gz CBTQZFWJUGDDOL-SFHVURJKSA-N 1 0 330.476 2.522 20 10 EFCDRO COc1ccc(C[NH+]2CCN(c3cccs3)CC2)c(O)c1OC ZINC000892121710 715263178 /nfs/dbraw/zinc/26/31/78/715263178.db2.gz PBPQCHYCADSIET-UHFFFAOYSA-N 1 0 334.441 2.793 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3conc3C)C2)cc1C ZINC001027034666 715324362 /nfs/dbraw/zinc/32/43/62/715324362.db2.gz JFQUIKVYJSWUSP-MRXNPFEDSA-N 1 0 343.427 2.552 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)C(C)(F)F)C2)cc1C ZINC000980296787 718042704 /nfs/dbraw/zinc/04/27/04/718042704.db2.gz JHJXFMNNRMMQJJ-ZFWWWQNUSA-N 1 0 340.414 2.985 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c(O)c1OC ZINC000892508513 718042928 /nfs/dbraw/zinc/04/29/28/718042928.db2.gz UBOYKZIMJQKZTO-AWEZNQCLSA-N 1 0 337.803 2.886 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CC(C)(F)F)C2)cc1C ZINC001027045376 715342971 /nfs/dbraw/zinc/34/29/71/715342971.db2.gz RPZVIRZPCKCKRB-OAHLLOKOSA-N 1 0 340.414 2.987 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)c(O)c1OC ZINC000892222833 715372576 /nfs/dbraw/zinc/37/25/76/715372576.db2.gz BHNRIAFKTYFJFR-HNNXBMFYSA-N 1 0 331.416 2.788 20 10 EFCDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000161271762 715509151 /nfs/dbraw/zinc/50/91/51/715509151.db2.gz ABYNFASAVHBLKF-UHFFFAOYSA-N 1 0 335.517 2.621 20 10 EFCDRO CC1(C)CC[C@@H](CO)[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000895925527 724396436 /nfs/dbraw/zinc/39/64/36/724396436.db2.gz BZICKEVLOTZIRH-INIZCTEOSA-N 1 0 336.451 2.645 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CC34CC4)C2)cc1C ZINC001027088267 715520495 /nfs/dbraw/zinc/52/04/95/715520495.db2.gz JFOUUPKLMWQNGV-DLBZAZTESA-N 1 0 328.456 2.742 20 10 EFCDRO C[C@H](CC(=O)NCCCSc1nccs1)C1CC[NH2+]CC1 ZINC000158526270 715594287 /nfs/dbraw/zinc/59/42/87/715594287.db2.gz GLPIAZZFMJBMDR-GFCCVEGCSA-N 1 0 327.519 2.767 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3nccs3)C2)cc1C ZINC001027136028 715686347 /nfs/dbraw/zinc/68/63/47/715686347.db2.gz GRVSCJZPKWUDPY-OAHLLOKOSA-N 1 0 345.468 2.712 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCO[C@@H](C)C3)C2)cc1C ZINC001022897620 715908591 /nfs/dbraw/zinc/90/85/91/715908591.db2.gz LXDDUBCPNIYAOH-XOYOTBSWSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(N2CCN(C(=O)Nc3cccc(C[NH3+])c3)CC2)cc1 ZINC000327296409 715928834 /nfs/dbraw/zinc/92/88/34/715928834.db2.gz LOEFBAKYERDYHU-UHFFFAOYSA-N 1 0 340.427 2.508 20 10 EFCDRO CC(C)C[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000327509363 716024208 /nfs/dbraw/zinc/02/42/08/716024208.db2.gz SAZSGBVLOSYHEA-UHFFFAOYSA-N 1 0 343.450 2.688 20 10 EFCDRO COc1ccc(C[NH2+]CCO[C@@H]2CCCCO2)cc1Cn1cccn1 ZINC000894795156 722849082 /nfs/dbraw/zinc/84/90/82/722849082.db2.gz SEMPALKAZRHBJW-LJQANCHMSA-N 1 0 345.443 2.573 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000161582374 716051688 /nfs/dbraw/zinc/05/16/88/716051688.db2.gz SFYCCFAEDQBVQQ-ILZDJORESA-N 1 0 329.488 2.801 20 10 EFCDRO CCN(CC)[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccco1 ZINC000236899529 716095812 /nfs/dbraw/zinc/09/58/12/716095812.db2.gz OGACNPGEQMRSCJ-CQSZACIVSA-N 1 0 332.400 2.887 20 10 EFCDRO CC1CC(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001023150239 716175740 /nfs/dbraw/zinc/17/57/40/716175740.db2.gz ZYHDNROLSXHOCI-AACMRGSTSA-N 1 0 343.431 2.746 20 10 EFCDRO COc1ccc(C[N@H+](CCO)Cc2ccc(C)cc2)c(O)c1OC ZINC000893509321 716323845 /nfs/dbraw/zinc/32/38/45/716323845.db2.gz RNNSTZRRMQIBOH-UHFFFAOYSA-N 1 0 331.412 2.712 20 10 EFCDRO CC1(C)C[N@H+](CCCF)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000977658740 716450358 /nfs/dbraw/zinc/45/03/58/716450358.db2.gz IWJDVDIIDQTZGQ-CQSZACIVSA-N 1 0 349.410 2.649 20 10 EFCDRO Cc1cc(C(=O)NCC[NH+]2CCC(C)CC2)c(C)n1-c1ccccn1 ZINC000125700474 716738037 /nfs/dbraw/zinc/73/80/37/716738037.db2.gz BPHFHKLRSUTGBU-UHFFFAOYSA-N 1 0 340.471 2.951 20 10 EFCDRO CCCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000979142749 716747723 /nfs/dbraw/zinc/74/77/23/716747723.db2.gz LKQXKPMELBFEAQ-QAPCUYQASA-N 1 0 334.460 2.509 20 10 EFCDRO CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC000979165490 716755407 /nfs/dbraw/zinc/75/54/07/716755407.db2.gz YUWNIMPFBPMIOX-PHZGNYQRSA-N 1 0 343.431 2.557 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CN(C(=O)C=C(C)C)CCO2)cc1C ZINC000979191598 716788723 /nfs/dbraw/zinc/78/87/23/716788723.db2.gz YNBZVLDJJXMKJE-VQIMIIECSA-N 1 0 346.471 2.675 20 10 EFCDRO C/C=C(/C)C(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000979237204 716824459 /nfs/dbraw/zinc/82/44/59/716824459.db2.gz BTBOKPVEJILBCS-YYIBJSIWSA-N 1 0 346.471 2.675 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N1CCCCC1 ZINC000178462944 716888181 /nfs/dbraw/zinc/88/81/81/716888181.db2.gz AMQDASATXYAURZ-DLBZAZTESA-N 1 0 345.487 2.575 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)C(F)F)C2)cc1C ZINC001023790545 717028459 /nfs/dbraw/zinc/02/84/59/717028459.db2.gz GDXDVWNCVOYMKO-AWEZNQCLSA-N 1 0 326.387 2.597 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)c3cc[nH]c3)C2)cc1C ZINC001024002010 717186513 /nfs/dbraw/zinc/18/65/13/717186513.db2.gz UHLLMBIVELVENS-QGZVFWFLSA-N 1 0 341.455 2.974 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)c3cocn3)C2)cc1C ZINC000980434459 717275381 /nfs/dbraw/zinc/27/53/81/717275381.db2.gz GLJUINKQMYULMN-HOCLYGCPSA-N 1 0 343.427 2.632 20 10 EFCDRO Cc1cccc(C)c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893606982 717355191 /nfs/dbraw/zinc/35/51/91/717355191.db2.gz CCUMQKHBGCGGOE-UHFFFAOYSA-N 1 0 337.467 2.985 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)c3cc[nH]c3)C2)cc1C ZINC000980589092 717460028 /nfs/dbraw/zinc/46/00/28/717460028.db2.gz UOJLVEXSQBCXPG-WBVHZDCISA-N 1 0 341.455 2.972 20 10 EFCDRO Oc1ccccc1C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000179573656 717793320 /nfs/dbraw/zinc/79/33/20/717793320.db2.gz NCAJLNWNMMPZGL-UHFFFAOYSA-N 1 0 326.425 2.719 20 10 EFCDRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000310532421 717846753 /nfs/dbraw/zinc/84/67/53/717846753.db2.gz ZQRFLJRFAQMXCC-OEUWWYETSA-N 1 0 330.428 2.834 20 10 EFCDRO COc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000005097760 718057443 /nfs/dbraw/zinc/05/74/43/718057443.db2.gz HGAURWNLLGWOST-GOSISDBHSA-N 1 0 341.455 2.794 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](C)N2CCc3ccccc32)c(O)c1OC ZINC000892509684 718060306 /nfs/dbraw/zinc/06/03/06/718060306.db2.gz ANXJJSAFTCHNKF-AWEZNQCLSA-N 1 0 342.439 2.950 20 10 EFCDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(C)c(O)c2O)c1 ZINC000177675538 718158484 /nfs/dbraw/zinc/15/84/84/718158484.db2.gz YRAQRDVBNKSQDW-UHFFFAOYSA-N 1 0 328.412 2.788 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000177708367 718174811 /nfs/dbraw/zinc/17/48/11/718174811.db2.gz KTFJZFUPKDMLNQ-NVXWUHKLSA-N 1 0 344.503 2.957 20 10 EFCDRO CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001024819504 718176351 /nfs/dbraw/zinc/17/63/51/718176351.db2.gz PTJMJPKPPGVUCY-OAHLLOKOSA-N 1 0 331.420 2.843 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CCCF)cc1 ZINC001024818935 718179798 /nfs/dbraw/zinc/17/97/98/718179798.db2.gz IHESTZGOBGRPPN-OAHLLOKOSA-N 1 0 349.410 2.793 20 10 EFCDRO CC[C@@H](OC)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001024895264 718209659 /nfs/dbraw/zinc/20/96/59/718209659.db2.gz YHGDPFBECUXXEY-QZTJIDSGSA-N 1 0 348.487 2.899 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 ZINC000180219412 718305872 /nfs/dbraw/zinc/30/58/72/718305872.db2.gz KLAXVCMRMBOXIE-AWEZNQCLSA-N 1 0 345.393 2.926 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)CN2C[C@H](C)C[C@H](C)C2)c(O)c1OC ZINC000892674955 718472519 /nfs/dbraw/zinc/47/25/19/718472519.db2.gz LVFSLRXBVNGFQH-ZNMIVQPWSA-N 1 0 336.476 2.865 20 10 EFCDRO COc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC3CCC3)C2)cc(OC)n1 ZINC000981198900 718492960 /nfs/dbraw/zinc/49/29/60/718492960.db2.gz LMJWFCLCWARDJK-HZPDHXFCSA-N 1 0 347.459 2.530 20 10 EFCDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCC3CC3)C2)cc(OC)n1 ZINC000981200097 718493849 /nfs/dbraw/zinc/49/38/49/718493849.db2.gz XARBQWQYTAULNZ-JKSUJKDBSA-N 1 0 347.459 2.530 20 10 EFCDRO CC(C)[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000981539865 718798626 /nfs/dbraw/zinc/79/86/26/718798626.db2.gz ABYJCRVXZJLARO-LSDHHAIUSA-N 1 0 331.420 2.888 20 10 EFCDRO CCC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000981542317 718800071 /nfs/dbraw/zinc/80/00/71/718800071.db2.gz UDSLGMKRKXUTSF-GJZGRUSLSA-N 1 0 331.420 2.890 20 10 EFCDRO CCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000981542321 718800171 /nfs/dbraw/zinc/80/01/71/718800171.db2.gz UDSLGMKRKXUTSF-LSDHHAIUSA-N 1 0 331.420 2.890 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccn(C)c3)[C@@H]2C)cc1C ZINC000986156147 724542433 /nfs/dbraw/zinc/54/24/33/724542433.db2.gz CZILRILHPYLHQL-QAPCUYQASA-N 1 0 341.455 2.735 20 10 EFCDRO COc1cccc([C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)N(C)C)c1 ZINC000237317802 724548781 /nfs/dbraw/zinc/54/87/81/724548781.db2.gz SHCQGJOEPCRHFQ-INIZCTEOSA-N 1 0 344.411 2.522 20 10 EFCDRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000893645097 719067683 /nfs/dbraw/zinc/06/76/83/719067683.db2.gz GQRSIHGRQDHHSH-ZDUSSCGKSA-N 1 0 342.534 2.656 20 10 EFCDRO CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001025631455 719259413 /nfs/dbraw/zinc/25/94/13/719259413.db2.gz BJRKOEYTYSUCBM-TZMCWYRMSA-N 1 0 331.420 2.699 20 10 EFCDRO COc1ccccc1OCCC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892888506 719261429 /nfs/dbraw/zinc/26/14/29/719261429.db2.gz IDOCFKDMNLNEMF-UHFFFAOYSA-N 1 0 347.411 2.977 20 10 EFCDRO COCCCNC(=O)C[N@H+](C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000122488444 719313375 /nfs/dbraw/zinc/31/33/75/719313375.db2.gz QRJQBACKYWFZIS-UHFFFAOYSA-N 1 0 336.476 2.583 20 10 EFCDRO CCC(CC)(C[NH3+])C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000236656295 719391375 /nfs/dbraw/zinc/39/13/75/719391375.db2.gz HMYJYURTMHNIGZ-UHFFFAOYSA-N 1 0 333.476 2.545 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CC[C@H]([NH2+]CC3CCCC3)C2)cc1 ZINC001019846269 719395872 /nfs/dbraw/zinc/39/58/72/719395872.db2.gz YPLFSWWIUWMTNM-INIZCTEOSA-N 1 0 343.431 2.843 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cscn3)C2)cc1C ZINC001020024740 719435097 /nfs/dbraw/zinc/43/50/97/719435097.db2.gz VGLHACKKXYMNAN-HDJSIYSDSA-N 1 0 331.441 2.511 20 10 EFCDRO COc1ccccc1O[C@H](C)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893094328 719621418 /nfs/dbraw/zinc/62/14/18/719621418.db2.gz HBSQNNPWMYVAJK-CYBMUJFWSA-N 1 0 347.411 2.975 20 10 EFCDRO C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261562199 719630612 /nfs/dbraw/zinc/63/06/12/719630612.db2.gz GJEOIQYJJSSLPI-VQIMIIECSA-N 1 0 337.467 2.838 20 10 EFCDRO COc1cc(Cl)cc(C[N@H+](C)C(C)(C)CN2CCOCC2)c1O ZINC000840978571 720024928 /nfs/dbraw/zinc/02/49/28/720024928.db2.gz SUUPNNUSMQACAH-UHFFFAOYSA-N 1 0 342.867 2.597 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c1O ZINC000840980408 720037706 /nfs/dbraw/zinc/03/77/06/720037706.db2.gz ZCYFWXFEBKOTQV-WDEREUQCSA-N 1 0 344.249 2.756 20 10 EFCDRO Oc1cc2c(cc1C[NH+]1CCN(Cc3ccncc3)CC1)CCCC2 ZINC000159495906 720043748 /nfs/dbraw/zinc/04/37/48/720043748.db2.gz IGXLXFKNXCEKFG-UHFFFAOYSA-N 1 0 337.467 2.984 20 10 EFCDRO COc1cc(C)cc(C[N@H+](CCC(N)=O)Cc2ccccc2)c1O ZINC000893914947 720158739 /nfs/dbraw/zinc/15/87/39/720158739.db2.gz NGAJMOISFNFKAT-UHFFFAOYSA-N 1 0 328.412 2.587 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1O ZINC000893976236 720192323 /nfs/dbraw/zinc/19/23/23/720192323.db2.gz OZWOQWRSVWBIMZ-XYJFISCASA-N 1 0 348.487 2.783 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000893976235 720192640 /nfs/dbraw/zinc/19/26/40/720192640.db2.gz OZWOQWRSVWBIMZ-SOLBZPMBSA-N 1 0 348.487 2.783 20 10 EFCDRO CC[C@H](C)c1nnc([C@@H](C)NCc2ccc(OC)c(OC)c2O)[nH]1 ZINC000894010963 720211887 /nfs/dbraw/zinc/21/18/87/720211887.db2.gz YSXJHAABBTVXOH-WDEREUQCSA-N 1 0 334.420 2.892 20 10 EFCDRO COc1ccc2c(c1)OC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)C2 ZINC000893264668 720348603 /nfs/dbraw/zinc/34/86/03/720348603.db2.gz GLZRKMKSVNPELC-CQSZACIVSA-N 1 0 345.395 2.511 20 10 EFCDRO C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1O ZINC000185298414 720407001 /nfs/dbraw/zinc/40/70/01/720407001.db2.gz REEUSMYDJCGIPT-AWEZNQCLSA-N 1 0 346.452 2.783 20 10 EFCDRO CC(C)[NH2+]C1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001026613058 720816425 /nfs/dbraw/zinc/81/64/25/720816425.db2.gz SZEQOMQATRMKMU-UHFFFAOYSA-N 1 0 331.420 2.888 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)OCC3CC3)cc2F)CC1 ZINC000192877617 720856387 /nfs/dbraw/zinc/85/63/87/720856387.db2.gz NPTWTMNOBUSBDK-UHFFFAOYSA-N 1 0 335.423 2.604 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3cc(C)no3)C2)cc1C ZINC001026677934 720919804 /nfs/dbraw/zinc/91/98/04/720919804.db2.gz JUKIFMTVGFIXAC-INIZCTEOSA-N 1 0 343.427 2.552 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CC2(N3CCOCC3)CCCCC2)c1O ZINC000894161391 720973282 /nfs/dbraw/zinc/97/32/82/720973282.db2.gz UBOKDSLCUQXSAO-UHFFFAOYSA-N 1 0 348.487 2.834 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C(=O)C(C)(C)C)C2)cc1C ZINC001026737881 721010439 /nfs/dbraw/zinc/01/04/39/721010439.db2.gz NGEMHSKXNLWPQJ-MRXNPFEDSA-N 1 0 346.471 2.557 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CC3(C)C)C2)cc1C ZINC001026788177 721116029 /nfs/dbraw/zinc/11/60/29/721116029.db2.gz CQMIIUPTXULHQK-IAGOWNOFSA-N 1 0 330.472 2.988 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CC(=O)N2CCCc3ccccc32)c1O ZINC000894206383 721207035 /nfs/dbraw/zinc/20/70/35/721207035.db2.gz FTQOQESDJSAAHS-UHFFFAOYSA-N 1 0 340.423 2.778 20 10 EFCDRO Cc1ccc(CC(=O)N2CC[NH+](Cc3cc(C)ccc3O)CC2)cc1 ZINC000092937522 721251469 /nfs/dbraw/zinc/25/14/69/721251469.db2.gz YBIXPRPDMRTQIV-UHFFFAOYSA-N 1 0 338.451 2.896 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3ccncc3)C2)cc1C ZINC000983015974 721762201 /nfs/dbraw/zinc/76/22/01/721762201.db2.gz ORHFKLWPNIGGNZ-SAABIXHNSA-N 1 0 339.439 2.697 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)c1O ZINC000894260918 721778992 /nfs/dbraw/zinc/77/89/92/721778992.db2.gz FUSUIGKXODLLAA-SFHVURJKSA-N 1 0 337.366 2.985 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3cc(C)no3)C2)cc1C ZINC000983144590 721852486 /nfs/dbraw/zinc/85/24/86/721852486.db2.gz PCBVEOQUDYZXPI-WKILWMFISA-N 1 0 343.427 2.598 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CC2(N(C)C)Cc3ccccc3C2)c1O ZINC000894288696 721943364 /nfs/dbraw/zinc/94/33/64/721943364.db2.gz WPUXXNBZGLSEAK-UHFFFAOYSA-N 1 0 340.467 2.898 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@@H]2C[C@H](C)N(c3ccccc3)C2=O)c1O ZINC000894305127 722029187 /nfs/dbraw/zinc/02/91/87/722029187.db2.gz WSIIFWOBQUYYTM-WMLDXEAASA-N 1 0 340.423 2.993 20 10 EFCDRO COc1cc(NCC[NH2+]Cc2cc(C)cc(OC)c2O)cc(OC)c1 ZINC000894354483 722600023 /nfs/dbraw/zinc/60/00/23/722600023.db2.gz LOGBIDAUDDRHTG-UHFFFAOYSA-N 1 0 346.427 2.928 20 10 EFCDRO COc1ccc2c(c1)OC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)C2 ZINC000894365826 722619922 /nfs/dbraw/zinc/61/99/22/722619922.db2.gz ANQHRZNEAZHMLZ-OAHLLOKOSA-N 1 0 329.396 2.811 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CC[N@H+](CCC3CC3)C2)cc1 ZINC001029013533 722638191 /nfs/dbraw/zinc/63/81/91/722638191.db2.gz CBNAXYDJWHDYJX-AWEZNQCLSA-N 1 0 343.431 2.701 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC[N@H+](C/C=C/Cl)C2)cc1 ZINC001029013694 722638626 /nfs/dbraw/zinc/63/86/26/722638626.db2.gz GABFKEBOQJPFSN-MOHVTFCOSA-N 1 0 349.822 2.653 20 10 EFCDRO CC[C@@H](F)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013971 722639112 /nfs/dbraw/zinc/63/91/12/722639112.db2.gz MSUBJIFGWIKGFW-TZMCWYRMSA-N 1 0 349.410 2.649 20 10 EFCDRO CC[C@H](C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029014180 722639879 /nfs/dbraw/zinc/63/98/79/722639879.db2.gz QULPEXBHFKRXLC-UONOGXRCSA-N 1 0 345.447 2.947 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C2CCN(C(=O)[C@H](C)OC)CC2)cc1C ZINC001029061166 722709632 /nfs/dbraw/zinc/70/96/32/722709632.db2.gz QXJJOTVBHHCPIP-HOTGVXAUSA-N 1 0 348.487 2.755 20 10 EFCDRO COc1cccc(C[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)c1O ZINC000894458279 722742274 /nfs/dbraw/zinc/74/22/74/722742274.db2.gz PZTNKZPIMITBGL-UHFFFAOYSA-N 1 0 336.432 2.794 20 10 EFCDRO COc1ccc(CN(CC[NH+](C)C)Cc2ccco2)c(O)c1OC ZINC000894465917 722747165 /nfs/dbraw/zinc/74/71/65/722747165.db2.gz UPYVLWKHIXTOFG-UHFFFAOYSA-N 1 0 334.416 2.566 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c(O)c1OC ZINC000894592450 722792672 /nfs/dbraw/zinc/79/26/72/722792672.db2.gz XTOMYDDYPZVXGC-AWEZNQCLSA-N 1 0 346.402 2.917 20 10 EFCDRO COc1cc(C)cc(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1O ZINC000894813969 722855320 /nfs/dbraw/zinc/85/53/20/722855320.db2.gz DIPRDNYWINKHCH-GOSISDBHSA-N 1 0 342.439 2.888 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)c1O ZINC000894819622 722856297 /nfs/dbraw/zinc/85/62/97/722856297.db2.gz XJASKOBCPHFDBL-CQSZACIVSA-N 1 0 344.386 2.743 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)c1O ZINC000894857443 722900853 /nfs/dbraw/zinc/90/08/53/722900853.db2.gz MMRXCJPUCWPLCF-SFHVURJKSA-N 1 0 330.428 2.954 20 10 EFCDRO COc1ccc(C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c(O)c1OC ZINC000894867729 722921918 /nfs/dbraw/zinc/92/19/18/722921918.db2.gz XRBACKUHXFEPNI-LBPRGKRZSA-N 1 0 339.432 2.819 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000141066422 723010186 /nfs/dbraw/zinc/01/01/86/723010186.db2.gz XNJWFJQRUQHSAD-IEBWSBKVSA-N 1 0 344.503 2.687 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@@H](C)C(=O)Nc2cccnc2C)c1O ZINC000894970249 723039026 /nfs/dbraw/zinc/03/90/26/723039026.db2.gz XASXTLRVQRWULF-ZDUSSCGKSA-N 1 0 329.400 2.529 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)cc2F)CC1 ZINC000248366762 723058662 /nfs/dbraw/zinc/05/86/62/723058662.db2.gz SNNGZBPJZFJQDM-MNZLEMJZSA-N 1 0 345.462 2.630 20 10 EFCDRO COc1ccc(F)cc1CC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000896052792 723115007 /nfs/dbraw/zinc/11/50/07/723115007.db2.gz IUSMGRLCACUMTB-UHFFFAOYSA-N 1 0 335.375 2.889 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H](CNC(C)=O)C3)c2c1 ZINC000067382671 723139435 /nfs/dbraw/zinc/13/94/35/723139435.db2.gz WSNBPBAZVQZZOA-HNNXBMFYSA-N 1 0 342.439 2.902 20 10 EFCDRO COc1ccc(C[NH+]2CCC(Nc3ccccn3)CC2)c(O)c1OC ZINC000896193463 723189868 /nfs/dbraw/zinc/18/98/68/723189868.db2.gz XERZOIMVJOHLQV-UHFFFAOYSA-N 1 0 343.427 2.881 20 10 EFCDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000896270623 723229415 /nfs/dbraw/zinc/22/94/15/723229415.db2.gz SCLDTCXHYNYSBD-IAGOWNOFSA-N 1 0 346.471 2.773 20 10 EFCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1O ZINC000896386151 723277998 /nfs/dbraw/zinc/27/79/98/723277998.db2.gz KRQXVSNRUDINEF-LLVKDONJSA-N 1 0 342.233 2.658 20 10 EFCDRO CN(CC1CC[NH+](C)CC1)C(=O)NCCCSc1nccs1 ZINC000154572760 728805827 /nfs/dbraw/zinc/80/58/27/728805827.db2.gz HVGRBYGCKHTCKV-UHFFFAOYSA-N 1 0 342.534 2.609 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237217763 723293688 /nfs/dbraw/zinc/29/36/88/723293688.db2.gz MLUIHVDUYARPHQ-QGZVFWFLSA-N 1 0 347.528 2.730 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3conc3C)C2)cc1C ZINC000984735365 723384854 /nfs/dbraw/zinc/38/48/54/723384854.db2.gz YGUANANVDZZTRR-WKILWMFISA-N 1 0 343.427 2.598 20 10 EFCDRO CC(C)C[NH+]1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000154592586 728816172 /nfs/dbraw/zinc/81/61/72/728816172.db2.gz QWKQCBQVIHRYOK-UHFFFAOYSA-N 1 0 342.534 2.609 20 10 EFCDRO Cc1cc(Br)cc(C[NH2+]CC2CC3(C2)OCCO3)c1O ZINC000896911746 723861923 /nfs/dbraw/zinc/86/19/23/723861923.db2.gz JIZINRFSLZVZJA-UHFFFAOYSA-N 1 0 342.233 2.706 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)c1O ZINC000895375055 724086142 /nfs/dbraw/zinc/08/61/42/724086142.db2.gz VKXCIDHILJYZKZ-QGZVFWFLSA-N 1 0 328.412 2.895 20 10 EFCDRO CCOC(=O)CC1([NH2+]Cc2ccc3c(c2)CCCO3)CCOCC1 ZINC000895463579 724146691 /nfs/dbraw/zinc/14/66/91/724146691.db2.gz XEIIOTYEAKTGHL-UHFFFAOYSA-N 1 0 333.428 2.604 20 10 EFCDRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3c(C)cccc3O)C2)cc1 ZINC000895495304 724166536 /nfs/dbraw/zinc/16/65/36/724166536.db2.gz CTPDREQOTSLXFK-MRXNPFEDSA-N 1 0 326.396 2.992 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNCc3nc(Cl)cs3)cc2)CC1 ZINC000895607708 724221798 /nfs/dbraw/zinc/22/17/98/724221798.db2.gz UJOYCUDSCNWDJP-UHFFFAOYSA-N 1 0 336.892 2.838 20 10 EFCDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1ccc(N(C)C)cc1)C(F)(F)F ZINC000895710422 724269892 /nfs/dbraw/zinc/26/98/92/724269892.db2.gz VFGNZCANAVQCCW-FJVVXJACSA-N 1 0 332.366 2.686 20 10 EFCDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1cc(OCC)ccc1O)C(F)(F)F ZINC000895708719 724278997 /nfs/dbraw/zinc/27/89/97/724278997.db2.gz VQYRSEKOMLHGMJ-ZPIQOJFGSA-N 1 0 349.349 2.724 20 10 EFCDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1cc(C)c(C)cc1O)C(F)(F)F ZINC000895708707 724279107 /nfs/dbraw/zinc/27/91/07/724279107.db2.gz VLHPUUQOEJTSSJ-LLYBFZRZSA-N 1 0 333.350 2.942 20 10 EFCDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1cc(Cl)ccc1O)C(F)(F)F ZINC000895709253 724279597 /nfs/dbraw/zinc/27/95/97/724279597.db2.gz YIVFKOVTDJKVPC-URWSZGRFSA-N 1 0 339.741 2.979 20 10 EFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]CC3CCSCC3)cc2)CC1 ZINC000895813498 724328672 /nfs/dbraw/zinc/32/86/72/724328672.db2.gz DXNMACUZNVPBLP-UHFFFAOYSA-N 1 0 347.528 2.621 20 10 EFCDRO COC(=O)c1ccccc1CC[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000897310208 724348098 /nfs/dbraw/zinc/34/80/98/724348098.db2.gz YTNQPUOCZLQEOH-UHFFFAOYSA-N 1 0 345.395 2.528 20 10 EFCDRO COC(=O)c1ccccc1CC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000897311075 724350054 /nfs/dbraw/zinc/35/00/54/724350054.db2.gz PNAFKYGRNKYEOE-UHFFFAOYSA-N 1 0 329.396 2.828 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3ccco3)C[C@H]2C)cc1C ZINC000939366647 728901834 /nfs/dbraw/zinc/90/18/34/728901834.db2.gz LAGGXWAMYJTHIG-CRAIPNDOSA-N 1 0 342.439 2.776 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3conc3C)[C@H]2C)cc1C ZINC000986819771 724897306 /nfs/dbraw/zinc/89/73/06/724897306.db2.gz CCDRHGULNAXBIS-WMLDXEAASA-N 1 0 343.427 2.693 20 10 EFCDRO CCC[N@H+](C)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000985813558 724906945 /nfs/dbraw/zinc/90/69/45/724906945.db2.gz GBPHRJHNUIDQNI-UHFFFAOYSA-N 1 0 331.420 2.795 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CCOCC3)[C@H]2C)cc1C ZINC000985879210 724941677 /nfs/dbraw/zinc/94/16/77/724941677.db2.gz QVXAIACRNSOWNN-MAUKXSAKSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccoc3)[C@@H]2C)cc1C ZINC000985969063 724991757 /nfs/dbraw/zinc/99/17/57/724991757.db2.gz HLCSNIJYHOXFJQ-RHSMWYFYSA-N 1 0 328.412 2.989 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc(C)no3)[C@@H]2C)cc1C ZINC000985975958 724996015 /nfs/dbraw/zinc/99/60/15/724996015.db2.gz YQHLNAFTBBTAIN-ZBFHGGJFSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccc[nH]3)[C@H]2C)cc1C ZINC000985982329 724998447 /nfs/dbraw/zinc/99/84/47/724998447.db2.gz MREDTRPYVZWEIL-HOCLYGCPSA-N 1 0 327.428 2.725 20 10 EFCDRO C/C(=C(\F)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000918906062 728941133 /nfs/dbraw/zinc/94/11/33/728941133.db2.gz KXOCFPJGWONQOX-NBVRZTHBSA-N 1 0 331.435 2.708 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3oncc3C)[C@H]2C)cc1C ZINC000987296882 725634140 /nfs/dbraw/zinc/63/41/40/725634140.db2.gz DESZVTHYKLVMDY-GOEBONIOSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3nocc3C)[C@H]2C)cc1C ZINC000987318661 725643170 /nfs/dbraw/zinc/64/31/70/725643170.db2.gz LYBAEYGVUAZIHE-GOEBONIOSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3ccc[nH]3)[C@@H]2C)cc1C ZINC000987551349 725748120 /nfs/dbraw/zinc/74/81/20/725748120.db2.gz NMMHUPNBTLRIKH-QAPCUYQASA-N 1 0 341.455 2.653 20 10 EFCDRO C[C@@H]1[C@H]([NH2+]CC2CCC2)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000987582818 725765412 /nfs/dbraw/zinc/76/54/12/725765412.db2.gz AWNPCSGLXZMIIJ-MLGOLLRUSA-N 1 0 343.431 2.842 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCOC1 ZINC000151586216 725783707 /nfs/dbraw/zinc/78/37/07/725783707.db2.gz ZZVFKKAJMQWZPF-QUCCMNQESA-N 1 0 332.488 2.800 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3cc(C)on3)C2)cc1C ZINC000987960178 725925324 /nfs/dbraw/zinc/92/53/24/725925324.db2.gz JYOFIWSGWBBYJP-CJNGLKHVSA-N 1 0 343.427 2.693 20 10 EFCDRO CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(N=NC(N)=O)cc3)CCC[C@H]12 ZINC000992547799 725959132 /nfs/dbraw/zinc/95/91/32/725959132.db2.gz LUEHLGIIJRHUHP-YOEHRIQHSA-N 1 0 329.404 2.596 20 10 EFCDRO CC[N@@H+]1CC[C@]2(NC(=O)c3ccc(N=NC(N)=O)cc3)CCC[C@@H]12 ZINC000992547788 725959166 /nfs/dbraw/zinc/95/91/66/725959166.db2.gz LUEHLGIIJRHUHP-RHSMWYFYSA-N 1 0 329.404 2.596 20 10 EFCDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCCCSc1nccs1 ZINC000152192677 725971588 /nfs/dbraw/zinc/97/15/88/725971588.db2.gz GNIXMZUGTOJISU-CYBMUJFWSA-N 1 0 342.534 2.799 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3ccoc3)C2)cc1C ZINC000988068166 726055320 /nfs/dbraw/zinc/05/53/20/726055320.db2.gz JCZDLWGRLUERMJ-WMLDXEAASA-N 1 0 328.412 2.989 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C3=COCCC3)C2)cc1C ZINC000988310915 726165276 /nfs/dbraw/zinc/16/52/76/726165276.db2.gz OHXCBJHPIXKTQW-MAUKXSAKSA-N 1 0 344.455 2.777 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3cscn3)C2)cc1C ZINC000988352466 726203898 /nfs/dbraw/zinc/20/38/98/726203898.db2.gz PEHYCNMTMQOFHE-HIFRSBDPSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C(=O)C(C)(C)C)C2)cc1C ZINC000988389980 726231398 /nfs/dbraw/zinc/23/13/98/726231398.db2.gz IJKPKEPPUAIWKU-GDBMZVCRSA-N 1 0 346.471 2.698 20 10 EFCDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000152735703 726236681 /nfs/dbraw/zinc/23/66/81/726236681.db2.gz VSSUMQMJKBRFBN-HNNXBMFYSA-N 1 0 333.453 2.961 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3ocnc3C)C2)cc1C ZINC000988498538 726344052 /nfs/dbraw/zinc/34/40/52/726344052.db2.gz DMPDZAZPOUFHAD-XJKSGUPXSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3ocnc3C)C2)cc1C ZINC000988498535 726344068 /nfs/dbraw/zinc/34/40/68/726344068.db2.gz DMPDZAZPOUFHAD-CZUORRHYSA-N 1 0 343.427 2.693 20 10 EFCDRO CN(C)c1ccc([C@@H](CNc2nnc(C(F)F)o2)[NH+](C)C)cc1 ZINC000897521753 726398284 /nfs/dbraw/zinc/39/82/84/726398284.db2.gz IOIGPGWZYOREBM-GFCCVEGCSA-N 1 0 325.363 2.788 20 10 EFCDRO CCN(CC)c1ccc(CNC(=S)NCCC[NH+](C)C)cc1F ZINC000731317426 726840688 /nfs/dbraw/zinc/84/06/88/726840688.db2.gz FOYIXICPPPWETR-UHFFFAOYSA-N 1 0 340.512 2.588 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[N@H+](C)CC2)cc1F ZINC000731404161 726856994 /nfs/dbraw/zinc/85/69/94/726856994.db2.gz HXKLAGWWPKWVKP-UHFFFAOYSA-N 1 0 336.455 2.519 20 10 EFCDRO COCC[N@H+](C)CCCNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000915179865 726889671 /nfs/dbraw/zinc/88/96/71/726889671.db2.gz WNBJGUZRGNFAKI-UHFFFAOYSA-N 1 0 343.471 2.792 20 10 EFCDRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000732186735 727002046 /nfs/dbraw/zinc/00/20/46/727002046.db2.gz ZABVCFZQJXACPF-HNNXBMFYSA-N 1 0 325.412 2.527 20 10 EFCDRO COc1cc(C)cc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c1O ZINC000915790512 727138636 /nfs/dbraw/zinc/13/86/36/727138636.db2.gz JWLUSWIBPXYQOH-UHFFFAOYSA-N 1 0 328.412 2.737 20 10 EFCDRO C[N@H+](CC(=O)Nc1c(-c2ccccn2)nc2ccccn21)C1CCC1 ZINC000908275159 727148573 /nfs/dbraw/zinc/14/85/73/727148573.db2.gz LHIKQZHCHFNZQL-UHFFFAOYSA-N 1 0 335.411 2.819 20 10 EFCDRO CCC[C@](C)(O)C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000732820570 727244708 /nfs/dbraw/zinc/24/47/08/727244708.db2.gz LKHOBYONGXDNEY-AWEZNQCLSA-N 1 0 332.238 2.804 20 10 EFCDRO Cc1ccccc1[C@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911666294 727576692 /nfs/dbraw/zinc/57/66/92/727576692.db2.gz IAPAARMACICVPF-HNAYVOBHSA-N 1 0 325.456 2.981 20 10 EFCDRO CSc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)o1 ZINC000911668559 727576790 /nfs/dbraw/zinc/57/67/90/727576790.db2.gz ZVFNFMIBCJVLIH-OAHLLOKOSA-N 1 0 333.457 2.806 20 10 EFCDRO CCN(CC)c1ccc(CN(C)C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000915896891 727637745 /nfs/dbraw/zinc/63/77/45/727637745.db2.gz LJDGHUJREPRZDY-UHFFFAOYSA-N 1 0 332.492 2.768 20 10 EFCDRO C[C@H]1[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCC[N@@H+]1CCCF ZINC000994497769 727772093 /nfs/dbraw/zinc/77/20/93/727772093.db2.gz RENZGSUYHWOCRB-SWLSCSKDSA-N 1 0 349.410 2.791 20 10 EFCDRO COc1cc(C)cc(C[NH+]2CCN(Cc3c(C)noc3C)CC2)c1O ZINC000164217384 727920490 /nfs/dbraw/zinc/92/04/90/727920490.db2.gz SWFOHIOMZAYOJT-UHFFFAOYSA-N 1 0 345.443 2.632 20 10 EFCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164265214 727923774 /nfs/dbraw/zinc/92/37/74/727923774.db2.gz TXAPJXCXBVJZJP-OAHLLOKOSA-N 1 0 334.460 2.838 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1O ZINC000164263938 727923923 /nfs/dbraw/zinc/92/39/23/727923923.db2.gz YKZXDSNRSWXSMY-HNNXBMFYSA-N 1 0 334.460 2.693 20 10 EFCDRO COc1cc(C)cc(CN2CCN(Cc3nc(C)c(C)o3)CC2)c1O ZINC000164284336 727932949 /nfs/dbraw/zinc/93/29/49/727932949.db2.gz YJKPRJPNNHAMFY-UHFFFAOYSA-N 1 0 345.443 2.632 20 10 EFCDRO COc1cccc([C@@H](CNC(=O)Nc2ccc(N)cc2)[NH+](C)C)c1 ZINC000324904892 727941317 /nfs/dbraw/zinc/94/13/17/727941317.db2.gz WFALNPRESHEUGC-QGZVFWFLSA-N 1 0 328.416 2.702 20 10 EFCDRO O=C(NCC[NH+]1CCCCC1)NCc1ccc(N2CCCC2)cc1 ZINC000045195643 727989650 /nfs/dbraw/zinc/98/96/50/727989650.db2.gz FAUPGEZFQGXILL-UHFFFAOYSA-N 1 0 330.476 2.572 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1F ZINC000057647147 728100097 /nfs/dbraw/zinc/10/00/97/728100097.db2.gz LAFPHLNMIXBOLO-INIZCTEOSA-N 1 0 348.466 2.662 20 10 EFCDRO COc1cccc(NC(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000182432469 728149905 /nfs/dbraw/zinc/14/99/05/728149905.db2.gz VDJKBCGZFZOFQA-GFCCVEGCSA-N 1 0 330.384 2.699 20 10 EFCDRO COc1cccc(NC(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000182432446 728149935 /nfs/dbraw/zinc/14/99/35/728149935.db2.gz VDJKBCGZFZOFQA-LBPRGKRZSA-N 1 0 330.384 2.699 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157817270 728217319 /nfs/dbraw/zinc/21/73/19/728217319.db2.gz KOIMLMIWNSOXAW-CRAIPNDOSA-N 1 0 347.478 2.797 20 10 EFCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CN(Cc3ccccc3)CCO1)CC2 ZINC000382418552 728242236 /nfs/dbraw/zinc/24/22/36/728242236.db2.gz AWDTVZCAYPPGBX-RBUKOAKNSA-N 1 0 338.451 2.870 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3coc(C)n3)CC2)cc1C ZINC000991680879 728261060 /nfs/dbraw/zinc/26/10/60/728261060.db2.gz WZEXBPNBZYWMBT-UHFFFAOYSA-N 1 0 343.427 2.694 20 10 EFCDRO CCN(CC)c1ccc(CN2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000171846224 728556024 /nfs/dbraw/zinc/55/60/24/728556024.db2.gz JBQIYVHQSKAAGQ-UHFFFAOYSA-N 1 0 344.547 2.746 20 10 EFCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC000172491582 728593029 /nfs/dbraw/zinc/59/30/29/728593029.db2.gz XXRXYGJABTXCNA-CYBMUJFWSA-N 1 0 335.444 2.980 20 10 EFCDRO C[C@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)C[NH+]1CCCC1 ZINC000174115806 728648838 /nfs/dbraw/zinc/64/88/38/728648838.db2.gz BMDWQBQMSSFEBG-OAHLLOKOSA-N 1 0 345.487 2.802 20 10 EFCDRO CCCNC(=O)[C@H](C)[N@H+](CC)Cc1cc(Br)ccc1O ZINC000174425204 728664565 /nfs/dbraw/zinc/66/45/65/728664565.db2.gz TUHWWZHMHCTFFO-NSHDSACASA-N 1 0 343.265 2.891 20 10 EFCDRO CC[C@@H](C)NC(=O)C[N@H+](CC)Cc1cc(Br)ccc1O ZINC000174423038 728664617 /nfs/dbraw/zinc/66/46/17/728664617.db2.gz GLQPLCARZUSBCU-LLVKDONJSA-N 1 0 343.265 2.891 20 10 EFCDRO CCCCNC(=O)C[N@H+](CC)Cc1cc(Br)ccc1O ZINC000174422687 728664623 /nfs/dbraw/zinc/66/46/23/728664623.db2.gz JBUMBACCSGQGJG-UHFFFAOYSA-N 1 0 343.265 2.893 20 10 EFCDRO COc1ccc(O)c(C[NH2+]Cc2cc(OC)c(OC)c(OC)c2)c1 ZINC000323939757 728672426 /nfs/dbraw/zinc/67/24/26/728672426.db2.gz JGIBONHJVKQIFA-UHFFFAOYSA-N 1 0 333.384 2.716 20 10 EFCDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000919899270 729108594 /nfs/dbraw/zinc/10/85/94/729108594.db2.gz XNOLRGQTTPSITO-BRWVUGGUSA-N 1 0 346.519 2.918 20 10 EFCDRO Cc1cc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000919966732 729119625 /nfs/dbraw/zinc/11/96/25/729119625.db2.gz AEVVRFIMZTUSAQ-HNNXBMFYSA-N 1 0 340.471 2.951 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[NH2+][C@H](C)C3)c2C)cc1 ZINC000155166808 729131790 /nfs/dbraw/zinc/13/17/90/729131790.db2.gz ULVULYFJQZSESA-CYBMUJFWSA-N 1 0 327.428 2.537 20 10 EFCDRO CC(C)[C@H](C(=O)NCc1ccc(N(C)C)cc1)N1C[C@@H](C)O[C@H](C)C1 ZINC000921202825 729270615 /nfs/dbraw/zinc/27/06/15/729270615.db2.gz GXVLFSJLZJQKNB-GPMSIDNRSA-N 1 0 347.503 2.503 20 10 EFCDRO CCC[N@H+](CC)CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000175313914 729494091 /nfs/dbraw/zinc/49/40/91/729494091.db2.gz YFDINUICMGGTFP-UHFFFAOYSA-N 1 0 332.492 2.818 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)c3cocn3)C2)cc1C ZINC000994835251 729577651 /nfs/dbraw/zinc/57/76/51/729577651.db2.gz QLCLNALZJGSEHC-CVEARBPZSA-N 1 0 343.427 2.680 20 10 EFCDRO CC[NH+](CC)CCN(CC(C)C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180679593 729763916 /nfs/dbraw/zinc/76/39/16/729763916.db2.gz LBHNJOQYUVLEMX-CSKARUKUSA-N 1 0 334.460 2.937 20 10 EFCDRO CC[NH+](CC)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)CC(C)C ZINC000181077007 729778880 /nfs/dbraw/zinc/77/88/80/729778880.db2.gz SBMMUDZGFXIXDY-XAVKZTDYSA-N 1 0 334.460 2.984 20 10 EFCDRO C[C@@H](CC(C)(C)CC(=O)[O-])[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001592445705 978116414 /nfs/dbraw/zinc/11/64/14/978116414.db2.gz PZXUQNAEDMMANK-INIZCTEOSA-N 1 0 347.503 2.808 20 10 EFCDRO C[C@H](CC(C)(C)CC(=O)[O-])[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001592445706 978116606 /nfs/dbraw/zinc/11/66/06/978116606.db2.gz PZXUQNAEDMMANK-MRXNPFEDSA-N 1 0 347.503 2.808 20 10 EFCDRO OC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)cc1O ZINC000691431973 1126106432 /nfs/dbraw/zinc/10/64/32/1126106432.db2.gz XXBVDLFJBOYCJI-HNNXBMFYSA-N 1 0 336.229 2.848 20 10 EFCDRO CCOc1ccc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c(O)c1 ZINC000734845577 1126106842 /nfs/dbraw/zinc/10/68/42/1126106842.db2.gz VCQRVYKDXFMFJU-INIZCTEOSA-N 1 0 340.423 2.965 20 10 EFCDRO CCOc1ccc(C[NH2+][C@](C)(CO)Cc2ccc(OC)cc2)c(O)c1 ZINC000873191575 1126119564 /nfs/dbraw/zinc/11/95/64/1126119564.db2.gz PSTUEVMFYOUDDX-FQEVSTJZSA-N 1 0 345.439 2.883 20 10 EFCDRO CC(C)[C@H]1[NH2+]CC12CCN(C(=O)NCc1ccc(N(C)C)cc1)CC2 ZINC001575520886 1088529205 /nfs/dbraw/zinc/52/92/05/1088529205.db2.gz OOAVCRARGJURMK-GOSISDBHSA-N 1 0 344.503 2.672 20 10 EFCDRO CC1(C)[C@H](NCc2ccc(N3CCOCC3)c(F)c2)[C@@H]2CCC[NH2+][C@H]21 ZINC001576392098 1089180948 /nfs/dbraw/zinc/18/09/48/1089180948.db2.gz WTLJFTKLWDZALZ-ATZDWAIDSA-N 1 0 347.478 2.529 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@H]2CCCN(Cc3cn[nH]n3)C2)cc1C ZINC001576490337 1089294263 /nfs/dbraw/zinc/29/42/63/1089294263.db2.gz UGBUKJPYZQCENH-QGZVFWFLSA-N 1 0 343.475 2.656 20 10 EFCDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC001576883601 1089504609 /nfs/dbraw/zinc/50/46/09/1089504609.db2.gz WBRRHZFTFHTTGE-KXBFYZLASA-N 1 0 341.455 2.872 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CC3(C2)CCC[NH2+]C3)cc1F ZINC001577699684 1090134217 /nfs/dbraw/zinc/13/42/17/1090134217.db2.gz SZBIBJBYZDFZIQ-UHFFFAOYSA-N 1 0 348.466 2.567 20 10 EFCDRO C[NH2+][C@H](C)CCNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001578567676 1090398524 /nfs/dbraw/zinc/39/85/24/1090398524.db2.gz BIOFFPPFKBEZFN-CYBMUJFWSA-N 1 0 338.415 2.516 20 10 EFCDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001578734368 1090428977 /nfs/dbraw/zinc/42/89/77/1090428977.db2.gz LLVVAKJCZNIWKV-HKUYNNGSSA-N 1 0 343.446 2.795 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@H](N)CC(F)(F)F)CC2)cc1 ZINC001579225227 1090551671 /nfs/dbraw/zinc/55/16/71/1090551671.db2.gz GJZWSGQLZWDABV-GFCCVEGCSA-N 1 0 331.382 2.533 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNc1ccc(N2CC[NH2+]CC2)cn1 ZINC001579534867 1090628494 /nfs/dbraw/zinc/62/84/94/1090628494.db2.gz UQCYFRXRBCEKJM-UHFFFAOYSA-N 1 0 335.455 2.903 20 10 EFCDRO Cc1cc(CC(=O)N2CC[C@@H]([NH3+])C2)c(C)n1-c1ccc(Cl)cc1 ZINC001579589613 1090638622 /nfs/dbraw/zinc/63/86/22/1090638622.db2.gz KZFWDGYXSSMPRL-MRXNPFEDSA-N 1 0 331.847 2.850 20 10 EFCDRO Cc1cc(CCNC(=O)[C@@]2(C)CC[NH2+]C2)c(C)n1-c1ccccc1 ZINC001579592601 1090638657 /nfs/dbraw/zinc/63/86/57/1090638657.db2.gz HNWPXNWQLJOFFZ-FQEVSTJZSA-N 1 0 325.456 2.752 20 10 EFCDRO Cc1cc(CC(=O)N[C@H]2C[NH2+]CC2(C)C)c(C)n1-c1ccccc1 ZINC001579589706 1090638707 /nfs/dbraw/zinc/63/87/07/1090638707.db2.gz NCKXCZDBONCGEW-SFHVURJKSA-N 1 0 325.456 2.751 20 10 EFCDRO Cc1cc(C[NH3+])oc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001579598039 1090640282 /nfs/dbraw/zinc/64/02/82/1090640282.db2.gz YLDZZCFHLBBXIU-UHFFFAOYSA-N 1 0 327.428 2.967 20 10 EFCDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C2)C1 ZINC001580201191 1090808012 /nfs/dbraw/zinc/80/80/12/1090808012.db2.gz XIMBYKUUDMBNEJ-CJBNDPTMSA-N 1 0 342.842 2.903 20 10 EFCDRO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001580309663 1090858581 /nfs/dbraw/zinc/85/85/81/1090858581.db2.gz JHWCLYOUIUWTMP-FNORWQNLSA-N 1 0 346.814 2.752 20 10 EFCDRO O=C(N(Cc1ccco1)Cc1ccccc1O)C1(F)CC[NH2+]CC1 ZINC001580580814 1090957320 /nfs/dbraw/zinc/95/73/20/1090957320.db2.gz DQRRVTVYIITLCQ-UHFFFAOYSA-N 1 0 332.375 2.606 20 10 EFCDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc2cc(O)c(O)cc2s1 ZINC001580703516 1090989262 /nfs/dbraw/zinc/98/92/62/1090989262.db2.gz RIOAEFSYZPVNKE-YHPBZONMSA-N 1 0 332.425 2.573 20 10 EFCDRO O=C(NCc1cc(Cl)ccc1O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001580707962 1090989746 /nfs/dbraw/zinc/98/97/46/1090989746.db2.gz HIIXPVYVLXDRQX-MRXNPFEDSA-N 1 0 345.830 2.559 20 10 EFCDRO COc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2O)ccc1-c1nn[nH]n1 ZINC001591533167 1093754195 /nfs/dbraw/zinc/75/41/95/1093754195.db2.gz JJTQWNIFHVXSCW-JTQLQIEISA-N 1 0 343.362 2.571 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1-c1nn[nH]n1 ZINC001591596274 1093786587 /nfs/dbraw/zinc/78/65/87/1093786587.db2.gz OKIHQXINOWVKAU-LBPRGKRZSA-N 1 0 339.399 2.740 20 10 EFCDRO COc1cccc(C[N@H+](C)[C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1O ZINC001591638233 1093811550 /nfs/dbraw/zinc/81/15/50/1093811550.db2.gz OZAGWDHKISHOKE-LBPRGKRZSA-N 1 0 339.399 2.774 20 10 EFCDRO CSc1ccc(C[NH2+]Cc2ccc(C)cc2O)cc1-c1nn[nH]n1 ZINC001591714254 1093840326 /nfs/dbraw/zinc/84/03/26/1093840326.db2.gz YQXKUJLUPBLOAB-UHFFFAOYSA-N 1 0 341.440 2.892 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1csc(-c2nn[nH]n2)c1 ZINC001591995704 1093950678 /nfs/dbraw/zinc/95/06/78/1093950678.db2.gz SZNDUAXLWZZJOF-UHFFFAOYSA-N 1 0 328.445 2.592 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)c(O)c1 ZINC001592135564 1093993342 /nfs/dbraw/zinc/99/33/42/1093993342.db2.gz LLPANWYEAGOKJI-LRDDRELGSA-N 1 0 335.411 2.699 20 10 EFCDRO Cc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1-c1nn[nH]n1 ZINC001592165619 1094011309 /nfs/dbraw/zinc/01/13/09/1094011309.db2.gz FOGIYNKNOXDFAY-UHFFFAOYSA-N 1 0 329.791 2.824 20 10 EFCDRO C[NH+](C)CCOc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588403933 1094404444 /nfs/dbraw/zinc/40/44/44/1094404444.db2.gz KOOFQJXFVYLDJG-WMZJFQQLSA-N 1 0 342.395 2.690 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC001167897615 1096224566 /nfs/dbraw/zinc/22/45/66/1096224566.db2.gz LGCCXYORKKJGBM-PIIMJCKOSA-N 1 0 329.488 2.595 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(N(C)C)cc1 ZINC001603667789 1096585342 /nfs/dbraw/zinc/58/53/42/1096585342.db2.gz IKUJYSASYQJETK-GFCCVEGCSA-N 1 0 340.406 2.923 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c(O)c1 ZINC001605828438 1097241259 /nfs/dbraw/zinc/24/12/59/1097241259.db2.gz SFJKWSJODVTAMD-ZDUSSCGKSA-N 1 0 339.399 2.610 20 10 EFCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCc3cc(-c4nn[nH]n4)ccc31)CC2 ZINC001607112066 1097518434 /nfs/dbraw/zinc/51/84/34/1097518434.db2.gz SMNBHEFIUITYDD-CVEARBPZSA-N 1 0 333.395 2.837 20 10 EFCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCc3cc(-c4nn[nH]n4)ccc31)CC2 ZINC001607112069 1097519098 /nfs/dbraw/zinc/51/90/98/1097519098.db2.gz SMNBHEFIUITYDD-JKSUJKDBSA-N 1 0 333.395 2.837 20 10 EFCDRO O=C(c1cccc(O)c1O)N1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001269608108 1098286400 /nfs/dbraw/zinc/28/64/00/1098286400.db2.gz UEEDRQGTEIHVAF-HXUWFJFHSA-N 1 0 344.455 2.969 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001270703324 1099462516 /nfs/dbraw/zinc/46/25/16/1099462516.db2.gz JTLPPYQWSPRIKW-CHAYFFTQSA-N 1 0 342.439 2.729 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NCC[N@H+](C)C2CCCC2)cc1F ZINC000729506839 1099975978 /nfs/dbraw/zinc/97/59/78/1099975978.db2.gz SRVGFZIRXJRRMT-UHFFFAOYSA-N 1 0 336.455 2.565 20 10 EFCDRO Oc1cc(O)c(CCNc2cc(C[NH+]3CCCCC3)ccn2)cc1O ZINC001168006895 1100149386 /nfs/dbraw/zinc/14/93/86/1100149386.db2.gz WQSYUSOIXVXJBF-UHFFFAOYSA-N 1 0 343.427 2.839 20 10 EFCDRO CN(C)c1ccc(/C=C/C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC001270931348 1100279549 /nfs/dbraw/zinc/27/95/49/1100279549.db2.gz HLLHBRDLPVDTHZ-OSICKASQSA-N 1 0 327.472 2.710 20 10 EFCDRO Oc1cc(O)c(CCNc2cc(OCC(F)(F)F)cc[nH+]2)cc1O ZINC001168018217 1100592684 /nfs/dbraw/zinc/59/26/84/1100592684.db2.gz YFNVKKZIQMHULD-UHFFFAOYSA-N 1 0 344.289 2.794 20 10 EFCDRO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000840145756 1100848024 /nfs/dbraw/zinc/84/80/24/1100848024.db2.gz FXPZWRZWGVLWMM-HNNXBMFYSA-N 1 0 349.475 2.631 20 10 EFCDRO CCCc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC001167423343 1101574409 /nfs/dbraw/zinc/57/44/09/1101574409.db2.gz WCYRIVLIHRUYOK-UHFFFAOYSA-N 1 0 325.460 2.793 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3nccc4ccncc43)cc2)CC1 ZINC001167423410 1101575303 /nfs/dbraw/zinc/57/53/03/1101575303.db2.gz YNLYJQXZWJAHSK-UHFFFAOYSA-N 1 0 333.439 2.994 20 10 EFCDRO CCCOc1nccnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167431187 1101613776 /nfs/dbraw/zinc/61/37/76/1101613776.db2.gz LETUYWIFZCVYPB-UHFFFAOYSA-N 1 0 341.459 2.629 20 10 EFCDRO Cc1nc2nc(NCc3ccc(N4CC[NH+](C)CC4)cc3)ccc2[nH]1 ZINC001167434683 1101663768 /nfs/dbraw/zinc/66/37/68/1101663768.db2.gz RVNFWFDXHKTARE-UHFFFAOYSA-N 1 0 336.443 2.630 20 10 EFCDRO Cc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC001167434931 1101667027 /nfs/dbraw/zinc/66/70/27/1101667027.db2.gz ZVQXPUSMGBFVBO-UHFFFAOYSA-N 1 0 341.415 2.662 20 10 EFCDRO C[NH2+]C[C@@H]1CCCN(Cc2cc(C)c(Br)cc2O)C1 ZINC001205018690 1101708647 /nfs/dbraw/zinc/70/86/47/1101708647.db2.gz YBFPFURZZSBDLX-LBPRGKRZSA-N 1 0 327.266 2.895 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ccc4c(N)noc4c3)cc2)CC1 ZINC001167436881 1101709177 /nfs/dbraw/zinc/70/91/77/1101709177.db2.gz DUJUQRVTAVGSPC-UHFFFAOYSA-N 1 0 337.427 2.774 20 10 EFCDRO CC[NH+](CC)[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccco1 ZINC000588404620 1101907244 /nfs/dbraw/zinc/90/72/44/1101907244.db2.gz FVMPKXWFPBBXKU-WWRUEGTHSA-N 1 0 344.411 2.903 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)c1 ZINC000840867120 1101943573 /nfs/dbraw/zinc/94/35/73/1101943573.db2.gz NXNWBCBFLHEUNK-GFCCVEGCSA-N 1 0 335.425 2.655 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cc(C3CC3)n[nH]2)cc1C ZINC001167254771 1102153026 /nfs/dbraw/zinc/15/30/26/1102153026.db2.gz BFESYVXBXHJZDR-UHFFFAOYSA-N 1 0 342.443 2.514 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCOCC3)C2)cc1C ZINC001022027401 1102174719 /nfs/dbraw/zinc/17/47/19/1102174719.db2.gz LLCQPWPXTOBYOI-OKZBNKHCSA-N 1 0 346.471 2.557 20 10 EFCDRO Oc1cccc(Br)c1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000707166035 1102232363 /nfs/dbraw/zinc/23/23/63/1102232363.db2.gz NLHKRSDWARTBIV-GFCCVEGCSA-N 1 0 325.250 2.825 20 10 EFCDRO CCc1ncc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000840907066 1102412780 /nfs/dbraw/zinc/41/27/80/1102412780.db2.gz AAVQBHXZVWLHPN-KRWDZBQOSA-N 1 0 327.428 2.926 20 10 EFCDRO Cc1ccc([C@H](O)C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000905704766 1103515151 /nfs/dbraw/zinc/51/51/51/1103515151.db2.gz OPYOPDMOEDDOCY-LEWJYISDSA-N 1 0 341.499 2.987 20 10 EFCDRO Cc1cccc([C@H](O)C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000905706356 1103518100 /nfs/dbraw/zinc/51/81/00/1103518100.db2.gz UFDXJOYFBNBEIN-LEWJYISDSA-N 1 0 341.499 2.987 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N(C)C2CCC([NH3+])CC2)cc1 ZINC000841719440 1104743638 /nfs/dbraw/zinc/74/36/38/1104743638.db2.gz MPBUOROEQHJBJF-UHFFFAOYSA-N 1 0 332.492 2.944 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3coc(C)n3)C2)cc1C ZINC000988690661 1105021050 /nfs/dbraw/zinc/02/10/50/1105021050.db2.gz GELJCJCITKFCMG-CZUORRHYSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)Cc3ccoc3)C2)cc1C ZINC000988695728 1105028981 /nfs/dbraw/zinc/02/89/81/1105028981.db2.gz YAYXATHUZIISSK-QAPCUYQASA-N 1 0 342.439 2.918 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c1O ZINC000322132886 1105593473 /nfs/dbraw/zinc/59/34/73/1105593473.db2.gz OPGKPVUIPFPHIX-UHFFFAOYSA-N 1 0 338.835 2.545 20 10 EFCDRO CCCN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC[NH2+]CC1 ZINC000841882551 1105804602 /nfs/dbraw/zinc/80/46/02/1105804602.db2.gz JZIUGIFBHDDRDW-HNNXBMFYSA-N 1 0 332.492 2.987 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3conc3C)C2)cc1C ZINC000989392624 1105851365 /nfs/dbraw/zinc/85/13/65/1105851365.db2.gz VMLONHXNVYTANR-CZUORRHYSA-N 1 0 343.427 2.693 20 10 EFCDRO CCCC[C@@H](C[NH3+])NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841959215 1106047556 /nfs/dbraw/zinc/04/75/56/1106047556.db2.gz WODAVSGZCTXSCK-INIZCTEOSA-N 1 0 332.492 2.944 20 10 EFCDRO CCCN(CC[NH+]1CCCCC1)C(=O)NCCc1ccc(N)cc1 ZINC000841962044 1106055047 /nfs/dbraw/zinc/05/50/47/1106055047.db2.gz MJCCCPZYLWXZAV-UHFFFAOYSA-N 1 0 332.492 2.719 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000841978718 1106071462 /nfs/dbraw/zinc/07/14/62/1106071462.db2.gz PFEKFPUBCLIOEU-KRWDZBQOSA-N 1 0 332.492 2.815 20 10 EFCDRO Cc1cc(O)c(C[NH2+]C2(C(=O)N3CCOCC3)CCCCC2)cc1C ZINC000897892746 1106133766 /nfs/dbraw/zinc/13/37/66/1106133766.db2.gz BKXIDOVXUNBFRV-UHFFFAOYSA-N 1 0 346.471 2.660 20 10 EFCDRO CCc1cccc(C[NH2+]C2(C(=O)N3CCOCC3)CCCCC2)c1O ZINC000897892913 1106133918 /nfs/dbraw/zinc/13/39/18/1106133918.db2.gz DVENJZUZLOGNJD-UHFFFAOYSA-N 1 0 346.471 2.606 20 10 EFCDRO CC[C@H]([NH3+])CNC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000842006280 1106169100 /nfs/dbraw/zinc/16/91/00/1106169100.db2.gz LMBOZRVIUUPUEP-INIZCTEOSA-N 1 0 344.459 2.795 20 10 EFCDRO COc1ccc(C[N@H+](CCCO)Cc2cccc(OC)c2O)cc1 ZINC000898172592 1106259421 /nfs/dbraw/zinc/25/94/21/1106259421.db2.gz QCHJJAOXOUDQHP-UHFFFAOYSA-N 1 0 331.412 2.794 20 10 EFCDRO COc1ccc(C[NH2+]Cc2c(C)nc3ccccn32)c(O)c1OC ZINC000898271985 1106299720 /nfs/dbraw/zinc/29/97/20/1106299720.db2.gz NXZCNFPRGIMEKD-UHFFFAOYSA-N 1 0 327.384 2.655 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)Cc3ccco3)C2)cc1C ZINC000989582307 1106455561 /nfs/dbraw/zinc/45/55/61/1106455561.db2.gz HUKNHFXWFIANDD-NVXWUHKLSA-N 1 0 342.439 2.918 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3nocc3C)C2)cc1C ZINC000989654866 1106514401 /nfs/dbraw/zinc/51/44/01/1106514401.db2.gz YATGULQNJZVFIX-ZBFHGGJFSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3nocc3C)C2)cc1C ZINC000989654865 1106514419 /nfs/dbraw/zinc/51/44/19/1106514419.db2.gz YATGULQNJZVFIX-HOCLYGCPSA-N 1 0 343.427 2.693 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCC[N@H+](CCC3CC3)CC2)cc1 ZINC000989760844 1106627589 /nfs/dbraw/zinc/62/75/89/1106627589.db2.gz FRYRNBHKOKGZJQ-UHFFFAOYSA-N 1 0 343.431 2.797 20 10 EFCDRO CC[C@H]([NH2+][C@H](C)CC(=O)NC)c1cc(Br)ccc1O ZINC000323066210 1106808802 /nfs/dbraw/zinc/80/88/02/1106808802.db2.gz VFQJAGGLJGXLBT-SKDRFNHKSA-N 1 0 329.238 2.720 20 10 EFCDRO CCO[C@@H]1C[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000990048630 1107216097 /nfs/dbraw/zinc/21/60/97/1107216097.db2.gz CSYILZKYEQQHKB-PKOBYXMFSA-N 1 0 346.471 2.509 20 10 EFCDRO C[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1CC1CCC1 ZINC001089068201 1107403607 /nfs/dbraw/zinc/40/36/07/1107403607.db2.gz RSWBKRPTCOLULD-WBMJQRKESA-N 1 0 343.431 2.842 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)C(=O)C(C)(C)C)CC2)cc1C ZINC000990342245 1107638354 /nfs/dbraw/zinc/63/83/54/1107638354.db2.gz RZFYWKUEANMMPV-UHFFFAOYSA-N 1 0 346.471 2.699 20 10 EFCDRO O=C(NC1CCCC1)[C@H]1CC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001272386610 1108150925 /nfs/dbraw/zinc/15/09/25/1108150925.db2.gz OKQXWUNISCSQBT-QGZVFWFLSA-N 1 0 344.455 2.759 20 10 EFCDRO CC[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(O)ccc1O ZINC001272387314 1108152927 /nfs/dbraw/zinc/15/29/27/1108152927.db2.gz WNKPBBVJPGHUQQ-AUUYWEPGSA-N 1 0 332.444 2.853 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)CCOCc2ccccc2)cc1 ZINC000905027602 1108360815 /nfs/dbraw/zinc/36/08/15/1108360815.db2.gz QHBLLGHRSRAEOC-FQEVSTJZSA-N 1 0 328.456 2.810 20 10 EFCDRO C[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1cc(Br)ccc1O ZINC000927002929 1108553022 /nfs/dbraw/zinc/55/30/22/1108553022.db2.gz HNEKLCSAZFJFOX-SNVBAGLBSA-N 1 0 342.233 2.958 20 10 EFCDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000176456012 1108600340 /nfs/dbraw/zinc/60/03/40/1108600340.db2.gz BPGUVRWZQPTCJL-AWEZNQCLSA-N 1 0 333.476 2.801 20 10 EFCDRO C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(=O)OC(C)(C)C ZINC000898448784 1108943283 /nfs/dbraw/zinc/94/32/83/1108943283.db2.gz XDHWTHYXVSPHNI-RHSMWYFYSA-N 1 0 335.492 2.675 20 10 EFCDRO COc1cccc(O)c1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898451111 1108944056 /nfs/dbraw/zinc/94/40/56/1108944056.db2.gz IFRTZQOYAVVCDV-SFHVURJKSA-N 1 0 343.471 2.859 20 10 EFCDRO CC(C)n1cc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000898451933 1108944070 /nfs/dbraw/zinc/94/40/70/1108944070.db2.gz RWZBRKILPIRTHW-LJQANCHMSA-N 1 0 329.492 2.923 20 10 EFCDRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449892 1108944254 /nfs/dbraw/zinc/94/42/54/1108944254.db2.gz LGDLZCPWOLAHCE-LPHOPBHVSA-N 1 0 348.535 2.592 20 10 EFCDRO Cc1cc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cnc1F ZINC000898446802 1108948339 /nfs/dbraw/zinc/94/83/39/1108948339.db2.gz BOHICECHCDGPPS-SFHVURJKSA-N 1 0 330.451 2.988 20 10 EFCDRO Cc1cc(F)ncc1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898447356 1108948343 /nfs/dbraw/zinc/94/83/43/1108948343.db2.gz IHBFNQHDQNJBPV-GOSISDBHSA-N 1 0 330.451 2.988 20 10 EFCDRO COc1cccc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1O ZINC000898452044 1108949288 /nfs/dbraw/zinc/94/92/88/1108949288.db2.gz SOAQMYHEWGITRR-SFHVURJKSA-N 1 0 343.471 2.859 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)N(C)C)cc1 ZINC000898448058 1108949464 /nfs/dbraw/zinc/94/94/64/1108949464.db2.gz OPRSPHBBQSAWEH-HAGHYFMRSA-N 1 0 343.515 2.903 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)N(C)C)cc1 ZINC000898448063 1108949672 /nfs/dbraw/zinc/94/96/72/1108949672.db2.gz OPRSPHBBQSAWEH-NMLBUPMWSA-N 1 0 343.515 2.903 20 10 EFCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898726534 1109067317 /nfs/dbraw/zinc/06/73/17/1109067317.db2.gz ZMPFGTRZWQMUOS-NSHDSACASA-N 1 0 340.196 2.595 20 10 EFCDRO CC[C@H]1CCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101366 1109202198 /nfs/dbraw/zinc/20/21/98/1109202198.db2.gz JTUUNFOETMQLGN-FUHWJXTLSA-N 1 0 332.492 2.939 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCC3(CCC3)C2)[NH+](C)C)cc1 ZINC000899105695 1109204388 /nfs/dbraw/zinc/20/43/88/1109204388.db2.gz YTOXVQLUERYGRZ-GOSISDBHSA-N 1 0 344.503 2.941 20 10 EFCDRO CC[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899100704 1109208392 /nfs/dbraw/zinc/20/83/92/1109208392.db2.gz BUZFNOAXXVZPFN-QAPCUYQASA-N 1 0 332.492 2.797 20 10 EFCDRO C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)[C@H]1C ZINC000899100514 1109208401 /nfs/dbraw/zinc/20/84/01/1109208401.db2.gz AKBPGGORAWEQGV-RVKKMQEKSA-N 1 0 332.492 2.795 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC(C)(C)C2CC2)[NH+](C)C)cc1 ZINC000899100575 1109208570 /nfs/dbraw/zinc/20/85/70/1109208570.db2.gz AOOKDCGIAKUMOF-QGZVFWFLSA-N 1 0 332.492 2.843 20 10 EFCDRO OCCC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000924751275 1109230182 /nfs/dbraw/zinc/23/01/82/1109230182.db2.gz KAXWBHRNCYXYLL-UYAOXDASSA-N 1 0 332.488 2.944 20 10 EFCDRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000192843292 1109341476 /nfs/dbraw/zinc/34/14/76/1109341476.db2.gz FHPZVFUBCNDPSC-CQSZACIVSA-N 1 0 340.489 2.555 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=S)NC2(C)CCC2)[NH+](C)C)cc1 ZINC000899724299 1109453468 /nfs/dbraw/zinc/45/34/68/1109453468.db2.gz LZMMSGGPKWLGSI-MRXNPFEDSA-N 1 0 334.533 2.762 20 10 EFCDRO CCOc1ccc(-n2c(C)cc(C(=O)CN(C)CCO)c2C)cc1 ZINC000153120199 1111127652 /nfs/dbraw/zinc/12/76/52/1111127652.db2.gz OYPVFGFBODNUIY-UHFFFAOYSA-N 1 0 330.428 2.600 20 10 EFCDRO CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(C)ccc1O)C2 ZINC001272623220 1111760061 /nfs/dbraw/zinc/76/00/61/1111760061.db2.gz XWWQWEIXEDAWAG-OXQOHEQNSA-N 1 0 346.471 2.550 20 10 EFCDRO CC[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2cccc(OC)c2O)C1=O ZINC001272622738 1111760246 /nfs/dbraw/zinc/76/02/46/1111760246.db2.gz QILOGPLXMVGMNN-KUHUBIRLSA-N 1 0 332.444 2.766 20 10 EFCDRO COc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC(C)C)CC2)c(O)c1 ZINC001272625308 1111764041 /nfs/dbraw/zinc/76/40/41/1111764041.db2.gz KFOBQABEEMSNMY-QGZVFWFLSA-N 1 0 346.471 2.775 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@]23CCN(C2CCCC2)C3=O)c(O)c1 ZINC001272626349 1111768625 /nfs/dbraw/zinc/76/86/25/1111768625.db2.gz WIUBSHGFZAPUKK-HXUWFJFHSA-N 1 0 344.455 2.910 20 10 EFCDRO CC[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2cc(OC)ccc2O)C1=O ZINC001272637755 1111788227 /nfs/dbraw/zinc/78/82/27/1111788227.db2.gz NANKNLCTCGFHEC-LIRRHRJNSA-N 1 0 332.444 2.766 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)NCC(C)C)CC2)c1 ZINC001272639272 1111798997 /nfs/dbraw/zinc/79/89/97/1111798997.db2.gz YAWJNDGFFGILFQ-QGZVFWFLSA-N 1 0 346.471 2.775 20 10 EFCDRO CC[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(O)c(C)c2O)C1=O ZINC001272658102 1111934815 /nfs/dbraw/zinc/93/48/15/1111934815.db2.gz VMLMNZAZSRAHPO-YJYMSZOUSA-N 1 0 332.444 2.772 20 10 EFCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@]23CCN(C2CCCC2)C3=O)c1O ZINC001272660790 1111953237 /nfs/dbraw/zinc/95/32/37/1111953237.db2.gz WHPFNLAJAGFSIP-HXUWFJFHSA-N 1 0 344.455 2.916 20 10 EFCDRO CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(O)c(C)c1O)CC2 ZINC001272660787 1111953430 /nfs/dbraw/zinc/95/34/30/1111953430.db2.gz WGFKFXCARVEWPM-MRXNPFEDSA-N 1 0 346.471 2.925 20 10 EFCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@]3(CCN(C4CCCC4)C3=O)C2)c1O ZINC001272660594 1111955260 /nfs/dbraw/zinc/95/52/60/1111955260.db2.gz UAJHFYJTDVMGKL-FQEVSTJZSA-N 1 0 344.455 2.773 20 10 EFCDRO CC1(C)CC(C[NH+]2CC(NC(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001031464722 1112107820 /nfs/dbraw/zinc/10/78/20/1112107820.db2.gz YUORELVVXOIEOZ-UHFFFAOYSA-N 1 0 343.431 2.699 20 10 EFCDRO COc1cc(CN(C)[C@]2(C)CCC[NH2+]C2)c(O)cc1Br ZINC001236204440 1112244576 /nfs/dbraw/zinc/24/45/76/1112244576.db2.gz ADLINPICUXKGGI-OAHLLOKOSA-N 1 0 343.265 2.737 20 10 EFCDRO Oc1cc(C[N@@H+]2CCC3(C2)CCOCC3)c(O)cc1Br ZINC001236775699 1117948216 /nfs/dbraw/zinc/94/82/16/1117948216.db2.gz OZIMWIQWFSTBJF-UHFFFAOYSA-N 1 0 342.233 2.863 20 10 EFCDRO C[C@H](CCNC(=O)NCc1ccc(N(C)C)cc1)[NH+]1CCCCC1 ZINC000182450019 1118608862 /nfs/dbraw/zinc/60/88/62/1118608862.db2.gz XMEFEOSLSHTECE-MRXNPFEDSA-N 1 0 332.492 2.816 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3ccc[nH]3)CC2(C)C)cc1C ZINC000995442894 1119887356 /nfs/dbraw/zinc/88/73/56/1119887356.db2.gz NBYICRODIQFUEX-SFHVURJKSA-N 1 0 341.455 2.972 20 10 EFCDRO CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001272741635 1120189190 /nfs/dbraw/zinc/18/91/90/1120189190.db2.gz FCZRHJPOMXVKLK-HNNXBMFYSA-N 1 0 335.879 2.754 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000185505233 1120216127 /nfs/dbraw/zinc/21/61/27/1120216127.db2.gz FDZQPJXBUAFATG-JKSUJKDBSA-N 1 0 332.488 2.890 20 10 EFCDRO CC[C@@H](C)C[NH+]1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001032215034 1120285778 /nfs/dbraw/zinc/28/57/78/1120285778.db2.gz DFNLEYUQAPXKMJ-GFCCVEGCSA-N 1 0 331.420 2.557 20 10 EFCDRO O=c1cc(CN(Cc2ccco2)Cc2ccccc2O)occ1O ZINC000072952729 1120332704 /nfs/dbraw/zinc/33/27/04/1120332704.db2.gz OAKZJWUCUUFSSM-UHFFFAOYSA-N 1 0 327.336 2.846 20 10 EFCDRO CCOc1cc(NC2CC[NH+](Cc3cc(F)ccc3O)CC2)ncn1 ZINC000185665333 1120429117 /nfs/dbraw/zinc/42/91/17/1120429117.db2.gz YRKVKWNFXZDOSZ-UHFFFAOYSA-N 1 0 346.406 2.797 20 10 EFCDRO Oc1cc2c(cc1CN1CCC[N@H+](Cc3ccccc3)CC1)OCO2 ZINC000073136321 1120697940 /nfs/dbraw/zinc/69/79/40/1120697940.db2.gz OWAGXKSLCFOASI-UHFFFAOYSA-N 1 0 340.423 2.829 20 10 EFCDRO CS(=O)(=O)Nc1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921508917 1120759883 /nfs/dbraw/zinc/75/98/83/1120759883.db2.gz OMTWHMILFFDEOI-UHFFFAOYSA-N 1 0 346.452 2.673 20 10 EFCDRO CC[C@H]([NH2+]CC(=O)NCC1CC1)c1cc(Br)ccc1O ZINC000157896105 529587859 /nfs/dbraw/zinc/58/78/59/529587859.db2.gz ZEBMJQQFHREXEU-ZDUSSCGKSA-N 1 0 341.249 2.722 20 10 EFCDRO CN1CCC([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000177386449 530050506 /nfs/dbraw/zinc/05/05/06/530050506.db2.gz PZAGLGBILDXDBH-OAHLLOKOSA-N 1 0 339.430 2.941 20 10 EFCDRO C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000186126890 299273608 /nfs/dbraw/zinc/27/36/08/299273608.db2.gz KERDXXXBYMGVTB-VHSSKADRSA-N 1 0 336.451 2.950 20 10 EFCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])N1CC[NH+](C)CC1 ZINC000185365922 295972004 /nfs/dbraw/zinc/97/20/04/295972004.db2.gz GTWDTKVGDYTZFI-RYUDHWBXSA-N 1 0 346.302 2.986 20 10 EFCDRO CC[C@@H]([NH2+]CC(=O)NC(C)C)c1cc(Br)ccc1O ZINC000036781613 213119281 /nfs/dbraw/zinc/11/92/81/213119281.db2.gz DRYPJBMWDWSVQL-GFCCVEGCSA-N 1 0 329.238 2.720 20 10 EFCDRO Cc1cc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)c(C)n1-c1ccccn1 ZINC000057710936 238771735 /nfs/dbraw/zinc/77/17/35/238771735.db2.gz FPWSULDCXAFRML-AWEZNQCLSA-N 1 0 326.444 2.702 20 10 EFCDRO C[C@H](CCn1cccn1)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000158685016 239014932 /nfs/dbraw/zinc/01/49/32/239014932.db2.gz NXDHVBOVTASROD-OAHLLOKOSA-N 1 0 346.450 2.552 20 10 EFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc[nH]1 ZINC000158069007 239004125 /nfs/dbraw/zinc/00/41/25/239004125.db2.gz MWJWUUSLUWIFLA-AWEZNQCLSA-N 1 0 333.819 2.768 20 10 EFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc[nH]1 ZINC000158068874 239004272 /nfs/dbraw/zinc/00/42/72/239004272.db2.gz MWJWUUSLUWIFLA-CQSZACIVSA-N 1 0 333.819 2.768 20 10 EFCDRO C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000171130744 239138094 /nfs/dbraw/zinc/13/80/94/239138094.db2.gz PCLPTEOIFWQFIU-HNNXBMFYSA-N 1 0 349.475 2.699 20 10 EFCDRO O=C(NCCC[NH+]1CCCCC1)NCc1ccc(N2CC=CC2)cc1 ZINC000172596385 239173218 /nfs/dbraw/zinc/17/32/18/239173218.db2.gz BZEGBTODCFQOME-UHFFFAOYSA-N 1 0 342.487 2.738 20 10 EFCDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000176301491 239309290 /nfs/dbraw/zinc/30/92/90/239309290.db2.gz XHAMKSKGRHQDRU-PKOBYXMFSA-N 1 0 342.487 2.735 20 10 EFCDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000176301505 239309867 /nfs/dbraw/zinc/30/98/67/239309867.db2.gz XHAMKSKGRHQDRU-HKUYNNGSSA-N 1 0 342.487 2.735 20 10 EFCDRO COc1ccc2ccc(O)c(C[NH+]3CCN(C(=O)C4CC4)CC3)c2c1 ZINC000023717516 212392218 /nfs/dbraw/zinc/39/22/18/212392218.db2.gz DJXQMVAKRZSPNE-UHFFFAOYSA-N 1 0 340.423 2.608 20 10 EFCDRO C[C@@H](O)[C@](C)(C[NH2+]Cc1cc2c(cc1O)OCO2)Cc1ccccc1 ZINC000191709355 240003619 /nfs/dbraw/zinc/00/36/19/240003619.db2.gz KLBIWXMWGHSFBY-VLIAUNLRSA-N 1 0 343.423 2.840 20 10 EFCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000192027096 240020387 /nfs/dbraw/zinc/02/03/87/240020387.db2.gz JXQUCKPEHHRYIR-LJQANCHMSA-N 1 0 344.430 2.912 20 10 EFCDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccc(O)c1O ZINC000192899682 240071855 /nfs/dbraw/zinc/07/18/55/240071855.db2.gz KNWAQMFBYPWLNV-UHFFFAOYSA-N 1 0 326.396 2.624 20 10 EFCDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)cc(C)c2O)C1 ZINC000193504622 240110267 /nfs/dbraw/zinc/11/02/67/240110267.db2.gz UDORLPPVGNOSIZ-GXFFZTMASA-N 1 0 342.233 2.894 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)c2ccc(C)cc2)c1 ZINC000193911909 240129460 /nfs/dbraw/zinc/12/94/60/240129460.db2.gz OFQRCIHMWHKNMG-CQSZACIVSA-N 1 0 328.412 2.790 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)C1CC[NH+](C2CC2)CC1 ZINC000194249477 240145582 /nfs/dbraw/zinc/14/55/82/240145582.db2.gz IQFCYVUADJLTPG-UHFFFAOYSA-N 1 0 327.472 2.777 20 10 EFCDRO C=Cn1cc(C[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)c(F)c2)cn1 ZINC000194301371 240149115 /nfs/dbraw/zinc/14/91/15/240149115.db2.gz NAVRWOBSVJBIRA-UHFFFAOYSA-N 1 0 343.450 2.554 20 10 EFCDRO Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c(C)n1-c1ccccn1 ZINC000237772759 240246052 /nfs/dbraw/zinc/24/60/52/240246052.db2.gz SRDLDMOKHGJJEY-WBVHZDCISA-N 1 0 326.444 2.736 20 10 EFCDRO Cc1ccc([C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)N2CCCC2)o1 ZINC000237652105 240246072 /nfs/dbraw/zinc/24/60/72/240246072.db2.gz CPOLQSLMUIUDNG-HNNXBMFYSA-N 1 0 344.411 2.949 20 10 EFCDRO O=C1CCCN1c1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000238133325 240250927 /nfs/dbraw/zinc/25/09/27/240250927.db2.gz XSLUKENOHGSQSH-UHFFFAOYSA-N 1 0 340.379 2.538 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000236917868 240235817 /nfs/dbraw/zinc/23/58/17/240235817.db2.gz AJBHXFDOJVJBGK-MFKMUULPSA-N 1 0 341.249 2.631 20 10 EFCDRO CC[NH2+]CC1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000236851292 240235852 /nfs/dbraw/zinc/23/58/52/240235852.db2.gz NSZRFDJWNWNSAK-UHFFFAOYSA-N 1 0 340.471 2.951 20 10 EFCDRO C[NH+](C)CCn1ccc2ccc(NC(=O)Cc3ccc(N)cc3)cc21 ZINC000237000184 240238572 /nfs/dbraw/zinc/23/85/72/240238572.db2.gz TYWNEDGTRMFDAR-UHFFFAOYSA-N 1 0 336.439 2.966 20 10 EFCDRO COc1cccc([C@H](C[NH2+]Cc2cc(OC)ccc2O)N(C)C)c1 ZINC000237329156 240242591 /nfs/dbraw/zinc/24/25/91/240242591.db2.gz LDEMDNRYXKDCDI-SFHVURJKSA-N 1 0 330.428 2.802 20 10 EFCDRO C[C@H](CCNC(=O)Cc1ccc(N)cc1)[N@H+](C)Cc1ccccc1 ZINC000237456993 240243400 /nfs/dbraw/zinc/24/34/00/240243400.db2.gz XHUFDZBEVPNCHO-MRXNPFEDSA-N 1 0 325.456 2.838 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1O ZINC000245551433 240258372 /nfs/dbraw/zinc/25/83/72/240258372.db2.gz BHISQYYMSXKRPW-JFIYKMOQSA-N 1 0 348.487 2.865 20 10 EFCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCCN1CCC(O)CC1 ZINC000263880329 240391003 /nfs/dbraw/zinc/39/10/03/240391003.db2.gz BUIYUHNUBPJAJK-UHFFFAOYSA-N 1 0 340.467 2.996 20 10 EFCDRO C[C@H](CN1CCOCC1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000263722360 240389211 /nfs/dbraw/zinc/38/92/11/240389211.db2.gz WLHNGPMERNZXIL-MRXNPFEDSA-N 1 0 326.440 2.870 20 10 EFCDRO C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@H]1OCCc2ccccc21 ZINC000263853707 240390358 /nfs/dbraw/zinc/39/03/58/240390358.db2.gz ZIQQNMMAKVXZJJ-LJQANCHMSA-N 1 0 327.380 2.867 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268852394 240560322 /nfs/dbraw/zinc/56/03/22/240560322.db2.gz BYNAFDLHNFTBIJ-AUUYWEPGSA-N 1 0 346.450 2.934 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@@H]1CCOC1 ZINC000268900205 240562886 /nfs/dbraw/zinc/56/28/86/240562886.db2.gz WHWABCVBEJEFBH-JYYAWHABSA-N 1 0 336.451 2.954 20 10 EFCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000273294516 240691373 /nfs/dbraw/zinc/69/13/73/240691373.db2.gz SUOXBLFAKUOZKI-INIZCTEOSA-N 1 0 347.503 2.648 20 10 EFCDRO COc1cc(C[NH2+][C@@H](C)c2cc(C)ccc2O)ccc1OCCO ZINC000273387170 240695235 /nfs/dbraw/zinc/69/52/35/240695235.db2.gz JWZBMOAIIFPQBB-AWEZNQCLSA-N 1 0 331.412 2.931 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000275664710 240757430 /nfs/dbraw/zinc/75/74/30/240757430.db2.gz PBMKGWLPGMLJOF-MRXNPFEDSA-N 1 0 342.443 2.566 20 10 EFCDRO Brc1cnn(CCC[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000288412967 241008576 /nfs/dbraw/zinc/00/85/76/241008576.db2.gz IZJDQZLCRNSOKT-UHFFFAOYSA-N 1 0 336.233 2.760 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CCCn2cc(Br)cn2)cc1 ZINC000288371608 241009024 /nfs/dbraw/zinc/00/90/24/241009024.db2.gz FDFRYOYSVDHPBD-UHFFFAOYSA-N 1 0 337.265 2.892 20 10 EFCDRO Cc1ccc(O)c(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)c1 ZINC000288454940 241010887 /nfs/dbraw/zinc/01/08/87/241010887.db2.gz NGYRIPBUVGXZCO-OAHLLOKOSA-N 1 0 328.412 2.801 20 10 EFCDRO CCC[N@H+](CC)C[C@@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000290893005 241022101 /nfs/dbraw/zinc/02/21/01/241022101.db2.gz LNJFDHAVWUNEPQ-GFCCVEGCSA-N 1 0 325.409 2.519 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)c(O)c1 ZINC000291636446 241025613 /nfs/dbraw/zinc/02/56/13/241025613.db2.gz BBTSIEVOCAJAPD-NVXWUHKLSA-N 1 0 341.473 2.626 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccccc1O ZINC000295970941 241069699 /nfs/dbraw/zinc/06/96/99/241069699.db2.gz NUXPZFKHYNSVLL-ZIAGYGMSSA-N 1 0 336.432 2.679 20 10 EFCDRO CCNC(=O)COc1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000296161342 241076499 /nfs/dbraw/zinc/07/64/99/241076499.db2.gz XHWDFUFTYLKXDF-KRWDZBQOSA-N 1 0 340.423 2.684 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1F ZINC000297398032 241120389 /nfs/dbraw/zinc/12/03/89/241120389.db2.gz XIMXRSDBWQWZHX-LJQANCHMSA-N 1 0 348.466 2.519 20 10 EFCDRO O=C1[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CCCN1Cc1ccccn1 ZINC000296498360 241088281 /nfs/dbraw/zinc/08/82/81/241088281.db2.gz PZZDHEJGOXSALV-IRXDYDNUSA-N 1 0 337.423 2.555 20 10 EFCDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000296546845 241090741 /nfs/dbraw/zinc/09/07/41/241090741.db2.gz YJXZEOMBETVOHR-BVBGJJFLSA-N 1 0 332.444 2.738 20 10 EFCDRO O=C1[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CCCN1CC(F)(F)F ZINC000296664373 241094865 /nfs/dbraw/zinc/09/48/65/241094865.db2.gz FLEQSQOGVOKWPX-NWDGAFQWSA-N 1 0 328.334 2.522 20 10 EFCDRO COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295581299 241058112 /nfs/dbraw/zinc/05/81/12/241058112.db2.gz SDDASLMRVZJIQQ-HNNXBMFYSA-N 1 0 334.460 2.543 20 10 EFCDRO Cc1cc(C(=O)NCC(C)(C)C[NH+](C)C)c(C)n1-c1ccccn1 ZINC000298652869 241156154 /nfs/dbraw/zinc/15/61/54/241156154.db2.gz KTPURIVAKVHNHE-UHFFFAOYSA-N 1 0 328.460 2.807 20 10 EFCDRO Cc1cc(C(=O)NCC[NH+]2CCCCC2)c(C)n1-c1ccccn1 ZINC000298781658 241159418 /nfs/dbraw/zinc/15/94/18/241159418.db2.gz GPUPBNJZILEGEC-UHFFFAOYSA-N 1 0 326.444 2.705 20 10 EFCDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299388054 241176595 /nfs/dbraw/zinc/17/65/95/241176595.db2.gz RIAAITKAMWEJJQ-MOPGFXCFSA-N 1 0 347.503 2.552 20 10 EFCDRO C[C@@H](CNC(=O)NCc1ccccc1O)N1CCc2sccc2C1 ZINC000299486429 241179289 /nfs/dbraw/zinc/17/92/89/241179289.db2.gz IJCMXTIZDCDHRH-ZDUSSCGKSA-N 1 0 345.468 2.700 20 10 EFCDRO Cc1cccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)c1O ZINC000362042071 242240539 /nfs/dbraw/zinc/24/05/39/242240539.db2.gz SYZGMLOCHJASPA-QYZOEREBSA-N 1 0 336.435 2.947 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1cc2c(cc1O)CCCC2 ZINC000363866856 242284700 /nfs/dbraw/zinc/28/47/00/242284700.db2.gz JKKIUWOYSHRUEP-RHSMWYFYSA-N 1 0 340.471 2.934 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363913165 242285423 /nfs/dbraw/zinc/28/54/23/242285423.db2.gz GRGORBWZKHWUJZ-IEBWSBKVSA-N 1 0 344.503 2.911 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000366542429 242357376 /nfs/dbraw/zinc/35/73/76/242357376.db2.gz CRYPMRONHZJDDY-IBGZPJMESA-N 1 0 330.472 2.772 20 10 EFCDRO COc1cc(Br)cc(C[NH+]2CCC3(CCO3)CC2)c1O ZINC000367074226 242373543 /nfs/dbraw/zinc/37/35/43/242373543.db2.gz WYAXIXABAKWYGG-UHFFFAOYSA-N 1 0 342.233 2.918 20 10 EFCDRO CC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@@H](O)C(F)(F)F ZINC000378405926 242529873 /nfs/dbraw/zinc/52/98/73/242529873.db2.gz SOKSORNVDYOBLP-JKSUJKDBSA-N 1 0 346.393 2.955 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422618092 246405101 /nfs/dbraw/zinc/40/51/01/246405101.db2.gz LAOIECRCFVTVCT-UHFFFAOYSA-N 1 0 326.444 2.524 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@]3(CCc4ccccc43)C1)OCO2 ZINC000157202351 285382105 /nfs/dbraw/zinc/38/21/05/285382105.db2.gz ZLQYAMCIJSPSFH-HXUWFJFHSA-N 1 0 339.391 2.795 20 10 EFCDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000160967090 533586590 /nfs/dbraw/zinc/58/65/90/533586590.db2.gz SDYIDYRRXRDHRV-OAHLLOKOSA-N 1 0 341.455 2.728 20 10 EFCDRO CSCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000167863403 533605209 /nfs/dbraw/zinc/60/52/09/533605209.db2.gz VMWICEHQISAORC-QGZVFWFLSA-N 1 0 335.517 2.620 20 10 EFCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177427669 533617921 /nfs/dbraw/zinc/61/79/21/533617921.db2.gz QGYMOKIUJIVOCW-MRXNPFEDSA-N 1 0 325.792 2.633 20 10 EFCDRO C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192618913 287024883 /nfs/dbraw/zinc/02/48/83/287024883.db2.gz MISARNPRMYGUJK-GFCCVEGCSA-N 1 0 346.302 2.987 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc(N(C)C)cc1 ZINC000324288016 287058865 /nfs/dbraw/zinc/05/88/65/287058865.db2.gz MPLZNJKHRDVFPQ-RDTXWAMCSA-N 1 0 328.460 2.670 20 10 EFCDRO C[C@@H]([NH2+][C@H](Cc1ccccc1)CN1CCOCC1)c1ccccc1O ZINC000183508470 287064751 /nfs/dbraw/zinc/06/47/51/287064751.db2.gz RDQHBKJVJZNTIY-IEBWSBKVSA-N 1 0 340.467 2.986 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000092506644 544546555 /nfs/dbraw/zinc/54/65/55/544546555.db2.gz BHISQYYMSXKRPW-JZXOWHBKSA-N 1 0 348.487 2.865 20 10 EFCDRO Oc1cccc(Cl)c1C[NH2+]Cc1cccnc1N1CCOCC1 ZINC000113320365 544569173 /nfs/dbraw/zinc/56/91/73/544569173.db2.gz HFSBGOQIGPOXHU-UHFFFAOYSA-N 1 0 333.819 2.567 20 10 EFCDRO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C[N@@H+]1C1CC1 ZINC000127329613 544630238 /nfs/dbraw/zinc/63/02/38/544630238.db2.gz UAPZWUMYSWZKRW-ZBFHGGJFSA-N 1 0 330.476 2.519 20 10 EFCDRO COC(=O)c1coc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000171108923 277170950 /nfs/dbraw/zinc/17/09/50/277170950.db2.gz DNEAHRVFYLPJAR-UHFFFAOYSA-N 1 0 344.411 2.535 20 10 EFCDRO CNC(=O)C(C)(C)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280189206 277222159 /nfs/dbraw/zinc/22/21/59/277222159.db2.gz HCCMLIHWPOEWOR-UHFFFAOYSA-N 1 0 331.382 2.633 20 10 EFCDRO COc1cccc(CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1O ZINC000072293210 278012008 /nfs/dbraw/zinc/01/20/08/278012008.db2.gz OYTBTCWPDKCBSD-ZDUSSCGKSA-N 1 0 349.456 2.564 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(N2CCOCC2)cc1 ZINC000280091970 278384121 /nfs/dbraw/zinc/38/41/21/278384121.db2.gz MLOMKRBUDDORGP-BEFAXECRSA-N 1 0 340.471 2.985 20 10 EFCDRO c1cc(C[NH2+]CC2(N3CCCCC3)CCOCC2)cc2c1OCC2 ZINC000111403956 473210700 /nfs/dbraw/zinc/21/07/00/473210700.db2.gz PKHRFZCGWNQNIF-UHFFFAOYSA-N 1 0 330.472 2.746 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(=O)c3ccco3)CC2)c1 ZINC000184966932 473285698 /nfs/dbraw/zinc/28/56/98/473285698.db2.gz SNLLSWWYFBIFCR-ZDUSSCGKSA-N 1 0 344.411 2.949 20 10 EFCDRO CC(C)NC(=O)CC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000184981549 473289762 /nfs/dbraw/zinc/28/97/62/473289762.db2.gz CUFDNUWLNZMZIR-JTQLQIEISA-N 1 0 329.238 2.720 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c(O)c1 ZINC000184992276 473295271 /nfs/dbraw/zinc/29/52/71/473295271.db2.gz QXITWZQGZHGGRY-QFBILLFUSA-N 1 0 340.467 2.770 20 10 EFCDRO Oc1ccc2ccccc2c1C[NH+]1CCN(C2CCOCC2)CC1 ZINC000083114954 473322328 /nfs/dbraw/zinc/32/23/28/473322328.db2.gz QMERZMVPSIUVRS-UHFFFAOYSA-N 1 0 326.440 2.842 20 10 EFCDRO COc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000185201141 473360799 /nfs/dbraw/zinc/36/07/99/473360799.db2.gz CYAPOGZSSUDVQP-CQSZACIVSA-N 1 0 328.412 2.790 20 10 EFCDRO CC[C@H]([NH2+]CC(C)(C)C(=O)NC)c1cc(Br)ccc1O ZINC000185214193 473364191 /nfs/dbraw/zinc/36/41/91/473364191.db2.gz MWMBZZKCTGFFTL-LBPRGKRZSA-N 1 0 343.265 2.968 20 10 EFCDRO COCCN(C)c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cn1 ZINC000190698272 473366138 /nfs/dbraw/zinc/36/61/38/473366138.db2.gz YQDUUGSLIWRLAF-UHFFFAOYSA-N 1 0 328.460 2.520 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)c1 ZINC000185303609 473390216 /nfs/dbraw/zinc/39/02/16/473390216.db2.gz IUSNHVYEVQFLDQ-AWEZNQCLSA-N 1 0 328.412 2.877 20 10 EFCDRO COc1ccc(OCC[N@H+](C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000008036425 471657250 /nfs/dbraw/zinc/65/72/50/471657250.db2.gz LANMDXHRDJGWMW-UHFFFAOYSA-N 1 0 331.368 2.640 20 10 EFCDRO C[N@H+](CCCN1CCOCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000075611443 472169529 /nfs/dbraw/zinc/16/95/29/472169529.db2.gz JWYUAVIDZUVIQZ-UHFFFAOYSA-N 1 0 331.504 2.831 20 10 EFCDRO COc1ccc(N2CCC[N@H+](Cc3ccc(OC)nc3)CC2)cc1 ZINC000085787558 472266272 /nfs/dbraw/zinc/26/62/72/472266272.db2.gz ARLQRKPHIWIANK-UHFFFAOYSA-N 1 0 327.428 2.811 20 10 EFCDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000068964576 472272567 /nfs/dbraw/zinc/27/25/67/472272567.db2.gz LOWNBKCKAUPAMK-KGLIPLIRSA-N 1 0 348.443 2.638 20 10 EFCDRO COc1ccccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000076275589 472311911 /nfs/dbraw/zinc/31/19/11/472311911.db2.gz HYXRFKSOYHCUMU-UHFFFAOYSA-N 1 0 326.440 2.946 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1 ZINC000128134024 472406909 /nfs/dbraw/zinc/40/69/09/472406909.db2.gz YCRLDAWYNKXRSR-SFHVURJKSA-N 1 0 327.428 2.626 20 10 EFCDRO C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(N(C)C)cc1 ZINC000154412039 472430760 /nfs/dbraw/zinc/43/07/60/472430760.db2.gz MQYOUAXXXHZPKE-QFBILLFUSA-N 1 0 349.544 2.611 20 10 EFCDRO CC(=O)NC1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000155191033 472518294 /nfs/dbraw/zinc/51/82/94/472518294.db2.gz VANOLZNKCQGJKF-VNCLNFNDSA-N 1 0 345.487 2.621 20 10 EFCDRO COC(=O)c1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000070976717 472530800 /nfs/dbraw/zinc/53/08/00/472530800.db2.gz QDQLXPIXWNROFW-OAHLLOKOSA-N 1 0 345.395 2.953 20 10 EFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1O ZINC000119294642 472543953 /nfs/dbraw/zinc/54/39/53/472543953.db2.gz MKLDVSRRBGKIQM-ZDUSSCGKSA-N 1 0 348.834 2.752 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3c(C)nn(C)c3C)CC2)cc1 ZINC000102432723 472576974 /nfs/dbraw/zinc/57/69/74/472576974.db2.gz QADWXVREVIDUMM-UHFFFAOYSA-N 1 0 328.460 2.804 20 10 EFCDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC000130247654 472591950 /nfs/dbraw/zinc/59/19/50/472591950.db2.gz SMNYQLQICGFVFX-HOTGVXAUSA-N 1 0 325.836 2.798 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000077781566 472611605 /nfs/dbraw/zinc/61/16/05/472611605.db2.gz PQBXDIHXMVIZDJ-IBGZPJMESA-N 1 0 344.503 2.913 20 10 EFCDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000120055854 472623047 /nfs/dbraw/zinc/62/30/47/472623047.db2.gz HDHOBVLPYNIBHU-HNNXBMFYSA-N 1 0 345.464 2.882 20 10 EFCDRO CCN(CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000155890200 472634570 /nfs/dbraw/zinc/63/45/70/472634570.db2.gz HCUQGYHXLUAVSS-OAHLLOKOSA-N 1 0 335.467 2.797 20 10 EFCDRO CCN(CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000155890080 472634802 /nfs/dbraw/zinc/63/48/02/472634802.db2.gz HCUQGYHXLUAVSS-HNNXBMFYSA-N 1 0 335.467 2.797 20 10 EFCDRO C[C@@]1(c2ccccc2)C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000120159535 472640548 /nfs/dbraw/zinc/64/05/48/472640548.db2.gz QZCYEIIBCLWJMX-IBGZPJMESA-N 1 0 327.380 2.869 20 10 EFCDRO C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(N2CCCCC2)cc1 ZINC000090884919 472662983 /nfs/dbraw/zinc/66/29/83/472662983.db2.gz VWEWWYRHTXWHOX-HNAYVOBHSA-N 1 0 328.460 2.795 20 10 EFCDRO C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(N2CCCCC2)cc1 ZINC000090884917 472663128 /nfs/dbraw/zinc/66/31/28/472663128.db2.gz VWEWWYRHTXWHOX-KXBFYZLASA-N 1 0 328.460 2.795 20 10 EFCDRO COc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)ccn1 ZINC000131694378 472686977 /nfs/dbraw/zinc/68/69/77/472686977.db2.gz MUIQMRSNLMFMPF-CQSZACIVSA-N 1 0 345.418 2.917 20 10 EFCDRO CCc1cc(=O)[nH]c(CN(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000120476372 472695885 /nfs/dbraw/zinc/69/58/85/472695885.db2.gz DPQLQYNNFHDEJC-MRXNPFEDSA-N 1 0 343.427 2.631 20 10 EFCDRO C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000132121701 472715956 /nfs/dbraw/zinc/71/59/56/472715956.db2.gz QBCIKPRSXNXQLP-OAHLLOKOSA-N 1 0 337.483 2.901 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCN3CCC[C@H](C)C3)CC2)cc1 ZINC000156682339 472739200 /nfs/dbraw/zinc/73/92/00/472739200.db2.gz OKIJYSBJSOFTEG-KRWDZBQOSA-N 1 0 331.504 2.986 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000105269204 472739285 /nfs/dbraw/zinc/73/92/85/472739285.db2.gz RULNBBKQQROLTM-HNNXBMFYSA-N 1 0 332.492 2.767 20 10 EFCDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]Cc1ccccc1O ZINC000105432773 472752811 /nfs/dbraw/zinc/75/28/11/472752811.db2.gz VPBSKHGTVZWFBH-UHFFFAOYSA-N 1 0 348.468 2.510 20 10 EFCDRO Oc1ccc(Br)cc1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000105493125 472754008 /nfs/dbraw/zinc/75/40/08/472754008.db2.gz PIOXLYFWPNFBLA-OAHLLOKOSA-N 1 0 336.229 2.848 20 10 EFCDRO COc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1O ZINC000105650240 472765751 /nfs/dbraw/zinc/76/57/51/472765751.db2.gz DXMLROWOZJLAHI-QGZVFWFLSA-N 1 0 340.423 2.682 20 10 EFCDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000157091187 472785907 /nfs/dbraw/zinc/78/59/07/472785907.db2.gz JACAPCNDYOUWFT-LJQANCHMSA-N 1 0 347.503 2.504 20 10 EFCDRO C[C@H]([NH2+]CCc1cccnc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000133476958 472807835 /nfs/dbraw/zinc/80/78/35/472807835.db2.gz PNRDHTJZDIQOEH-HNNXBMFYSA-N 1 0 329.419 2.951 20 10 EFCDRO c1cc([C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)n[nH]1 ZINC000121216241 472818194 /nfs/dbraw/zinc/81/81/94/472818194.db2.gz NJLCLVWWXYOILD-QGZVFWFLSA-N 1 0 326.444 2.626 20 10 EFCDRO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1)OCO2 ZINC000091958895 472831468 /nfs/dbraw/zinc/83/14/68/472831468.db2.gz ZLXYXNFARGBQRO-ZFWWWQNUSA-N 1 0 331.368 2.802 20 10 EFCDRO COc1cccc(CNC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1O ZINC000073662112 472848612 /nfs/dbraw/zinc/84/86/12/472848612.db2.gz MWHDBRDPUAKMDZ-HUUCEWRRSA-N 1 0 349.475 2.568 20 10 EFCDRO COc1cccc(CNC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1O ZINC000073662108 472849496 /nfs/dbraw/zinc/84/94/96/472849496.db2.gz MWHDBRDPUAKMDZ-GJZGRUSLSA-N 1 0 349.475 2.568 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3C=CCC3)cc2F)CC1 ZINC000106702651 472883304 /nfs/dbraw/zinc/88/33/04/472883304.db2.gz IHWRPFQWFTVOKS-MRXNPFEDSA-N 1 0 345.462 2.940 20 10 EFCDRO CCO[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158039000 472885966 /nfs/dbraw/zinc/88/59/66/472885966.db2.gz JLLISBMWBXKGOZ-WFASDCNBSA-N 1 0 340.851 2.551 20 10 EFCDRO CO[C@H](C)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134261169 472889983 /nfs/dbraw/zinc/88/99/83/472889983.db2.gz YTJBWMMSKIOZRN-DOMZBBRYSA-N 1 0 340.851 2.551 20 10 EFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccncc1 ZINC000158078706 472891027 /nfs/dbraw/zinc/89/10/27/472891027.db2.gz AQUYJPDGNFRTOP-MRXNPFEDSA-N 1 0 345.830 2.835 20 10 EFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccccn1 ZINC000158110785 472893398 /nfs/dbraw/zinc/89/33/98/472893398.db2.gz WXHGGRVWTRFXFR-OAHLLOKOSA-N 1 0 345.830 2.835 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCCN(c3nccs3)CC2)c1O ZINC000092482582 472921528 /nfs/dbraw/zinc/92/15/28/472921528.db2.gz IRJXOWZECGBFPA-UHFFFAOYSA-N 1 0 333.457 2.960 20 10 EFCDRO CC(C)[NH+]1CCC(C(=O)N2CCOc3cc(N(C)C)ccc32)CC1 ZINC000074191358 472959633 /nfs/dbraw/zinc/95/96/33/472959633.db2.gz QXCSGFRYHOLEBP-UHFFFAOYSA-N 1 0 331.460 2.598 20 10 EFCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000092707941 472970459 /nfs/dbraw/zinc/97/04/59/472970459.db2.gz TUKMLPFHKGLJLP-OAHLLOKOSA-N 1 0 334.460 2.919 20 10 EFCDRO COc1cccc([C@H](C[NH2+]Cc2cccc(OC)c2O)N(C)C)c1 ZINC000074314402 472984143 /nfs/dbraw/zinc/98/41/43/472984143.db2.gz ZOMMVXSNTIWHFT-KRWDZBQOSA-N 1 0 330.428 2.802 20 10 EFCDRO COc1cccc(C[NH2+]CCOc2ncccc2C(F)(F)F)c1O ZINC000122906143 473072446 /nfs/dbraw/zinc/07/24/46/473072446.db2.gz CIKTYESOTVNGCQ-UHFFFAOYSA-N 1 0 342.317 2.983 20 10 EFCDRO COc1cccc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1O ZINC000123077491 473093825 /nfs/dbraw/zinc/09/38/25/473093825.db2.gz LAFDKTJLSPHKFU-UHFFFAOYSA-N 1 0 340.423 2.795 20 10 EFCDRO NC(=O)c1cccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000109761732 473119554 /nfs/dbraw/zinc/11/95/54/473119554.db2.gz XDOLOKYVBHNHJD-GOSISDBHSA-N 1 0 340.423 2.672 20 10 EFCDRO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+](C)Cc1ccccc1O ZINC000109770659 473119600 /nfs/dbraw/zinc/11/96/00/473119600.db2.gz CREYFBDDTAIVNZ-CYBMUJFWSA-N 1 0 330.453 2.859 20 10 EFCDRO CCOc1ccc(O)c(C[NH+]2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)c1 ZINC000093614226 473126018 /nfs/dbraw/zinc/12/60/18/473126018.db2.gz YQQPMBRZKFPDRA-ROUUACIJSA-N 1 0 335.444 2.543 20 10 EFCDRO CCCOc1ccc(C[NH+]2CCC(N3CCCNC3=O)CC2)c(O)c1 ZINC000093669415 473133079 /nfs/dbraw/zinc/13/30/79/473133079.db2.gz FWKZNCNZJPPEFO-UHFFFAOYSA-N 1 0 347.459 2.561 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCCN(c3nc(C)ns3)CC2)c1 ZINC000093717137 473136625 /nfs/dbraw/zinc/13/66/25/473136625.db2.gz JRHHGAMHHFIWIY-UHFFFAOYSA-N 1 0 348.472 2.663 20 10 EFCDRO Cc1nsc(N2CCC[N@@H+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000093716595 473136838 /nfs/dbraw/zinc/13/68/38/473136838.db2.gz PBFZPCYMDBKAMG-UHFFFAOYSA-N 1 0 331.489 2.625 20 10 EFCDRO COc1cccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1O ZINC000093842361 473153143 /nfs/dbraw/zinc/15/31/43/473153143.db2.gz VIPMHAKRURUITP-QGZVFWFLSA-N 1 0 335.444 2.951 20 10 EFCDRO CCCOc1ccc(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)c(O)c1 ZINC000123596516 473162525 /nfs/dbraw/zinc/16/25/25/473162525.db2.gz XEXXNYWDUOIAHQ-UHFFFAOYSA-N 1 0 334.460 2.871 20 10 EFCDRO Oc1cccc(Cl)c1CNC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000136579033 473164809 /nfs/dbraw/zinc/16/48/09/473164809.db2.gz MJXWVFQMCREFFF-SJLPKXTDSA-N 1 0 338.879 2.903 20 10 EFCDRO Cc1ccccc1CCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000111236241 473198449 /nfs/dbraw/zinc/19/84/49/473198449.db2.gz BGADNVGAEDBNML-INIZCTEOSA-N 1 0 326.440 2.880 20 10 EFCDRO C[C@@H]([NH2+]CCSCCCO)c1cc(Br)ccc1O ZINC000185378384 473409359 /nfs/dbraw/zinc/40/93/59/473409359.db2.gz NKFIZLHPMNVTCY-SNVBAGLBSA-N 1 0 334.279 2.921 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1cc(F)ccc1O ZINC000185375415 473410143 /nfs/dbraw/zinc/41/01/43/473410143.db2.gz QHWZONQKUBQFLZ-ZYHUDNBSSA-N 1 0 341.329 2.900 20 10 EFCDRO COc1cccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC000190857649 473411045 /nfs/dbraw/zinc/41/10/45/473411045.db2.gz RBSUTYZCGZVKLX-UHFFFAOYSA-N 1 0 341.455 2.589 20 10 EFCDRO COc1ncccc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000151134918 473413365 /nfs/dbraw/zinc/41/33/65/473413365.db2.gz HLDYWWCHCNCQJY-OAHLLOKOSA-N 1 0 327.428 2.778 20 10 EFCDRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185466771 473434701 /nfs/dbraw/zinc/43/47/01/473434701.db2.gz CVBHJNCHHLBTIY-QMTHXVAHSA-N 1 0 332.238 2.593 20 10 EFCDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000185487627 473440264 /nfs/dbraw/zinc/44/02/64/473440264.db2.gz ANKPXDAFYUNUKQ-BBATYDOGSA-N 1 0 335.375 2.933 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000151349215 473445617 /nfs/dbraw/zinc/44/56/17/473445617.db2.gz OTZDWALWLVAREU-MJGOQNOKSA-N 1 0 348.512 2.668 20 10 EFCDRO C[C@H]1CCC[N@H+](CCNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000125814259 473459867 /nfs/dbraw/zinc/45/98/67/473459867.db2.gz ONLDHYNXFZIXHT-KRWDZBQOSA-N 1 0 342.487 2.594 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)c1 ZINC000185649857 473478807 /nfs/dbraw/zinc/47/88/07/473478807.db2.gz OHPYRESBHJGGHP-CYBMUJFWSA-N 1 0 349.452 2.796 20 10 EFCDRO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000126055541 473482947 /nfs/dbraw/zinc/48/29/47/473482947.db2.gz JLHKCCAKKHAUDS-KBXCAEBGSA-N 1 0 340.471 2.901 20 10 EFCDRO CC[C@@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)C(=O)N1CCOCC1 ZINC000185665284 473483001 /nfs/dbraw/zinc/48/30/01/473483001.db2.gz GNUANOKGFZGLHY-RDTXWAMCSA-N 1 0 346.471 2.559 20 10 EFCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H](c1ccccc1)N(C)C ZINC000185680037 473487392 /nfs/dbraw/zinc/48/73/92/473487392.db2.gz LGNVSDPYPFRQHW-YJYMSZOUSA-N 1 0 328.412 2.902 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCN(c3cnn(C)c3)CC2)cc1 ZINC000126128458 473491380 /nfs/dbraw/zinc/49/13/80/473491380.db2.gz MJYBKSLEHMBCKB-UHFFFAOYSA-N 1 0 327.476 2.589 20 10 EFCDRO C[C@@H]([NH2+]CCCn1cccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000127018292 473568615 /nfs/dbraw/zinc/56/86/15/473568615.db2.gz TXHANMSYFMGYAU-OAHLLOKOSA-N 1 0 332.423 2.600 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)cc1F ZINC000127110901 473577222 /nfs/dbraw/zinc/57/72/22/473577222.db2.gz XLVUMZPHSJTETB-SFHVURJKSA-N 1 0 346.450 2.571 20 10 EFCDRO COC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000186049814 473579504 /nfs/dbraw/zinc/57/95/04/473579504.db2.gz ICTNXXUSOBWJCD-GFCCVEGCSA-N 1 0 333.359 2.934 20 10 EFCDRO C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[C@@H]([NH3+])c1ccccc1 ZINC000178863277 473580662 /nfs/dbraw/zinc/58/06/62/473580662.db2.gz ZZDUFMDUFICLPV-IFXJQAMLSA-N 1 0 339.439 2.814 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cc(F)ccc1O ZINC000186144738 473599692 /nfs/dbraw/zinc/59/96/92/473599692.db2.gz HRVULQDTYMUXDU-CABZTGNLSA-N 1 0 334.313 2.735 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1O ZINC000153011352 473604199 /nfs/dbraw/zinc/60/41/99/473604199.db2.gz GXJBGEWQPGVCRG-UTUOFQBUSA-N 1 0 328.206 2.573 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H](O)COCc2ccccc2)cc1 ZINC000127475939 473617448 /nfs/dbraw/zinc/61/74/48/473617448.db2.gz XNAIPKOVQJNODW-HXUWFJFHSA-N 1 0 328.456 2.762 20 10 EFCDRO C[C@H]1C[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C[N@@H+]1C1CC1 ZINC000127564575 473626137 /nfs/dbraw/zinc/62/61/37/473626137.db2.gz OMQYQJCCZBMWKW-ZFWWWQNUSA-N 1 0 343.471 2.695 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCC(N3CCNC3=O)CC2)cc1 ZINC000127586675 473630126 /nfs/dbraw/zinc/63/01/26/473630126.db2.gz YWXUZGLYWOTXMU-UHFFFAOYSA-N 1 0 330.476 2.522 20 10 EFCDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc(C)c(O)c2O)o1 ZINC000179460773 473688510 /nfs/dbraw/zinc/68/85/10/473688510.db2.gz VVRRWSBPKTVVDS-UHFFFAOYSA-N 1 0 332.400 2.512 20 10 EFCDRO COc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000179472724 473689538 /nfs/dbraw/zinc/68/95/38/473689538.db2.gz SXAMQJQFUPITBB-CQSZACIVSA-N 1 0 336.432 2.842 20 10 EFCDRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3O)CC2)nc1 ZINC000179559340 473694549 /nfs/dbraw/zinc/69/45/49/473694549.db2.gz CQJHLVWRZJFTDW-UHFFFAOYSA-N 1 0 325.412 2.946 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000179623721 473699360 /nfs/dbraw/zinc/69/93/60/473699360.db2.gz ANJDEEXKPLCTOK-AWEZNQCLSA-N 1 0 338.411 2.823 20 10 EFCDRO C[C@H](c1ccccc1)[N@H+](CCNS(C)(=O)=O)Cc1ccccc1O ZINC000179645338 473701719 /nfs/dbraw/zinc/70/17/19/473701719.db2.gz WCTUQFRNGRUDGW-OAHLLOKOSA-N 1 0 348.468 2.505 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(F)cc1[O-] ZINC000287623414 473716233 /nfs/dbraw/zinc/71/62/33/473716233.db2.gz TUFHLWLWJKZPMA-DZGCQCFKSA-N 1 0 335.423 2.862 20 10 EFCDRO CC(C)n1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000179764214 473722461 /nfs/dbraw/zinc/72/24/61/473722461.db2.gz MSJWYNIYQUVVMA-UHFFFAOYSA-N 1 0 328.460 2.933 20 10 EFCDRO C[C@H]([NH2+]CCC1(O)CCOCC1)c1cc(Br)ccc1O ZINC000287668442 473728497 /nfs/dbraw/zinc/72/84/97/473728497.db2.gz VRWMFDVGIHLRNX-NSHDSACASA-N 1 0 344.249 2.737 20 10 EFCDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000263258878 473746401 /nfs/dbraw/zinc/74/64/01/473746401.db2.gz LPQMPFJBEPGHCB-SJLPKXTDSA-N 1 0 329.488 2.924 20 10 EFCDRO Cc1cc(O)c(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1C ZINC000269306372 473769077 /nfs/dbraw/zinc/76/90/77/473769077.db2.gz DTTFNZBXBRRONE-UHFFFAOYSA-N 1 0 345.531 2.999 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCNC(=O)C(C)C)c1O ZINC000186927030 473783168 /nfs/dbraw/zinc/78/31/68/473783168.db2.gz SFLHYKQMCFYLMN-NSHDSACASA-N 1 0 343.265 2.886 20 10 EFCDRO CN1CCC([N@H+](CCO)Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000269365415 473789057 /nfs/dbraw/zinc/78/90/57/473789057.db2.gz QRMCAFYUJQHOFV-UHFFFAOYSA-N 1 0 340.467 2.948 20 10 EFCDRO CC[N@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@@H]1CCNC1=O ZINC000281648739 473793652 /nfs/dbraw/zinc/79/36/52/473793652.db2.gz BIDFHWCTGCOIBF-GOSISDBHSA-N 1 0 340.423 2.682 20 10 EFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCCCNC2=O)c1O ZINC000186985271 473795495 /nfs/dbraw/zinc/79/54/95/473795495.db2.gz MCHSXIDGXHTMMV-MFKMUULPSA-N 1 0 341.249 2.782 20 10 EFCDRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(O)c1O ZINC000187047388 473809217 /nfs/dbraw/zinc/80/92/17/473809217.db2.gz NLVIELLMLJXFNH-CYBMUJFWSA-N 1 0 346.452 2.801 20 10 EFCDRO Cc1cc(C(=O)NC2(C[NH+](C)C)CCC2)c(C)n1-c1ccccn1 ZINC000281819299 473848398 /nfs/dbraw/zinc/84/83/98/473848398.db2.gz VOMZSXXDTDBRCK-UHFFFAOYSA-N 1 0 326.444 2.703 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC2(C)OCCO2)c1O ZINC000187415762 473868913 /nfs/dbraw/zinc/86/89/13/473868913.db2.gz PXYDOQPVFZIQIY-JTQLQIEISA-N 1 0 330.222 2.877 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)C(N)=O)c1O ZINC000187417704 473870166 /nfs/dbraw/zinc/87/01/66/473870166.db2.gz YVEFOZTZBJJNDO-VIFPVBQESA-N 1 0 329.238 2.625 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C[S@](C)=O)c1O ZINC000187540843 473883781 /nfs/dbraw/zinc/88/37/81/473883781.db2.gz LKISPBIXTZTTJJ-JJQCHNSYSA-N 1 0 334.279 2.881 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C(=O)NCCF ZINC000281931012 473888180 /nfs/dbraw/zinc/88/81/80/473888180.db2.gz AYUDJANIMLMZIO-UONOGXRCSA-N 1 0 339.430 2.941 20 10 EFCDRO C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000187726554 473909426 /nfs/dbraw/zinc/90/94/26/473909426.db2.gz JFCASLRJTNCXJC-STQMWFEESA-N 1 0 340.414 2.822 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c(O)c1 ZINC000269914023 473915300 /nfs/dbraw/zinc/91/53/00/473915300.db2.gz IXHKLLVJKQYZLN-PKOBYXMFSA-N 1 0 345.439 2.755 20 10 EFCDRO Cc1cc(C(=O)N2CCO[C@H](C[NH3+])C2)c(C)n1-c1ccc(Cl)cc1 ZINC000274704698 473927769 /nfs/dbraw/zinc/92/77/69/473927769.db2.gz AGQDYLYKZGITFI-MRXNPFEDSA-N 1 0 347.846 2.547 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3CC[N@H+](C)C3)c2C)cc1 ZINC000264278456 473958922 /nfs/dbraw/zinc/95/89/22/473958922.db2.gz NDJVZVJXZMBWGY-INIZCTEOSA-N 1 0 341.455 2.784 20 10 EFCDRO CC(C)CC[NH+]1CCC(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180849900 473975712 /nfs/dbraw/zinc/97/57/12/473975712.db2.gz ZUUROJRRNHDKDV-GQCTYLIASA-N 1 0 346.471 2.985 20 10 EFCDRO C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(Br)ccc1O ZINC000282302183 474014713 /nfs/dbraw/zinc/01/47/13/474014713.db2.gz MLRPKDBNFKTPIO-YYSFKGJASA-N 1 0 332.263 2.716 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000181237586 474019020 /nfs/dbraw/zinc/01/90/20/474019020.db2.gz OMJKSYTZKXKQEA-WCWGKUCCSA-N 1 0 342.439 2.586 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccccc1O ZINC000274957160 474024647 /nfs/dbraw/zinc/02/46/47/474024647.db2.gz WCIDADHHNAXNQK-QGZVFWFLSA-N 1 0 327.428 2.865 20 10 EFCDRO COC(=O)COc1ccc(C[N@H+](C)Cc2cc(OC)ccc2O)cc1 ZINC000274990923 474032506 /nfs/dbraw/zinc/03/25/06/474032506.db2.gz YZIHPPRDKJGLFB-UHFFFAOYSA-N 1 0 345.395 2.585 20 10 EFCDRO CCOC(=O)C[C@](C)([NH2+]Cc1cc(OC)c(OC)cc1O)C(C)C ZINC000274992979 474033829 /nfs/dbraw/zinc/03/38/29/474033829.db2.gz ZMKRORUQHGZIDZ-SFHVURJKSA-N 1 0 339.432 2.867 20 10 EFCDRO COCCN1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000264611853 474059293 /nfs/dbraw/zinc/05/92/93/474059293.db2.gz PRAOAFJKPNSHMH-IBGZPJMESA-N 1 0 326.440 2.870 20 10 EFCDRO C[C@@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccccc1O ZINC000282473417 474079806 /nfs/dbraw/zinc/07/98/06/474079806.db2.gz LVRTWLZKJMMRHW-OAHLLOKOSA-N 1 0 333.453 2.700 20 10 EFCDRO C[N@@H+]1CCN(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1(C)C ZINC000282522708 474096712 /nfs/dbraw/zinc/09/67/12/474096712.db2.gz YJLYYYLOUWYPQJ-UHFFFAOYSA-N 1 0 346.302 2.815 20 10 EFCDRO Oc1ccccc1CN(Cc1nnc2n1CCCC2)C[C@H]1CCCO1 ZINC000264724288 474104527 /nfs/dbraw/zinc/10/45/27/474104527.db2.gz POFRLTVVOFIRDZ-MRXNPFEDSA-N 1 0 342.443 2.501 20 10 EFCDRO COc1c(O)c(C[NH2+]Cc2cc(C)cc(Cl)n2)ccc1[N+](=O)[O-] ZINC000282643031 474140265 /nfs/dbraw/zinc/14/02/65/474140265.db2.gz ZNMPHTPGNSAPAG-UHFFFAOYSA-N 1 0 337.763 2.956 20 10 EFCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c(O)c1 ZINC000282649634 474142393 /nfs/dbraw/zinc/14/23/93/474142393.db2.gz HTRAVFSBRMDIQH-LPHOPBHVSA-N 1 0 349.471 2.838 20 10 EFCDRO COC(=O)[C@]1(C)C[N@H+](Cc2cc(Cl)cc(OC)c2O)C[C@H]1C ZINC000282665227 474149275 /nfs/dbraw/zinc/14/92/75/474149275.db2.gz HBYVAWSBYSYTDF-QLJPJBMISA-N 1 0 327.808 2.685 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)cc1F ZINC000265001161 474164452 /nfs/dbraw/zinc/16/44/52/474164452.db2.gz ZSRAOTXMQZRYQG-SFHVURJKSA-N 1 0 341.430 2.782 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000182412933 474169574 /nfs/dbraw/zinc/16/95/74/474169574.db2.gz PUSYPUWEXZZRHD-BLLLJJGKSA-N 1 0 344.386 2.996 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cc1C ZINC000275395214 474170229 /nfs/dbraw/zinc/17/02/29/474170229.db2.gz ZVQKCOPZXQAVAA-LPHOPBHVSA-N 1 0 329.444 2.974 20 10 EFCDRO COc1cccc(C[NH2+]Cc2c(C)nn(-c3ccccn3)c2C)c1O ZINC000289183259 474175489 /nfs/dbraw/zinc/17/54/89/474175489.db2.gz ASMORVWTBZVGJM-UHFFFAOYSA-N 1 0 338.411 2.888 20 10 EFCDRO CN(CC[N@H+](C)Cc1cccc(Cl)c1[O-])C1CC[NH+](C)CC1 ZINC000289189742 474176951 /nfs/dbraw/zinc/17/69/51/474176951.db2.gz BFYKGXUOZKCOBP-UHFFFAOYSA-N 1 0 325.884 2.503 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)c1 ZINC000182457630 474181341 /nfs/dbraw/zinc/18/13/41/474181341.db2.gz QYMUBVKWQFIILC-GXTWGEPZSA-N 1 0 335.375 2.630 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)c(O)c1 ZINC000275438580 474185334 /nfs/dbraw/zinc/18/53/34/474185334.db2.gz FSDUMTFGWCRIPX-WMZOPIPTSA-N 1 0 345.443 2.924 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000182501367 474191848 /nfs/dbraw/zinc/19/18/48/474191848.db2.gz PNVJRECKEUFQGR-ZWKOTPCHSA-N 1 0 338.517 2.978 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)c1O ZINC000289247875 474195996 /nfs/dbraw/zinc/19/59/96/474195996.db2.gz FAIFYJQZBKIEAW-UHFFFAOYSA-N 1 0 347.864 2.501 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1F ZINC000182524383 474196495 /nfs/dbraw/zinc/19/64/95/474196495.db2.gz STWBJCOOGUNONK-NVXWUHKLSA-N 1 0 348.466 2.517 20 10 EFCDRO O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000182536133 474201120 /nfs/dbraw/zinc/20/11/20/474201120.db2.gz PWUGMIRZMNSKRI-QGZVFWFLSA-N 1 0 340.423 2.769 20 10 EFCDRO COc1ccc(N2CC[NH+](CCCn3ccnc3C)CC2)cc1F ZINC000270650041 474205488 /nfs/dbraw/zinc/20/54/88/474205488.db2.gz OOTXJWVEDNRPMP-UHFFFAOYSA-N 1 0 332.423 2.552 20 10 EFCDRO CN1CCCc2cc(C[NH2+][C@H]3CCCC[C@@H]3S(C)(=O)=O)ccc21 ZINC000182684911 474233752 /nfs/dbraw/zinc/23/37/52/474233752.db2.gz LWEAWEMRFFHONR-WMZOPIPTSA-N 1 0 336.501 2.514 20 10 EFCDRO COc1cccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)c1O ZINC000289381437 474246651 /nfs/dbraw/zinc/24/66/51/474246651.db2.gz CNVIDSBPWDDYKV-SNVBAGLBSA-N 1 0 340.221 2.538 20 10 EFCDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(OCC)c1O ZINC000289400610 474255159 /nfs/dbraw/zinc/25/51/59/474255159.db2.gz OPCXHLQCYRBUAT-OAHLLOKOSA-N 1 0 336.432 2.892 20 10 EFCDRO CCOc1cccc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2CC)c1O ZINC000275639481 474261263 /nfs/dbraw/zinc/26/12/63/474261263.db2.gz SUHXOYSOOGQZAG-YOEHRIQHSA-N 1 0 331.416 2.627 20 10 EFCDRO CCOC(=O)CC1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000271067463 474394390 /nfs/dbraw/zinc/39/43/90/474394390.db2.gz CWLTULDPPMNFQP-UHFFFAOYSA-N 1 0 337.416 2.575 20 10 EFCDRO COCCC[N@H+](CCO)Cc1ccc(OCc2ccccc2)cc1O ZINC000276039579 474397411 /nfs/dbraw/zinc/39/74/11/474397411.db2.gz SMGMHFIXKRINSV-UHFFFAOYSA-N 1 0 345.439 2.802 20 10 EFCDRO COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3ccccc3O)C2=O)cc1 ZINC000183606383 474399273 /nfs/dbraw/zinc/39/92/73/474399273.db2.gz WHKWLRYCKNWNIW-KSSFIOAISA-N 1 0 340.423 2.853 20 10 EFCDRO COc1ccc(C[NH2+]CCCN2C(=O)COc3ccccc32)cc1C ZINC000266145880 474420708 /nfs/dbraw/zinc/42/07/08/474420708.db2.gz IUBZWHCCAKKVAS-UHFFFAOYSA-N 1 0 340.423 2.909 20 10 EFCDRO COC[C@]1(C[NH2+]Cc2cccc(OC)c2O)OCCc2ccccc21 ZINC000289773732 474421548 /nfs/dbraw/zinc/42/15/48/474421548.db2.gz IZNGXRPDWKIODM-FQEVSTJZSA-N 1 0 343.423 2.605 20 10 EFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C12CCC2 ZINC000266168181 474422105 /nfs/dbraw/zinc/42/21/05/474422105.db2.gz QEQARAUQJHQLIU-RBUKOAKNSA-N 1 0 330.472 2.961 20 10 EFCDRO C[C@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)[C@@H]1CCC[NH2+]C1 ZINC000237539379 474425840 /nfs/dbraw/zinc/42/58/40/474425840.db2.gz DSXZWZWIVBPORV-HUUCEWRRSA-N 1 0 331.460 2.504 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3CCC[NH2+][C@@H]3C)cc2)CC1 ZINC000289912094 474482224 /nfs/dbraw/zinc/48/22/24/474482224.db2.gz NKISAVAIQBUEBE-VQIMIIECSA-N 1 0 329.488 2.927 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276318357 474494852 /nfs/dbraw/zinc/49/48/52/474494852.db2.gz WDHCMUQIMRHEQM-UHFFFAOYSA-N 1 0 341.455 2.838 20 10 EFCDRO OCC[C@@H]([NH2+]Cc1cc(Br)ccc1O)c1ccco1 ZINC000184520191 474536313 /nfs/dbraw/zinc/53/63/13/474536313.db2.gz YDRGDTHKPBZAQB-GFCCVEGCSA-N 1 0 326.190 2.961 20 10 EFCDRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000271460612 474557151 /nfs/dbraw/zinc/55/71/51/474557151.db2.gz JZKFPNLZKQYDMG-GJZGRUSLSA-N 1 0 332.423 2.598 20 10 EFCDRO C[C@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000290145402 474559048 /nfs/dbraw/zinc/55/90/48/474559048.db2.gz KZUGMBORJLOQKG-KBXCAEBGSA-N 1 0 336.451 2.864 20 10 EFCDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000290167629 474560682 /nfs/dbraw/zinc/56/06/82/474560682.db2.gz MNVYPKKFTJYUIZ-ZDUSSCGKSA-N 1 0 342.823 2.765 20 10 EFCDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c(O)c1 ZINC000290425279 474570470 /nfs/dbraw/zinc/57/04/70/474570470.db2.gz LAWTUJZCLSVMHU-MRXNPFEDSA-N 1 0 332.444 2.625 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1O ZINC000184687358 474585291 /nfs/dbraw/zinc/58/52/91/474585291.db2.gz CUHZJVHALCTFOK-LLVKDONJSA-N 1 0 327.808 2.639 20 10 EFCDRO COc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000271689720 474585816 /nfs/dbraw/zinc/58/58/16/474585816.db2.gz QNDPZIZUCXVRFB-OAHLLOKOSA-N 1 0 341.455 2.728 20 10 EFCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c(O)c1 ZINC000284164755 474586286 /nfs/dbraw/zinc/58/62/86/474586286.db2.gz PZQDKNGMJBTMFK-AWEZNQCLSA-N 1 0 348.468 2.550 20 10 EFCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c(O)c1 ZINC000284164757 474586593 /nfs/dbraw/zinc/58/65/93/474586593.db2.gz PZQDKNGMJBTMFK-CQSZACIVSA-N 1 0 348.468 2.550 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@H]2COc3c(C)cccc3C2)cc1OC ZINC000291000860 474589866 /nfs/dbraw/zinc/58/98/66/474589866.db2.gz VYHPWKBVSFVYFJ-OAHLLOKOSA-N 1 0 329.396 2.811 20 10 EFCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1cccc(Br)c1O ZINC000277560011 474590369 /nfs/dbraw/zinc/59/03/69/474590369.db2.gz PFQLQFDVHDTPGT-SNVBAGLBSA-N 1 0 343.265 2.938 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1OC ZINC000271789950 474590964 /nfs/dbraw/zinc/59/09/64/474590964.db2.gz GNPCXUKFASADDW-GUYCJALGSA-N 1 0 339.457 2.554 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)C[C@@H]2COc3ccccc3O2)cc1OC ZINC000271835179 474595873 /nfs/dbraw/zinc/59/58/73/474595873.db2.gz RWAUCRYGXOTEMY-CQSZACIVSA-N 1 0 345.395 2.681 20 10 EFCDRO Cc1cc(Br)cc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c1O ZINC000271843570 474596991 /nfs/dbraw/zinc/59/69/91/474596991.db2.gz QSGLBZSEFMAXPB-SMDDNHRTSA-N 1 0 325.250 2.647 20 10 EFCDRO COc1c(O)c(CN2CC[C@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000278202667 474603590 /nfs/dbraw/zinc/60/35/90/474603590.db2.gz JGBYLQQFIWMFKO-CQSZACIVSA-N 1 0 349.431 2.617 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(Oc3ncccc3F)CC2)c1 ZINC000278235134 474604196 /nfs/dbraw/zinc/60/41/96/474604196.db2.gz KULBWUYUYNJFSW-UHFFFAOYSA-N 1 0 332.375 2.978 20 10 EFCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000272349177 474608347 /nfs/dbraw/zinc/60/83/47/474608347.db2.gz CYXZTGRPAVNPSS-UHFFFAOYSA-N 1 0 332.375 2.774 20 10 EFCDRO C[N@H+](Cc1ccc(CO)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000272385472 474609573 /nfs/dbraw/zinc/60/95/73/474609573.db2.gz WURRXRJDEZUZMP-UHFFFAOYSA-N 1 0 326.440 2.648 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@]3(C1)OCc1ccccc13)OCO2 ZINC000184812044 474612344 /nfs/dbraw/zinc/61/23/44/474612344.db2.gz HGBLTDODRDYRRF-LJQANCHMSA-N 1 0 325.364 2.752 20 10 EFCDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)[C@@H]2C1 ZINC000272473893 474612582 /nfs/dbraw/zinc/61/25/82/474612582.db2.gz QOAICCMRXPWCBN-PKOBYXMFSA-N 1 0 342.487 2.522 20 10 EFCDRO COC(=O)c1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)[nH]1 ZINC000272713901 474622897 /nfs/dbraw/zinc/62/28/97/474622897.db2.gz CFEJBFWXIHDLFO-INIZCTEOSA-N 1 0 344.411 2.688 20 10 EFCDRO COC(=O)c1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)[nH]1 ZINC000272713903 474623377 /nfs/dbraw/zinc/62/33/77/474623377.db2.gz CFEJBFWXIHDLFO-MRXNPFEDSA-N 1 0 344.411 2.688 20 10 EFCDRO Oc1cc2c(cc1C[NH+]1CCC(OC[C@H]3CCCCO3)CC1)OCO2 ZINC000267413697 474668550 /nfs/dbraw/zinc/66/85/50/474668550.db2.gz QXEFFACJCVKYLR-MRXNPFEDSA-N 1 0 349.427 2.671 20 10 EFCDRO Cc1cc(C[NH2+]Cc2cc(C)c(C)cc2O)nc(N2CCCC2)n1 ZINC000292876553 474690672 /nfs/dbraw/zinc/69/06/72/474690672.db2.gz XBMYXSOCBFXJRX-UHFFFAOYSA-N 1 0 326.444 2.997 20 10 EFCDRO CCOC1CC(O)(C[NH2+][C@H](C)c2ccc(Br)cc2O)C1 ZINC000278595215 474727404 /nfs/dbraw/zinc/72/74/04/474727404.db2.gz ZFUPTJPZJQNZAK-CKQAKLJMSA-N 1 0 344.249 2.735 20 10 EFCDRO COC[C@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1O)OC ZINC000273127152 474732100 /nfs/dbraw/zinc/73/21/00/474732100.db2.gz AVDZBIDRXRKWND-SFHVURJKSA-N 1 0 331.412 2.722 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000291938988 474763649 /nfs/dbraw/zinc/76/36/49/474763649.db2.gz MSLHSOBLQCSZBG-HXUWFJFHSA-N 1 0 344.503 2.770 20 10 EFCDRO CN(C)c1ccc(CNC(=O)c2sccc2C[NH+](C)C)cc1F ZINC000268057549 474772731 /nfs/dbraw/zinc/77/27/31/474772731.db2.gz YYMFHCIKAUNVPN-UHFFFAOYSA-N 1 0 335.448 2.945 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c1 ZINC000278721014 474795989 /nfs/dbraw/zinc/79/59/89/474795989.db2.gz QLXBVEFGEYNVBO-HNNXBMFYSA-N 1 0 332.375 2.978 20 10 EFCDRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000284869360 474806738 /nfs/dbraw/zinc/80/67/38/474806738.db2.gz AVSJUIGIWSDAFQ-HNNXBMFYSA-N 1 0 334.460 2.687 20 10 EFCDRO C[C@H]1C[C@@H](NC(=O)NCc2ccccc2O)C[N@@H+]1Cc1ccccc1 ZINC000268119847 474809232 /nfs/dbraw/zinc/80/92/32/474809232.db2.gz MCAGSICWWIKHRW-MAUKXSAKSA-N 1 0 339.439 2.854 20 10 EFCDRO COc1cccc(C[NH2+][C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1O ZINC000278825942 474856755 /nfs/dbraw/zinc/85/67/55/474856755.db2.gz UKSPLLIHOCVKMH-LBPRGKRZSA-N 1 0 339.399 2.740 20 10 EFCDRO COc1c([O-])c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278827002 474857000 /nfs/dbraw/zinc/85/70/00/474857000.db2.gz IGBMXNPYJSSSOW-UHFFFAOYSA-N 1 0 337.420 2.662 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(Br)cc1O ZINC000273382767 474872047 /nfs/dbraw/zinc/87/20/47/474872047.db2.gz IPUVJEOQPZYHBY-QUBYGPBYSA-N 1 0 328.128 2.729 20 10 EFCDRO COCCOCCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000273388067 474874418 /nfs/dbraw/zinc/87/44/18/474874418.db2.gz KCNPSAVKRWOZIW-LLVKDONJSA-N 1 0 332.238 2.858 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(Br)ccc1O ZINC000273409063 474883042 /nfs/dbraw/zinc/88/30/42/474883042.db2.gz PFHNYGHLQRWWDM-LHLIQPBNSA-N 1 0 328.128 2.729 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)c1 ZINC000273419886 474889655 /nfs/dbraw/zinc/88/96/55/474889655.db2.gz JFAXURAOVWNUGO-IAQYHMDHSA-N 1 0 343.349 2.535 20 10 EFCDRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000273473472 474917535 /nfs/dbraw/zinc/91/75/35/474917535.db2.gz KDTHKOJJMCVSSB-AUSHCKSDSA-N 1 0 334.279 2.962 20 10 EFCDRO Cc1cc(CN2CC[NH+](CC3CCOCC3)CC2)ccc1N(C)C ZINC000293308276 474919181 /nfs/dbraw/zinc/91/91/81/474919181.db2.gz ZYOAVWLZGOOZPH-UHFFFAOYSA-N 1 0 331.504 2.605 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)c1 ZINC000273480498 474921943 /nfs/dbraw/zinc/92/19/43/474921943.db2.gz UKNCUMJANNIFRR-MAUKXSAKSA-N 1 0 339.439 2.937 20 10 EFCDRO COC[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)[C@@H]1CCCO1 ZINC000279122477 474960656 /nfs/dbraw/zinc/96/06/56/474960656.db2.gz UYEHLDMXSGULNY-CABCVRRESA-N 1 0 327.808 2.532 20 10 EFCDRO C[C@H]([NH2+]CCN1CCSCC1)c1cc(Br)ccc1O ZINC000273559371 474962971 /nfs/dbraw/zinc/96/29/71/474962971.db2.gz HQNDERJOPXQLNT-NSHDSACASA-N 1 0 345.306 2.854 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c1 ZINC000273594137 474981211 /nfs/dbraw/zinc/98/12/11/474981211.db2.gz QASZGOHLSWNXTF-HNNXBMFYSA-N 1 0 334.460 2.696 20 10 EFCDRO CNC(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000279623118 474983305 /nfs/dbraw/zinc/98/33/05/474983305.db2.gz KFTWHOBOSQDFIM-UHFFFAOYSA-N 1 0 343.393 2.729 20 10 EFCDRO C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1nncn1C ZINC000273614683 474991668 /nfs/dbraw/zinc/99/16/68/474991668.db2.gz WZWRDVAEBKIUOB-IUCAKERBSA-N 1 0 325.210 2.695 20 10 EFCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H]1C ZINC000279840918 474995830 /nfs/dbraw/zinc/99/58/30/474995830.db2.gz HPSNNTLSGZMICI-VDZJLULYSA-N 1 0 346.471 2.591 20 10 EFCDRO COc1cccc(OC)c1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000285387002 474998979 /nfs/dbraw/zinc/99/89/79/474998979.db2.gz HCLHGCRNIZGIIW-UHFFFAOYSA-N 1 0 342.439 2.830 20 10 EFCDRO CC[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(C)cc1O ZINC000280075601 475008164 /nfs/dbraw/zinc/00/81/64/475008164.db2.gz LJLUQYIOMNDYNH-HOTGVXAUSA-N 1 0 342.443 2.670 20 10 EFCDRO OC[C@@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCOC1 ZINC000280206899 475014233 /nfs/dbraw/zinc/01/42/33/475014233.db2.gz FIVQBXANZDSYSO-IEBWSBKVSA-N 1 0 327.424 2.794 20 10 EFCDRO CC[C@H]([NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O)c1ccc(C)cc1O ZINC000280247384 475015857 /nfs/dbraw/zinc/01/58/57/475015857.db2.gz WIVRWVDVLVBOOL-HOTGVXAUSA-N 1 0 342.443 2.589 20 10 EFCDRO Cc1n[nH]c(CC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)n1 ZINC000280258839 475016759 /nfs/dbraw/zinc/01/67/59/475016759.db2.gz LEMKNHUJRIPGQZ-UHFFFAOYSA-N 1 0 327.354 2.530 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+](C1CCC1)C1CCC1)cc2=O ZINC000292430543 475022597 /nfs/dbraw/zinc/02/25/97/475022597.db2.gz NNNUSMGGSXIDJX-UHFFFAOYSA-N 1 0 344.415 2.519 20 10 EFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)COCC(F)(F)F ZINC000292433383 475023904 /nfs/dbraw/zinc/02/39/04/475023904.db2.gz LWQISIJKUCEWGR-MRXNPFEDSA-N 1 0 348.409 2.903 20 10 EFCDRO COc1cc(Cl)cc(CN2C[C@@H](C)OC3(CCOCC3)C2)c1O ZINC000280465598 475027691 /nfs/dbraw/zinc/02/76/91/475027691.db2.gz MSANDCGRQDXZQU-GFCCVEGCSA-N 1 0 341.835 2.824 20 10 EFCDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CCC(O)CC3)cc2F)C[C@H](C)O1 ZINC000285658928 475035920 /nfs/dbraw/zinc/03/59/20/475035920.db2.gz MQHMNWCATIHQBI-CBHXASLJSA-N 1 0 336.451 2.832 20 10 EFCDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293555023 475036471 /nfs/dbraw/zinc/03/64/71/475036471.db2.gz LNPBRYMDDYWVQG-MRXNPFEDSA-N 1 0 344.377 2.988 20 10 EFCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)s1 ZINC000280603090 475037213 /nfs/dbraw/zinc/03/72/13/475037213.db2.gz OEPDSGLCOHYAGK-UHFFFAOYSA-N 1 0 338.498 2.898 20 10 EFCDRO Cc1noc(CCC[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000268623459 475037305 /nfs/dbraw/zinc/03/73/05/475037305.db2.gz BXFGPNRTZDCRBC-MRXNPFEDSA-N 1 0 331.416 2.697 20 10 EFCDRO CC1CC[NH+](CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000268652011 475038534 /nfs/dbraw/zinc/03/85/34/475038534.db2.gz RQUYWULMUOAKEJ-GOSISDBHSA-N 1 0 346.471 2.632 20 10 EFCDRO C[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000285718261 475039420 /nfs/dbraw/zinc/03/94/20/475039420.db2.gz PXTPBRZVOANWHU-BBRMVZONSA-N 1 0 345.409 2.666 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(N2CCOCC2)cc1 ZINC000268800301 475042180 /nfs/dbraw/zinc/04/21/80/475042180.db2.gz HJTUGUUYSQBWAF-DNVCBOLYSA-N 1 0 340.471 2.985 20 10 EFCDRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000268780992 475042245 /nfs/dbraw/zinc/04/22/45/475042245.db2.gz PTLAEUCFCQHRSE-CVAIRZPRSA-N 1 0 347.478 2.940 20 10 EFCDRO Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)ccc1N(C)C ZINC000293618274 475042909 /nfs/dbraw/zinc/04/29/09/475042909.db2.gz WBJVRHIIPCTAGZ-GOSISDBHSA-N 1 0 329.488 2.799 20 10 EFCDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@@H](O)C(F)(F)F ZINC000273761853 475046492 /nfs/dbraw/zinc/04/64/92/475046492.db2.gz PFZWXDHIUZVKBF-JOYOIKCWSA-N 1 0 327.730 2.846 20 10 EFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000285963362 475047567 /nfs/dbraw/zinc/04/75/67/475047567.db2.gz GXLLBKSBQWABBM-WWMCIYDGSA-N 1 0 343.471 2.632 20 10 EFCDRO Oc1ccc(Br)cc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000293717630 475048413 /nfs/dbraw/zinc/04/84/13/475048413.db2.gz SYYLWKIAMATMOI-UHFFFAOYSA-N 1 0 342.233 2.884 20 10 EFCDRO C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000280804175 475050250 /nfs/dbraw/zinc/05/02/50/475050250.db2.gz IREYUQVGCQSNQT-HBNTYKKESA-N 1 0 334.243 2.995 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cnn(C)c1 ZINC000268885552 475052481 /nfs/dbraw/zinc/05/24/81/475052481.db2.gz YUKHTYALUVMASV-GOSISDBHSA-N 1 0 346.450 2.761 20 10 EFCDRO Cc1cc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c(C)n1-c1ccccn1 ZINC000286114960 475053149 /nfs/dbraw/zinc/05/31/49/475053149.db2.gz OFEWPQZADKQDNP-XAYKYTGQSA-N 1 0 326.444 2.605 20 10 EFCDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Cc1ccc(N)cc1 ZINC000286256393 475057750 /nfs/dbraw/zinc/05/77/50/475057750.db2.gz VJMUADRZDDGNCN-UHFFFAOYSA-N 1 0 347.409 2.680 20 10 EFCDRO COc1cccc(C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1O ZINC000293927776 475058024 /nfs/dbraw/zinc/05/80/24/475058024.db2.gz NEQIUXKQUTWSDO-GFCCVEGCSA-N 1 0 336.432 2.746 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@@H]1CCOC1 ZINC000268900208 475059264 /nfs/dbraw/zinc/05/92/64/475059264.db2.gz WHWABCVBEJEFBH-KCYZZUKISA-N 1 0 336.451 2.954 20 10 EFCDRO C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(N2CCCCCC2)cc1 ZINC000268908159 475064914 /nfs/dbraw/zinc/06/49/14/475064914.db2.gz MGMUQTUYROGGTM-GHTZIAJQSA-N 1 0 344.547 2.963 20 10 EFCDRO COCCN1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000281033134 475065200 /nfs/dbraw/zinc/06/52/00/475065200.db2.gz YRKGSWULSNPNBP-AWEZNQCLSA-N 1 0 345.409 2.582 20 10 EFCDRO CC(=O)c1cc(F)cc(CN2CC[C@H](OCc3ccncc3)C2)c1O ZINC000281134669 475084316 /nfs/dbraw/zinc/08/43/16/475084316.db2.gz YSDMPMGUICZTSO-KRWDZBQOSA-N 1 0 344.386 2.920 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)cc1 ZINC000281140854 475088765 /nfs/dbraw/zinc/08/87/65/475088765.db2.gz DTDWWORXUSDHRH-UHFFFAOYSA-N 1 0 343.393 2.643 20 10 EFCDRO COC1CCN(c2ccc(C[N@H+](C)[C@H](C)C[S@@](C)=O)cc2)CC1 ZINC000294868164 475089182 /nfs/dbraw/zinc/08/91/82/475089182.db2.gz AUXRXOFPKSAODY-IQMFZBJNSA-N 1 0 338.517 2.501 20 10 EFCDRO Cn1cc([C@@H]2C[N@H+](Cc3cc(F)ccc3O)CC23CCOCC3)cn1 ZINC000295005511 475097708 /nfs/dbraw/zinc/09/77/08/475097708.db2.gz LPXWQGKSOOGODB-KRWDZBQOSA-N 1 0 345.418 2.661 20 10 EFCDRO CC[C@@H]([NH2+]Cc1cnnn1C)c1cc(Br)ccc1O ZINC000287223946 475098074 /nfs/dbraw/zinc/09/80/74/475098074.db2.gz GEOAWPODYDDCTN-GFCCVEGCSA-N 1 0 325.210 2.524 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@H](c2nccn2C)C(C)(C)CO)c(O)c1 ZINC000295078562 475101536 /nfs/dbraw/zinc/10/15/36/475101536.db2.gz QBWIPDKDGDRXPK-QGZVFWFLSA-N 1 0 347.459 2.764 20 10 EFCDRO CS(=O)(=O)CC1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000295163745 475109018 /nfs/dbraw/zinc/10/90/18/475109018.db2.gz SNINXOGWZSGWMV-UHFFFAOYSA-N 1 0 331.865 2.739 20 10 EFCDRO COc1cc([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000292642162 475131774 /nfs/dbraw/zinc/13/17/74/475131774.db2.gz AZXMGWCOQZNJGM-QGZVFWFLSA-N 1 0 335.404 2.534 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)cc1OC ZINC000292770249 475190795 /nfs/dbraw/zinc/19/07/95/475190795.db2.gz KJXHKSCFXZVAOL-CQSZACIVSA-N 1 0 346.402 2.917 20 10 EFCDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(Br)ccc1O ZINC000292781885 475194325 /nfs/dbraw/zinc/19/43/25/475194325.db2.gz UDUUECDKZNRASS-LLVKDONJSA-N 1 0 343.265 2.797 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000287563186 475197444 /nfs/dbraw/zinc/19/74/44/475197444.db2.gz QGGSZDJCPLGYGQ-CABCVRRESA-N 1 0 347.459 2.732 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000287563204 475197506 /nfs/dbraw/zinc/19/75/06/475197506.db2.gz QGGSZDJCPLGYGQ-HUUCEWRRSA-N 1 0 347.459 2.732 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000350246366 476106577 /nfs/dbraw/zinc/10/65/77/476106577.db2.gz GCIFNAKZSXJRIA-UHFFFAOYSA-N 1 0 328.460 2.722 20 10 EFCDRO CCC[N@H+](Cc1ccccc1O)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000299639542 476147214 /nfs/dbraw/zinc/14/72/14/476147214.db2.gz MOIJVABWSQQXTM-UHFFFAOYSA-N 1 0 343.383 2.812 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)c(O)c1C ZINC000359878972 476269620 /nfs/dbraw/zinc/26/96/20/476269620.db2.gz YPKDOACRGXVHRC-GDBMZVCRSA-N 1 0 342.443 2.589 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(F)ccc1O ZINC000373256667 476389116 /nfs/dbraw/zinc/38/91/16/476389116.db2.gz QVZGIXRCJUUORW-TZMCWYRMSA-N 1 0 343.402 2.560 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373932634 476441690 /nfs/dbraw/zinc/44/16/90/476441690.db2.gz IPPPNGTULCZYJP-IEBWSBKVSA-N 1 0 342.487 2.713 20 10 EFCDRO O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000374081922 476452719 /nfs/dbraw/zinc/45/27/19/476452719.db2.gz WEFRIJHYTUOCGT-HZPDHXFCSA-N 1 0 343.471 2.697 20 10 EFCDRO COc1ccc(N2CCC[N@H+](Cc3cnc([C@@H](C)O)s3)CC2)cc1 ZINC000377619578 476477744 /nfs/dbraw/zinc/47/77/44/476477744.db2.gz VCUXWEZTPRXLAK-CQSZACIVSA-N 1 0 347.484 2.917 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc(OC)c2O)C[C@H]1c1ccccc1 ZINC000369703119 476486292 /nfs/dbraw/zinc/48/62/92/476486292.db2.gz LRXNGNVSKFWIKS-DLBZAZTESA-N 1 0 341.407 2.789 20 10 EFCDRO NC(=O)C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000377852727 476613668 /nfs/dbraw/zinc/61/36/68/476613668.db2.gz SVXORPPCVGWEAK-LJQANCHMSA-N 1 0 349.478 2.947 20 10 EFCDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000377890352 476630880 /nfs/dbraw/zinc/63/08/80/476630880.db2.gz URBKXIXJTIKDRF-LLVKDONJSA-N 1 0 336.233 2.878 20 10 EFCDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000377890353 476631434 /nfs/dbraw/zinc/63/14/34/476631434.db2.gz URBKXIXJTIKDRF-NSHDSACASA-N 1 0 336.233 2.878 20 10 EFCDRO COc1c(O)c(CN2CCOc3cccc(F)c3C2)ccc1[N+](=O)[O-] ZINC000375009238 476632492 /nfs/dbraw/zinc/63/24/92/476632492.db2.gz VBLWDGINGNUVAQ-UHFFFAOYSA-N 1 0 348.330 2.843 20 10 EFCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1O ZINC000378451758 476710032 /nfs/dbraw/zinc/71/00/32/476710032.db2.gz FRGPUZLANUFZMF-CYBMUJFWSA-N 1 0 336.233 2.833 20 10 EFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)[C@]12CCCO2 ZINC000375205733 476717387 /nfs/dbraw/zinc/71/73/87/476717387.db2.gz FKKCZQJTXLXSLF-BFYDXBDKSA-N 1 0 341.835 2.870 20 10 EFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)[C@@]12CCCO2 ZINC000375205737 476717549 /nfs/dbraw/zinc/71/75/49/476717549.db2.gz FKKCZQJTXLXSLF-UXLLHSPISA-N 1 0 341.835 2.870 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3ccnc(OC)c3)CC2)cc1 ZINC000370676339 476928089 /nfs/dbraw/zinc/92/80/89/476928089.db2.gz JRMBHEDPQQHMRN-UHFFFAOYSA-N 1 0 327.428 2.857 20 10 EFCDRO CCn1cc(CC[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)cn1 ZINC000375702372 476962844 /nfs/dbraw/zinc/96/28/44/476962844.db2.gz SKJXXTUOAULXII-UHFFFAOYSA-N 1 0 328.460 2.666 20 10 EFCDRO Nc1ccc(CC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000370763438 476973562 /nfs/dbraw/zinc/97/35/62/476973562.db2.gz KTUCPMDOPUGHNQ-LJQANCHMSA-N 1 0 337.467 2.840 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000370773179 476978396 /nfs/dbraw/zinc/97/83/96/476978396.db2.gz MZPQRPPFRRYJKE-OXQOHEQNSA-N 1 0 337.467 2.838 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1OC ZINC000375997471 477123749 /nfs/dbraw/zinc/12/37/49/477123749.db2.gz BHYOMECEGZHJNT-UHFFFAOYSA-N 1 0 334.460 2.717 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1F ZINC000376036304 477143235 /nfs/dbraw/zinc/14/32/35/477143235.db2.gz XPLRVNTXNYGODR-UHFFFAOYSA-N 1 0 347.394 2.834 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000371328401 477244197 /nfs/dbraw/zinc/24/41/97/477244197.db2.gz VEFNKXWISTZLOG-UHFFFAOYSA-N 1 0 330.472 2.916 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)cc1OC ZINC000371360432 477265749 /nfs/dbraw/zinc/26/57/49/477265749.db2.gz GPYLBTYFJSHOMA-HNNXBMFYSA-N 1 0 331.416 2.788 20 10 EFCDRO CCCN(C(=O)NCc1c(C)c2ccccc2n1C)[C@H]1CC[NH2+]C1 ZINC000418099450 477465948 /nfs/dbraw/zinc/46/59/48/477465948.db2.gz NJTJZKCOVMHSFI-HNNXBMFYSA-N 1 0 328.460 2.770 20 10 EFCDRO Cc1ncsc1/C=C/C(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000372379708 477780698 /nfs/dbraw/zinc/78/06/98/477780698.db2.gz HUIOJHSLPPBFGM-MYSGNRETSA-N 1 0 343.452 2.821 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000471687022 478007909 /nfs/dbraw/zinc/00/79/09/478007909.db2.gz VUAQOKBHLLIPHG-OAHLLOKOSA-N 1 0 340.471 2.770 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC1CC[NH+](C)CC1 ZINC000471822018 478009301 /nfs/dbraw/zinc/00/93/01/478009301.db2.gz NLERZZLZSDHVEJ-UHFFFAOYSA-N 1 0 328.460 2.628 20 10 EFCDRO CC[N@H+](CCNC(=O)NCc1c(C)c2ccccc2n1C)C1CC1 ZINC000471816161 478009681 /nfs/dbraw/zinc/00/96/81/478009681.db2.gz MJMYNFFWOGVRNZ-UHFFFAOYSA-N 1 0 328.460 2.770 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000472280755 478015237 /nfs/dbraw/zinc/01/52/37/478015237.db2.gz AZWIFSFZWBZPEH-IBGZPJMESA-N 1 0 342.487 2.968 20 10 EFCDRO COC[C@@]1([NH2+]Cc2cccc(OC)c2O)COc2ccccc2C1 ZINC000527796883 478522037 /nfs/dbraw/zinc/52/20/37/478522037.db2.gz BNIQHXDIKDPPLN-LJQANCHMSA-N 1 0 329.396 2.511 20 10 EFCDRO CCOCc1cc(C[NH2+][C@H]2Cc3ccccc3NC2=O)ccc1OC ZINC000527797688 478524274 /nfs/dbraw/zinc/52/42/74/478524274.db2.gz DNMOWMBDRGPLSE-SFHVURJKSA-N 1 0 340.423 2.885 20 10 EFCDRO CCOc1cccc(C[NH2+][C@]2(COC)COc3ccccc3C2)c1O ZINC000527802045 478527593 /nfs/dbraw/zinc/52/75/93/478527593.db2.gz VAQSDVINTSFRDI-HXUWFJFHSA-N 1 0 343.423 2.901 20 10 EFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000563507191 478574329 /nfs/dbraw/zinc/57/43/29/478574329.db2.gz LLGBBPVNHHWGKH-UHFFFAOYSA-N 1 0 338.411 2.787 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000571638885 478643116 /nfs/dbraw/zinc/64/31/16/478643116.db2.gz CRMGAVFPOSCELH-UHFFFAOYSA-N 1 0 336.439 2.945 20 10 EFCDRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCc4c3cccc4Cl)c21 ZINC000592533335 478937689 /nfs/dbraw/zinc/93/76/89/478937689.db2.gz ASBAQCQPBTWENK-LLVKDONJSA-N 1 0 330.819 2.576 20 10 EFCDRO C[NH2+]CCc1ccccc1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000566098030 479084489 /nfs/dbraw/zinc/08/44/89/479084489.db2.gz OPXTYYRYUHFTGQ-UHFFFAOYSA-N 1 0 325.368 2.560 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@](C)(C[NH3+])C3CC3)ccc21 ZINC000568525054 479127507 /nfs/dbraw/zinc/12/75/07/479127507.db2.gz CCLHPWRVANQQSE-FQEVSTJZSA-N 1 0 343.471 2.762 20 10 EFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000574880756 479364589 /nfs/dbraw/zinc/36/45/89/479364589.db2.gz QGZJSWNWARQIRT-MRXNPFEDSA-N 1 0 331.460 2.776 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]([NH3+])C(C)C)ccc21 ZINC000577882598 479599143 /nfs/dbraw/zinc/59/91/43/479599143.db2.gz WZAMSPBSSWHIPI-KRWDZBQOSA-N 1 0 331.460 2.618 20 10 EFCDRO CN1CCN(C(=O)c2cccc3c2CC[NH2+]C3)c2ccc(F)cc21 ZINC000662751659 481959718 /nfs/dbraw/zinc/95/97/18/481959718.db2.gz BEDQDPYLTOABQA-UHFFFAOYSA-N 1 0 325.387 2.568 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]([NH3+])C[C@@H]3C)ccc21 ZINC000654822109 482065795 /nfs/dbraw/zinc/06/57/95/482065795.db2.gz IDUIGTNESPMBRJ-SUMWQHHRSA-N 1 0 343.471 2.856 20 10 EFCDRO COc1ccc(O)c(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000175766160 534200696 /nfs/dbraw/zinc/20/06/96/534200696.db2.gz QVJYXPFVFXOIEM-UHFFFAOYSA-N 1 0 347.459 2.607 20 10 EFCDRO COc1ccc(O)c(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000177723451 534201537 /nfs/dbraw/zinc/20/15/37/534201537.db2.gz PCKDGSQHLKPWCP-AWEZNQCLSA-N 1 0 332.444 2.672 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)c1 ZINC000185686827 534204961 /nfs/dbraw/zinc/20/49/61/534204961.db2.gz GBJYBAIOXGQRRP-STQMWFEESA-N 1 0 331.391 2.864 20 10 EFCDRO Oc1cc2c(cc1C[NH2+]C[C@H](c1ccco1)N1CCCC1)OCO2 ZINC000063255917 534447940 /nfs/dbraw/zinc/44/79/40/534447940.db2.gz SZMOTXYWMQZLNK-CQSZACIVSA-N 1 0 330.384 2.641 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)cc1C ZINC000030904107 524071722 /nfs/dbraw/zinc/07/17/22/524071722.db2.gz HMIOCEAVWRBPDR-HXUWFJFHSA-N 1 0 340.467 2.512 20 10 EFCDRO C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000178840840 524451610 /nfs/dbraw/zinc/45/16/10/524451610.db2.gz DKKLWWNZWUDOBH-QGZVFWFLSA-N 1 0 337.467 2.934 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]C3CCN(C4CC4)CC3)cc2F)CC1 ZINC000298540413 527516858 /nfs/dbraw/zinc/51/68/58/527516858.db2.gz SXRKLCXZZZZGJC-UHFFFAOYSA-N 1 0 347.478 2.503 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000171046196 528302736 /nfs/dbraw/zinc/30/27/36/528302736.db2.gz OFDJNNGZLPKNFR-LJQANCHMSA-N 1 0 344.503 2.913 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000263724860 535752325 /nfs/dbraw/zinc/75/23/25/535752325.db2.gz WZBQVQZWAMWAEL-UHFFFAOYSA-N 1 0 332.366 2.907 20 10 EFCDRO CCOC1CC(C[NH2+][C@@H](C)c2ccc(C)cc2O)(N2CCOCC2)C1 ZINC000193398490 535756807 /nfs/dbraw/zinc/75/68/07/535756807.db2.gz MMRJOSUZECSZBM-VXESANQCSA-N 1 0 348.487 2.621 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1(C(=O)OC)CCC1 ZINC000272336172 535805971 /nfs/dbraw/zinc/80/59/71/535805971.db2.gz LINVIWJNLSTHTG-GOSISDBHSA-N 1 0 346.471 2.735 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3C[C@H](C[NH3+])C[C@@H]3C)c2C)cc1 ZINC000261869587 536550728 /nfs/dbraw/zinc/55/07/28/536550728.db2.gz SDIMKMZLVQQWNB-BBRMVZONSA-N 1 0 341.455 2.912 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@](C)(C[NH3+])C3CC3)c2C)cc1 ZINC000237507355 536552791 /nfs/dbraw/zinc/55/27/91/536552791.db2.gz UGEKQDBCNDNKCB-FQEVSTJZSA-N 1 0 341.455 2.960 20 10 EFCDRO COc1ccc(N2CCCN(C(=O)CCC3CC[NH2+]CC3)CC2)cc1 ZINC000237263474 536671817 /nfs/dbraw/zinc/67/18/17/536671817.db2.gz PRKYVBNVLNBZIL-UHFFFAOYSA-N 1 0 345.487 2.514 20 10 EFCDRO COC1CCN(c2ccc(C[N@H+]3C[C@@H](C)N(C)[C@@H](C)C3)cc2)CC1 ZINC000296870021 536755951 /nfs/dbraw/zinc/75/59/51/536755951.db2.gz ZMBOTXUVTAFFSJ-CALCHBBNSA-N 1 0 331.504 2.826 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1OC ZINC000365835725 536856857 /nfs/dbraw/zinc/85/68/57/536856857.db2.gz GIVGOEDFRWJWHX-HXUWFJFHSA-N 1 0 343.423 2.545 20 10 EFCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)[C@@H]1CCCO1 ZINC000278806338 536877577 /nfs/dbraw/zinc/87/75/77/536877577.db2.gz NGFRDOVDHKKRJY-XEGUGMAKSA-N 1 0 344.249 2.999 20 10 EFCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc([S@](C)=O)cc1 ZINC000270072304 545630952 /nfs/dbraw/zinc/63/09/52/545630952.db2.gz IDYLCTOKMKSJQC-BGJPBQGDSA-N 1 0 333.409 2.709 20 10 EFCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c1 ZINC000754727293 575478225 /nfs/dbraw/zinc/47/82/25/575478225.db2.gz VXAXTMISWZSWJE-UHFFFAOYSA-N 1 0 344.377 2.900 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)CC2CC2)ccc1N1CCCCC1 ZINC000754835014 575499822 /nfs/dbraw/zinc/49/98/22/575499822.db2.gz QRAWHOGIIODAGP-INIZCTEOSA-N 1 0 333.432 2.836 20 10 EFCDRO COC(=O)C1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000756029446 575673857 /nfs/dbraw/zinc/67/38/57/575673857.db2.gz CNDYWNLEPJBHIW-FAEJEUNOSA-N 1 0 346.471 2.906 20 10 EFCDRO CC(=O)N1CCC([NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000756364017 575723766 /nfs/dbraw/zinc/72/37/66/575723766.db2.gz RQZJAIAZCCRDLN-SNVBAGLBSA-N 1 0 341.249 2.816 20 10 EFCDRO CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000756434601 575738517 /nfs/dbraw/zinc/73/85/17/575738517.db2.gz NUZFMHZSVDPHBT-AWEZNQCLSA-N 1 0 328.412 2.676 20 10 EFCDRO CCN(CC)C(=O)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000756457262 575742238 /nfs/dbraw/zinc/74/22/38/575742238.db2.gz PPMJEYMXKPQPPQ-JTQLQIEISA-N 1 0 329.238 2.674 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756459913 575742688 /nfs/dbraw/zinc/74/26/88/575742688.db2.gz QECCXDGDHRYRHZ-MNOVXSKESA-N 1 0 333.259 2.806 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCc2ccccc2)c2c1c(F)ccc2O ZINC000756477443 575745742 /nfs/dbraw/zinc/74/57/42/575745742.db2.gz ZHTNFEJBLMEQLT-IUODEOHRSA-N 1 0 328.387 2.986 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1cc(Br)ccc1O ZINC000756510040 575751886 /nfs/dbraw/zinc/75/18/86/575751886.db2.gz GJOWEALOGYXWKA-GXFFZTMASA-N 1 0 344.249 2.593 20 10 EFCDRO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(F)cc(F)c1[O-] ZINC000756562965 575762868 /nfs/dbraw/zinc/76/28/68/575762868.db2.gz KJQXMMHWFLLCRI-JSGCOSHPSA-N 1 0 328.403 2.558 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000756572651 575764371 /nfs/dbraw/zinc/76/43/71/575764371.db2.gz HHUNFOKVOBCANN-RHSMWYFYSA-N 1 0 334.460 2.695 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC(N)=O)c2)c2c1c(F)ccc2O ZINC000756608727 575767428 /nfs/dbraw/zinc/76/74/28/575767428.db2.gz LCENNOGHRJFYTM-IAQYHMDHSA-N 1 0 344.386 2.734 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)[C@@H]1CN(C)CCO1 ZINC000756756974 575784432 /nfs/dbraw/zinc/78/44/32/575784432.db2.gz BDLQHRRAMSGUNN-RWSFTLGLSA-N 1 0 343.265 2.524 20 10 EFCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000756774326 575785889 /nfs/dbraw/zinc/78/58/89/575785889.db2.gz IHQQNCWNGOSLFY-WQAKAFBOSA-N 1 0 341.249 2.720 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)c2c1c(F)ccc2O ZINC000756863707 575794760 /nfs/dbraw/zinc/79/47/60/575794760.db2.gz KIHNTOYRHKVOBV-BZPMIXESSA-N 1 0 337.391 2.591 20 10 EFCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000757628534 575846211 /nfs/dbraw/zinc/84/62/11/575846211.db2.gz YHDKOQKMZAQWLU-DNVCBOLYSA-N 1 0 342.487 2.569 20 10 EFCDRO C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(Br)cc1O ZINC000757659898 575848137 /nfs/dbraw/zinc/84/81/37/575848137.db2.gz UGOYKMPERUXWDP-QMTHXVAHSA-N 1 0 344.249 2.593 20 10 EFCDRO OC[C@@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)C[C@H]1c1ccc(F)cc1 ZINC000758526218 575871604 /nfs/dbraw/zinc/87/16/04/575871604.db2.gz FMAOFEHXUHLAMM-KXBFYZLASA-N 1 0 345.370 2.516 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]CCC[C@H](C)CO)c1O ZINC000758577373 575873231 /nfs/dbraw/zinc/87/32/31/575873231.db2.gz DXRPSRWWRMTWCO-JTQLQIEISA-N 1 0 332.238 2.662 20 10 EFCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000758613729 575874153 /nfs/dbraw/zinc/87/41/53/575874153.db2.gz GDHVYTPFLNJYCG-INIZCTEOSA-N 1 0 340.423 2.539 20 10 EFCDRO CC(C)[NH2+][C@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000759591164 575905283 /nfs/dbraw/zinc/90/52/83/575905283.db2.gz WYCKRWFJRUTWJV-ZDUSSCGKSA-N 1 0 342.534 2.797 20 10 EFCDRO COCCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000760019124 575972505 /nfs/dbraw/zinc/97/25/05/575972505.db2.gz TZUSVQBOBDEDIB-CQSZACIVSA-N 1 0 349.452 2.663 20 10 EFCDRO Cc1ncc(/C=C\C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)s1 ZINC000760816919 576077244 /nfs/dbraw/zinc/07/72/44/576077244.db2.gz GGADYRZOQLDDKZ-CKXPSTMWSA-N 1 0 343.452 2.821 20 10 EFCDRO O=S1(=O)CC[C@H](CCN(Cc2ccco2)Cc2ccccc2O)C1 ZINC000760856754 576081359 /nfs/dbraw/zinc/08/13/59/576081359.db2.gz MNZMKVPISCWQLY-HNNXBMFYSA-N 1 0 349.452 2.812 20 10 EFCDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000760883193 576084572 /nfs/dbraw/zinc/08/45/72/576084572.db2.gz AQHVHHFGHBQUKD-PSOPSSQASA-N 1 0 344.249 2.999 20 10 EFCDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000760896399 576085801 /nfs/dbraw/zinc/08/58/01/576085801.db2.gz VWRLZZBPBGQLLP-UHFFFAOYSA-N 1 0 325.380 2.945 20 10 EFCDRO CCCNC(=O)C[N@H+](CCC)Cc1cc(Cl)cc(OC)c1O ZINC000761192598 576128005 /nfs/dbraw/zinc/12/80/05/576128005.db2.gz SWMTYKWEQSHMTE-UHFFFAOYSA-N 1 0 328.840 2.792 20 10 EFCDRO COc1cc(Cl)cc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c1O ZINC000761206287 576129765 /nfs/dbraw/zinc/12/97/65/576129765.db2.gz VLQJDBNEQDTWPR-OAHLLOKOSA-N 1 0 341.835 2.824 20 10 EFCDRO C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000761988546 576238836 /nfs/dbraw/zinc/23/88/36/576238836.db2.gz HARNTNDYKPJKLI-AWEZNQCLSA-N 1 0 333.453 2.972 20 10 EFCDRO C[C@@H]([NH2+]CCc1ccnn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000762778782 576330675 /nfs/dbraw/zinc/33/06/75/576330675.db2.gz OLSGKPCEXCIJMG-CQSZACIVSA-N 1 0 348.878 2.803 20 10 EFCDRO CC(C)(CS(C)(=O)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000762785367 576331170 /nfs/dbraw/zinc/33/11/70/576331170.db2.gz HBAWDTHSLQYQDW-UHFFFAOYSA-N 1 0 333.453 2.972 20 10 EFCDRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(Br)cc2O)CCOC1 ZINC000763572742 576381607 /nfs/dbraw/zinc/38/16/07/576381607.db2.gz OKTRXGRMQVOFCU-QMTHXVAHSA-N 1 0 330.222 2.611 20 10 EFCDRO COc1cc(Cl)cc(C[N@H+](C)CCCNC(=O)C2CCC2)c1O ZINC000763621270 576383089 /nfs/dbraw/zinc/38/30/89/576383089.db2.gz BTQYXAPYGAMZBQ-UHFFFAOYSA-N 1 0 340.851 2.792 20 10 EFCDRO CO[C@@]1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCOC1 ZINC000764684583 576488582 /nfs/dbraw/zinc/48/85/82/576488582.db2.gz YTJDTCVIUALBDG-HXUWFJFHSA-N 1 0 343.423 2.866 20 10 EFCDRO CO[C@]1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCOC1 ZINC000764684581 576488599 /nfs/dbraw/zinc/48/85/99/576488599.db2.gz YTJDTCVIUALBDG-FQEVSTJZSA-N 1 0 343.423 2.866 20 10 EFCDRO C[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000764767204 576500759 /nfs/dbraw/zinc/50/07/59/576500759.db2.gz HKBFYEGAISDNFN-CQSZACIVSA-N 1 0 347.484 2.975 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(N2CCOCC2)cc1 ZINC000764865927 576514346 /nfs/dbraw/zinc/51/43/46/576514346.db2.gz YLGXKPFQKIIPFQ-MRXNPFEDSA-N 1 0 340.471 2.835 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCN4CCCC[C@@H]34)CC2)cc1 ZINC000764965226 576529748 /nfs/dbraw/zinc/52/97/48/576529748.db2.gz JEIZUIJWEVPXSV-UXHICEINSA-N 1 0 329.488 2.880 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCCCn3ccnc3)CC2)cc1 ZINC000765257636 577023940 /nfs/dbraw/zinc/02/39/40/577023940.db2.gz JKMGDJRGJQEYCY-UHFFFAOYSA-N 1 0 328.460 2.931 20 10 EFCDRO C[C@@H]([NH2+]CCCCn1ccnc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765261790 577024502 /nfs/dbraw/zinc/02/45/02/577024502.db2.gz VMDNXLRIYDKDCZ-MRXNPFEDSA-N 1 0 346.450 2.990 20 10 EFCDRO Fc1cc(C[NH2+][C@H]2CCCc3cn[nH]c32)ccc1N1CCOCC1 ZINC000765278047 577026172 /nfs/dbraw/zinc/02/61/72/577026172.db2.gz AEDZNIIPISAQLV-INIZCTEOSA-N 1 0 330.407 2.553 20 10 EFCDRO COC[C@@H](CC(C)C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000765285743 577027407 /nfs/dbraw/zinc/02/74/07/577027407.db2.gz FRKFOQIMONEQLT-MRXNPFEDSA-N 1 0 338.467 2.938 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C(C)C)C3CC3)CC2)cc1 ZINC000765401558 577038511 /nfs/dbraw/zinc/03/85/11/577038511.db2.gz MAJXHXHHJCMGDC-HXUWFJFHSA-N 1 0 331.504 2.841 20 10 EFCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)cc1 ZINC000765410917 577039176 /nfs/dbraw/zinc/03/91/76/577039176.db2.gz VHHIOXUQGHMAAE-AWEZNQCLSA-N 1 0 341.521 2.511 20 10 EFCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NC1CCCC1 ZINC000765422600 577040855 /nfs/dbraw/zinc/04/08/55/577040855.db2.gz AJYJHMFGLCTADD-HOTGVXAUSA-N 1 0 345.487 2.621 20 10 EFCDRO CN1CCCc2cc(C[NH2+]C3CCN(c4cnccn4)CC3)ccc21 ZINC000765478184 577045237 /nfs/dbraw/zinc/04/52/37/577045237.db2.gz CDWLLPAIRIWHCR-UHFFFAOYSA-N 1 0 337.471 2.618 20 10 EFCDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H]1C ZINC000765717941 577070362 /nfs/dbraw/zinc/07/03/62/577070362.db2.gz MEXQDRPIGLSYKR-IAGOWNOFSA-N 1 0 342.487 2.687 20 10 EFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H]1C ZINC000765717943 577070379 /nfs/dbraw/zinc/07/03/79/577070379.db2.gz MEXQDRPIGLSYKR-SJORKVTESA-N 1 0 342.487 2.687 20 10 EFCDRO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)N(C)C ZINC000765774315 577075228 /nfs/dbraw/zinc/07/52/28/577075228.db2.gz IMPOMZAKLSLWRH-ZIAGYGMSSA-N 1 0 325.884 2.777 20 10 EFCDRO Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(O)c1O ZINC000765808820 577079696 /nfs/dbraw/zinc/07/96/96/577079696.db2.gz JMMWHOKDTPBUKM-YOEHRIQHSA-N 1 0 340.423 2.657 20 10 EFCDRO C[C@@H](CC1CCC1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978252 577094737 /nfs/dbraw/zinc/09/47/37/577094737.db2.gz NGYDYPULNKKVDC-HNNXBMFYSA-N 1 0 336.501 2.590 20 10 EFCDRO CC(C)CC[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978718 577094779 /nfs/dbraw/zinc/09/47/79/577094779.db2.gz GKDALCLDTWVDHD-MRXNPFEDSA-N 1 0 338.517 2.836 20 10 EFCDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765981508 577095000 /nfs/dbraw/zinc/09/50/00/577095000.db2.gz VWKQPEIQAYWXJP-FUHWJXTLSA-N 1 0 336.501 2.590 20 10 EFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCCSc2nccs2)C[C@H]1C ZINC000766247983 577126382 /nfs/dbraw/zinc/12/63/82/577126382.db2.gz GDKDRSNQTBDAFW-OLZOCXBDSA-N 1 0 342.534 2.749 20 10 EFCDRO C[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766270208 577129628 /nfs/dbraw/zinc/12/96/28/577129628.db2.gz PCSYMUFJZLKAIP-JKSUJKDBSA-N 1 0 335.467 2.797 20 10 EFCDRO COC(=O)C[C@@]1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCOC1 ZINC000766471790 577155253 /nfs/dbraw/zinc/15/52/53/577155253.db2.gz ZVYUOCDTMLDSKG-FQEVSTJZSA-N 1 0 341.407 2.871 20 10 EFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](CO)[C@H](C)c2ccccc2)c1O ZINC000766978044 577190586 /nfs/dbraw/zinc/19/05/86/577190586.db2.gz NJUCYTRBIUTYGJ-XIKOKIGWSA-N 1 0 331.387 2.988 20 10 EFCDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCO[C@@H]1C1CC1 ZINC000767196100 577199457 /nfs/dbraw/zinc/19/94/57/577199457.db2.gz RXYVBROIWASSOB-UXHICEINSA-N 1 0 348.462 2.957 20 10 EFCDRO CS(=O)(=O)CC1(C[N@H+](Cc2ccccc2O)C2CCCC2)CC1 ZINC000767397348 577207272 /nfs/dbraw/zinc/20/72/72/577207272.db2.gz FXWNLVYVZDQTCQ-UHFFFAOYSA-N 1 0 337.485 2.962 20 10 EFCDRO OC[C@H](C[NH2+]Cc1ccccc1O)Cc1cc(F)c(F)c(F)c1 ZINC000767710802 577229621 /nfs/dbraw/zinc/22/96/21/577229621.db2.gz IFQKWIVSKPBPMX-LBPRGKRZSA-N 1 0 325.330 2.750 20 10 EFCDRO COc1cccc(O)c1C[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000725841629 577243746 /nfs/dbraw/zinc/24/37/46/577243746.db2.gz PEDFWDMFCFUFLH-UHFFFAOYSA-N 1 0 334.460 2.526 20 10 EFCDRO CS(=O)(=O)Nc1cccc(C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000725845095 577246256 /nfs/dbraw/zinc/24/62/56/577246256.db2.gz KHHBNTQINLGFBT-UHFFFAOYSA-N 1 0 340.832 2.707 20 10 EFCDRO COc1cccc(O)c1C[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000725847989 577248159 /nfs/dbraw/zinc/24/81/59/577248159.db2.gz LXRCEWWAGQIDPW-UHFFFAOYSA-N 1 0 340.423 2.927 20 10 EFCDRO CCOc1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c(O)c1 ZINC000725852351 577250926 /nfs/dbraw/zinc/25/09/26/577250926.db2.gz XYEAPLXYZKRMGS-UHFFFAOYSA-N 1 0 332.366 2.907 20 10 EFCDRO COc1ccccc1N1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000768139441 577257026 /nfs/dbraw/zinc/25/70/26/577257026.db2.gz PBNQURQQNCIMGI-UHFFFAOYSA-N 1 0 328.412 2.732 20 10 EFCDRO COc1ccc(CCC[N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)cc1 ZINC000768442752 577273997 /nfs/dbraw/zinc/27/39/97/577273997.db2.gz NQICOMKIBLZCCK-LJQANCHMSA-N 1 0 343.423 2.891 20 10 EFCDRO CCC[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000768446399 577274404 /nfs/dbraw/zinc/27/44/04/577274404.db2.gz NQOYXRIESXKKMV-ZFKCKOODSA-N 1 0 347.455 2.844 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccccc3F)C1)[C@H](O)CO2 ZINC000768448535 577274775 /nfs/dbraw/zinc/27/47/75/577274775.db2.gz CLRYNIPODYJWBH-KZULUSFZSA-N 1 0 329.371 2.947 20 10 EFCDRO COc1ccc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)cc1C ZINC000768453619 577275264 /nfs/dbraw/zinc/27/52/64/577275264.db2.gz ZXONJCAMNXDXLO-QGZVFWFLSA-N 1 0 329.396 2.767 20 10 EFCDRO C[C@@]1(c2ccccc2)C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000768462726 577275885 /nfs/dbraw/zinc/27/58/85/577275885.db2.gz CFSJHFKWWIYWHK-QUCCMNQESA-N 1 0 341.407 2.566 20 10 EFCDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OC[C@H]3O)n1 ZINC000768463658 577276038 /nfs/dbraw/zinc/27/60/38/577276038.db2.gz VNZMXCBUOVBQMA-FUHWJXTLSA-N 1 0 326.396 2.859 20 10 EFCDRO Oc1cc2c(cc1C[NH2+]C1(c3ccccc3)CCOCC1)[C@H](O)CO2 ZINC000768464585 577276174 /nfs/dbraw/zinc/27/61/74/577276174.db2.gz CIBYZIKGXZMRKD-GOSISDBHSA-N 1 0 341.407 2.614 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000768531380 577280946 /nfs/dbraw/zinc/28/09/46/577280946.db2.gz CZIQHHVEJPSPIT-OAHLLOKOSA-N 1 0 333.350 2.926 20 10 EFCDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000768676558 577294340 /nfs/dbraw/zinc/29/43/40/577294340.db2.gz DQZXUEKDAQRWLC-PMPSAXMXSA-N 1 0 346.450 2.814 20 10 EFCDRO Cc1cc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000768845818 577309026 /nfs/dbraw/zinc/30/90/26/577309026.db2.gz OSUXNZKZRAFARC-HUUCEWRRSA-N 1 0 326.444 2.654 20 10 EFCDRO CCOc1cccc(N2CC[NH+](Cc3c(O)cccc3OC)CC2)n1 ZINC000768893920 577314755 /nfs/dbraw/zinc/31/47/55/577314755.db2.gz VFSISHBKRAYBEJ-UHFFFAOYSA-N 1 0 343.427 2.517 20 10 EFCDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769209849 577344780 /nfs/dbraw/zinc/34/47/80/577344780.db2.gz NOPCZUCWEWWHOY-GJZGRUSLSA-N 1 0 334.460 2.918 20 10 EFCDRO CN1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)Cc2ccccc21 ZINC000769320125 577351797 /nfs/dbraw/zinc/35/17/97/577351797.db2.gz IOFMHTRZVJYLHH-UHFFFAOYSA-N 1 0 337.467 2.975 20 10 EFCDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000726242866 577357432 /nfs/dbraw/zinc/35/74/32/577357432.db2.gz AMTYKMLCAHNGAX-MRXNPFEDSA-N 1 0 343.427 2.791 20 10 EFCDRO CC[NH+]1CCC(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000726275774 577360395 /nfs/dbraw/zinc/36/03/95/577360395.db2.gz YWAOBMBSBPIKCT-UHFFFAOYSA-N 1 0 332.492 2.626 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)CCC3CC3)CC2)cc1 ZINC000769413560 577360784 /nfs/dbraw/zinc/36/07/84/577360784.db2.gz JBFSGKNQNGDMGV-QGZVFWFLSA-N 1 0 331.504 2.986 20 10 EFCDRO CCOc1ccc(C[N@H+](C)[C@@H](CO)c2ccc(OC)cc2)c(O)c1 ZINC000769425203 577361782 /nfs/dbraw/zinc/36/17/82/577361782.db2.gz OKENEBDHCCTPJF-SFHVURJKSA-N 1 0 331.412 2.965 20 10 EFCDRO CC(C)(CO)[NH+]1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000769446729 577362714 /nfs/dbraw/zinc/36/27/14/577362714.db2.gz SUBZRDYPAMRMAT-UHFFFAOYSA-N 1 0 331.504 2.565 20 10 EFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C3CC(C(F)F)C3)cc2)C1 ZINC000769541215 577371446 /nfs/dbraw/zinc/37/14/46/577371446.db2.gz RDOKVUHRAWNSGR-WLYUNCDWSA-N 1 0 337.414 2.522 20 10 EFCDRO C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CN(C)CCO1 ZINC000769933870 577394205 /nfs/dbraw/zinc/39/42/05/577394205.db2.gz JRLSFZUHDXXVNI-YWZLYKJASA-N 1 0 326.440 2.868 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c(O)c1 ZINC000770382920 577414208 /nfs/dbraw/zinc/41/42/08/577414208.db2.gz FQLIUXWEAPCUQB-SJLPKXTDSA-N 1 0 345.443 2.613 20 10 EFCDRO Cn1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000771055773 581169425 /nfs/dbraw/zinc/16/94/25/581169425.db2.gz FAOVGJJCRWPAIB-MRXNPFEDSA-N 1 0 347.846 2.779 20 10 EFCDRO Cc1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(O)c1O ZINC000771505917 581219101 /nfs/dbraw/zinc/21/91/01/581219101.db2.gz DPUNXQPIYTWFDZ-CJNGLKHVSA-N 1 0 328.412 2.827 20 10 EFCDRO Cc1ccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(O)c1O ZINC000771505915 581219175 /nfs/dbraw/zinc/21/91/75/581219175.db2.gz DPUNXQPIYTWFDZ-BBRMVZONSA-N 1 0 328.412 2.827 20 10 EFCDRO O=C(NCc1ccccc1O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000772454117 581324893 /nfs/dbraw/zinc/32/48/93/581324893.db2.gz QUWSMWRHKGILQD-UHFFFAOYSA-N 1 0 340.427 2.503 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000773101370 581396611 /nfs/dbraw/zinc/39/66/11/581396611.db2.gz BVDIQOUCDVNNHT-ZIAGYGMSSA-N 1 0 342.480 2.900 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H](CO)CC(F)(F)F)CC2)cc1 ZINC000773106034 581396866 /nfs/dbraw/zinc/39/68/66/581396866.db2.gz JJKPDXAFZXZTAK-ZDUSSCGKSA-N 1 0 332.366 2.567 20 10 EFCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)ncn1 ZINC000773108462 581397305 /nfs/dbraw/zinc/39/73/05/581397305.db2.gz YPCAFDHDEFPBQP-CQSZACIVSA-N 1 0 330.407 2.612 20 10 EFCDRO CCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773129786 581399305 /nfs/dbraw/zinc/39/93/05/581399305.db2.gz OIZIQMFEHOYMRL-HNNXBMFYSA-N 1 0 332.492 2.987 20 10 EFCDRO C[C@@H](NC(=O)NCC1([NH+](C)C)CCCC1)c1ccc(N(C)C)cc1 ZINC000773364445 581423211 /nfs/dbraw/zinc/42/32/11/581423211.db2.gz HRGJKMGWPBMDAY-OAHLLOKOSA-N 1 0 332.492 2.987 20 10 EFCDRO C[C@@H](NC(=O)NC[C@H](C)[NH+]1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773366739 581423478 /nfs/dbraw/zinc/42/34/78/581423478.db2.gz GIZIZILPUAMPOR-JKSUJKDBSA-N 1 0 332.492 2.987 20 10 EFCDRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773369782 581423677 /nfs/dbraw/zinc/42/36/77/581423677.db2.gz CKZAHQUDDRKURG-HZPDHXFCSA-N 1 0 332.492 2.845 20 10 EFCDRO C[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C[NH+]1CCCC1 ZINC000773368112 581423800 /nfs/dbraw/zinc/42/38/00/581423800.db2.gz OSWLECFZEGUFNN-CVEARBPZSA-N 1 0 332.492 2.845 20 10 EFCDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773369718 581423903 /nfs/dbraw/zinc/42/39/03/581423903.db2.gz XLYVQDSWJZVKEK-HOTGVXAUSA-N 1 0 332.492 2.843 20 10 EFCDRO C[C@H](NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773371703 581423932 /nfs/dbraw/zinc/42/39/32/581423932.db2.gz ULTWRLWRZUALTB-DZKIICNBSA-N 1 0 330.476 2.738 20 10 EFCDRO C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC000773400651 581427098 /nfs/dbraw/zinc/42/70/98/581427098.db2.gz ANLPXNJNBPPEFM-LESCRADOSA-N 1 0 332.492 2.986 20 10 EFCDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C(=O)NCCOC)CC[C@H]2C)cc1 ZINC000773748919 581460996 /nfs/dbraw/zinc/46/09/96/581460996.db2.gz GEEDEPBFDDHNEM-AEFFLSMTSA-N 1 0 347.503 2.506 20 10 EFCDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)o1 ZINC000773750738 581461428 /nfs/dbraw/zinc/46/14/28/581461428.db2.gz WJDHMSAXEWPYTM-CYBMUJFWSA-N 1 0 346.427 2.894 20 10 EFCDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(N(C)CC)cc1)CC2 ZINC000773752650 581461464 /nfs/dbraw/zinc/46/14/64/581461464.db2.gz IRKPUJJVYWQEED-MOPGFXCFSA-N 1 0 332.488 2.895 20 10 EFCDRO CCN(C)c1ccc(C[N@H+](C)CC(C)(C)CN2CCOCC2)cc1 ZINC000773798141 581465055 /nfs/dbraw/zinc/46/50/55/581465055.db2.gz RHDFFBOZNMILPN-UHFFFAOYSA-N 1 0 333.520 2.933 20 10 EFCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1 ZINC000773824998 581466468 /nfs/dbraw/zinc/46/64/68/581466468.db2.gz WBMCDUXJDWYGBC-UXHICEINSA-N 1 0 342.487 2.964 20 10 EFCDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774256765 581488155 /nfs/dbraw/zinc/48/81/55/581488155.db2.gz OAALWQAJENIZJA-RHSMWYFYSA-N 1 0 334.533 2.762 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+]CCc2cnccn2)ccc1N1CCCCC1 ZINC000774830854 581501876 /nfs/dbraw/zinc/50/18/76/581501876.db2.gz FIIQGCCQXIEBPA-UHFFFAOYSA-N 1 0 341.415 2.707 20 10 EFCDRO COc1c([O-])c(C[NH2+]C2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000774964013 581505232 /nfs/dbraw/zinc/50/52/32/581505232.db2.gz MSZQKDOLNYCFPI-UHFFFAOYSA-N 1 0 337.420 2.519 20 10 EFCDRO COc1cc(C[NH2+]CCCC(=O)NC2CC2)c(O)c(C(C)(C)C)c1 ZINC000850029611 1250233760 /nfs/dbraw/zinc/23/37/60/1250233760.db2.gz CZPJCWFIYCGAEF-UHFFFAOYSA-N 1 0 334.460 2.847 20 10 EFCDRO C[C@H]([NH2+]Cc1cnc2n1CCC2)c1ccc(N2CCOCC2)cc1 ZINC000850076869 1250265161 /nfs/dbraw/zinc/26/51/61/1250265161.db2.gz FKDNGUGWJVIWBH-HNNXBMFYSA-N 1 0 326.444 2.517 20 10 EFCDRO COc1cc(C[NH2+]C[C@H](O)COCC2CC2)c(O)c(C(C)(C)C)c1 ZINC000850101477 1250279755 /nfs/dbraw/zinc/27/97/55/1250279755.db2.gz MTHNRUCQOLUHIC-HNNXBMFYSA-N 1 0 337.460 2.575 20 10 EFCDRO COc1cc(C[NH2+]CCNC(=O)C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000850121158 1250296552 /nfs/dbraw/zinc/29/65/52/1250296552.db2.gz NONHLJZTVHAJOG-UHFFFAOYSA-N 1 0 336.476 2.950 20 10 EFCDRO COc1cc(C[NH2+][C@H]2CCN(C(C)C)C2=O)c(O)c(C(C)(C)C)c1 ZINC000850136832 1250308386 /nfs/dbraw/zinc/30/83/86/1250308386.db2.gz FQEBXPZTOUMHPW-INIZCTEOSA-N 1 0 334.460 2.797 20 10 EFCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000850136973 1250309104 /nfs/dbraw/zinc/30/91/04/1250309104.db2.gz HSXVORSLSNKTRR-GOSISDBHSA-N 1 0 329.396 2.858 20 10 EFCDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850189661 1250346735 /nfs/dbraw/zinc/34/67/35/1250346735.db2.gz IVZSDXQKCCZVOH-CQSZACIVSA-N 1 0 334.460 2.799 20 10 EFCDRO CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(F)ccc3O)C2)C1=O ZINC001273283914 1265475886 /nfs/dbraw/zinc/47/58/86/1265475886.db2.gz CBXSCKKUKJZJKH-BFUOFWGJSA-N 1 0 348.418 2.671 20 10 EFCDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850246146 1250372360 /nfs/dbraw/zinc/37/23/60/1250372360.db2.gz GFLLUBQZGUYOLB-DLBZAZTESA-N 1 0 337.460 2.982 20 10 EFCDRO CCOC1CC(O)(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850279889 1250393999 /nfs/dbraw/zinc/39/39/99/1250393999.db2.gz RESWGSCMDMWXFR-UHFFFAOYSA-N 1 0 337.460 2.718 20 10 EFCDRO CCc1ncc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000850405983 1250468235 /nfs/dbraw/zinc/46/82/35/1250468235.db2.gz MZXCILSLFHRXHZ-UHFFFAOYSA-N 1 0 331.485 2.956 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000850405191 1250468529 /nfs/dbraw/zinc/46/85/29/1250468529.db2.gz JJNQHEURZVALLD-UHFFFAOYSA-N 1 0 326.440 2.946 20 10 EFCDRO COc1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1O ZINC000850405930 1250468693 /nfs/dbraw/zinc/46/86/93/1250468693.db2.gz KRSTZGWMSXPPDD-UHFFFAOYSA-N 1 0 342.439 2.652 20 10 EFCDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000850406360 1250469709 /nfs/dbraw/zinc/46/97/09/1250469709.db2.gz CXKOIXGLOWKGAD-PXNSSMCTSA-N 1 0 332.488 2.941 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1O ZINC000850405492 1250470113 /nfs/dbraw/zinc/47/01/13/1250470113.db2.gz QHRLFYLUILDGNV-UHFFFAOYSA-N 1 0 342.439 2.652 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cccc4nccn43)cc2)CC1 ZINC000850406263 1250470267 /nfs/dbraw/zinc/47/02/67/1250470267.db2.gz ZAPXGOSMIZLZEI-UHFFFAOYSA-N 1 0 336.439 2.585 20 10 EFCDRO COc1cccc(C[NH2+]Cc2ccc(N3CCCNC3=O)cc2)c1O ZINC000850413760 1250473144 /nfs/dbraw/zinc/47/31/44/1250473144.db2.gz PBFUIULMNYPTDP-UHFFFAOYSA-N 1 0 341.411 2.610 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(N2CCOCC2)cc1 ZINC000850428136 1250486076 /nfs/dbraw/zinc/48/60/76/1250486076.db2.gz KQPXLKHRKKCIPM-MAUKXSAKSA-N 1 0 326.444 2.905 20 10 EFCDRO COC1([C@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CCC1 ZINC000850475283 1250498851 /nfs/dbraw/zinc/49/88/51/1250498851.db2.gz VUDDIMUZCYCAKT-ZDUSSCGKSA-N 1 0 340.414 2.849 20 10 EFCDRO COc1ccc(N2C[C@H]([NH2+][C@@H](C)c3cc(F)ccc3O)CC2=O)cc1 ZINC000850516095 1250519552 /nfs/dbraw/zinc/51/95/52/1250519552.db2.gz SLIDONFHKCOEDL-GXTWGEPZSA-N 1 0 344.386 2.996 20 10 EFCDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1cc(F)ccc1O ZINC000850531006 1250525346 /nfs/dbraw/zinc/52/53/46/1250525346.db2.gz GCERCVMQHGWWHM-GFCCVEGCSA-N 1 0 329.437 2.929 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCCCC2)c1 ZINC000850532654 1250526171 /nfs/dbraw/zinc/52/61/71/1250526171.db2.gz WXSKMJYUWSCBDR-CYBMUJFWSA-N 1 0 341.473 2.799 20 10 EFCDRO COC(=O)N(C)CC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000850548383 1250529540 /nfs/dbraw/zinc/52/95/40/1250529540.db2.gz PUSKXOSMBJMUJK-SECBINFHSA-N 1 0 331.210 2.504 20 10 EFCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H]2CCO[C@@H]21 ZINC000850565939 1250539637 /nfs/dbraw/zinc/53/96/37/1250539637.db2.gz JTFVWEIGJDIRTP-QRVBRYPASA-N 1 0 330.472 2.551 20 10 EFCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000850568002 1250540236 /nfs/dbraw/zinc/54/02/36/1250540236.db2.gz NUEZYVKRLRDTOV-NIKGAXFTSA-N 1 0 332.488 2.797 20 10 EFCDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567988 1250540754 /nfs/dbraw/zinc/54/07/54/1250540754.db2.gz NHDMHAFCVLJPNW-IBGZPJMESA-N 1 0 340.471 2.548 20 10 EFCDRO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568333 1250540824 /nfs/dbraw/zinc/54/08/24/1250540824.db2.gz VREUKOIHLNCDDQ-FXAWDEMLSA-N 1 0 332.488 2.943 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1nccn1C ZINC000850567897 1250540872 /nfs/dbraw/zinc/54/08/72/1250540872.db2.gz LOWDNCDWRPFMKU-GOSISDBHSA-N 1 0 328.460 2.622 20 10 EFCDRO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568030 1250541369 /nfs/dbraw/zinc/54/13/69/1250541369.db2.gz OCTNEIMWAAPHQK-FQEVSTJZSA-N 1 0 342.487 2.659 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1 ZINC000851654388 1251176946 /nfs/dbraw/zinc/17/69/46/1251176946.db2.gz AOAVVLQAAGHVBC-QAPCUYQASA-N 1 0 332.492 2.802 20 10 EFCDRO CN(C)c1ccc(C[N@H+](CCc2nnn(C(C)(C)C)n2)C2CC2)cc1 ZINC000851732886 1251229725 /nfs/dbraw/zinc/22/97/25/1251229725.db2.gz ZKZWYOSUIWXLEU-UHFFFAOYSA-N 1 0 342.491 2.701 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CC(C)(F)F)C[C@H]2C)cc1C ZINC000939076556 1252709219 /nfs/dbraw/zinc/70/92/19/1252709219.db2.gz DYAQFHADDLCGJU-UKRRQHHQSA-N 1 0 340.414 2.985 20 10 EFCDRO O=C(c1ccoc1)N1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921522842 1256909131 /nfs/dbraw/zinc/90/91/31/1256909131.db2.gz SBSUUYAHFUQIPF-UHFFFAOYSA-N 1 0 340.423 2.999 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3oncc3C)CC2)cc1C ZINC000997147838 1257074529 /nfs/dbraw/zinc/07/45/29/1257074529.db2.gz ZUYJKZBGXUFKLD-UHFFFAOYSA-N 1 0 343.427 2.694 20 10 EFCDRO COCCOc1ncccc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921537456 1257078881 /nfs/dbraw/zinc/07/88/81/1257078881.db2.gz LLSWLMGLXNZWKV-UHFFFAOYSA-N 1 0 328.412 2.722 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)COc1cccc(F)c1 ZINC000921587128 1257510850 /nfs/dbraw/zinc/51/08/50/1257510850.db2.gz QEJUYRGNMIKXRD-KRWDZBQOSA-N 1 0 331.387 2.680 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCC([NH2+]CC3CCC3)CC2)cc1 ZINC000997390749 1257565339 /nfs/dbraw/zinc/56/53/39/1257565339.db2.gz IHRHKEFYNXOBNX-UHFFFAOYSA-N 1 0 343.431 2.843 20 10 EFCDRO CC(C)C[NH2+]C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000997390705 1257565693 /nfs/dbraw/zinc/56/56/93/1257565693.db2.gz GYSDIGAERBLFHV-UHFFFAOYSA-N 1 0 331.420 2.699 20 10 EFCDRO CC[C@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3ccc(C)cc3O)C2)C1=O ZINC001272764983 1257678533 /nfs/dbraw/zinc/67/85/33/1257678533.db2.gz FKBNZWAPNFBGIN-YWZLYKJASA-N 1 0 344.455 2.840 20 10 EFCDRO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C)cc1O ZINC001272764925 1257680520 /nfs/dbraw/zinc/68/05/20/1257680520.db2.gz CTXKPVSKCQTXMB-MGPUTAFESA-N 1 0 344.455 2.635 20 10 EFCDRO COc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3C[C@H]3C)CC2)cc1C ZINC000997504406 1257799211 /nfs/dbraw/zinc/79/92/11/1257799211.db2.gz VRYAXFNVOWWCFN-KDOFPFPSSA-N 1 0 330.472 2.988 20 10 EFCDRO CC[C@H](OC)C(=O)N1CCC(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000997589743 1258072092 /nfs/dbraw/zinc/07/20/92/1258072092.db2.gz LPNAHWJRVBQNSI-SFHVURJKSA-N 1 0 348.487 2.757 20 10 EFCDRO COc1ccc(C[NH2+]CC2CCN(C(=O)c3cnco3)CC2)cc1C ZINC000997948182 1258820070 /nfs/dbraw/zinc/82/00/70/1258820070.db2.gz SIJGWDSUNDQVLK-UHFFFAOYSA-N 1 0 343.427 2.634 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3ccccn3)C2)cc1C ZINC000998390518 1259485874 /nfs/dbraw/zinc/48/58/74/1259485874.db2.gz UGIMCCBAPZQPGU-KRWDZBQOSA-N 1 0 339.439 2.793 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3cccn3C)C2)cc1C ZINC000998472309 1259568131 /nfs/dbraw/zinc/56/81/31/1259568131.db2.gz VFQBVHGHILHUBU-UHFFFAOYSA-N 1 0 341.455 2.735 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3ccoc3)C2)cc1C ZINC000998542039 1259665620 /nfs/dbraw/zinc/66/56/20/1259665620.db2.gz VFWCVDAABMZXDM-KRWDZBQOSA-N 1 0 328.412 2.991 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3cccn3C)C2)cc1C ZINC000998565544 1259691629 /nfs/dbraw/zinc/69/16/29/1259691629.db2.gz ZBZTZNGRNAZTAY-KRWDZBQOSA-N 1 0 341.455 2.737 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)cc1C ZINC000998620001 1259757808 /nfs/dbraw/zinc/75/78/08/1259757808.db2.gz DMMKSKTVPGRYBF-ZWKOTPCHSA-N 1 0 346.471 2.653 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3ccn(C)c3)C2)cc1C ZINC000998628921 1259769443 /nfs/dbraw/zinc/76/94/43/1259769443.db2.gz SYQMBHYRFNCNDK-UHFFFAOYSA-N 1 0 341.455 2.735 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)Cc3ccoc3)C2)cc1C ZINC000998680272 1259822951 /nfs/dbraw/zinc/82/29/51/1259822951.db2.gz LVAISGTZAJIXNU-UHFFFAOYSA-N 1 0 342.439 2.918 20 10 EFCDRO CC[C@H](OC)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000998703519 1259845341 /nfs/dbraw/zinc/84/53/41/1259845341.db2.gz DBRCXMWYDXPLJN-SJORKVTESA-N 1 0 334.460 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3ocnc3C)C2)cc1C ZINC000998821106 1259991233 /nfs/dbraw/zinc/99/12/33/1259991233.db2.gz CWJMERAOQKYXAQ-MRXNPFEDSA-N 1 0 343.427 2.694 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC2CC[NH+](CCC3CC3)CC2)cc1 ZINC001004244003 1266317290 /nfs/dbraw/zinc/31/72/90/1266317290.db2.gz WJWLTBUVMDHOML-UHFFFAOYSA-N 1 0 343.431 2.843 20 10 EFCDRO CC[C@H](F)C[NH+]1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001004241262 1266345972 /nfs/dbraw/zinc/34/59/72/1266345972.db2.gz JTECQKHTBVMSQI-ZDUSSCGKSA-N 1 0 349.410 2.791 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC2CC[NH+](CC3CCC3)CC2)cc1 ZINC001004243434 1266351398 /nfs/dbraw/zinc/35/13/98/1266351398.db2.gz SEAVDLJQVRRHBS-UHFFFAOYSA-N 1 0 343.431 2.843 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2=O)cc1F ZINC000131669817 1261013215 /nfs/dbraw/zinc/01/32/15/1261013215.db2.gz PQVKRMBKUTUDRX-KRWDZBQOSA-N 1 0 333.451 2.915 20 10 EFCDRO CC(C)CN1CC[C@]2(CCC[N@H+](Cc3ccc(O)c(O)c3)CC2)C1=O ZINC001272902841 1261295129 /nfs/dbraw/zinc/29/51/29/1261295129.db2.gz HXVQCKPOQZBOTF-HXUWFJFHSA-N 1 0 346.471 2.958 20 10 EFCDRO CC[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001272903400 1261295958 /nfs/dbraw/zinc/29/59/58/1261295958.db2.gz SNTCUTANCUADLD-HIFRSBDPSA-N 1 0 332.444 2.615 20 10 EFCDRO CC(C)=CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001272903347 1261296310 /nfs/dbraw/zinc/29/63/10/1261296310.db2.gz RBGATDNRLWSHTN-MRXNPFEDSA-N 1 0 344.455 2.782 20 10 EFCDRO CC[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccc(N(C)C)cc3)C2)C1=O ZINC001272916984 1261328180 /nfs/dbraw/zinc/32/81/80/1261328180.db2.gz OCHOIMWNXVMCSM-OXQOHEQNSA-N 1 0 329.488 2.976 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)CC(C)C)CCCO2)cc1C ZINC001078322890 1261626036 /nfs/dbraw/zinc/62/60/36/1261626036.db2.gz VWDGZYGWDNGXAD-SFHVURJKSA-N 1 0 348.487 2.757 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]([NH2+]CCC3CC3)C2)cc1 ZINC001001033257 1261817891 /nfs/dbraw/zinc/81/78/91/1261817891.db2.gz VRZFYQPWGXDTHJ-INIZCTEOSA-N 1 0 343.431 2.843 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3CC3)C23CCC3)cc1C ZINC001078526512 1261896515 /nfs/dbraw/zinc/89/65/15/1261896515.db2.gz PNMYVROFBQPVER-ROUUACIJSA-N 1 0 328.456 2.931 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C(F)F)C23CCC3)cc1C ZINC001078524736 1261925662 /nfs/dbraw/zinc/92/56/62/1261925662.db2.gz WLBXKZDWEJBESW-GJZGRUSLSA-N 1 0 338.398 2.786 20 10 EFCDRO CC(C)[NH2+][C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C12CCC2 ZINC001078823682 1262411673 /nfs/dbraw/zinc/41/16/73/1262411673.db2.gz RZNZYRQOCPQIHT-GJZGRUSLSA-N 1 0 343.431 2.888 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CCCO3)C[C@H]2C)cc1C ZINC001082433926 1263161158 /nfs/dbraw/zinc/16/11/58/1263161158.db2.gz NIUWJUZONXGANP-KBAYOESNSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@H](C)CC(C)(C)O)c1O ZINC000824696778 1278230903 /nfs/dbraw/zinc/23/09/03/1278230903.db2.gz SNVPXNHNFCCVEW-SECBINFHSA-N 1 0 332.238 2.802 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+]CC(C)(C)N2CCC(OC)CC2)c1 ZINC000730817848 1264452193 /nfs/dbraw/zinc/45/21/93/1264452193.db2.gz XBHCSSAPDDHPIL-UHFFFAOYSA-N 1 0 336.476 2.770 20 10 EFCDRO COc1cccc(C[NH2+]CC2(N3CCC(OC)CC3)CCCC2)c1O ZINC000730818021 1264452978 /nfs/dbraw/zinc/45/29/78/1264452978.db2.gz YZTDUDJIVFDKFE-UHFFFAOYSA-N 1 0 348.487 2.914 20 10 EFCDRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCO1 ZINC000922164454 1264735586 /nfs/dbraw/zinc/73/55/86/1264735586.db2.gz ZZAACSDZFQPMPI-LPHOPBHVSA-N 1 0 327.428 2.755 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N(C)CC[NH+](C)C)c2C)cc1 ZINC000080391801 1264926099 /nfs/dbraw/zinc/92/60/99/1264926099.db2.gz HZHJWUVOZFBIOE-UHFFFAOYSA-N 1 0 329.444 2.736 20 10 EFCDRO Cn1ccnc1[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C(C)(C)CO ZINC000824673415 1278239597 /nfs/dbraw/zinc/23/95/97/1278239597.db2.gz SPBRBARJNOPOON-CQSZACIVSA-N 1 0 341.814 2.768 20 10 EFCDRO COC1CCN(C(C)(C)C[NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000733328708 1265171077 /nfs/dbraw/zinc/17/10/77/1265171077.db2.gz ZBWVVJUTKGXMFE-UHFFFAOYSA-N 1 0 337.483 2.871 20 10 EFCDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000824709173 1278257613 /nfs/dbraw/zinc/25/76/13/1278257613.db2.gz OEQOQZCJIPZHRZ-RISCZKNCSA-N 1 0 344.249 2.604 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cn[nH]c2)cc1C ZINC001085139951 1265295248 /nfs/dbraw/zinc/29/52/48/1265295248.db2.gz IOKOTYCJVGLOTD-IAGOWNOFSA-N 1 0 342.443 2.558 20 10 EFCDRO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(C)ccc(C)c1O ZINC001273049174 1266788769 /nfs/dbraw/zinc/78/87/69/1266788769.db2.gz OQBFXSVBQCTSFF-BMGDILEWSA-N 1 0 344.455 2.552 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000734520584 1266999557 /nfs/dbraw/zinc/99/95/57/1266999557.db2.gz KJDWDNUBHIJZNZ-UHFFFAOYSA-N 1 0 344.503 2.735 20 10 EFCDRO Cc1cc(O)c(CN2CCC([N@H+](C)CCCO)CC2)cc1Cl ZINC000824815024 1278300911 /nfs/dbraw/zinc/30/09/11/1278300911.db2.gz YPLIKJQBUUBFMZ-UHFFFAOYSA-N 1 0 326.868 2.633 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000734654604 1267056607 /nfs/dbraw/zinc/05/66/07/1267056607.db2.gz BQQVPMCOQIFYQI-UHFFFAOYSA-N 1 0 346.519 2.982 20 10 EFCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000824856547 1278315041 /nfs/dbraw/zinc/31/50/41/1278315041.db2.gz ZSJKWYKDFKLEIR-LBPRGKRZSA-N 1 0 328.206 2.682 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCSC[C@H]3C3CC3)cc2)CC1 ZINC000824914544 1278340432 /nfs/dbraw/zinc/34/04/32/1278340432.db2.gz UNVCVKYUXGYBIF-IBGZPJMESA-N 1 0 331.529 2.766 20 10 EFCDRO COc1c([O-])c(C[NH2+]C(C)(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000824914523 1278340806 /nfs/dbraw/zinc/34/08/06/1278340806.db2.gz TXTAJGRIODCVFY-UHFFFAOYSA-N 1 0 325.409 2.519 20 10 EFCDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(O)c2O)cc1 ZINC000186798410 1267721394 /nfs/dbraw/zinc/72/13/94/1267721394.db2.gz XUWLMCUNRGZKTD-UHFFFAOYSA-N 1 0 328.412 2.870 20 10 EFCDRO O=C1N=NCN1C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000828407440 1267744221 /nfs/dbraw/zinc/74/42/21/1267744221.db2.gz IUFWEBBPFJFHRN-UHFFFAOYSA-N 1 0 341.459 2.811 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+]CCCNc1ncccn1 ZINC000825037998 1278391387 /nfs/dbraw/zinc/39/13/87/1278391387.db2.gz MXIDOJVHDKXMHD-UHFFFAOYSA-N 1 0 337.221 2.537 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@H](CO)CC(C)(C)C ZINC000825040996 1278393437 /nfs/dbraw/zinc/39/34/37/1278393437.db2.gz XYNZWTRKQNAJBL-INIZCTEOSA-N 1 0 338.467 2.891 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)c1 ZINC000825046034 1278396829 /nfs/dbraw/zinc/39/68/29/1278396829.db2.gz OSNSXXKPDFWCHI-RDTXWAMCSA-N 1 0 331.416 2.534 20 10 EFCDRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1ccc(Br)cc1O)C2 ZINC000825096243 1278410452 /nfs/dbraw/zinc/41/04/52/1278410452.db2.gz DEGAJUJYGYRHJB-AWEZNQCLSA-N 1 0 348.244 2.900 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000825138680 1278425742 /nfs/dbraw/zinc/42/57/42/1278425742.db2.gz SQYCQXFETDIWNU-JKSUJKDBSA-N 1 0 334.213 2.903 20 10 EFCDRO Cc1cc(C(=O)NC[C@H]2C[NH2+]CCCO2)c(C)n1-c1cccc(C)c1 ZINC000825183410 1278443299 /nfs/dbraw/zinc/44/32/99/1278443299.db2.gz MXXBPVARWRNYTF-GOSISDBHSA-N 1 0 341.455 2.511 20 10 EFCDRO Cc1cc(C(=O)NC[C@@H]2C[NH2+]CCCO2)c(C)n1-c1cccc(C)c1 ZINC000825183412 1278443373 /nfs/dbraw/zinc/44/33/73/1278443373.db2.gz MXXBPVARWRNYTF-SFHVURJKSA-N 1 0 341.455 2.511 20 10 EFCDRO C[NH+](C)CC(C)(C)CNC(=S)NCc1ccc(N2CC=CC2)cc1 ZINC000740631514 1268984635 /nfs/dbraw/zinc/98/46/35/1268984635.db2.gz OSSZOONXXQKGRB-UHFFFAOYSA-N 1 0 346.544 2.615 20 10 EFCDRO Cn1nc(Br)cc1C[NH2+]CCCSc1nccs1 ZINC000785471381 1269331313 /nfs/dbraw/zinc/33/13/13/1269331313.db2.gz BLVJJWMFGOKSEG-UHFFFAOYSA-N 1 0 347.307 2.911 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)C2CCC2)ccc1N1CCCCC1 ZINC000825240915 1278483573 /nfs/dbraw/zinc/48/35/73/1278483573.db2.gz QVTNZUFUWRFIBY-SFHVURJKSA-N 1 0 333.432 2.836 20 10 EFCDRO CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994093 1269447821 /nfs/dbraw/zinc/44/78/21/1269447821.db2.gz BNXNWXMTKDOJNR-OAHLLOKOSA-N 1 0 331.420 2.795 20 10 EFCDRO CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994092 1269447880 /nfs/dbraw/zinc/44/78/80/1269447880.db2.gz BNXNWXMTKDOJNR-HNNXBMFYSA-N 1 0 331.420 2.795 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000825255270 1278487735 /nfs/dbraw/zinc/48/77/35/1278487735.db2.gz ZHWLPXZOCVVYDF-AWEZNQCLSA-N 1 0 325.250 2.729 20 10 EFCDRO CN(CC[NH2+]Cc1ccc(Br)cc1O)CC(F)(F)F ZINC000825259177 1278488887 /nfs/dbraw/zinc/48/88/87/1278488887.db2.gz HEFUQHBTCHRESR-UHFFFAOYSA-N 1 0 341.171 2.738 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cccnc3)C2)cc1C ZINC001086014449 1269525562 /nfs/dbraw/zinc/52/55/62/1269525562.db2.gz RPQAABPYVCDISX-MAEOIBBWSA-N 1 0 339.439 2.697 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)cc1 ZINC000825278294 1278491827 /nfs/dbraw/zinc/49/18/27/1278491827.db2.gz BEBANMMZSPIHMQ-KRWDZBQOSA-N 1 0 332.492 2.768 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+]CCCOC[C@H]1CCOC1 ZINC000825303585 1278498961 /nfs/dbraw/zinc/49/89/61/1278498961.db2.gz KARACEXNQVMFKM-GFCCVEGCSA-N 1 0 344.249 2.688 20 10 EFCDRO CCN(C)c1ccc(CN(C)CC(=O)Nc2cc(C)ccn2)cc1 ZINC000741754167 1269688051 /nfs/dbraw/zinc/68/80/51/1269688051.db2.gz KHIYWMVAYAHRGV-UHFFFAOYSA-N 1 0 326.444 2.917 20 10 EFCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1 ZINC000741754779 1269690323 /nfs/dbraw/zinc/69/03/23/1269690323.db2.gz XHTGAGVULNIQGL-SFHVURJKSA-N 1 0 329.488 2.881 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CCCCO3)C2)cc1C ZINC001086062209 1269735853 /nfs/dbraw/zinc/73/58/53/1269735853.db2.gz PPPVYGQSLVZZQY-ZIFCJYIRSA-N 1 0 346.471 2.557 20 10 EFCDRO CC1(C)CCC[N@@H+]1CCNCc1ccc(N2CCOCC2)c(F)c1 ZINC000825326701 1278506362 /nfs/dbraw/zinc/50/63/62/1278506362.db2.gz PAOMOWSBLRDPTF-UHFFFAOYSA-N 1 0 335.467 2.626 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)cc1F ZINC000825325922 1278506528 /nfs/dbraw/zinc/50/65/28/1278506528.db2.gz IEMKRLJTHSNHMM-PBHICJAKSA-N 1 0 332.423 2.635 20 10 EFCDRO C[NH+]1CCC(C)(C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000701075993 1269868860 /nfs/dbraw/zinc/86/88/60/1269868860.db2.gz KRTYAWUVOFTEEP-UHFFFAOYSA-N 1 0 327.266 2.976 20 10 EFCDRO C[C@@H](F)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700316 1269869040 /nfs/dbraw/zinc/86/90/40/1269869040.db2.gz XHJWTCSETCOXFS-DOMZBBRYSA-N 1 0 349.410 2.743 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)CN1C1CC1 ZINC000825353681 1278519002 /nfs/dbraw/zinc/51/90/02/1278519002.db2.gz OUUOKAIHMOFFDA-MFKMUULPSA-N 1 0 325.250 2.870 20 10 EFCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)c1 ZINC000742391495 1270019793 /nfs/dbraw/zinc/01/97/93/1270019793.db2.gz KJTNKFVYXHLXAP-CEXWTWQISA-N 1 0 336.435 2.947 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000825405238 1278537891 /nfs/dbraw/zinc/53/78/91/1278537891.db2.gz FADZZLHCRCYTNO-ZDUSSCGKSA-N 1 0 342.233 2.930 20 10 EFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)cc2)C1 ZINC000825421595 1278545861 /nfs/dbraw/zinc/54/58/61/1278545861.db2.gz DRZXZSCZTAHEQU-ZAWLATJESA-N 1 0 327.472 2.667 20 10 EFCDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000825502574 1278574289 /nfs/dbraw/zinc/57/42/89/1278574289.db2.gz YRQDGWOOVPUUCC-UWVGGRQHSA-N 1 0 330.222 2.832 20 10 EFCDRO O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000743623532 1270673081 /nfs/dbraw/zinc/67/30/81/1270673081.db2.gz ZKLQXDUXBOBNIJ-MRXNPFEDSA-N 1 0 343.471 2.555 20 10 EFCDRO CC[NH+](CC)C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000743814180 1270765962 /nfs/dbraw/zinc/76/59/62/1270765962.db2.gz WXMPAKLSDKZNGS-QGZVFWFLSA-N 1 0 332.492 2.626 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000701918453 1270795244 /nfs/dbraw/zinc/79/52/44/1270795244.db2.gz GHVSHQIZCVCOQD-GOSISDBHSA-N 1 0 336.432 2.890 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3ccco3)C2)cc1C ZINC001086293567 1270854119 /nfs/dbraw/zinc/85/41/19/1270854119.db2.gz IQYDXRRLDVEJDR-WKILWMFISA-N 1 0 328.412 2.895 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3cc[nH]c3)C2)cc1C ZINC001086374073 1271201006 /nfs/dbraw/zinc/20/10/06/1271201006.db2.gz CKNMDVAAECTUCJ-JCNLHEQBSA-N 1 0 327.428 2.630 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)c(O)c1 ZINC000702553185 1271479174 /nfs/dbraw/zinc/47/91/74/1271479174.db2.gz IWCGFMZWIFALLO-LAUBAEHRSA-N 1 0 340.467 2.988 20 10 EFCDRO CCOC(=O)C1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCCC1 ZINC000792195292 1278637000 /nfs/dbraw/zinc/63/70/00/1278637000.db2.gz KRJNIJSSFRNPDO-UHFFFAOYSA-N 1 0 346.471 2.736 20 10 EFCDRO COc1cc(C(=O)N[C@@H]2CCCC[N@H+](CCC(C)C)C2)cc(OC)n1 ZINC001034289562 1271569956 /nfs/dbraw/zinc/56/99/56/1271569956.db2.gz ZAQKCKXLUIFZCN-MRXNPFEDSA-N 1 0 349.475 2.729 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000745857968 1271660097 /nfs/dbraw/zinc/66/00/97/1271660097.db2.gz MDMDKOOXQVPQSF-DOTOQJQBSA-N 1 0 332.492 2.767 20 10 EFCDRO C[C@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000746168356 1271872915 /nfs/dbraw/zinc/87/29/15/1271872915.db2.gz OLMUKZHGFBIVLF-BBWFWOEESA-N 1 0 345.487 2.573 20 10 EFCDRO CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001034545187 1272261535 /nfs/dbraw/zinc/26/15/35/1272261535.db2.gz SORBIKQZMTWSKA-OAHLLOKOSA-N 1 0 331.420 2.843 20 10 EFCDRO COc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CCCO2)cc1C ZINC001168970783 1272561489 /nfs/dbraw/zinc/56/14/89/1272561489.db2.gz JGURCCJNECJRRR-QFBILLFUSA-N 1 0 348.487 2.947 20 10 EFCDRO CCN(CC)C(=O)C[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001169478489 1272942707 /nfs/dbraw/zinc/94/27/07/1272942707.db2.gz QKVHGMLNVRAXNX-QGZVFWFLSA-N 1 0 347.503 2.602 20 10 EFCDRO O=C(c1ccccc1)N1CCC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001169727542 1273105583 /nfs/dbraw/zinc/10/55/83/1273105583.db2.gz DRJXCVNUEFFVEO-KRWDZBQOSA-N 1 0 340.423 2.535 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2cc[nH]c2)cc1C ZINC001034947217 1273253337 /nfs/dbraw/zinc/25/33/37/1273253337.db2.gz FPPIXLCGLKVRFG-QGZVFWFLSA-N 1 0 327.428 2.726 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2ccns2)cc1C ZINC001034950389 1273261883 /nfs/dbraw/zinc/26/18/83/1273261883.db2.gz ZCGCIBZKLFRXNT-OAHLLOKOSA-N 1 0 345.468 2.855 20 10 EFCDRO CN(c1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1)C1CCCCC1 ZINC000844177335 1278781798 /nfs/dbraw/zinc/78/17/98/1278781798.db2.gz JMGPFQWXTSOQGT-LZQZEXGQSA-N 1 0 327.472 2.822 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CC[C@@H](C)O2)cc1C ZINC001035055609 1273474863 /nfs/dbraw/zinc/47/48/63/1273474863.db2.gz OCWJWFSLSNHXQQ-SZVBFZGTSA-N 1 0 346.471 2.652 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@]2(C)CCOC2)cc1C ZINC001035086400 1273493179 /nfs/dbraw/zinc/49/31/79/1273493179.db2.gz NEMJJWBZZVZXKJ-XLIONFOSSA-N 1 0 346.471 2.511 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2CCC(F)(F)CC2)cc1 ZINC000844162686 1278791714 /nfs/dbraw/zinc/79/17/14/1278791714.db2.gz MDLGRYMPTWUOMD-OAHLLOKOSA-N 1 0 325.403 2.694 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H]2CCC[C@H](OC)C2)cc1C ZINC001129149650 1274010120 /nfs/dbraw/zinc/01/01/20/1274010120.db2.gz UFOABIAOCANNQO-AEFFLSMTSA-N 1 0 348.487 2.805 20 10 EFCDRO CC(C)[NH+]1CCN(c2ccc(NCc3ccc(O)c(O)c3)cn2)CC1 ZINC001169993028 1274125008 /nfs/dbraw/zinc/12/50/08/1274125008.db2.gz LZTRODVQDKOYKB-UHFFFAOYSA-N 1 0 342.443 2.635 20 10 EFCDRO Oc1ccc(CNc2ccc([C@]34CC[NH2+][C@@H]3COCC4)cc2)cc1O ZINC001169993282 1274163824 /nfs/dbraw/zinc/16/38/24/1274163824.db2.gz QYOHAVYQTCHVAJ-WOJBJXKFSA-N 1 0 340.423 2.730 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2c[nH]nc2C2CC2)cc1C ZINC001170000954 1274271047 /nfs/dbraw/zinc/27/10/47/1274271047.db2.gz LFJCAVUTHYKYHP-UHFFFAOYSA-N 1 0 342.443 2.514 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ncoc2C2CC2)cc1C ZINC001170186055 1278860770 /nfs/dbraw/zinc/86/07/70/1278860770.db2.gz CXOYZABYDPPLBL-UHFFFAOYSA-N 1 0 343.427 2.779 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)(F)F)C[C@H]2C)cc1C ZINC001035876046 1274591469 /nfs/dbraw/zinc/59/14/69/1274591469.db2.gz SMXGLROHVMDUAE-UKRRQHHQSA-N 1 0 340.414 2.985 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CSC)C[C@H]2C)cc1C ZINC001035905118 1274649971 /nfs/dbraw/zinc/64/99/71/1274649971.db2.gz DNDVSYGEAHJZBP-GDBMZVCRSA-N 1 0 336.501 2.693 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3ccoc3)C2)cc1C ZINC001090927642 1278899244 /nfs/dbraw/zinc/89/92/44/1278899244.db2.gz YPSSHGHVMDZCHK-UHFFFAOYSA-N 1 0 328.412 2.895 20 10 EFCDRO CCC[N@@H+]1CC[C@H](CNCc2c(O)cccc2Br)C1 ZINC000706854212 1275054414 /nfs/dbraw/zinc/05/44/14/1275054414.db2.gz VYUUFZGIFQDOOZ-GFCCVEGCSA-N 1 0 327.266 2.976 20 10 EFCDRO CC(C)[N@@H+]1CC[C@H](CNCc2c(O)cccc2Br)C1 ZINC000706871958 1275065904 /nfs/dbraw/zinc/06/59/04/1275065904.db2.gz TVUCETKPPIPLJS-GFCCVEGCSA-N 1 0 327.266 2.975 20 10 EFCDRO O=C1[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCCN1C1CCCCC1 ZINC000785549579 1275115295 /nfs/dbraw/zinc/11/52/95/1275115295.db2.gz VPPHJKARFJZBSP-OAHLLOKOSA-N 1 0 346.427 2.534 20 10 EFCDRO CC(C)([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCOCC1 ZINC000785606918 1275128053 /nfs/dbraw/zinc/12/80/53/1275128053.db2.gz QDTPGHMSEPMHBE-UHFFFAOYSA-N 1 0 336.451 2.957 20 10 EFCDRO CN(Cc1c(O)cccc1Br)C[C@@H]1CCC[N@H+](C)C1 ZINC000707129994 1275337401 /nfs/dbraw/zinc/33/74/01/1275337401.db2.gz XAXXROJDGQIVRL-GFCCVEGCSA-N 1 0 327.266 2.928 20 10 EFCDRO C[N@@H+]1CC[C@@]2(CCN(Cc3c(O)cccc3Br)C2)C1 ZINC000707170607 1275375071 /nfs/dbraw/zinc/37/50/71/1275375071.db2.gz BCRKZAHYMYBHFL-OAHLLOKOSA-N 1 0 325.250 2.682 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)CCC(=O)NC2CCCC2)cc1 ZINC000844399816 1278947737 /nfs/dbraw/zinc/94/77/37/1278947737.db2.gz PCXCQZTVMBYHDY-UHFFFAOYSA-N 1 0 333.476 2.512 20 10 EFCDRO CC(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001036309994 1275397238 /nfs/dbraw/zinc/39/72/38/1275397238.db2.gz VMRCXWVJBLYZDM-CZUORRHYSA-N 1 0 345.447 2.945 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1cc(F)ccc1O ZINC000786960417 1275589799 /nfs/dbraw/zinc/58/97/99/1275589799.db2.gz IJUFTJRVBQLFJU-VIFPVBQESA-N 1 0 329.418 2.847 20 10 EFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)[C@@H]1C ZINC000787420067 1275769877 /nfs/dbraw/zinc/76/98/77/1275769877.db2.gz CTLAYUPMFILMCG-ZWNOBZJWSA-N 1 0 342.233 2.847 20 10 EFCDRO C[C@@H]([NH2+]CCc1cncn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000788258252 1276109689 /nfs/dbraw/zinc/10/96/89/1276109689.db2.gz VAVJRDHPSKJERG-CQSZACIVSA-N 1 0 348.878 2.803 20 10 EFCDRO CC[N+](C)(C)Cc1ccccc1NCC(=O)c1ccc(O)c(O)c1 ZINC001170314786 1279009010 /nfs/dbraw/zinc/00/90/10/1279009010.db2.gz IIFXYZVDYKGZCE-UHFFFAOYSA-O 1 0 329.420 2.989 20 10 EFCDRO COc1cccc(O)c1C[NH2+]CCOc1ncccc1C(F)(F)F ZINC000746753046 1276240183 /nfs/dbraw/zinc/24/01/83/1276240183.db2.gz ANMBCQKDTBZXKF-UHFFFAOYSA-N 1 0 342.317 2.983 20 10 EFCDRO [NH3+][C@@H]1CCC[C@H]1NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000817888605 1276347678 /nfs/dbraw/zinc/34/76/78/1276347678.db2.gz MZJCULLJRUEHOJ-HZPDHXFCSA-N 1 0 343.393 2.511 20 10 EFCDRO C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817893122 1276362904 /nfs/dbraw/zinc/36/29/04/1276362904.db2.gz FCDNWFBJKRTKKC-JXFKEZNVSA-N 1 0 331.504 2.516 20 10 EFCDRO C[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000817899342 1276366105 /nfs/dbraw/zinc/36/61/05/1276366105.db2.gz LGTFGNCGIQXQDH-JKIFEVAISA-N 1 0 339.430 2.987 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N(C)[C@@H](C[NH3+])C3CC3)c2C)cc1 ZINC000818003769 1276410660 /nfs/dbraw/zinc/41/06/60/1276410660.db2.gz DVUVNMCSQNXROA-IBGZPJMESA-N 1 0 341.455 2.912 20 10 EFCDRO C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817936312 1276382122 /nfs/dbraw/zinc/38/21/22/1276382122.db2.gz NWEXOQIQSMIUTE-LLVKDONJSA-N 1 0 332.275 2.645 20 10 EFCDRO COC(=O)c1csc([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817943267 1276389354 /nfs/dbraw/zinc/38/93/54/1276389354.db2.gz SZFIGBJEZXBQAR-LRDDRELGSA-N 1 0 347.484 2.951 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817944147 1276390501 /nfs/dbraw/zinc/39/05/01/1276390501.db2.gz XTPXEZXUBKYMRJ-PXAZEXFGSA-N 1 0 343.431 2.594 20 10 EFCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817944149 1276390900 /nfs/dbraw/zinc/39/09/00/1276390900.db2.gz XTPXEZXUBKYMRJ-SJCJKPOMSA-N 1 0 343.431 2.594 20 10 EFCDRO Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CCc1ccc(N)cc1 ZINC000817955700 1276396967 /nfs/dbraw/zinc/39/69/67/1276396967.db2.gz FQSKBRMOKXYEGH-OAQYLSRUSA-N 1 0 339.483 2.783 20 10 EFCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000817955844 1276397193 /nfs/dbraw/zinc/39/71/93/1276397193.db2.gz JDBJCICQFUGWTJ-ZDUSSCGKSA-N 1 0 333.457 2.534 20 10 EFCDRO CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1cc(Br)ccc1O ZINC000817976716 1276417362 /nfs/dbraw/zinc/41/73/62/1276417362.db2.gz SCOVDSTWQIXNBK-GMXVVIOVSA-N 1 0 331.229 2.895 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)ccc1N1CCCCC1 ZINC000788971601 1276420645 /nfs/dbraw/zinc/42/06/45/1276420645.db2.gz PFIDCFSTXBYZME-GDBMZVCRSA-N 1 0 333.432 2.836 20 10 EFCDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000788973275 1276421466 /nfs/dbraw/zinc/42/14/66/1276421466.db2.gz QQWHCCMMHFRFQZ-CQSZACIVSA-N 1 0 348.447 2.542 20 10 EFCDRO COc1ccc(C[C@@H](C)[NH2+]CCc2ccc(O)c(O)c2)c([N+](=O)[O-])c1 ZINC001170309946 1279031744 /nfs/dbraw/zinc/03/17/44/1279031744.db2.gz UIFFMLQZRAYGMY-GFCCVEGCSA-N 1 0 346.383 2.778 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000817993338 1276433629 /nfs/dbraw/zinc/43/36/29/1276433629.db2.gz GFZGIIQUTTZDGH-OAQYLSRUSA-N 1 0 337.467 2.642 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnc([C@@H](C)O)s3)C2)cc1 ZINC000818219694 1276493204 /nfs/dbraw/zinc/49/32/04/1276493204.db2.gz CRLKHXDOKKZKNZ-ZIAGYGMSSA-N 1 0 347.484 2.821 20 10 EFCDRO Oc1ccc([C@H](O)C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)cc1O ZINC001170892899 1276497047 /nfs/dbraw/zinc/49/70/47/1276497047.db2.gz JZIYXESDEXAQEC-FZKQIMNGSA-N 1 0 333.815 2.932 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)C3(OC)CCOCC3)C2)cc1 ZINC000818341645 1276510097 /nfs/dbraw/zinc/51/00/97/1276510097.db2.gz CKKBCBNIVZTDHD-DLBZAZTESA-N 1 0 348.487 2.695 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cc(C)nn3C)C2)cc1 ZINC000818343203 1276510163 /nfs/dbraw/zinc/51/01/63/1276510163.db2.gz ZHGOJSMISFBCTQ-HOTGVXAUSA-N 1 0 328.460 2.914 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCc4nn(C)cc43)C2)cc1 ZINC000818343206 1276511737 /nfs/dbraw/zinc/51/17/37/1276511737.db2.gz ZHLGINKFKBOFTP-BEFAXECRSA-N 1 0 340.471 2.922 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](c3nccn3C)C3CC3)C2)cc1 ZINC000818342852 1276511750 /nfs/dbraw/zinc/51/17/50/1276511750.db2.gz VXQHEOJNKPQYBG-DNVCBOLYSA-N 1 0 340.471 2.996 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](c3nccn3C)C3CC3)C2)cc1 ZINC000818342855 1276511849 /nfs/dbraw/zinc/51/18/49/1276511849.db2.gz VXQHEOJNKPQYBG-KXBFYZLASA-N 1 0 340.471 2.996 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)Cc1ccccc1 ZINC000818963832 1276552494 /nfs/dbraw/zinc/55/24/94/1276552494.db2.gz BQGFOLIZXLXGPD-HXUWFJFHSA-N 1 0 342.508 2.933 20 10 EFCDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000818941973 1276553728 /nfs/dbraw/zinc/55/37/28/1276553728.db2.gz VFLVHNPURGIDRU-LJQANCHMSA-N 1 0 328.456 2.899 20 10 EFCDRO CN(c1ccc(C[NH2+]C[C@@H](O)Cn2cccn2)cc1)C1CCCCC1 ZINC000818981459 1276562175 /nfs/dbraw/zinc/56/21/75/1276562175.db2.gz UMCIZIYXSXMOJU-HXUWFJFHSA-N 1 0 342.487 2.803 20 10 EFCDRO CN(c1ccc(C[NH2+]C[C@H](O)Cn2cccn2)cc1)C1CCCCC1 ZINC000818981458 1276562350 /nfs/dbraw/zinc/56/23/50/1276562350.db2.gz UMCIZIYXSXMOJU-FQEVSTJZSA-N 1 0 342.487 2.803 20 10 EFCDRO Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000818985289 1276563532 /nfs/dbraw/zinc/56/35/32/1276563532.db2.gz QWSCHQBYDATXCW-IBGZPJMESA-N 1 0 340.467 2.907 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)COCc2cccs2)cc1F ZINC000818985252 1276563716 /nfs/dbraw/zinc/56/37/16/1276563716.db2.gz PUELWGADQRGVBL-AWEZNQCLSA-N 1 0 338.448 2.621 20 10 EFCDRO CCOc1ccc(OC[C@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000818997285 1276567015 /nfs/dbraw/zinc/56/70/15/1276567015.db2.gz XBDGDEWALOUWDU-QGZVFWFLSA-N 1 0 343.423 2.550 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)COCc1cccs1 ZINC000819094170 1276603929 /nfs/dbraw/zinc/60/39/29/1276603929.db2.gz ARETYVPAFOJFMR-GOSISDBHSA-N 1 0 344.480 2.792 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)Cc1ccc(F)cc1 ZINC000819094155 1276604012 /nfs/dbraw/zinc/60/40/12/1276604012.db2.gz AHOARJBYUZYKTR-HXUWFJFHSA-N 1 0 326.415 2.895 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)c3ccccc3)C2)cc1 ZINC000819379371 1276763545 /nfs/dbraw/zinc/76/35/45/1276763545.db2.gz GLYAQVZSBVVZPJ-OXJNMPFZSA-N 1 0 326.440 2.845 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)c3ccccc3F)C2)cc1 ZINC000819379748 1276764125 /nfs/dbraw/zinc/76/41/25/1276764125.db2.gz KXAGQAQQJBCRLE-FOIQADDNSA-N 1 0 344.430 2.984 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)c3ccc(F)cc3)C2)cc1 ZINC000819379320 1276764196 /nfs/dbraw/zinc/76/41/96/1276764196.db2.gz FOWPONAGXOREGQ-YWZLYKJASA-N 1 0 344.430 2.984 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ccc4oc(=O)[nH]c4c3)cc2)CC1 ZINC000789563238 1276850705 /nfs/dbraw/zinc/85/07/05/1276850705.db2.gz OUJZRIGKMWVJCY-UHFFFAOYSA-N 1 0 338.411 2.897 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@@H]1C1CCOCC1)[C@H](O)CO2 ZINC000819902064 1276941314 /nfs/dbraw/zinc/94/13/14/1276941314.db2.gz MQLRRISYBNGKQA-MJGOQNOKSA-N 1 0 345.439 2.599 20 10 EFCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c1 ZINC000790462153 1277546249 /nfs/dbraw/zinc/54/62/49/1277546249.db2.gz UZLUUVKUEABLHM-HNNXBMFYSA-N 1 0 332.444 2.592 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](N4CCCC4=O)C3)c2c1 ZINC000790455468 1277572157 /nfs/dbraw/zinc/57/21/57/1277572157.db2.gz DBTVIQZNKHDCKP-OAHLLOKOSA-N 1 0 340.423 2.751 20 10 EFCDRO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2c(O)ccc3ccncc32)cn1 ZINC000790469286 1277579940 /nfs/dbraw/zinc/57/99/40/1277579940.db2.gz ATGMEVVUGWAEEZ-KRWDZBQOSA-N 1 0 340.452 2.964 20 10 EFCDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000790486253 1277596705 /nfs/dbraw/zinc/59/67/05/1277596705.db2.gz SWOMOMJTLZKGTI-IBGZPJMESA-N 1 0 331.504 2.733 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000790538974 1277611916 /nfs/dbraw/zinc/61/19/16/1277611916.db2.gz MHUFRYBZTWNZCY-DYVFJYSZSA-N 1 0 349.475 2.881 20 10 EFCDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000790570248 1277653316 /nfs/dbraw/zinc/65/33/16/1277653316.db2.gz KQBKBHKCXPBOKG-ZFWWWQNUSA-N 1 0 326.396 2.663 20 10 EFCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000790763214 1277746369 /nfs/dbraw/zinc/74/63/69/1277746369.db2.gz WJPYUANQHZSOJU-ZBFHGGJFSA-N 1 0 332.444 2.595 20 10 EFCDRO CCOCCOC[C@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000790761198 1277746534 /nfs/dbraw/zinc/74/65/34/1277746534.db2.gz SCXPXIRKDBOWQD-GDBMZVCRSA-N 1 0 333.428 2.610 20 10 EFCDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000790934278 1277853654 /nfs/dbraw/zinc/85/36/54/1277853654.db2.gz JRDRAWFREORANH-DOTOQJQBSA-N 1 0 336.451 2.788 20 10 EFCDRO Cc1cc(C[NH+]2CCN(c3ccc(F)cn3)CC2)ccc1N(C)C ZINC000815085029 1287307439 /nfs/dbraw/zinc/30/74/39/1287307439.db2.gz IEWWQOCZPSTLRK-UHFFFAOYSA-N 1 0 328.435 2.917 20 10 EFCDRO COC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CCCC1 ZINC000790956518 1277878154 /nfs/dbraw/zinc/87/81/54/1277878154.db2.gz RWLIKWWATZOJDI-UHFFFAOYSA-N 1 0 336.451 2.836 20 10 EFCDRO CCN(C)c1ccc(C[N@@H+]2[C@@H]3C[C@H](C(=O)OC)O[C@H]3CC[C@H]2C)cc1 ZINC000815112414 1287310704 /nfs/dbraw/zinc/31/07/04/1287310704.db2.gz QCXNMPKLGIAIHW-DQEVTTJGSA-N 1 0 346.471 2.826 20 10 EFCDRO CN1CCCc2cc(CNC(=O)N3CCC(C[NH+](C)C)CC3)ccc21 ZINC000746982662 1277957527 /nfs/dbraw/zinc/95/75/27/1277957527.db2.gz ILXZSXVZOHADEV-UHFFFAOYSA-N 1 0 344.503 2.552 20 10 EFCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(N(C)C)c(C)c3)[C@H]2C1 ZINC000815119654 1287313852 /nfs/dbraw/zinc/31/38/52/1287313852.db2.gz CHOXQAFQSGUUQD-FHWLQOOXSA-N 1 0 329.488 2.798 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3cnn(C)c3Cl)CC2)cc1 ZINC000815122091 1287315459 /nfs/dbraw/zinc/31/54/59/1287315459.db2.gz RDKAQIFBIOJTKO-UHFFFAOYSA-N 1 0 334.851 2.841 20 10 EFCDRO Cc1cc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)ccc1N(C)C ZINC000815104362 1287326025 /nfs/dbraw/zinc/32/60/25/1287326025.db2.gz IUBKNXZUEDEVLH-GOSISDBHSA-N 1 0 344.503 2.639 20 10 EFCDRO COc1ccc(CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(O)c1 ZINC000792797667 1279159760 /nfs/dbraw/zinc/15/97/60/1279159760.db2.gz ZIYNHAIEMXVQIG-HNNXBMFYSA-N 1 0 349.456 2.564 20 10 EFCDRO Cc1cc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)ccc1N(C)C ZINC000815110911 1287329375 /nfs/dbraw/zinc/32/93/75/1287329375.db2.gz ZZAFUTJFHMEPPZ-IBGZPJMESA-N 1 0 331.504 2.605 20 10 EFCDRO COc1ccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c(O)c1 ZINC000792779966 1279172748 /nfs/dbraw/zinc/17/27/48/1279172748.db2.gz LXOGCMUOAUFNSA-KRWDZBQOSA-N 1 0 343.427 2.503 20 10 EFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000792861285 1279198268 /nfs/dbraw/zinc/19/82/68/1279198268.db2.gz AJLARNYJHXXZEN-KRWDZBQOSA-N 1 0 338.517 2.788 20 10 EFCDRO NC(=O)C[C@H]([NH2+]Cc1cc(Br)ccc1O)c1ccccc1 ZINC000815155819 1287333707 /nfs/dbraw/zinc/33/37/07/1287333707.db2.gz XYSCRAISRMNLPP-AWEZNQCLSA-N 1 0 349.228 2.861 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NCC[N@H+]2CC=CCC2)cc1 ZINC000792884521 1279235010 /nfs/dbraw/zinc/23/50/10/1279235010.db2.gz UYQCJJAGYODTGP-UHFFFAOYSA-N 1 0 330.476 2.594 20 10 EFCDRO COc1ccc(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c(O)c1 ZINC000792896205 1279248812 /nfs/dbraw/zinc/24/88/12/1279248812.db2.gz AUVQDVYIVVWAIR-IFXJQAMLSA-N 1 0 349.475 2.711 20 10 EFCDRO COc1ccc(CNC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(O)c1 ZINC000792914429 1279272139 /nfs/dbraw/zinc/27/21/39/1279272139.db2.gz RXEAEMYBHHJWLT-SOUVJXGZSA-N 1 0 349.475 2.566 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CC(=O)NC2CCCC2)c(C(F)(F)F)c1 ZINC000792960604 1279306303 /nfs/dbraw/zinc/30/63/03/1279306303.db2.gz OILVNSGGXLQKRE-UHFFFAOYSA-N 1 0 343.393 2.920 20 10 EFCDRO C[C@H](CNC(=O)NCc1cc(Cl)ccc1O)[N@@H+]1CCC[C@@H](C)C1 ZINC000844879927 1279312881 /nfs/dbraw/zinc/31/28/81/1279312881.db2.gz NPCIOVZGQHVNTM-CHWSQXEVSA-N 1 0 339.867 2.965 20 10 EFCDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792992992 1279318434 /nfs/dbraw/zinc/31/84/34/1279318434.db2.gz QYDGEEVPZNRYGV-HZMBPMFUSA-N 1 0 336.423 2.973 20 10 EFCDRO CC1CC[NH+](CCNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000844878490 1279330696 /nfs/dbraw/zinc/33/06/96/1279330696.db2.gz BNVMYBGDTLPOCE-UHFFFAOYSA-N 1 0 325.840 2.577 20 10 EFCDRO C[C@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H](C(N)=O)C1 ZINC000793091758 1279366314 /nfs/dbraw/zinc/36/63/14/1279366314.db2.gz FQVDXDZKRSIVMY-NHYWBVRUSA-N 1 0 343.393 2.857 20 10 EFCDRO COC(=O)C1(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000793100510 1279376755 /nfs/dbraw/zinc/37/67/55/1279376755.db2.gz XYDBPWDOVPXNTH-UHFFFAOYSA-N 1 0 330.350 2.814 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)cc1 ZINC000815140773 1287343650 /nfs/dbraw/zinc/34/36/50/1287343650.db2.gz IXAIBKFFMNRBHL-HXUWFJFHSA-N 1 0 337.467 2.686 20 10 EFCDRO CC[NH+]1CCC(CCNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000845017279 1279396391 /nfs/dbraw/zinc/39/63/91/1279396391.db2.gz TXIPDCVRIPKTAE-UHFFFAOYSA-N 1 0 339.867 2.967 20 10 EFCDRO COC1(CO)CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000793188078 1279434685 /nfs/dbraw/zinc/43/46/85/1279434685.db2.gz LRDJVZCWNOJVGS-UHFFFAOYSA-N 1 0 346.393 2.745 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)c(O)c1 ZINC000793389018 1279614132 /nfs/dbraw/zinc/61/41/32/1279614132.db2.gz SQFSLBBHXOTDJL-UHFFFAOYSA-N 1 0 344.802 2.925 20 10 EFCDRO CCOC(=O)[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)C[C@H]2CCCC[C@@H]12 ZINC001144504044 1279748176 /nfs/dbraw/zinc/74/81/76/1279748176.db2.gz JMTAVCOMACDZOZ-YUELXQCFSA-N 1 0 349.427 2.605 20 10 EFCDRO Oc1cc(O)c(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)c(O)c1 ZINC001144508107 1279753131 /nfs/dbraw/zinc/75/31/31/1279753131.db2.gz IICFKBGRKGGFOW-FRIZHTMISA-N 1 0 333.428 2.831 20 10 EFCDRO C[C@H](O)CN1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)[C@H](C)C1 ZINC000793589821 1279758990 /nfs/dbraw/zinc/75/89/90/1279758990.db2.gz MMUOLGOWOGAOLX-SJORKVTESA-N 1 0 340.467 2.946 20 10 EFCDRO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509190 1279768872 /nfs/dbraw/zinc/76/88/72/1279768872.db2.gz OLSROJTWKPUSML-CQSZACIVSA-N 1 0 345.395 2.855 20 10 EFCDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1c(O)cccc1OC ZINC000793610055 1279772144 /nfs/dbraw/zinc/77/21/44/1279772144.db2.gz OCTZFDHSRSGAKU-GDBMZVCRSA-N 1 0 343.423 2.911 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](OCc3ccccc3)C2)c(O)c1 ZINC001144514576 1279774157 /nfs/dbraw/zinc/77/41/57/1279774157.db2.gz LAYGMTUKRRVPPC-MRXNPFEDSA-N 1 0 329.396 2.985 20 10 EFCDRO Cc1cccc(OC2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)n1 ZINC001144516241 1279778960 /nfs/dbraw/zinc/77/89/60/1279778960.db2.gz UWAZZDFWRKBZPF-UHFFFAOYSA-N 1 0 330.384 2.550 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)c(O)c1 ZINC001144516399 1279779100 /nfs/dbraw/zinc/77/91/00/1279779100.db2.gz XQBZRLIXZHKYPU-UHFFFAOYSA-N 1 0 332.375 2.655 20 10 EFCDRO COc1cccc(C[N@@H+]2CCN(C)[C@H](Cc3ccccc3)C2)c1O ZINC000793621571 1279780335 /nfs/dbraw/zinc/78/03/35/1279780335.db2.gz YRONWZFHPIYJAP-GOSISDBHSA-N 1 0 326.440 2.760 20 10 EFCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c4c(ccc3O)oc3c4CCCC3)C[C@@H]21 ZINC000793643129 1279787727 /nfs/dbraw/zinc/78/77/27/1279787727.db2.gz LYHSXXKCPOVSLD-WURKVNMJSA-N 1 0 341.407 2.868 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cnn(CC(F)F)c2)cc1 ZINC000846051508 1280001624 /nfs/dbraw/zinc/00/16/24/1280001624.db2.gz IOBHLXPGIOAYAN-UHFFFAOYSA-N 1 0 338.402 2.725 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cc(OC)ccc2O)cc1 ZINC000846051153 1280003594 /nfs/dbraw/zinc/00/35/94/1280003594.db2.gz CSODRAHBAGQVBD-UHFFFAOYSA-N 1 0 330.428 2.978 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cnc(C3CC3)nc2)cc1 ZINC000846053228 1280004196 /nfs/dbraw/zinc/00/41/96/1280004196.db2.gz XCSLFNJGJXLEKO-UHFFFAOYSA-N 1 0 326.444 2.931 20 10 EFCDRO CCN1C[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1=O ZINC000846090961 1280012870 /nfs/dbraw/zinc/01/28/70/1280012870.db2.gz GRYJFRQYIOMKHG-GFCCVEGCSA-N 1 0 343.393 2.729 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CC[C@]2(O)CCCOC2)c(C(F)(F)F)c1 ZINC000846106623 1280036049 /nfs/dbraw/zinc/03/60/49/1280036049.db2.gz GWOBWKZFIDLQBJ-MRXNPFEDSA-N 1 0 346.393 2.793 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2=O)c1O ZINC000846148514 1280037748 /nfs/dbraw/zinc/03/77/48/1280037748.db2.gz FUCJOIDZZOAKNN-XJKSGUPXSA-N 1 0 326.396 2.857 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)c1O ZINC000846150217 1280038122 /nfs/dbraw/zinc/03/81/22/1280038122.db2.gz BRRYRRITJYWADB-SWLSCSKDSA-N 1 0 344.386 2.996 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c1O ZINC000846150541 1280038407 /nfs/dbraw/zinc/03/84/07/1280038407.db2.gz RGGDBIVTJHUBCP-DZGCQCFKSA-N 1 0 332.444 2.843 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1O ZINC000846156275 1280040595 /nfs/dbraw/zinc/04/05/95/1280040595.db2.gz DBIVPFGCMSSSQA-LXZKKBNFSA-N 1 0 331.412 2.536 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c1O ZINC000846156996 1280040806 /nfs/dbraw/zinc/04/08/06/1280040806.db2.gz RCVIWBZQDBTMGY-CMPLNLGQSA-N 1 0 346.349 2.605 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]CCOCC(F)(F)C(F)F)c1O ZINC000846165086 1280044005 /nfs/dbraw/zinc/04/40/05/1280044005.db2.gz KPDUUHBOEXTHIX-SECBINFHSA-N 1 0 325.302 2.968 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)c1O ZINC000846171821 1280047035 /nfs/dbraw/zinc/04/70/35/1280047035.db2.gz IBRCALDOMUASIU-BLLLJJGKSA-N 1 0 344.386 2.996 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1O ZINC000846173934 1280048870 /nfs/dbraw/zinc/04/88/70/1280048870.db2.gz UUJLLBXQSXXBPY-HUUCEWRRSA-N 1 0 347.459 2.732 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc(F)c2)c1O ZINC000846141912 1280049795 /nfs/dbraw/zinc/04/97/95/1280049795.db2.gz BPMBPYYERWQFHN-TZMCWYRMSA-N 1 0 335.375 2.630 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)c1O ZINC000846139578 1280049823 /nfs/dbraw/zinc/04/98/23/1280049823.db2.gz WJFZKYYFWLGGIW-ZDUSSCGKSA-N 1 0 330.432 2.612 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)c1O ZINC000846138273 1280049837 /nfs/dbraw/zinc/04/98/37/1280049837.db2.gz JGDLQJGSGHOBKP-AWEZNQCLSA-N 1 0 338.411 2.891 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1O ZINC000846136113 1280050024 /nfs/dbraw/zinc/05/00/24/1280050024.db2.gz IOYNUENTBLRDOK-KFWWJZLASA-N 1 0 336.476 2.939 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2F)c1O ZINC000846144174 1280051617 /nfs/dbraw/zinc/05/16/17/1280051617.db2.gz LGUPMZVNPLTNGI-GFCCVEGCSA-N 1 0 332.375 2.621 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c1O ZINC000846144253 1280051767 /nfs/dbraw/zinc/05/17/67/1280051767.db2.gz IMIPPAPLLQKKAE-OAHLLOKOSA-N 1 0 334.460 2.696 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000846145387 1280051804 /nfs/dbraw/zinc/05/18/04/1280051804.db2.gz ALDPAFLIVJUUNX-WMLDXEAASA-N 1 0 340.423 2.853 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000846144869 1280052088 /nfs/dbraw/zinc/05/20/88/1280052088.db2.gz MNABWNWAYJBJQK-UHFFFAOYSA-N 1 0 344.434 2.658 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(OCCO)c(OC)c2)c1O ZINC000846144882 1280052475 /nfs/dbraw/zinc/05/24/75/1280052475.db2.gz NVYJJIWRZFPYLR-CYBMUJFWSA-N 1 0 347.411 2.631 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)c1O ZINC000846146997 1280053379 /nfs/dbraw/zinc/05/33/79/1280053379.db2.gz ULRVHJNTGLUERK-ZDUSSCGKSA-N 1 0 335.425 2.525 20 10 EFCDRO CCN1C[C@@H](C[NH2+][C@H](C)c2ccc(Br)cc2O)CC1=O ZINC000846210523 1280053983 /nfs/dbraw/zinc/05/39/83/1280053983.db2.gz YYMISGOLJIACLT-GHMZBOCLSA-N 1 0 341.249 2.674 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCN2CCCC2=O)c1O ZINC000846205129 1280070861 /nfs/dbraw/zinc/07/08/61/1280070861.db2.gz FCDWGZPLWCQGML-NSHDSACASA-N 1 0 341.249 2.736 20 10 EFCDRO C[C@H]1C[C@H]([NH2+]Cc2cc(=O)n3ccccc3n2)c2c1c(F)ccc2O ZINC000846212713 1280084847 /nfs/dbraw/zinc/08/48/47/1280084847.db2.gz FNFBWBNXLLLFFW-FZMZJTMJSA-N 1 0 339.370 2.877 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)Cc2cccc(F)c2)cc1C ZINC001175386385 1287415778 /nfs/dbraw/zinc/41/57/78/1287415778.db2.gz TTYIQYMJLSGBGA-UHFFFAOYSA-N 1 0 344.430 2.981 20 10 EFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC(CC[NH3+])CC3)cs2)cc1 ZINC000846695029 1280424368 /nfs/dbraw/zinc/42/43/68/1280424368.db2.gz GJDMPNPRKRWYOC-UHFFFAOYSA-N 1 0 344.484 2.517 20 10 EFCDRO COc1ccc(N(C)CCN(C)C(=O)c2ccc3c(c2)C[NH2+]C3)cc1 ZINC000846697106 1280427948 /nfs/dbraw/zinc/42/79/48/1280427948.db2.gz KMFLJGNJOONPTE-UHFFFAOYSA-N 1 0 339.439 2.507 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H](C)c2ccncc2)cc1C ZINC001130195578 1280564576 /nfs/dbraw/zinc/56/45/76/1280564576.db2.gz VZLPUIZPGZQTIK-HNNXBMFYSA-N 1 0 341.455 2.798 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C(C)(C)C(C)(F)F)cc1C ZINC001149216875 1280802940 /nfs/dbraw/zinc/80/29/40/1280802940.db2.gz GCUUQSCCKIHZKW-UHFFFAOYSA-N 1 0 328.403 2.891 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000806135424 1280977517 /nfs/dbraw/zinc/97/75/17/1280977517.db2.gz SUFKYYZIYQSSSB-PMACEKPBSA-N 1 0 329.488 2.595 20 10 EFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CC3)cc2)C1 ZINC000806130814 1280986429 /nfs/dbraw/zinc/98/64/29/1280986429.db2.gz DLOZGERSCUSIJG-BHIYHBOVSA-N 1 0 327.472 2.667 20 10 EFCDRO O=C(CCCc1ccccc1)NCC[NH2+]Cc1cc(F)ccc1O ZINC000822497917 1289016318 /nfs/dbraw/zinc/01/63/18/1289016318.db2.gz OGIFVMOIVVFYIF-UHFFFAOYSA-N 1 0 330.403 2.760 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)Cc2csc(C)n2)cc1C ZINC001175528991 1287468556 /nfs/dbraw/zinc/46/85/56/1287468556.db2.gz ULUGXANEMKVDMD-UHFFFAOYSA-N 1 0 347.484 2.607 20 10 EFCDRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000806663739 1281129089 /nfs/dbraw/zinc/12/90/89/1281129089.db2.gz SJVNGQJXLYWGLW-WBMJQRKESA-N 1 0 336.501 2.789 20 10 EFCDRO COCc1cccc(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001130947249 1281318971 /nfs/dbraw/zinc/31/89/71/1281318971.db2.gz LXTPIMZJWUHXOD-UHFFFAOYSA-N 1 0 342.439 2.670 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(Cl)cn2)cc1C ZINC001148504937 1281603048 /nfs/dbraw/zinc/60/30/48/1281603048.db2.gz OWXVHDCTXSGRPV-UHFFFAOYSA-N 1 0 333.819 2.572 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)Cc2cc(C)ccc2F)cc1C ZINC001148537270 1281610823 /nfs/dbraw/zinc/61/08/23/1281610823.db2.gz ZANSLNSFQQYABT-UHFFFAOYSA-N 1 0 344.430 2.900 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc(C(C)(C)C)on2)cc1C ZINC001131206380 1281626277 /nfs/dbraw/zinc/62/62/77/1281626277.db2.gz XBLLWHPKKABGBV-UHFFFAOYSA-N 1 0 345.443 2.809 20 10 EFCDRO Oc1ccc([C@H](O)C[NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)cc1O ZINC001171334500 1281645191 /nfs/dbraw/zinc/64/51/91/1281645191.db2.gz SQAVVBUBMANYNU-FZKQIMNGSA-N 1 0 335.350 2.557 20 10 EFCDRO COc1cccc(O)c1C[NH2+]CCCn1cc(Br)cn1 ZINC000808436861 1281711104 /nfs/dbraw/zinc/71/11/04/1281711104.db2.gz SEHFLFQHBUMHHD-UHFFFAOYSA-N 1 0 340.221 2.540 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)c1 ZINC000808448070 1281714731 /nfs/dbraw/zinc/71/47/31/1281714731.db2.gz WWKLJQDOAXCKCQ-FHLIZLRMSA-N 1 0 332.444 2.528 20 10 EFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCCCC[C@@H]3[NH3+])C2)cc1 ZINC000872301047 1287529298 /nfs/dbraw/zinc/52/92/98/1287529298.db2.gz NXTXWFNPPUWXQM-LZQZEXGQSA-N 1 0 345.487 2.545 20 10 EFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)c1O ZINC000808710309 1281867592 /nfs/dbraw/zinc/86/75/92/1281867592.db2.gz OYZNNMCEJBOHNS-NJZAAPMLSA-N 1 0 340.851 2.640 20 10 EFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c1O ZINC000808717333 1281870922 /nfs/dbraw/zinc/87/09/22/1281870922.db2.gz CEDABUQNLBMMHJ-NSHDSACASA-N 1 0 331.865 2.972 20 10 EFCDRO CCNC(=O)C[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809550122 1282302523 /nfs/dbraw/zinc/30/25/23/1282302523.db2.gz PPZMJGQBGSQTHP-UHFFFAOYSA-N 1 0 337.467 2.817 20 10 EFCDRO CN(C)Cc1cnc(CN(C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000809639283 1282355669 /nfs/dbraw/zinc/35/56/69/1282355669.db2.gz JYVRGTWCFGVMEO-UHFFFAOYSA-N 1 0 348.516 2.782 20 10 EFCDRO C[C@H](O)c1ncc(CN(C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000809640333 1282355736 /nfs/dbraw/zinc/35/57/36/1282355736.db2.gz WNLFDVYDULHRES-ZDUSSCGKSA-N 1 0 335.473 2.773 20 10 EFCDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000809691471 1282377130 /nfs/dbraw/zinc/37/71/30/1282377130.db2.gz NKIONCBQTSIKIJ-OAHLLOKOSA-N 1 0 337.439 2.992 20 10 EFCDRO CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccccc1O ZINC000809701385 1282388542 /nfs/dbraw/zinc/38/85/42/1282388542.db2.gz FGZPCZTXVSMECK-KBMXLJTQSA-N 1 0 340.489 2.541 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)cc1F ZINC000809700797 1282389989 /nfs/dbraw/zinc/38/99/89/1282389989.db2.gz OIEQXZFWDUGTHX-SJLPKXTDSA-N 1 0 349.494 2.967 20 10 EFCDRO C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c([O-])ccc(Cl)c1F ZINC000809727014 1282409128 /nfs/dbraw/zinc/40/91/28/1282409128.db2.gz CBGSBEJTBSZKRD-UHFFFAOYSA-N 1 0 345.890 2.890 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@H](C)[C@@H](O)c2ccc(C)cc2)cc1OC ZINC000809701866 1282414059 /nfs/dbraw/zinc/41/40/59/1282414059.db2.gz NCAFJRCOEAWTKX-BFUOFWGJSA-N 1 0 331.412 2.930 20 10 EFCDRO [NH3+]CCN(C/C=C/c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000809734963 1282415075 /nfs/dbraw/zinc/41/50/75/1282415075.db2.gz OWIKXSRTAFUTLW-HWKANZROSA-N 1 0 342.355 2.982 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)N(C)C)c(O)c1 ZINC000809709134 1282420064 /nfs/dbraw/zinc/42/00/64/1282420064.db2.gz NIRXZNHZKHVUOD-HNNXBMFYSA-N 1 0 336.432 2.844 20 10 EFCDRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000809739652 1282439130 /nfs/dbraw/zinc/43/91/30/1282439130.db2.gz AKPYNAOXDFPHPD-STQMWFEESA-N 1 0 343.370 2.858 20 10 EFCDRO Cc1cccc(CN(CC[NH+](C)C)Cc2cc3c(cc2O)OCO3)c1 ZINC000809741628 1282440902 /nfs/dbraw/zinc/44/09/02/1282440902.db2.gz QKWVUYCEYCPEQE-UHFFFAOYSA-N 1 0 342.439 2.993 20 10 EFCDRO C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@@H](O)C1CC1 ZINC000809750916 1282455104 /nfs/dbraw/zinc/45/51/04/1282455104.db2.gz BRNOSEXIRFJUOL-GOSISDBHSA-N 1 0 333.432 2.788 20 10 EFCDRO C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@H](O)C1CC1 ZINC000809750917 1282455589 /nfs/dbraw/zinc/45/55/89/1282455589.db2.gz BRNOSEXIRFJUOL-SFHVURJKSA-N 1 0 333.432 2.788 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CCC(CO)CC1 ZINC000809765923 1282464261 /nfs/dbraw/zinc/46/42/61/1282464261.db2.gz SGQWYILWLMBZKH-UHFFFAOYSA-N 1 0 336.451 2.645 20 10 EFCDRO CCO[C@H](C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1)C1CCCC1 ZINC001131893205 1282512653 /nfs/dbraw/zinc/51/26/53/1282512653.db2.gz BUPHPHYEQRWXAD-IBGZPJMESA-N 1 0 348.487 2.805 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC3(C)C)cc2F)CC1 ZINC000747583518 1282682018 /nfs/dbraw/zinc/68/20/18/1282682018.db2.gz XVJHHHNWBQNMDK-UHFFFAOYSA-N 1 0 348.466 2.662 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc(F)ccc2C)cc1C ZINC001132019999 1282768635 /nfs/dbraw/zinc/76/86/35/1282768635.db2.gz HUSZLYPPGYNXDU-UHFFFAOYSA-N 1 0 330.403 2.971 20 10 EFCDRO C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815577440 1287609108 /nfs/dbraw/zinc/60/91/08/1287609108.db2.gz QCSYGUDBPWTWCI-CHWSQXEVSA-N 1 0 345.409 2.698 20 10 EFCDRO CCOCc1cc(C[NH2+]Cc2ccc(CC(N)=O)cc2)ccc1OC ZINC000810158745 1282988445 /nfs/dbraw/zinc/98/84/45/1282988445.db2.gz SRZCTUCUOZXEDH-UHFFFAOYSA-N 1 0 342.439 2.549 20 10 EFCDRO CCOCc1cc(C[NH2+]Cc2ccc(OC)nc2OC)ccc1OC ZINC000810177802 1283008453 /nfs/dbraw/zinc/00/84/53/1283008453.db2.gz WUQIPHOYKNNZSY-UHFFFAOYSA-N 1 0 346.427 2.934 20 10 EFCDRO CC[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(C(F)(F)F)cc1O ZINC000810220270 1283048236 /nfs/dbraw/zinc/04/82/36/1283048236.db2.gz TUJBZOYAKKYGDA-HIFRSBDPSA-N 1 0 343.349 2.919 20 10 EFCDRO CC[C@H]([NH2+]CC(=O)NCC(F)F)c1ccc(C(F)(F)F)cc1O ZINC000810238450 1283091571 /nfs/dbraw/zinc/09/15/71/1283091571.db2.gz PYGJQACMEYENDU-JTQLQIEISA-N 1 0 340.292 2.833 20 10 EFCDRO CS(=O)(=O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815571077 1287627245 /nfs/dbraw/zinc/62/72/45/1287627245.db2.gz UBWYMXBCNVJELA-KRWDZBQOSA-N 1 0 333.453 2.700 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2cnco2)cc1C ZINC001135117987 1287631968 /nfs/dbraw/zinc/63/19/68/1287631968.db2.gz FXEKWWRSYDWNKO-UONOGXRCSA-N 1 0 331.416 2.678 20 10 EFCDRO C[C@@H]1C[N@H+](CC2CC2)C[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001093241042 1283487582 /nfs/dbraw/zinc/48/75/82/1283487582.db2.gz UVZXMOFBCCEWMQ-IUODEOHRSA-N 1 0 343.431 2.557 20 10 EFCDRO CCOc1ccc(C[N@H+](C)C2CN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000811514771 1284391969 /nfs/dbraw/zinc/39/19/69/1284391969.db2.gz FRSLSPJWPGVKIW-UHFFFAOYSA-N 1 0 336.432 2.842 20 10 EFCDRO Oc1cc2c(cc1C[NH+]1CCC3(CCSCC3)CC1)[C@@H](O)CO2 ZINC000872645980 1287715704 /nfs/dbraw/zinc/71/57/04/1287715704.db2.gz VSAAWCKPPOTDCV-INIZCTEOSA-N 1 0 335.469 2.927 20 10 EFCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1 ZINC000811786014 1284650224 /nfs/dbraw/zinc/65/02/24/1284650224.db2.gz LSTUOBNDLLDXIQ-CYBMUJFWSA-N 1 0 344.377 2.900 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)Cc2ccc(C)nc2)cc1C ZINC001176175946 1287727964 /nfs/dbraw/zinc/72/79/64/1287727964.db2.gz JPRILIOHKAECMT-UHFFFAOYSA-N 1 0 341.455 2.546 20 10 EFCDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000811929857 1284754764 /nfs/dbraw/zinc/75/47/64/1284754764.db2.gz MLUYPBBIYIIALE-MRXNPFEDSA-N 1 0 334.508 2.981 20 10 EFCDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000811930025 1284755821 /nfs/dbraw/zinc/75/58/21/1284755821.db2.gz QRLBCMLFMVNNBE-CQSZACIVSA-N 1 0 338.471 2.811 20 10 EFCDRO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000811931220 1284756651 /nfs/dbraw/zinc/75/66/51/1284756651.db2.gz AUOHJBCXZVDMPC-KBPBESRZSA-N 1 0 337.464 2.881 20 10 EFCDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000811974430 1284791066 /nfs/dbraw/zinc/79/10/66/1284791066.db2.gz RNYWAQCAPSAQJT-MRXNPFEDSA-N 1 0 334.508 2.981 20 10 EFCDRO CON(C)C(=O)C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000812292699 1285057096 /nfs/dbraw/zinc/05/70/96/1285057096.db2.gz KYNRGRGIPLGNPK-UHFFFAOYSA-N 1 0 328.412 2.777 20 10 EFCDRO C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C[NH2+]CCF ZINC001133353540 1285246179 /nfs/dbraw/zinc/24/61/79/1285246179.db2.gz DLTAMYBQRLBJHS-TZMCWYRMSA-N 1 0 349.410 2.506 20 10 EFCDRO COc1cccc(O)c1CNc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000812776274 1285409682 /nfs/dbraw/zinc/40/96/82/1285409682.db2.gz BHEPVFGOEUOIBH-INIZCTEOSA-N 1 0 328.412 2.580 20 10 EFCDRO CCOc1ccc(O)c(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1 ZINC000812778953 1285411587 /nfs/dbraw/zinc/41/15/87/1285411587.db2.gz RSQJOXLQVMLVPW-GOSISDBHSA-N 1 0 342.439 2.970 20 10 EFCDRO CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(N=NC(N)=O)cc3)CCC[C@@H]12 ZINC001094585537 1285418164 /nfs/dbraw/zinc/41/81/64/1285418164.db2.gz BYDVIJHZTIUVKO-CRAIPNDOSA-N 1 0 343.431 2.843 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCOc3ncccc3F)CC2)cc1 ZINC000812841260 1285467364 /nfs/dbraw/zinc/46/73/64/1285467364.db2.gz TXYPMWQAVZPPAS-UHFFFAOYSA-N 1 0 345.418 2.867 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3O)[C@@H]2C1 ZINC000822507882 1289018868 /nfs/dbraw/zinc/01/88/68/1289018868.db2.gz KAXDFBXWQLTLQA-IUODEOHRSA-N 1 0 336.407 2.973 20 10 EFCDRO COc1c(O)c(C[N@H+](C)C[C@@](C)(O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000822517201 1289022792 /nfs/dbraw/zinc/02/27/92/1289022792.db2.gz UZYBONHSGKBMPD-GOSISDBHSA-N 1 0 346.383 2.649 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CN1Cc1ccccc1 ZINC001171731650 1285748571 /nfs/dbraw/zinc/74/85/71/1285748571.db2.gz CTWHEAIDJKSDHU-PBHICJAKSA-N 1 0 340.423 2.533 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc3c(c(OC)c2)OCO3)c1 ZINC000813332012 1285815785 /nfs/dbraw/zinc/81/57/85/1285815785.db2.gz YXRWOMVNWDJOFQ-NSHDSACASA-N 1 0 331.368 2.989 20 10 EFCDRO O=C1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CCN1C1CC1 ZINC001172000401 1285946649 /nfs/dbraw/zinc/94/66/49/1285946649.db2.gz OXBCAXSMMVLOEE-QGZVFWFLSA-N 1 0 327.472 2.920 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172022979 1285974758 /nfs/dbraw/zinc/97/47/58/1285974758.db2.gz SCXVDWMIJKTCON-LJQANCHMSA-N 1 0 327.472 2.872 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2ccon2)cc1C ZINC001133821029 1285976946 /nfs/dbraw/zinc/97/69/46/1285976946.db2.gz MFMMDYSEDLVROS-KBPBESRZSA-N 1 0 331.416 2.678 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2ccon2)cc1C ZINC001133821032 1285978659 /nfs/dbraw/zinc/97/86/59/1285978659.db2.gz MFMMDYSEDLVROS-ZIAGYGMSSA-N 1 0 331.416 2.678 20 10 EFCDRO Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c(O)c1O ZINC000813618035 1286026279 /nfs/dbraw/zinc/02/62/79/1286026279.db2.gz HAUCFHWRRIBYPG-HNNXBMFYSA-N 1 0 332.375 2.578 20 10 EFCDRO C[NH+](C)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000813617899 1286026419 /nfs/dbraw/zinc/02/64/19/1286026419.db2.gz FECWNYMPWNSEGQ-IGKXFLDPSA-N 1 0 344.386 2.669 20 10 EFCDRO C[C@@H](NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)c1ccc(N(C)C)cc1 ZINC000813720982 1286073484 /nfs/dbraw/zinc/07/34/84/1286073484.db2.gz ZNIQYMXKKDOVDE-BEFAXECRSA-N 1 0 330.476 2.551 20 10 EFCDRO CCOCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133906669 1286089779 /nfs/dbraw/zinc/08/97/79/1286089779.db2.gz YSJLTFPAWZUAPE-CVEARBPZSA-N 1 0 336.476 2.803 20 10 EFCDRO COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC001172607198 1286200677 /nfs/dbraw/zinc/20/06/77/1286200677.db2.gz VBAQUYMJPFCXAA-GWCFXTLKSA-N 1 0 342.233 2.976 20 10 EFCDRO COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001172764562 1286268397 /nfs/dbraw/zinc/26/83/97/1286268397.db2.gz FCIFMACNQXFVTA-MSOLQXFVSA-N 1 0 346.471 2.735 20 10 EFCDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000814171341 1286352838 /nfs/dbraw/zinc/35/28/38/1286352838.db2.gz LBKKCRYNPNDGKJ-HXUWFJFHSA-N 1 0 341.407 2.718 20 10 EFCDRO CCOc1ccc(C[NH2+]Cc2cc(C)nc(N3CCCC3)n2)c(O)c1 ZINC000814178442 1286359760 /nfs/dbraw/zinc/35/97/60/1286359760.db2.gz PTPYJJSQBLYZRG-UHFFFAOYSA-N 1 0 342.443 2.779 20 10 EFCDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000814170756 1286373790 /nfs/dbraw/zinc/37/37/90/1286373790.db2.gz BNSQTMXJLWLMHN-IBGZPJMESA-N 1 0 329.371 2.848 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2=CCOCC2)cc1C ZINC001134196307 1286454792 /nfs/dbraw/zinc/45/47/92/1286454792.db2.gz CBBSDHYFCAIVQY-HOTGVXAUSA-N 1 0 346.471 2.723 20 10 EFCDRO CC[N@@H+]1CC[C@@H](N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001173370426 1286554908 /nfs/dbraw/zinc/55/49/08/1286554908.db2.gz ZIJCZXKWIYTWQI-OAHLLOKOSA-N 1 0 343.393 2.801 20 10 EFCDRO CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001173647788 1286754372 /nfs/dbraw/zinc/75/43/72/1286754372.db2.gz FIIVEVQHIYCEIT-AEFFLSMTSA-N 1 0 346.471 2.939 20 10 EFCDRO CCOC(=O)C[C@H]1CC[C@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001173647804 1286754752 /nfs/dbraw/zinc/75/47/52/1286754752.db2.gz FIIVEVQHIYCEIT-WMZOPIPTSA-N 1 0 346.471 2.939 20 10 EFCDRO c1nnn([C@@H]2CCC[C@@H]([NH2+]Cc3ccc(N4CCCC4)cc3)C2)n1 ZINC001173734815 1286770746 /nfs/dbraw/zinc/77/07/46/1286770746.db2.gz OVKIWBUTSDRHDX-SJLPKXTDSA-N 1 0 326.448 2.547 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173761940 1286781905 /nfs/dbraw/zinc/78/19/05/1286781905.db2.gz XJSZGCDFCVHTRO-OALUTQOASA-N 1 0 340.475 2.889 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@@H](C)[C@@H]2CCCO2)cc1C ZINC001174628776 1287086089 /nfs/dbraw/zinc/08/60/89/1287086089.db2.gz HAHTWOXAYCPZFQ-APWZRJJASA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc3ccccn3c2)cc1C ZINC001134710266 1287096282 /nfs/dbraw/zinc/09/62/82/1287096282.db2.gz CNKKDWBODCNZQN-UHFFFAOYSA-N 1 0 337.423 2.776 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H](C)c2cccnc2)cc1C ZINC001134735928 1287124918 /nfs/dbraw/zinc/12/49/18/1287124918.db2.gz WTYQUWXTQJKSGZ-HNNXBMFYSA-N 1 0 341.455 2.798 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc2cnoc2)cc1C ZINC001135265899 1287887007 /nfs/dbraw/zinc/88/70/07/1287887007.db2.gz GEBMTGVGUDYGPA-GJZGRUSLSA-N 1 0 345.443 2.607 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)CC[C@H]2CC[C@@H](C)O2)cc1C ZINC001176669576 1288064062 /nfs/dbraw/zinc/06/40/62/1288064062.db2.gz ZNQIWOLYYCHPPM-SJLPKXTDSA-N 1 0 348.487 2.947 20 10 EFCDRO [O-]c1cc(F)c(Cl)cc1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000816484660 1288154810 /nfs/dbraw/zinc/15/48/10/1288154810.db2.gz KOKSKCVAZBMVGL-CQSZACIVSA-N 1 0 342.842 2.871 20 10 EFCDRO Oc1c(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)ccc2ccccc21 ZINC000816494366 1288162363 /nfs/dbraw/zinc/16/23/63/1288162363.db2.gz IULGTTHKRFLMIN-GOSISDBHSA-N 1 0 326.440 2.842 20 10 EFCDRO Oc1c(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)ccc2ccccc21 ZINC000816515040 1288183765 /nfs/dbraw/zinc/18/37/65/1288183765.db2.gz NZNWZFGFQSXEPF-MRXNPFEDSA-N 1 0 326.440 2.700 20 10 EFCDRO Oc1c(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)ccc2ccccc21 ZINC000816515039 1288184182 /nfs/dbraw/zinc/18/41/82/1288184182.db2.gz NZNWZFGFQSXEPF-INIZCTEOSA-N 1 0 326.440 2.700 20 10 EFCDRO Oc1c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)ccc2ccccc21 ZINC000816517297 1288186284 /nfs/dbraw/zinc/18/62/84/1288186284.db2.gz LGVIKAOXGBBPAZ-INIZCTEOSA-N 1 0 326.440 2.700 20 10 EFCDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCCSc2nccs2)C1 ZINC000816553458 1288210458 /nfs/dbraw/zinc/21/04/58/1288210458.db2.gz WEQSRARPPHSUTN-NWDGAFQWSA-N 1 0 334.532 2.571 20 10 EFCDRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816569921 1288212358 /nfs/dbraw/zinc/21/23/58/1288212358.db2.gz BFKIZPIKDSAQOS-LJQANCHMSA-N 1 0 331.412 2.728 20 10 EFCDRO CN(CCC[N@H+](C)Cc1cc(Cl)c(F)cc1[O-])CC[NH+](C)C ZINC000816613533 1288225775 /nfs/dbraw/zinc/22/57/75/1288225775.db2.gz XWGCGRJSTSOBAB-UHFFFAOYSA-N 1 0 331.863 2.500 20 10 EFCDRO CC[C@@H]1C[N@H+](C)CCN1Cc1cc(Br)cc(OC)c1O ZINC000816660349 1288232695 /nfs/dbraw/zinc/23/26/95/1288232695.db2.gz AICLXAPHJURMDX-CYBMUJFWSA-N 1 0 343.265 2.689 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](O)CC2)c1O ZINC000816667456 1288235406 /nfs/dbraw/zinc/23/54/06/1288235406.db2.gz NTLHOUBCGNGOKS-GFCCVEGCSA-N 1 0 330.222 2.510 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](CO)CC2)c1O ZINC000816666525 1288235901 /nfs/dbraw/zinc/23/59/01/1288235901.db2.gz OZKRJBRLLBOEIG-NSHDSACASA-N 1 0 344.249 2.758 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000816666711 1288237302 /nfs/dbraw/zinc/23/73/02/1288237302.db2.gz UXQNPFGARRJJOL-WOJBJXKFSA-N 1 0 328.456 2.667 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000816888958 1288305472 /nfs/dbraw/zinc/30/54/72/1288305472.db2.gz GJYJUXRZTVOUHJ-MRXNPFEDSA-N 1 0 334.485 2.568 20 10 EFCDRO CC1(C)CC(C[NH2+]CCCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001177237602 1288342380 /nfs/dbraw/zinc/34/23/80/1288342380.db2.gz FJCGETSFNDCYHT-UHFFFAOYSA-N 1 0 345.447 2.995 20 10 EFCDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000776229699 1297169106 /nfs/dbraw/zinc/16/91/06/1297169106.db2.gz ACTSJLGCUNRCBL-MRXNPFEDSA-N 1 0 331.412 2.757 20 10 EFCDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000817154445 1288444029 /nfs/dbraw/zinc/44/40/29/1288444029.db2.gz KNLKWZDZMRTKOC-GOSISDBHSA-N 1 0 330.476 2.522 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1 ZINC000817153468 1288444749 /nfs/dbraw/zinc/44/47/49/1288444749.db2.gz CORMZYNFEYLKKD-GOSISDBHSA-N 1 0 332.492 2.768 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NC2CCC([NH+](C)C)CC2)cc1F ZINC000817178638 1288451987 /nfs/dbraw/zinc/45/19/87/1288451987.db2.gz DBEPKJBPOJOVQY-UHFFFAOYSA-N 1 0 336.455 2.564 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1)[C@H](O)CO2 ZINC000817365477 1288579318 /nfs/dbraw/zinc/57/93/18/1288579318.db2.gz UDNPCIWEMZUGOH-QMTHXVAHSA-N 1 0 331.334 2.982 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1)[C@H](O)CO2 ZINC000817365476 1288579514 /nfs/dbraw/zinc/57/95/14/1288579514.db2.gz UDNPCIWEMZUGOH-IINYFYTJSA-N 1 0 331.334 2.982 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c1O ZINC000817412551 1288591355 /nfs/dbraw/zinc/59/13/55/1288591355.db2.gz MLNNKAMNAQGANH-QWRGUYRKSA-N 1 0 344.249 2.614 20 10 EFCDRO CCOCc1cc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)ccc1OC ZINC000817412648 1288591933 /nfs/dbraw/zinc/59/19/33/1288591933.db2.gz NPUAJOWSMDHTGT-KOMQPUFPSA-N 1 0 334.460 2.613 20 10 EFCDRO c1cnc2c(c1)CC[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000817573092 1288658141 /nfs/dbraw/zinc/65/81/41/1288658141.db2.gz AOYWRKUNOPXULL-IBGZPJMESA-N 1 0 337.467 2.955 20 10 EFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(CC(N)=O)CC2)c1O ZINC000817586222 1288664931 /nfs/dbraw/zinc/66/49/31/1288664931.db2.gz MMRDGNBADOIAHV-SNVBAGLBSA-N 1 0 341.249 2.769 20 10 EFCDRO CC[C@H]([NH2+]CC1(CC(N)=O)CC1)c1cc(Br)ccc1O ZINC000817585579 1288665019 /nfs/dbraw/zinc/66/50/19/1288665019.db2.gz GUKCYWZDGJLWGM-LBPRGKRZSA-N 1 0 341.249 2.851 20 10 EFCDRO CC/C(C)=C\C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000822238118 1288913134 /nfs/dbraw/zinc/91/31/34/1288913134.db2.gz TXFOJLBYLPXYLD-MSUUIHNZSA-N 1 0 345.487 2.680 20 10 EFCDRO CCC[N@@H+]1CC[C@H](NC(=O)N(CC)Cc2ccc(N(C)C)cc2)C1 ZINC000823054501 1289189968 /nfs/dbraw/zinc/18/99/68/1289189968.db2.gz SBUHEAVKZUZRDA-KRWDZBQOSA-N 1 0 332.492 2.768 20 10 EFCDRO CC[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000823189834 1289229516 /nfs/dbraw/zinc/22/95/16/1289229516.db2.gz SCSJZTOWLQTIJM-GOSISDBHSA-N 1 0 331.504 2.828 20 10 EFCDRO CN(C)C(=O)[C@H]1CCC2(C1)CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001277660026 1312693489 /nfs/dbraw/zinc/69/34/89/1312693489.db2.gz NNQUQKXJUDZRMX-AWEZNQCLSA-N 1 0 332.444 2.568 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CCCc3c2cnn3C)N(C)C)cc1 ZINC000903448179 1312693642 /nfs/dbraw/zinc/69/36/42/1312693642.db2.gz LRNMFFLDSRXJKI-AZUAARDMSA-N 1 0 341.503 2.756 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2C[C@H](CO)CC[C@@H]2C)c2ccccc2n1C ZINC001232401906 1312693931 /nfs/dbraw/zinc/69/39/31/1312693931.db2.gz GJDBOLIDQCIEDQ-UONOGXRCSA-N 1 0 330.428 2.558 20 10 EFCDRO Cc1cc([C@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)n(C)n1 ZINC000903447938 1312694012 /nfs/dbraw/zinc/69/40/12/1312694012.db2.gz GJFCNNZETRZUDQ-KXBFYZLASA-N 1 0 329.492 2.748 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCCc3c2cnn3C)N(C)C)cc1 ZINC000903448181 1312694040 /nfs/dbraw/zinc/69/40/40/1312694040.db2.gz LRNMFFLDSRXJKI-QUCCMNQESA-N 1 0 341.503 2.756 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)c2ccccc2n1C ZINC001232401867 1312694196 /nfs/dbraw/zinc/69/41/96/1312694196.db2.gz DVYBNLGGZJBWQX-HXUWFJFHSA-N 1 0 344.455 2.948 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cc[nH]c(=O)c1 ZINC000903448006 1312694216 /nfs/dbraw/zinc/69/42/16/1312694216.db2.gz HOIUEASLNGAAMB-KSSFIOAISA-N 1 0 328.460 2.807 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCCC[C@@](C)(O)C2)c2ccccc2n1C ZINC001232403391 1312694676 /nfs/dbraw/zinc/69/46/76/1312694676.db2.gz XIJMFWLVLZUYMQ-LJQANCHMSA-N 1 0 330.428 2.702 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@H](C)[C@@](C)(O)CC2)c2ccccc2n1C ZINC001232402959 1312694903 /nfs/dbraw/zinc/69/49/03/1312694903.db2.gz SPPVMSIFWOITTJ-XOBRGWDASA-N 1 0 344.455 2.948 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@@H](CO)CC2)c2ccccc2n1C ZINC001232403156 1312695003 /nfs/dbraw/zinc/69/50/03/1312695003.db2.gz VLDMGBMTJSQMLH-CQSZACIVSA-N 1 0 330.428 2.559 20 10 EFCDRO CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903449024 1312695271 /nfs/dbraw/zinc/69/52/71/1312695271.db2.gz VLRDFLKBXNWCJG-UXHICEINSA-N 1 0 343.519 2.866 20 10 EFCDRO COC(=O)c1c(C[NH+]2CC3(C2)CCOCC3)c2ccccc2n1C ZINC001232408132 1312695571 /nfs/dbraw/zinc/69/55/71/1312695571.db2.gz WXFMDYDZUAVVPO-UHFFFAOYSA-N 1 0 328.412 2.577 20 10 EFCDRO COC(=O)c1c(C[N@H+](C)C[C@@H]2CCCCO2)c2ccccc2n1C ZINC001232407768 1312695738 /nfs/dbraw/zinc/69/57/38/1312695738.db2.gz TZANUVRDDPIJFH-AWEZNQCLSA-N 1 0 330.428 2.966 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c2ccccc2n1C ZINC001232405574 1312695815 /nfs/dbraw/zinc/69/58/15/1312695815.db2.gz MXJBQNLLKQVVOF-SUMWQHHRSA-N 1 0 328.412 2.576 20 10 EFCDRO Cc1nccnc1[C@H](C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903449347 1312695966 /nfs/dbraw/zinc/69/59/66/1312695966.db2.gz XQDQARLHFPLOFQ-MAUKXSAKSA-N 1 0 327.476 2.805 20 10 EFCDRO COC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823837143 1289465288 /nfs/dbraw/zinc/46/52/88/1289465288.db2.gz PUJVBOMWJMCEQK-SFHVURJKSA-N 1 0 334.485 2.872 20 10 EFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CCCC34CCC4)cc2)CC1 ZINC000823851645 1289470311 /nfs/dbraw/zinc/47/03/11/1289470311.db2.gz UGAANLARZZWQSN-SFHVURJKSA-N 1 0 348.512 2.734 20 10 EFCDRO COc1ccc(O)c(C[NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1 ZINC000823871689 1289472822 /nfs/dbraw/zinc/47/28/22/1289472822.db2.gz MIPZLQRFMFWBKO-LIRRHRJNSA-N 1 0 348.443 2.747 20 10 EFCDRO COc1ccc(C[NH2+]CCN2CCCCC2)cc1Cn1cccn1 ZINC000873010135 1289516973 /nfs/dbraw/zinc/51/69/73/1289516973.db2.gz AMJFLKWOATUNQG-UHFFFAOYSA-N 1 0 328.460 2.516 20 10 EFCDRO COc1ccc(C[NH2+]CCOCC(F)(F)F)cc1Cn1cccn1 ZINC000873009304 1289517110 /nfs/dbraw/zinc/51/71/10/1289517110.db2.gz WDKWOTJBUHGUPI-UHFFFAOYSA-N 1 0 343.349 2.609 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](C)N2CCCCC2)cc1Cn1cccn1 ZINC000873022176 1289525594 /nfs/dbraw/zinc/52/55/94/1289525594.db2.gz SFLDCCUNVSBDKL-QGZVFWFLSA-N 1 0 342.487 2.904 20 10 EFCDRO COc1ccc(C[NH2+]CCc2nccs2)cc1Cn1cccn1 ZINC000873031545 1289530724 /nfs/dbraw/zinc/53/07/24/1289530724.db2.gz WMFURVWSGGMBKY-UHFFFAOYSA-N 1 0 328.441 2.729 20 10 EFCDRO COc1ccc(C[NH2+]Cc2cnc(C)s2)cc1Cn1cccn1 ZINC000873043398 1289536618 /nfs/dbraw/zinc/53/66/18/1289536618.db2.gz NMFSWZPFKOEMRT-UHFFFAOYSA-N 1 0 328.441 2.995 20 10 EFCDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873051309 1289540791 /nfs/dbraw/zinc/54/07/91/1289540791.db2.gz HUDBQJBOMRSVSM-DNVCBOLYSA-N 1 0 331.460 2.827 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](O)c2ccsc2)cc1Cn1cccn1 ZINC000873059214 1289544165 /nfs/dbraw/zinc/54/41/65/1289544165.db2.gz YNGFFAIXCINEIW-KRWDZBQOSA-N 1 0 343.452 2.825 20 10 EFCDRO CCc1cc(CNCc2ccc(OC)c(Cn3cccn3)c2)on1 ZINC000873058374 1289544224 /nfs/dbraw/zinc/54/42/24/1289544224.db2.gz DYTODROVWYVUCR-UHFFFAOYSA-N 1 0 326.400 2.780 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1Cn1cccn1 ZINC000873060573 1289545549 /nfs/dbraw/zinc/54/55/49/1289545549.db2.gz JHOLGUYUMXJXQW-UHOSZYNNSA-N 1 0 341.455 2.843 20 10 EFCDRO COc1ccc(C[NH2+][C@H](CO)C2CCCCC2)cc1Cn1cccn1 ZINC000873066737 1289548682 /nfs/dbraw/zinc/54/86/82/1289548682.db2.gz CMBBEJQCSAYTQL-LJQANCHMSA-N 1 0 343.471 2.971 20 10 EFCDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)NCc3ccc(N4CCCC4)cc3)[C@@H]2C1 ZINC000824186509 1289550269 /nfs/dbraw/zinc/55/02/69/1289550269.db2.gz WRYCYGTWLYVJTA-PKOBYXMFSA-N 1 0 342.487 2.522 20 10 EFCDRO CCCOc1ccc(C[NH2+]CCS(=O)(=O)CC2CC2)cc1C ZINC000873079388 1289556386 /nfs/dbraw/zinc/55/63/86/1289556386.db2.gz FNRDMXZVWDBTEK-UHFFFAOYSA-N 1 0 325.474 2.698 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C2CCOCC2)cc1Cn1cccn1 ZINC000873078539 1289556638 /nfs/dbraw/zinc/55/66/38/1289556638.db2.gz OHZHLEHRFXFDEZ-OAHLLOKOSA-N 1 0 329.444 2.845 20 10 EFCDRO CCCOc1ccc(C[NH2+]C2CCN(C(=O)CCOC)CC2)cc1C ZINC000873080520 1289557867 /nfs/dbraw/zinc/55/78/67/1289557867.db2.gz QUOMKAKEBGXFET-UHFFFAOYSA-N 1 0 348.487 2.901 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000824167612 1289558295 /nfs/dbraw/zinc/55/82/95/1289558295.db2.gz UUXRCOSGLWMTSA-SFHVURJKSA-N 1 0 339.439 2.808 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@]2(O)CCN(C)C2)cc1 ZINC000824172748 1289561438 /nfs/dbraw/zinc/56/14/38/1289561438.db2.gz RBAXZZNOOHQCAE-LJQANCHMSA-N 1 0 345.512 2.541 20 10 EFCDRO COc1ccc(C[NH2+][C@H](CO)CC(C)(C)C)cc1Cn1cccn1 ZINC000873092163 1289564196 /nfs/dbraw/zinc/56/41/96/1289564196.db2.gz ANIZTEFRJHFAEI-KRWDZBQOSA-N 1 0 331.460 2.827 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000824212767 1289571339 /nfs/dbraw/zinc/57/13/39/1289571339.db2.gz WTZPWDQFGZWLON-UHFFFAOYSA-N 1 0 331.460 2.656 20 10 EFCDRO COc1ccc(C[NH2+][C@H](CO)CC2CCC2)cc1Cn1cccn1 ZINC000873117042 1289576180 /nfs/dbraw/zinc/57/61/80/1289576180.db2.gz GZKNUJSTVAOMEY-SFHVURJKSA-N 1 0 329.444 2.581 20 10 EFCDRO COCCC1([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CCC1 ZINC000873117688 1289577142 /nfs/dbraw/zinc/57/71/42/1289577142.db2.gz MBEVUUGSSAQPKC-UHFFFAOYSA-N 1 0 329.444 2.989 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C(C)C)cc1Cn1cccn1 ZINC000873126748 1289583492 /nfs/dbraw/zinc/58/34/92/1289583492.db2.gz CHBRUXUKBSLGBS-INIZCTEOSA-N 1 0 330.476 2.758 20 10 EFCDRO COc1ccc(C[NH2+]C(C)(C)CN2CCCC2)cc1Cn1cccn1 ZINC000873128896 1289584475 /nfs/dbraw/zinc/58/44/75/1289584475.db2.gz BIXJVMAXDSHCQU-UHFFFAOYSA-N 1 0 342.487 2.904 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCN2CCOCC2)cc1 ZINC000824243147 1289585025 /nfs/dbraw/zinc/58/50/25/1289585025.db2.gz XLCYHXLVWSDLRJ-UHFFFAOYSA-N 1 0 345.512 2.806 20 10 EFCDRO COc1ccc(C[NH2+]CC2(O)CCC(C)CC2)cc1Cn1cccn1 ZINC000873140455 1289594230 /nfs/dbraw/zinc/59/42/30/1289594230.db2.gz OEGBKYGWWALSMH-UHFFFAOYSA-N 1 0 343.471 2.971 20 10 EFCDRO COc1ccc(C[NH2+][C@H](CO)CCC(C)C)cc1Cn1cccn1 ZINC000873141403 1289595710 /nfs/dbraw/zinc/59/57/10/1289595710.db2.gz DYYBXMPNWVODKT-SFHVURJKSA-N 1 0 331.460 2.827 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1F ZINC000824490202 1289668740 /nfs/dbraw/zinc/66/87/40/1289668740.db2.gz ZUOSAQVLZWSYMN-HALDLXJZSA-N 1 0 349.450 2.847 20 10 EFCDRO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000824560994 1289700401 /nfs/dbraw/zinc/70/04/01/1289700401.db2.gz NURGCDMVGPFYMJ-MRXNPFEDSA-N 1 0 334.460 2.799 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c(O)c1 ZINC000824608401 1289723730 /nfs/dbraw/zinc/72/37/30/1289723730.db2.gz GQNYJIUBRLWOIN-CQSZACIVSA-N 1 0 334.460 2.905 20 10 EFCDRO CCSCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001181271375 1289760522 /nfs/dbraw/zinc/76/05/22/1289760522.db2.gz QXAHJQLINUALQR-MRXNPFEDSA-N 1 0 336.501 2.837 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccc(Cl)[nH]2)cc1C ZINC001166155170 1312738530 /nfs/dbraw/zinc/73/85/30/1312738530.db2.gz IKFWKIJPWMNKLW-UHFFFAOYSA-N 1 0 335.835 2.895 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C)CSC)C2)cc1C ZINC001181674961 1289899123 /nfs/dbraw/zinc/89/91/23/1289899123.db2.gz SOBXWNBSZBTCPS-GOEBONIOSA-N 1 0 336.501 2.693 20 10 EFCDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000091530971 1290176184 /nfs/dbraw/zinc/17/61/84/1290176184.db2.gz ZLQUFPLFRAIYLK-SFHVURJKSA-N 1 0 331.504 2.829 20 10 EFCDRO COc1ccc(N2CC[NH+](Cc3ccc(CCO)cc3)CC2)cc1 ZINC001232774460 1312774957 /nfs/dbraw/zinc/77/49/57/1312774957.db2.gz LGEYQTMSRJETAC-UHFFFAOYSA-N 1 0 326.440 2.552 20 10 EFCDRO FC(F)(F)Oc1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC001202541193 1290348383 /nfs/dbraw/zinc/34/83/83/1290348383.db2.gz UFPPLLRDTZGWTR-CYBMUJFWSA-N 1 0 330.350 2.744 20 10 EFCDRO COCCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC001183688759 1290383893 /nfs/dbraw/zinc/38/38/93/1290383893.db2.gz FOEJFHNNQWXHIL-FUHWJXTLSA-N 1 0 348.487 2.614 20 10 EFCDRO CC(C)([NH2+]Cc1ccc(Br)cc1O)C(=O)N1CCCC1 ZINC000825752413 1290400388 /nfs/dbraw/zinc/40/03/88/1290400388.db2.gz AGMJETFOARTMEM-UHFFFAOYSA-N 1 0 341.249 2.645 20 10 EFCDRO CC(C)[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001037136618 1290432613 /nfs/dbraw/zinc/43/26/13/1290432613.db2.gz XERQOIQMMLMELY-UKRRQHHQSA-N 1 0 331.420 2.746 20 10 EFCDRO Cc1ccc(O)c(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000875003906 1290439001 /nfs/dbraw/zinc/43/90/01/1290439001.db2.gz FXHKQCKCMGEXKT-SFHVURJKSA-N 1 0 339.439 2.774 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)c1O ZINC001203585550 1290443837 /nfs/dbraw/zinc/44/38/37/1290443837.db2.gz OZPOMQSPNCCYHR-XHDPSFHLSA-N 1 0 333.350 2.926 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)CC[C@]1(O)C(F)(F)F ZINC001232836971 1312791604 /nfs/dbraw/zinc/79/16/04/1312791604.db2.gz XYSXNHTYZFNIKB-IAQYHMDHSA-N 1 0 332.366 2.593 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)c(O)c1 ZINC001232839017 1312792135 /nfs/dbraw/zinc/79/21/35/1312792135.db2.gz VYFHAJZIJUGHPW-FQEVSTJZSA-N 1 0 337.423 2.554 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232838262 1312792437 /nfs/dbraw/zinc/79/24/37/1312792437.db2.gz CBXRPOYGUFAGGV-AWEZNQCLSA-N 1 0 349.475 2.805 20 10 EFCDRO CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2ccc(N(C)C)cc2O)CC1 ZINC001232840242 1312792822 /nfs/dbraw/zinc/79/28/22/1312792822.db2.gz QSCNBSMXDDGFEF-IBGZPJMESA-N 1 0 347.503 2.533 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCN(c3ncccc3Cl)CC2)c(O)c1 ZINC001232840380 1312792916 /nfs/dbraw/zinc/79/29/16/1312792916.db2.gz VXPLYBFWUIUHCY-UHFFFAOYSA-N 1 0 346.862 2.829 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)c(O)c1 ZINC001232840527 1312792925 /nfs/dbraw/zinc/79/29/25/1312792925.db2.gz CCCFCFLGWXITBJ-LJQANCHMSA-N 1 0 326.440 2.902 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c(O)c1 ZINC001232840442 1312792960 /nfs/dbraw/zinc/79/29/60/1312792960.db2.gz AEYFGGBRGBCRSY-INIZCTEOSA-N 1 0 346.393 2.984 20 10 EFCDRO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3O)C2)n1 ZINC001232841791 1312793012 /nfs/dbraw/zinc/79/30/12/1312793012.db2.gz SDMSRZFROXQXOK-QGZVFWFLSA-N 1 0 327.428 2.815 20 10 EFCDRO Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232841562 1312793150 /nfs/dbraw/zinc/79/31/50/1312793150.db2.gz JWIULZWFMDRTML-QGZVFWFLSA-N 1 0 327.428 2.815 20 10 EFCDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc(N(C)C)cc2O)CC1 ZINC001232840243 1312793259 /nfs/dbraw/zinc/79/32/59/1312793259.db2.gz QSCNBSMXDDGFEF-LJQANCHMSA-N 1 0 347.503 2.533 20 10 EFCDRO COc1cccc(O[C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3O)C2)n1 ZINC001232841547 1312793318 /nfs/dbraw/zinc/79/33/18/1312793318.db2.gz JIZPTYCGAYOFGL-MRXNPFEDSA-N 1 0 343.427 2.515 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c(O)c1 ZINC001232840826 1312793374 /nfs/dbraw/zinc/79/33/74/1312793374.db2.gz LBMDWGPLHCFJRE-HOCLYGCPSA-N 1 0 347.459 2.509 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(C)(C(=O)N3CCCC3)CC2)c(O)c1 ZINC001232840379 1312793451 /nfs/dbraw/zinc/79/34/51/1312793451.db2.gz VWOGNPLKJDXUKG-UHFFFAOYSA-N 1 0 345.487 2.683 20 10 EFCDRO COc1cc(O[C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3O)C2)ccn1 ZINC001232841941 1312793981 /nfs/dbraw/zinc/79/39/81/1312793981.db2.gz VCGCFEPOINHWCX-QGZVFWFLSA-N 1 0 343.427 2.515 20 10 EFCDRO CC(C)C(=O)N(C)C1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232842086 1312794224 /nfs/dbraw/zinc/79/42/24/1312794224.db2.gz ZOKDILBXNZLVMC-UHFFFAOYSA-N 1 0 333.476 2.537 20 10 EFCDRO Cc1ccc(O)c(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000092048096 1290630524 /nfs/dbraw/zinc/63/05/24/1290630524.db2.gz NJBRCAYPXQDGHP-UHFFFAOYSA-N 1 0 327.384 2.931 20 10 EFCDRO Fc1cc(CN2CCC[C@H]([NH+]3CCCC3)C2)ccc1N1CCOCC1 ZINC000092047027 1290630601 /nfs/dbraw/zinc/63/06/01/1290630601.db2.gz KMTYWOXFLZCFIR-SFHVURJKSA-N 1 0 347.478 2.723 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)Cc2cccnc2C)cc1C ZINC001166593732 1312799282 /nfs/dbraw/zinc/79/92/82/1312799282.db2.gz YTPAWJMRCZRVDE-UHFFFAOYSA-N 1 0 341.455 2.546 20 10 EFCDRO c1cc(N2CCCCC2)ccc1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000092217886 1290665942 /nfs/dbraw/zinc/66/59/42/1290665942.db2.gz YUQARXLFBFMGBV-OAQYLSRUSA-N 1 0 343.515 2.974 20 10 EFCDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1c(F)ccc(O)c1O ZINC000825849429 1290813584 /nfs/dbraw/zinc/81/35/84/1290813584.db2.gz HFBWKLXPZCPVJN-CQSZACIVSA-N 1 0 344.386 2.631 20 10 EFCDRO CC1CCC([NH+]2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)CC1 ZINC000825869328 1290895040 /nfs/dbraw/zinc/89/50/40/1290895040.db2.gz XZBOBKICKCWUEZ-UHFFFAOYSA-N 1 0 336.407 2.573 20 10 EFCDRO CO[C@H](C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C1CCOCC1 ZINC000876531691 1290936754 /nfs/dbraw/zinc/93/67/54/1290936754.db2.gz MKDCJOJQJLLSBX-AZUAARDMSA-N 1 0 349.471 2.815 20 10 EFCDRO CO[C@H](C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)C1CCOCC1 ZINC000876531694 1290937167 /nfs/dbraw/zinc/93/71/67/1290937167.db2.gz MKDCJOJQJLLSBX-UYAOXDASSA-N 1 0 349.471 2.815 20 10 EFCDRO CO[C@@H](C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)C1CCOCC1 ZINC000876531693 1290937504 /nfs/dbraw/zinc/93/75/04/1290937504.db2.gz MKDCJOJQJLLSBX-QUCCMNQESA-N 1 0 349.471 2.815 20 10 EFCDRO Oc1cc(I)ccc1C[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001232979561 1312824268 /nfs/dbraw/zinc/82/42/68/1312824268.db2.gz GESIDYVVPCWLFP-CNDDSTCGSA-N 1 0 347.171 2.644 20 10 EFCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000876781823 1291022834 /nfs/dbraw/zinc/02/28/34/1291022834.db2.gz NVURLCFATBNENM-ROUUACIJSA-N 1 0 330.472 2.506 20 10 EFCDRO CCc1nsc(N2CCC[N@H+](Cc3c(C)cccc3O)CC2)n1 ZINC000876797708 1291024341 /nfs/dbraw/zinc/02/43/41/1291024341.db2.gz TZLSJTJSTNCHML-UHFFFAOYSA-N 1 0 332.473 2.827 20 10 EFCDRO Cc1ccc(C[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)c(O)c1 ZINC000876886142 1291058292 /nfs/dbraw/zinc/05/82/92/1291058292.db2.gz VJQHMBCLPDWDSY-QGZVFWFLSA-N 1 0 345.512 2.840 20 10 EFCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000876886085 1291058467 /nfs/dbraw/zinc/05/84/67/1291058467.db2.gz TXLITCRGJZLVRJ-KRWDZBQOSA-N 1 0 345.512 2.840 20 10 EFCDRO CCNC(=O)COc1cccc(C[NH2+]Cc2c(C)cccc2O)c1 ZINC000876948652 1291081782 /nfs/dbraw/zinc/08/17/82/1291081782.db2.gz JPFQYWARMROYCJ-UHFFFAOYSA-N 1 0 328.412 2.505 20 10 EFCDRO OCC1CCN(c2ccc(C[NH2+]CCC3CCOCC3)cc2)CC1 ZINC000876966413 1291090463 /nfs/dbraw/zinc/09/04/63/1291090463.db2.gz UTDXUBRRTHPDFX-UHFFFAOYSA-N 1 0 332.488 2.802 20 10 EFCDRO C[C@H](O)c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000876967415 1291090696 /nfs/dbraw/zinc/09/06/96/1291090696.db2.gz HIMGRIPTKKUIRR-INIZCTEOSA-N 1 0 340.467 2.991 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(Cl)nn1)c1ccc(N2CCOCC2)cc1 ZINC000876986950 1291098824 /nfs/dbraw/zinc/09/88/24/1291098824.db2.gz NKSILSHBVABQHA-ZDUSSCGKSA-N 1 0 332.835 2.817 20 10 EFCDRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000876986500 1291099557 /nfs/dbraw/zinc/09/95/57/1291099557.db2.gz HDASTMMHHHXODW-JFIYKMOQSA-N 1 0 345.487 2.621 20 10 EFCDRO Oc1ccccc1CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876996311 1291100420 /nfs/dbraw/zinc/10/04/20/1291100420.db2.gz RXOZDQQAHLBPOG-UHFFFAOYSA-N 1 0 326.440 2.686 20 10 EFCDRO C[N@H+](CCc1cccc(C(F)(F)F)n1)Cc1cc(O)c(O)c(O)c1 ZINC001233009813 1312831763 /nfs/dbraw/zinc/83/17/63/1312831763.db2.gz CCFOKPOHIYMALM-UHFFFAOYSA-N 1 0 342.317 2.892 20 10 EFCDRO Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2C(C)C)c(C)n1-c1ccccn1 ZINC000876998454 1291101777 /nfs/dbraw/zinc/10/17/77/1291101777.db2.gz NSEUYZNXJVALDI-QGZVFWFLSA-N 1 0 326.444 2.559 20 10 EFCDRO Oc1cc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)cc(O)c1O ZINC001233011263 1312831887 /nfs/dbraw/zinc/83/18/87/1312831887.db2.gz BOPKPICMMSSTLM-RVKKMQEKSA-N 1 0 333.428 2.831 20 10 EFCDRO CCc1cc(N2CCC[C@@H]([NH2+]Cc3c(C)cccc3O)C2)ncn1 ZINC000877009808 1291106918 /nfs/dbraw/zinc/10/69/18/1291106918.db2.gz AVJIVWWKKFHRCU-MRXNPFEDSA-N 1 0 326.444 2.812 20 10 EFCDRO Oc1cc(C[N@H+](Cc2ccccc2)C2CCOCC2)cc(O)c1O ZINC001233013979 1312832810 /nfs/dbraw/zinc/83/28/10/1312832810.db2.gz VVVHYOBXRRANQZ-UHFFFAOYSA-N 1 0 329.396 2.985 20 10 EFCDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877073572 1291125767 /nfs/dbraw/zinc/12/57/67/1291125767.db2.gz NPGBDDZJDHDEOH-UHFFFAOYSA-N 1 0 348.487 2.859 20 10 EFCDRO COc1cc(C[C@@H](CO)C[NH2+]Cc2ccc(C)cc2O)cc(OC)c1 ZINC000877076047 1291126332 /nfs/dbraw/zinc/12/63/32/1291126332.db2.gz IUPRFEMFNWNMRN-MRXNPFEDSA-N 1 0 345.439 2.659 20 10 EFCDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCC[C@H]1O ZINC000877082281 1291128927 /nfs/dbraw/zinc/12/89/27/1291128927.db2.gz ZIVDUMIBZKNRQI-UXHICEINSA-N 1 0 332.488 2.679 20 10 EFCDRO COC(=O)CC1([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CCC1 ZINC000877140740 1291143738 /nfs/dbraw/zinc/14/37/38/1291143738.db2.gz YOUQSCSXABMWIB-UHFFFAOYSA-N 1 0 343.427 2.515 20 10 EFCDRO CC[C@H](C)[C@H](C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)OC ZINC000877146005 1291146013 /nfs/dbraw/zinc/14/60/13/1291146013.db2.gz OPKUTXHRNUBQHO-WDYCEAGBSA-N 1 0 347.503 2.539 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000126385571 1291153677 /nfs/dbraw/zinc/15/36/77/1291153677.db2.gz IFRXNOINBRBMBJ-AWEZNQCLSA-N 1 0 345.418 2.917 20 10 EFCDRO CC[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@H](O)c1ccc(C)cc1 ZINC000093641167 1291183347 /nfs/dbraw/zinc/18/33/47/1291183347.db2.gz GFCOQIIQLGMDRU-KRWDZBQOSA-N 1 0 329.396 2.985 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1F ZINC000093664408 1291189409 /nfs/dbraw/zinc/18/94/09/1291189409.db2.gz MODPTSFZPUFCNF-GOSISDBHSA-N 1 0 349.494 2.826 20 10 EFCDRO CC[NH+](CC)C[C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000093693301 1291196354 /nfs/dbraw/zinc/19/63/54/1291196354.db2.gz YUMNQTYFDCHGSK-GOSISDBHSA-N 1 0 349.494 2.826 20 10 EFCDRO C[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1nccs1 ZINC000877339313 1291198402 /nfs/dbraw/zinc/19/84/02/1291198402.db2.gz XFFPGNAANHEEQD-CQSZACIVSA-N 1 0 331.485 2.998 20 10 EFCDRO OC1CCN(c2ccc(C[N@@H+]3CCOCC4(CCC4)C3)cc2)CC1 ZINC000877348308 1291203880 /nfs/dbraw/zinc/20/38/80/1291203880.db2.gz AOHCEVQANQAEAV-UHFFFAOYSA-N 1 0 330.472 2.650 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1F ZINC000093817599 1291218680 /nfs/dbraw/zinc/21/86/80/1291218680.db2.gz YEWYZDDDCHTUDV-SFHVURJKSA-N 1 0 349.494 2.826 20 10 EFCDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877528534 1291262581 /nfs/dbraw/zinc/26/25/81/1291262581.db2.gz DAWQVNXMUGFDKK-HXUWFJFHSA-N 1 0 332.488 2.775 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](O)c1ccccc1 ZINC000877535168 1291265749 /nfs/dbraw/zinc/26/57/49/1291265749.db2.gz KBVMWZWUQBGFND-IIBYNOLFSA-N 1 0 340.467 2.859 20 10 EFCDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)c1 ZINC000877542815 1291267876 /nfs/dbraw/zinc/26/78/76/1291267876.db2.gz SIKGRIDWGCJTKT-LJQANCHMSA-N 1 0 340.471 2.600 20 10 EFCDRO OC1CCN(c2ccc(C[N@@H+]3CCOC[C@@H](C4CCC4)C3)cc2)CC1 ZINC000877545272 1291269060 /nfs/dbraw/zinc/26/90/60/1291269060.db2.gz DYHIKUALHPMKIK-IBGZPJMESA-N 1 0 344.499 2.896 20 10 EFCDRO C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C2)C1 ZINC000877552077 1291272646 /nfs/dbraw/zinc/27/26/46/1291272646.db2.gz PTFNEOHMHUJFBS-OAQYLSRUSA-N 1 0 343.515 2.565 20 10 EFCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000877563919 1291277791 /nfs/dbraw/zinc/27/77/91/1291277791.db2.gz QLYDODNCBKTBEO-SFHVURJKSA-N 1 0 341.455 2.830 20 10 EFCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)nc1C ZINC000877582920 1291282249 /nfs/dbraw/zinc/28/22/49/1291282249.db2.gz CTFORBHDYUPJLZ-UHFFFAOYSA-N 1 0 325.456 2.949 20 10 EFCDRO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877621901 1291295717 /nfs/dbraw/zinc/29/57/17/1291295717.db2.gz BSBMNXBQDCYXNT-KRWDZBQOSA-N 1 0 331.504 2.610 20 10 EFCDRO Oc1cccc2c1CC[N@@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000877658389 1291314255 /nfs/dbraw/zinc/31/42/55/1291314255.db2.gz QLIPWTXHYUIIIB-UHFFFAOYSA-N 1 0 338.451 2.912 20 10 EFCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)CC1(C)OCCO1 ZINC000877670271 1291323235 /nfs/dbraw/zinc/32/32/35/1291323235.db2.gz NNWJSUMOFVDPSW-MRXNPFEDSA-N 1 0 348.487 2.527 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCCN(C(=O)CC(C)C)CC2)c1 ZINC000877775242 1291371078 /nfs/dbraw/zinc/37/10/78/1291371078.db2.gz WJFIKXUTRCRFJR-UHFFFAOYSA-N 1 0 334.460 2.871 20 10 EFCDRO O[C@@H](CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000877779541 1291374422 /nfs/dbraw/zinc/37/44/22/1291374422.db2.gz XYRLQRZTILKPMS-FQEVSTJZSA-N 1 0 332.488 2.679 20 10 EFCDRO C[N@H+](CCCOC(F)(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000877922414 1291417428 /nfs/dbraw/zinc/41/74/28/1291417428.db2.gz CWQLLXDNWFYSHG-UHFFFAOYSA-N 1 0 332.366 2.882 20 10 EFCDRO CCOc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(O)c1 ZINC000775180548 1291425109 /nfs/dbraw/zinc/42/51/09/1291425109.db2.gz ZSBWTSZQPJMFLL-UHFFFAOYSA-N 1 0 342.355 2.865 20 10 EFCDRO CCN(CC)c1ccc(CN(C)C(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000826020334 1291483142 /nfs/dbraw/zinc/48/31/42/1291483142.db2.gz RIIVQVYEMHQUTL-MRXNPFEDSA-N 1 0 335.517 2.586 20 10 EFCDRO COC[C@@H]1CC[N@H+](Cc2cc(Br)c(OC)cc2O)C1 ZINC001233134658 1312862885 /nfs/dbraw/zinc/86/28/85/1312862885.db2.gz AMLFXVMPGJGPRS-SNVBAGLBSA-N 1 0 330.222 2.632 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)cc1Br ZINC001233134861 1312863138 /nfs/dbraw/zinc/86/31/38/1312863138.db2.gz GJOCPHQJZSJIMQ-BMIGLBTASA-N 1 0 344.249 2.756 20 10 EFCDRO CCN(Cc1cc(Br)c(OC)cc1O)[C@@H](C)C(=O)OC ZINC001233141483 1312864649 /nfs/dbraw/zinc/86/46/49/1312864649.db2.gz IHQVXXQPZKRZRN-VIFPVBQESA-N 1 0 346.221 2.547 20 10 EFCDRO COc1cc(O)c(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1Br ZINC001233140340 1312864679 /nfs/dbraw/zinc/86/46/79/1312864679.db2.gz FBGCVQVOBBSDQW-PHIMTYICSA-N 1 0 343.265 2.688 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)NCc2cnc(C)s2)c1 ZINC000878360147 1291645725 /nfs/dbraw/zinc/64/57/25/1291645725.db2.gz HYLRXBRWUXHUJC-LLVKDONJSA-N 1 0 349.456 2.523 20 10 EFCDRO COC(=O)C1(Nc2ccc(-n3c(C)ccc3C)cc2)CC[NH2+]CC1 ZINC001166947234 1312870495 /nfs/dbraw/zinc/87/04/95/1312870495.db2.gz HKDKRLWCADOGPA-UHFFFAOYSA-N 1 0 327.428 2.801 20 10 EFCDRO CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000127223683 1291726680 /nfs/dbraw/zinc/72/66/80/1291726680.db2.gz VRTOSCRBXFCDDU-SJORKVTESA-N 1 0 347.503 2.648 20 10 EFCDRO CCOC(=O)c1c(C[NH+]2CCC3(COC3)CC2)c2ccccc2n1C ZINC001233270762 1312889763 /nfs/dbraw/zinc/88/97/63/1312889763.db2.gz ZROQDHWXBBBGHT-UHFFFAOYSA-N 1 0 342.439 2.967 20 10 EFCDRO CCOC(=O)c1c(CN(C)CCC[NH+](C)C)c2ccccc2n1C ZINC001233270709 1312889962 /nfs/dbraw/zinc/88/99/62/1312889962.db2.gz XLWXIFOSKFSVCO-UHFFFAOYSA-N 1 0 331.460 2.739 20 10 EFCDRO CCOC(=O)c1c(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c2ccccc2n1C ZINC001233270595 1312890055 /nfs/dbraw/zinc/89/00/55/1312890055.db2.gz SPKTTWKKNXULJI-WBVHZDCISA-N 1 0 348.418 2.650 20 10 EFCDRO CCOC(=O)c1c(C[N@H+](CCCO)C(C)C)c2ccccc2n1C ZINC001233272199 1312890199 /nfs/dbraw/zinc/89/01/99/1312890199.db2.gz BPIUVWITLHAENV-UHFFFAOYSA-N 1 0 332.444 2.948 20 10 EFCDRO CCOC(=O)c1c(CN2CC[NH+](C(C)C)CC2)c2ccccc2n1C ZINC001233270616 1312890250 /nfs/dbraw/zinc/89/02/50/1312890250.db2.gz UBQCHRIIESMMGG-UHFFFAOYSA-N 1 0 343.471 2.881 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@H](O)[C@H](C)C2)c2ccccc2n1C ZINC001233270640 1312890515 /nfs/dbraw/zinc/89/05/15/1312890515.db2.gz VBDZILANTRWSEF-KDOFPFPSSA-N 1 0 344.455 2.948 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCCO[C@@H](C)C2)c2ccccc2n1C ZINC001233270314 1312890522 /nfs/dbraw/zinc/89/05/22/1312890522.db2.gz JAUHFRYHUGYZOQ-AWEZNQCLSA-N 1 0 330.428 2.966 20 10 EFCDRO CCOC(=O)c1c(CN(C)Cc2ccno2)c2ccccc2n1C ZINC001233273187 1312890692 /nfs/dbraw/zinc/89/06/92/1312890692.db2.gz RCKDGFSASNXQLC-UHFFFAOYSA-N 1 0 327.384 2.975 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@@H](C)OC[C@@H]2C)c2ccccc2n1C ZINC001233272921 1312890754 /nfs/dbraw/zinc/89/07/54/1312890754.db2.gz HELRCXUQNFDCFB-UONOGXRCSA-N 1 0 330.428 2.964 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@H]3CC[C@@H](C2)C3=O)c2ccccc2n1C ZINC001233272637 1312891139 /nfs/dbraw/zinc/89/11/39/1312891139.db2.gz TUZAHRYFRUELLC-OKILXGFUSA-N 1 0 340.423 2.766 20 10 EFCDRO CCOC(=O)c1c(CN2CC3(CSC3)C2)c2ccccc2n1C ZINC001233273105 1312891345 /nfs/dbraw/zinc/89/13/45/1312891345.db2.gz OALFFIZTYXYHSS-UHFFFAOYSA-N 1 0 330.453 2.904 20 10 EFCDRO CC(C)(C)c1ccc(O)c(CN2CCO[C@@H](C[NH+]3CCCC3)C2)c1 ZINC001233287517 1312896069 /nfs/dbraw/zinc/89/60/69/1312896069.db2.gz UINUZSKVQUUBAE-SFHVURJKSA-N 1 0 332.488 2.986 20 10 EFCDRO COc1cc(Cl)cc(C[N@H+](C(C)C)[C@@H]2CCN(C(C)=O)C2)c1O ZINC001233290447 1312896133 /nfs/dbraw/zinc/89/61/33/1312896133.db2.gz CUCDQWWQULBGKT-OAHLLOKOSA-N 1 0 340.851 2.885 20 10 EFCDRO COc1cc(Cl)cc(C[NH+]2CCC(N3CC(F)(F)C3)CC2)c1O ZINC001233290380 1312896146 /nfs/dbraw/zinc/89/61/46/1312896146.db2.gz ZQFYLKWGTULBHJ-UHFFFAOYSA-N 1 0 346.805 2.970 20 10 EFCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)cc1Cl ZINC000826099897 1292011001 /nfs/dbraw/zinc/01/10/01/1292011001.db2.gz JGSNFUFAFNHPJV-ZDUSSCGKSA-N 1 0 325.840 2.590 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](Oc3ncccn3)C2)c1O ZINC001233291377 1312897292 /nfs/dbraw/zinc/89/72/92/1312897292.db2.gz YDZRVNKBABOCEG-AWEZNQCLSA-N 1 0 349.818 2.888 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](Oc3nccnc3C)C2)c1O ZINC001233291191 1312897589 /nfs/dbraw/zinc/89/75/89/1312897589.db2.gz PQNZWUWZSCCERI-CQSZACIVSA-N 1 0 349.818 2.806 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)NCCc2ccccc2)c1 ZINC000775372505 1292102306 /nfs/dbraw/zinc/10/23/06/1292102306.db2.gz CRCZPVPGVBWCOK-CABCVRRESA-N 1 0 342.439 2.799 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(CC(F)(F)F)C(C)C)c1 ZINC000775376696 1292124462 /nfs/dbraw/zinc/12/44/62/1292124462.db2.gz YCAGHFVXDFKSHB-NSHDSACASA-N 1 0 348.365 2.851 20 10 EFCDRO COc1ccc(N2CC[NH+](CCCCCCCO)CC2)c(OC)c1 ZINC000879462991 1292145759 /nfs/dbraw/zinc/14/57/59/1292145759.db2.gz YCAGANOQJCAZOK-UHFFFAOYSA-N 1 0 336.476 2.769 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)NCCOc1ccc(Cl)cc1)c1ccccc1O ZINC000879647946 1292217178 /nfs/dbraw/zinc/21/71/78/1292217178.db2.gz RUPDURUPAVIFCL-CYBMUJFWSA-N 1 0 348.830 2.891 20 10 EFCDRO CCOCc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879648377 1292217664 /nfs/dbraw/zinc/21/76/64/1292217664.db2.gz LZCNWFHAPIVWOG-OAHLLOKOSA-N 1 0 342.439 2.896 20 10 EFCDRO COCc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648254 1292218312 /nfs/dbraw/zinc/21/83/12/1292218312.db2.gz GUHFWDHTRPLFRV-CQSZACIVSA-N 1 0 328.412 2.506 20 10 EFCDRO CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648235 1292218828 /nfs/dbraw/zinc/21/88/28/1292218828.db2.gz FXRKOFHUPZPCBF-CYBMUJFWSA-N 1 0 342.395 2.858 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1O ZINC000879649002 1292218972 /nfs/dbraw/zinc/21/89/72/1292218972.db2.gz IULULUGSBWKNGU-OAHLLOKOSA-N 1 0 341.455 2.767 20 10 EFCDRO CC[C@H]([NH2+]CC(=O)NCCc1ccccc1OC)c1ccccc1O ZINC000775414557 1292337256 /nfs/dbraw/zinc/33/72/56/1292337256.db2.gz IACMXHFBRCQASF-KRWDZBQOSA-N 1 0 342.439 2.800 20 10 EFCDRO Cc1cc(CN2CCC[C@H]([NH2+]C3CCOCC3)C2)ccc1N(C)C ZINC000880206263 1292413857 /nfs/dbraw/zinc/41/38/57/1292413857.db2.gz FDBPDQSDYXSFDC-IBGZPJMESA-N 1 0 331.504 2.794 20 10 EFCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001233454886 1312935307 /nfs/dbraw/zinc/93/53/07/1312935307.db2.gz NQTYGCOJSMQAIN-ZDUSSCGKSA-N 1 0 326.322 2.840 20 10 EFCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001233455217 1312936210 /nfs/dbraw/zinc/93/62/10/1312936210.db2.gz BBYJUWSTSGZHGI-CYBMUJFWSA-N 1 0 326.322 2.840 20 10 EFCDRO C[C@@H]1CN(Cc2cc(O)c(O)cc2O)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001233482448 1312939887 /nfs/dbraw/zinc/93/98/87/1312939887.db2.gz NZUHUBDPDPMUSH-CABCVRRESA-N 1 0 342.439 2.898 20 10 EFCDRO O=C(c1ccccc1)C1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233482504 1312939913 /nfs/dbraw/zinc/93/99/13/1312939913.db2.gz QCQFKPMCIZWRIS-UHFFFAOYSA-N 1 0 327.380 2.898 20 10 EFCDRO COc1ccccc1OC1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233486157 1312940423 /nfs/dbraw/zinc/94/04/23/1312940423.db2.gz ARXBPDJIYKXLQR-UHFFFAOYSA-N 1 0 345.395 2.855 20 10 EFCDRO C[C@H](c1ccccc1)[NH+]1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233485593 1312940430 /nfs/dbraw/zinc/94/04/30/1312940430.db2.gz CGFJRXGPHAATTB-CQSZACIVSA-N 1 0 328.412 2.682 20 10 EFCDRO Cc1cccnc1O[C@@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486806 1312940579 /nfs/dbraw/zinc/94/05/79/1312940579.db2.gz CXJLCFSFBOQRJY-CQSZACIVSA-N 1 0 330.384 2.550 20 10 EFCDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796256927 1292650036 /nfs/dbraw/zinc/65/00/36/1292650036.db2.gz JWNCKDAYRONKFD-INIZCTEOSA-N 1 0 337.467 2.864 20 10 EFCDRO CC[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cc(Cl)ccc1O ZINC000775497792 1292753594 /nfs/dbraw/zinc/75/35/94/1292753594.db2.gz ULYPUZBFFZBOGL-GXTWGEPZSA-N 1 0 346.880 2.510 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001203553053 1312955174 /nfs/dbraw/zinc/95/51/74/1312955174.db2.gz ZPCDOQKENSGGAZ-QWFCFKBJSA-N 1 0 340.423 2.988 20 10 EFCDRO Oc1ccccc1C[NH+]1CCC2(C[C@@H](c3cncnc3)CO2)CC1 ZINC001203551554 1312953895 /nfs/dbraw/zinc/95/38/95/1312953895.db2.gz IAQZUHVJBYCDHN-MRXNPFEDSA-N 1 0 325.412 2.721 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001203552243 1312954055 /nfs/dbraw/zinc/95/40/55/1312954055.db2.gz GADMBYIATGWHEB-ZBFHGGJFSA-N 1 0 329.469 2.945 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC001203551772 1312954372 /nfs/dbraw/zinc/95/43/72/1312954372.db2.gz NHAQXYDOXDVDRO-DFQSSKMNSA-N 1 0 347.455 2.567 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001203555514 1312954999 /nfs/dbraw/zinc/95/49/99/1312954999.db2.gz BOZDXFCVHUUGDA-YLJYHZDGSA-N 1 0 340.423 2.990 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccccc1O ZINC000775527905 1292892176 /nfs/dbraw/zinc/89/21/76/1292892176.db2.gz VZWYQZPSWZZCCH-MRXNPFEDSA-N 1 0 331.437 2.963 20 10 EFCDRO COc1cccc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)c1O ZINC001203593681 1312965803 /nfs/dbraw/zinc/96/58/03/1312965803.db2.gz PHHLAMQPCMAHPX-UHFFFAOYSA-N 1 0 325.412 2.669 20 10 EFCDRO COc1ccc(CC[N@@H+](Cc2cccc(OC)c2O)C[C@H](C)O)cc1 ZINC001203585755 1312963227 /nfs/dbraw/zinc/96/32/27/1312963227.db2.gz TWRTWVALWHQDGI-HNNXBMFYSA-N 1 0 345.439 2.835 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1O ZINC001203590009 1312964837 /nfs/dbraw/zinc/96/48/37/1312964837.db2.gz QLIOPXGPFPXSJG-LSDHHAIUSA-N 1 0 348.443 2.985 20 10 EFCDRO COc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)NC3CCC3)CC2)c1O ZINC001203594161 1312965620 /nfs/dbraw/zinc/96/56/20/1312965620.db2.gz TULMDMKQMNRAFY-MRXNPFEDSA-N 1 0 344.455 2.672 20 10 EFCDRO COc1cccc(C[NH+]2CCC(Oc3ccc(Cl)nn3)CC2)c1O ZINC001203599605 1312967636 /nfs/dbraw/zinc/96/76/36/1312967636.db2.gz JMCCVLDMLVMRIW-UHFFFAOYSA-N 1 0 349.818 2.888 20 10 EFCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001203603271 1312967993 /nfs/dbraw/zinc/96/79/93/1312967993.db2.gz MGTJXUZLJHAAOZ-MIFYACCESA-N 1 0 348.443 2.746 20 10 EFCDRO COc1cccc(OC2CC[NH+](Cc3cccc(OC)c3O)CC2)n1 ZINC001203601958 1312968022 /nfs/dbraw/zinc/96/80/22/1312968022.db2.gz SRUNGNHRTDCNAZ-UHFFFAOYSA-N 1 0 344.411 2.848 20 10 EFCDRO COc1ccc(O[C@H]2CCC[N@H+](Cc3cccc(OC)c3O)C2)nc1 ZINC001203601944 1312968058 /nfs/dbraw/zinc/96/80/58/1312968058.db2.gz SGKQPWCQRCEIIR-INIZCTEOSA-N 1 0 344.411 2.848 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)c1O ZINC001203609979 1312970266 /nfs/dbraw/zinc/97/02/66/1312970266.db2.gz QFYWMPMXVJCCAA-YLJYHZDGSA-N 1 0 347.455 2.951 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c1O ZINC001203609976 1312970521 /nfs/dbraw/zinc/97/05/21/1312970521.db2.gz QFYWMPMXVJCCAA-FXAWDEMLSA-N 1 0 347.455 2.951 20 10 EFCDRO C[C@@H]1CC/C(=C\C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881850752 1293028376 /nfs/dbraw/zinc/02/83/76/1293028376.db2.gz FJXCZMDQVUXWBS-WDMNMGCXSA-N 1 0 327.472 2.801 20 10 EFCDRO C[C@@H]1CC[C@@H](CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881850726 1293028437 /nfs/dbraw/zinc/02/84/37/1293028437.db2.gz DNIRMPLSPAISAT-SJLPKXTDSA-N 1 0 329.488 2.881 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cccc4cc[nH]c43)cc2)CC1 ZINC000881850882 1293028734 /nfs/dbraw/zinc/02/87/34/1293028734.db2.gz JJQLHOAZIKOHFA-UHFFFAOYSA-N 1 0 348.450 2.850 20 10 EFCDRO Cc1cc(C)c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000881850856 1293029067 /nfs/dbraw/zinc/02/90/67/1293029067.db2.gz IOUHBGCHFGLBDW-UHFFFAOYSA-N 1 0 327.428 2.578 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C=C(C3CC3)C3CC3)cc2)CC1 ZINC000881851736 1293029238 /nfs/dbraw/zinc/02/92/38/1293029238.db2.gz ZUSBBBZXCIDJMO-UHFFFAOYSA-N 1 0 339.483 2.801 20 10 EFCDRO C[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cccs1 ZINC000881850722 1293029395 /nfs/dbraw/zinc/02/93/95/1293029395.db2.gz DLNVWGMLFSCCQM-OAHLLOKOSA-N 1 0 343.496 2.920 20 10 EFCDRO Cc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(F)c1 ZINC000881851475 1293029644 /nfs/dbraw/zinc/02/96/44/1293029644.db2.gz VLTJEMFAHVALNS-UHFFFAOYSA-N 1 0 341.430 2.816 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCCOC(C)(C)C)cc2)CC1 ZINC000881853572 1293030239 /nfs/dbraw/zinc/03/02/39/1293030239.db2.gz AQOBVOYXYUHVRU-UHFFFAOYSA-N 1 0 347.503 2.650 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c1O ZINC001203594431 1312965983 /nfs/dbraw/zinc/96/59/83/1312965983.db2.gz ZATITLGAHCIDMG-LSDHHAIUSA-N 1 0 344.436 2.842 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)c1O ZINC001203617324 1312972488 /nfs/dbraw/zinc/97/24/88/1312972488.db2.gz NLGJAGQKRFFDPH-MRXNPFEDSA-N 1 0 332.444 2.672 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](Oc3nccnc3C)C2)c1O ZINC001203617384 1312972639 /nfs/dbraw/zinc/97/26/39/1312972639.db2.gz PGFJPRYRZHKEPZ-INIZCTEOSA-N 1 0 343.427 2.933 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3nccc(C)n3)C2)c1O ZINC001203617133 1312972651 /nfs/dbraw/zinc/97/26/51/1312972651.db2.gz IWRAYAUCJKZPMX-OAHLLOKOSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1ccc(C[NH+]2CCC(O)(Cc3ccccc3)CC2)c(O)c1 ZINC001203616920 1312972705 /nfs/dbraw/zinc/97/27/05/1312972705.db2.gz AJQXVCDXFAFKPV-UHFFFAOYSA-N 1 0 327.424 2.970 20 10 EFCDRO COc1ccc(C[N@@H+]2CCCC23CN(C(=O)OC(C)(C)C)C3)c(O)c1 ZINC001203621354 1312973234 /nfs/dbraw/zinc/97/32/34/1312973234.db2.gz BJTQTWYSULUBCW-UHFFFAOYSA-N 1 0 348.443 2.986 20 10 EFCDRO COc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NC3CCC3)CC2)c(O)c1 ZINC001203622699 1312973718 /nfs/dbraw/zinc/97/37/18/1312973718.db2.gz ANLWDHYIDPGBBI-QGZVFWFLSA-N 1 0 344.455 2.672 20 10 EFCDRO COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(OC)cc1O)C2 ZINC001203623625 1312974572 /nfs/dbraw/zinc/97/45/72/1312974572.db2.gz VJCORIAGXRQZLK-HNAYVOBHSA-N 1 0 335.444 2.808 20 10 EFCDRO COc1ccc(C[N@H+](Cc2cccnc2)C2CCOCC2)c(O)c1 ZINC001203627987 1312975447 /nfs/dbraw/zinc/97/54/47/1312975447.db2.gz UMHAUMUIERRZGG-UHFFFAOYSA-N 1 0 328.412 2.977 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@](C)(O)C2)c1O ZINC000129424440 1293090869 /nfs/dbraw/zinc/09/08/69/1293090869.db2.gz IMYHKQMYJSUGLH-CQSZACIVSA-N 1 0 330.222 2.510 20 10 EFCDRO COc1ccc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)c(O)c1 ZINC001203630939 1312976283 /nfs/dbraw/zinc/97/62/83/1312976283.db2.gz XVYBFSQIIGEUIA-UHFFFAOYSA-N 1 0 325.412 2.669 20 10 EFCDRO COC(=O)c1cccc2c1CC[N@H+](Cc1ccc(OC)cc1O)C2 ZINC001203634649 1312977366 /nfs/dbraw/zinc/97/73/66/1312977366.db2.gz PKTQALSSODLQIP-UHFFFAOYSA-N 1 0 327.380 2.746 20 10 EFCDRO COc1ccc(C[NH+]2CCC(Oc3ncc(C)cn3)CC2)c(O)c1 ZINC001203635501 1312977593 /nfs/dbraw/zinc/97/75/93/1312977593.db2.gz YPHHTHAWSQMTIK-UHFFFAOYSA-N 1 0 329.400 2.543 20 10 EFCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(OC)cc2O)C[C@H]1c1ccccc1 ZINC001203635320 1312977826 /nfs/dbraw/zinc/97/78/26/1312977826.db2.gz PNRGSYKGHQDATC-ROUUACIJSA-N 1 0 341.407 2.789 20 10 EFCDRO COc1ccc(C[NH+]2CCC(Oc3cc(C)ncn3)CC2)c(O)c1 ZINC001203635469 1312977881 /nfs/dbraw/zinc/97/78/81/1312977881.db2.gz WSPJBMRZDGXQDI-UHFFFAOYSA-N 1 0 329.400 2.543 20 10 EFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)[C@@H]1C ZINC001203645954 1312979620 /nfs/dbraw/zinc/97/96/20/1312979620.db2.gz WXVSCUGAEXUMRW-ZWNOBZJWSA-N 1 0 342.233 2.928 20 10 EFCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001203655741 1312982186 /nfs/dbraw/zinc/98/21/86/1312982186.db2.gz CADHOINOCWRBRM-QGZVFWFLSA-N 1 0 330.819 2.690 20 10 EFCDRO CC[NH+](CC)CCNC(=O)c1csc(-c2ccc(N(C)C)cc2)n1 ZINC001193161013 1293189931 /nfs/dbraw/zinc/18/99/31/1293189931.db2.gz IVPWJEWTANKEEP-UHFFFAOYSA-N 1 0 346.500 2.948 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCN(c3noc4ccccc43)CC2)c1 ZINC001203665479 1312984067 /nfs/dbraw/zinc/98/40/67/1312984067.db2.gz LRMAVGGGLUUULF-UHFFFAOYSA-N 1 0 339.395 2.864 20 10 EFCDRO O=C(NCCc1c[nH]c2cc[nH+]cc12)c1ccc(O)c(O)c1Cl ZINC001193247351 1293212941 /nfs/dbraw/zinc/21/29/41/1293212941.db2.gz VPKSSFKIBKIWSE-UHFFFAOYSA-N 1 0 331.759 2.600 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)c1 ZINC001203670292 1312985392 /nfs/dbraw/zinc/98/53/92/1312985392.db2.gz MKZWYKBHISVBTQ-UONOGXRCSA-N 1 0 337.313 2.628 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)c1 ZINC001203671539 1312985736 /nfs/dbraw/zinc/98/57/36/1312985736.db2.gz QXNGHPJBZQYZCA-SFHVURJKSA-N 1 0 347.455 2.951 20 10 EFCDRO COc1ccc(CC[N@@H+](Cc2cc(OC)ccc2O)C[C@H](C)O)cc1 ZINC001203670375 1312985848 /nfs/dbraw/zinc/98/58/48/1312985848.db2.gz PWKWAWUSKBEFBS-HNNXBMFYSA-N 1 0 345.439 2.835 20 10 EFCDRO Oc1c(CN2CC[C@H]([NH+]3CCCC3)C2)cccc1OC(F)(F)F ZINC001233761532 1312986152 /nfs/dbraw/zinc/98/61/52/1312986152.db2.gz VENZKFOSILESKD-ZDUSSCGKSA-N 1 0 330.350 2.961 20 10 EFCDRO O=C1CCC2(CC[NH+](Cc3cccc(OC(F)(F)F)c3O)CC2)O1 ZINC001233761332 1312986316 /nfs/dbraw/zinc/98/63/16/1312986316.db2.gz RKVIORAABZEMOI-UHFFFAOYSA-N 1 0 345.317 2.962 20 10 EFCDRO CCOCc1ncn2c1C[N@H+](Cc1cc(OC)ccc1O)CCC2 ZINC001203673146 1312986419 /nfs/dbraw/zinc/98/64/19/1312986419.db2.gz OQHKLNAOASFZQZ-UHFFFAOYSA-N 1 0 331.416 2.540 20 10 EFCDRO COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(OC)ccc1O)C2 ZINC001203673465 1312986727 /nfs/dbraw/zinc/98/67/27/1312986727.db2.gz ZQXQKPMVFXBVNK-HNAYVOBHSA-N 1 0 335.444 2.808 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c1 ZINC001203675017 1312987005 /nfs/dbraw/zinc/98/70/05/1312987005.db2.gz HVCFMRHJDBSWOP-PKOBYXMFSA-N 1 0 333.428 2.561 20 10 EFCDRO Oc1c(C[N@@H+]2CCOC3(CCOCC3)C2)cccc1OC(F)(F)F ZINC001233768333 1312987841 /nfs/dbraw/zinc/98/78/41/1312987841.db2.gz PJRMJTPSQPNEDB-UHFFFAOYSA-N 1 0 347.333 2.672 20 10 EFCDRO C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001233768137 1312987857 /nfs/dbraw/zinc/98/78/57/1312987857.db2.gz KPNGNUBMIJBTRA-IUODEOHRSA-N 1 0 330.350 2.674 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(C)(C(=O)N3CCCC3)CC2)c1 ZINC001203678286 1312988020 /nfs/dbraw/zinc/98/80/20/1312988020.db2.gz JQLKOUGZFVVWOH-UHFFFAOYSA-N 1 0 332.444 2.625 20 10 EFCDRO Cc1ccnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1[N+](=O)[O-] ZINC000882880337 1293366490 /nfs/dbraw/zinc/36/64/90/1293366490.db2.gz MVZPVADQOPQJNU-UHFFFAOYSA-N 1 0 341.415 2.662 20 10 EFCDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncc1[N+](=O)[O-] ZINC000882880523 1293366802 /nfs/dbraw/zinc/36/68/02/1293366802.db2.gz WUQPOHCLHGKUQU-UHFFFAOYSA-N 1 0 341.415 2.662 20 10 EFCDRO C[NH+](C)CCOc1cccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000882898665 1293376243 /nfs/dbraw/zinc/37/62/43/1293376243.db2.gz QRKSFUDZGUHQLK-UHFFFAOYSA-N 1 0 336.382 2.901 20 10 EFCDRO CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@@H](C)C1 ZINC000883003160 1293424716 /nfs/dbraw/zinc/42/47/16/1293424716.db2.gz BCFAZLDMHLLXNW-GUYCJALGSA-N 1 0 342.430 2.897 20 10 EFCDRO CCOC(=O)N(C)C1CC[NH+](Cc2cccc(OCC)c2O)CC1 ZINC000130847006 1293443537 /nfs/dbraw/zinc/44/35/37/1293443537.db2.gz WMQOBLVBLVKGDD-UHFFFAOYSA-N 1 0 336.432 2.844 20 10 EFCDRO CC[C@@H](C)[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883195808 1293501663 /nfs/dbraw/zinc/50/16/63/1293501663.db2.gz CPZLQGNHGUPLAI-CVEARBPZSA-N 1 0 332.492 2.672 20 10 EFCDRO CC[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)cc(O)cc1O ZINC001273671191 1293547762 /nfs/dbraw/zinc/54/77/62/1293547762.db2.gz XVVKESCAVALKME-ORAYPTAESA-N 1 0 348.443 2.559 20 10 EFCDRO C[N@H+](C/C=C/Cl)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194374046 1293602636 /nfs/dbraw/zinc/60/26/36/1293602636.db2.gz BKPJNSXHTMVMOZ-JRVQNELISA-N 1 0 349.822 2.748 20 10 EFCDRO CC[C@@H](C)OC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001195136079 1293817862 /nfs/dbraw/zinc/81/78/62/1293817862.db2.gz CLXWBROYEYJSJG-MRXNPFEDSA-N 1 0 349.475 2.732 20 10 EFCDRO CC(C)c1scnc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000884009826 1293872854 /nfs/dbraw/zinc/87/28/54/1293872854.db2.gz JBNLYRUOUISTQI-CQSZACIVSA-N 1 0 332.473 2.762 20 10 EFCDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(O)c(O)c3)CC[C@@H]2C1 ZINC001203875619 1313038706 /nfs/dbraw/zinc/03/87/06/1313038706.db2.gz RZPJSKYOFUNJDR-CABCVRRESA-N 1 0 348.443 2.787 20 10 EFCDRO Oc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)cc1O ZINC001203877043 1313038790 /nfs/dbraw/zinc/03/87/90/1313038790.db2.gz BDPAJVGBBRJMEE-QFBILLFUSA-N 1 0 333.428 2.648 20 10 EFCDRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203878080 1313038868 /nfs/dbraw/zinc/03/88/68/1313038868.db2.gz ATKGLRIWTJYXIW-AWEZNQCLSA-N 1 0 336.432 2.835 20 10 EFCDRO Oc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)cc1O ZINC001203876661 1313039122 /nfs/dbraw/zinc/03/91/22/1313039122.db2.gz HBMCRYNVINRPNV-GJZGRUSLSA-N 1 0 345.468 2.651 20 10 EFCDRO Oc1ccc(C[N@@H+]2CCc3ncnc(-c4cccnc4)c3CC2)cc1O ZINC001203876576 1313039292 /nfs/dbraw/zinc/03/92/92/1313039292.db2.gz FYVSRZZVXQKIHB-UHFFFAOYSA-N 1 0 348.406 2.551 20 10 EFCDRO Oc1ccc(C[NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)cc1O ZINC001203877818 1313039302 /nfs/dbraw/zinc/03/93/02/1313039302.db2.gz KYIPZWPQVXHZFR-INIZCTEOSA-N 1 0 333.428 2.648 20 10 EFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(O)c(O)c2)N1c1ccccc1 ZINC001203876400 1313039341 /nfs/dbraw/zinc/03/93/41/1313039341.db2.gz CWDKSSHEXMXLJS-IAGOWNOFSA-N 1 0 338.407 2.868 20 10 EFCDRO CN(C[C@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1)C(=O)OC(C)(C)C ZINC001203879265 1313039651 /nfs/dbraw/zinc/03/96/51/1313039651.db2.gz HPMCEHFKGJZNTG-CQSZACIVSA-N 1 0 336.432 2.787 20 10 EFCDRO O=C1c2ccccc2CN1C1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203880963 1313040285 /nfs/dbraw/zinc/04/02/85/1313040285.db2.gz KMDHQBASJOXOIO-UHFFFAOYSA-N 1 0 338.407 2.718 20 10 EFCDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@H]21 ZINC001203883645 1313040487 /nfs/dbraw/zinc/04/04/87/1313040487.db2.gz LDXROIWQYJCUAU-RRFJBIMHSA-N 1 0 348.443 2.833 20 10 EFCDRO O=C(NC1CC[NH+](Cc2ccc(O)c(O)c2)CC1)c1cccc(F)c1 ZINC001203881967 1313040904 /nfs/dbraw/zinc/04/09/04/1313040904.db2.gz YWPCVFCFMVWHNM-UHFFFAOYSA-N 1 0 344.386 2.631 20 10 EFCDRO CCn1ncc2c1[C@@H](COC)C[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001203931211 1313049401 /nfs/dbraw/zinc/04/94/01/1313049401.db2.gz CZNWWJDRGPISPC-QGZVFWFLSA-N 1 0 328.460 2.715 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)cc1 ZINC001203931645 1313049650 /nfs/dbraw/zinc/04/96/50/1313049650.db2.gz KQHGTNZRVVTINS-XUVXKRRUSA-N 1 0 330.472 2.911 20 10 EFCDRO Cc1noc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccc(N(C)C)cc4)C[C@H]3O2)n1 ZINC001203932146 1313049847 /nfs/dbraw/zinc/04/98/47/1313049847.db2.gz TZVUBCLQZCAWOF-CGTJXYLNSA-N 1 0 342.443 2.796 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)cc1 ZINC001203931927 1313049939 /nfs/dbraw/zinc/04/99/39/1313049939.db2.gz YQLIEVGOEJOGSJ-HUUCEWRRSA-N 1 0 334.357 2.980 20 10 EFCDRO CN(C)c1ccc(C[NH+]2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001203932150 1313050129 /nfs/dbraw/zinc/05/01/29/1313050129.db2.gz UCLCVQQWYYMDQI-OALUTQOASA-N 1 0 336.483 2.711 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)cc1 ZINC001203933142 1313050794 /nfs/dbraw/zinc/05/07/94/1313050794.db2.gz HWJFEVXDMIHIBL-WOJBJXKFSA-N 1 0 330.472 2.913 20 10 EFCDRO COc1ccc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)nc1 ZINC001203936761 1313051005 /nfs/dbraw/zinc/05/10/05/1313051005.db2.gz MSNVSOPGEZFNGD-SFHVURJKSA-N 1 0 327.428 2.810 20 10 EFCDRO Cc1nccnc1O[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203937600 1313051356 /nfs/dbraw/zinc/05/13/56/1313051356.db2.gz ZGMDDBCOJMOIMB-GOSISDBHSA-N 1 0 326.444 2.894 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)c3ccccn3)CC2)cc1 ZINC001203937396 1313051604 /nfs/dbraw/zinc/05/16/04/1313051604.db2.gz POVXCVWGKLLRRY-UHFFFAOYSA-N 1 0 338.455 2.542 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)OC(=O)c2ccncc23)cc1 ZINC001203937085 1313051609 /nfs/dbraw/zinc/05/16/09/1313051609.db2.gz JXKWJOIFRGKQOP-UHFFFAOYSA-N 1 0 337.423 2.809 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCC(N3CCOCC3)CC2)cc1 ZINC001203937311 1313051690 /nfs/dbraw/zinc/05/16/90/1313051690.db2.gz USRIUKFOFOOTLN-UHFFFAOYSA-N 1 0 331.504 2.829 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)NC(=O)OC(C)(C)C)cc1 ZINC001203937389 1313051846 /nfs/dbraw/zinc/05/18/46/1313051846.db2.gz PGFWPHXUJSTWQE-INIZCTEOSA-N 1 0 347.459 2.768 20 10 EFCDRO Cc1cncnc1OC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC001203937555 1313051977 /nfs/dbraw/zinc/05/19/77/1313051977.db2.gz WUQUPNBYSYANLX-UHFFFAOYSA-N 1 0 326.444 2.894 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)cc1 ZINC001203936659 1313052040 /nfs/dbraw/zinc/05/20/40/1313052040.db2.gz IYSWFAPKULONLT-RDJZCZTQSA-N 1 0 331.460 2.804 20 10 EFCDRO CCNC(=O)COC1CC[NH+](Cc2ccc(N(CC)CC)cc2)CC1 ZINC001203946601 1313052983 /nfs/dbraw/zinc/05/29/83/1313052983.db2.gz XEUGPUGYEHJBAH-UHFFFAOYSA-N 1 0 347.503 2.650 20 10 EFCDRO CC(=O)Oc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001203955648 1313054924 /nfs/dbraw/zinc/05/49/24/1313054924.db2.gz WVXCTJDXJLUTQH-UHFFFAOYSA-N 1 0 327.380 2.972 20 10 EFCDRO CC[N@H+](CCNC(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)C ZINC000102479887 1294252917 /nfs/dbraw/zinc/25/29/17/1294252917.db2.gz NRNHIATXVPFODI-UHFFFAOYSA-N 1 0 328.460 2.949 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCC([NH2+]C/C=C\Cl)CC2)cc1 ZINC001203999125 1313062117 /nfs/dbraw/zinc/06/21/17/1313062117.db2.gz MRUAAKDWLCKJQY-PTLFCZQLSA-N 1 0 349.822 2.796 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1OC ZINC000775724384 1294271525 /nfs/dbraw/zinc/27/15/25/1294271525.db2.gz BQBJXJUUHMHDET-OAHLLOKOSA-N 1 0 349.349 2.545 20 10 EFCDRO CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001016992060 1313076243 /nfs/dbraw/zinc/07/62/43/1313076243.db2.gz FSSJHWJDHWEOLK-HNNXBMFYSA-N 1 0 343.431 2.843 20 10 EFCDRO C[C@H]1CCN(Cc2ccc(O)c(O)c2)CCN1C(=O)OC(C)(C)C ZINC001203875509 1294517308 /nfs/dbraw/zinc/51/73/08/1294517308.db2.gz OEVVXCLCQCKEQM-ZDUSSCGKSA-N 1 0 336.432 2.929 20 10 EFCDRO C[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)[NH+]1CCCCCC1 ZINC000303537138 1294540360 /nfs/dbraw/zinc/54/03/60/1294540360.db2.gz IUIGBNOVTKZSIH-INIZCTEOSA-N 1 0 329.488 2.950 20 10 EFCDRO CC(C)NC(=O)N1CC2(C1)C[NH+](Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001276444022 1313090066 /nfs/dbraw/zinc/09/00/66/1313090066.db2.gz BTPZRVMOAVTGIH-UHFFFAOYSA-N 1 0 345.487 2.925 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]C[C@@](C)(O)C(C)C)c1O ZINC000304063068 1294658095 /nfs/dbraw/zinc/65/80/95/1294658095.db2.gz RHSARMWAVZYGEH-CQSZACIVSA-N 1 0 332.238 2.660 20 10 EFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000886241109 1294784778 /nfs/dbraw/zinc/78/47/78/1294784778.db2.gz ONWZDIYZOONIQW-ZKTXZKFHSA-N 1 0 340.467 2.687 20 10 EFCDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204240185 1313106980 /nfs/dbraw/zinc/10/69/80/1313106980.db2.gz KNKWEQKIQWAHCK-IBGZPJMESA-N 1 0 325.456 2.958 20 10 EFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]C[C@@H]3CC=CCC3)cc2)CC1 ZINC000886325353 1294856288 /nfs/dbraw/zinc/85/62/88/1294856288.db2.gz CFRTXZYWCGOIDC-MRXNPFEDSA-N 1 0 327.472 2.834 20 10 EFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3cccs3)cc2)CC1 ZINC000886325391 1294856791 /nfs/dbraw/zinc/85/67/91/1294856791.db2.gz DNSWAGVCDKVSOT-UHFFFAOYSA-N 1 0 329.469 2.740 20 10 EFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]C[C@H]3CC=CCC3)cc2)CC1 ZINC000886325352 1294856800 /nfs/dbraw/zinc/85/68/00/1294856800.db2.gz CFRTXZYWCGOIDC-INIZCTEOSA-N 1 0 327.472 2.834 20 10 EFCDRO CC(=O)N1CCC([NH2+]Cc2cc(Br)cc(C)c2O)CC1 ZINC000775817018 1294871048 /nfs/dbraw/zinc/87/10/48/1294871048.db2.gz DTQPIYUOCKHCIY-UHFFFAOYSA-N 1 0 341.249 2.564 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000775829949 1294921230 /nfs/dbraw/zinc/92/12/30/1294921230.db2.gz BIICNPPOJGRZQX-MRXNPFEDSA-N 1 0 337.467 2.988 20 10 EFCDRO Oc1ccc(C[N@@H+]2CCCn3cnc(Cn4cccc4)c3C2)c(O)c1 ZINC001204273709 1313113136 /nfs/dbraw/zinc/11/31/36/1313113136.db2.gz GBQUGPWKGBECCH-UHFFFAOYSA-N 1 0 338.411 2.550 20 10 EFCDRO Cc1ccc2nc(C3CC[NH+](Cc4ccc(O)cc4O)CC3)nn2c1 ZINC001204274263 1313113412 /nfs/dbraw/zinc/11/34/12/1313113412.db2.gz LGQUXCTUWIHKDF-UHFFFAOYSA-N 1 0 338.411 2.829 20 10 EFCDRO CC(C)OCc1ncn2c1C[N@H+](Cc1ccc(O)cc1O)CCC2 ZINC001204274666 1313113577 /nfs/dbraw/zinc/11/35/77/1313113577.db2.gz FIKPZCJLLSGYJL-UHFFFAOYSA-N 1 0 331.416 2.625 20 10 EFCDRO CC(C)(C)OC(=O)N[C@@H]1CCCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204276313 1313114040 /nfs/dbraw/zinc/11/40/40/1313114040.db2.gz KDBRIQAUWRRTJN-CQSZACIVSA-N 1 0 336.432 2.977 20 10 EFCDRO CO[C@@H]1CC[N@H+](CCOc2cc(N3CCCCC3)ccc2[N+](=O)[O-])C1 ZINC001234369564 1313114609 /nfs/dbraw/zinc/11/46/09/1313114609.db2.gz TWMYUTACSVLSSY-MRXNPFEDSA-N 1 0 349.431 2.685 20 10 EFCDRO O=C(NC1CC[NH+](Cc2ccc(O)cc2O)CC1)c1cccc(F)c1 ZINC001204277601 1313115252 /nfs/dbraw/zinc/11/52/52/1313115252.db2.gz GKXQXZQFCKAUOL-UHFFFAOYSA-N 1 0 344.386 2.631 20 10 EFCDRO CC(C)(C)OC(=O)N1CCC[NH+](Cc2ccc(O)cc2O)CCC1 ZINC001204277623 1313115499 /nfs/dbraw/zinc/11/54/99/1313115499.db2.gz HCVTZEAFMZUQSG-UHFFFAOYSA-N 1 0 336.432 2.931 20 10 EFCDRO COc1ccc(N2CC[NH+](Cc3ccc(O)cc3O)CC2)c(C)c1 ZINC001204278222 1313115531 /nfs/dbraw/zinc/11/55/31/1313115531.db2.gz YZEQWNUGKMSHNO-UHFFFAOYSA-N 1 0 328.412 2.737 20 10 EFCDRO COc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775834377 1294977931 /nfs/dbraw/zinc/97/79/31/1294977931.db2.gz NECPTWRDEKJABV-HNNXBMFYSA-N 1 0 341.455 2.728 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCCC[C@](C)(O)C2)c1O ZINC001204336224 1313124793 /nfs/dbraw/zinc/12/47/93/1313124793.db2.gz HNCYXDOQAVWXQG-HNNXBMFYSA-N 1 0 344.249 2.900 20 10 EFCDRO CN(C)C1=NOC2(C1)CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204324041 1313122940 /nfs/dbraw/zinc/12/29/40/1313122940.db2.gz XFXMWDYADDGKHU-UHFFFAOYSA-N 1 0 342.487 2.917 20 10 EFCDRO c1cc(N2CCCC2)ccc1CN1CC[NH+](C2CCOCC2)CC1 ZINC001204327593 1313123353 /nfs/dbraw/zinc/12/33/53/1313123353.db2.gz ZYWHCEHSEZJRDD-UHFFFAOYSA-N 1 0 329.488 2.583 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2CO)c1O ZINC001204336330 1313125102 /nfs/dbraw/zinc/12/51/02/1313125102.db2.gz SPRTXQHGIKBODU-LBPRGKRZSA-N 1 0 330.222 2.510 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCCC[C@@H](O)C2)c1O ZINC001204336264 1313125136 /nfs/dbraw/zinc/12/51/36/1313125136.db2.gz KDLRUNUPQJSRDD-GFCCVEGCSA-N 1 0 330.222 2.510 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@]3(CCCO3)C2)c1O ZINC001204336201 1313125219 /nfs/dbraw/zinc/12/52/19/1313125219.db2.gz GRAZKOOIKUJMDX-HNNXBMFYSA-N 1 0 342.233 2.918 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c1O ZINC001204341578 1313125939 /nfs/dbraw/zinc/12/59/39/1313125939.db2.gz HDBQTXYGGFLUJI-GWCFXTLKSA-N 1 0 342.233 2.774 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](C(C)=O)C2)c1O ZINC001204343110 1313126203 /nfs/dbraw/zinc/12/62/03/1313126203.db2.gz YMDWSIGEOGEFEB-JTQLQIEISA-N 1 0 328.206 2.574 20 10 EFCDRO COc1ccc(C[N@H+](C)Cc2cc(O)c(O)c(OC)c2)cc1OC ZINC001204343589 1313126282 /nfs/dbraw/zinc/12/62/82/1313126282.db2.gz UJDPIOGQMKVOES-UHFFFAOYSA-N 1 0 333.384 2.756 20 10 EFCDRO COc1cc(C[N@@H+]2CCCN(c3cccc(C)n3)CC2)cc(O)c1O ZINC001204346508 1313127086 /nfs/dbraw/zinc/12/70/86/1313127086.db2.gz SNXJZLJZXJLCIO-UHFFFAOYSA-N 1 0 343.427 2.522 20 10 EFCDRO COc1cc(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)cc(O)c1O ZINC001204349855 1313127196 /nfs/dbraw/zinc/12/71/96/1313127196.db2.gz COJXPDGZDXWASD-IYBDPMFKSA-N 1 0 340.423 2.675 20 10 EFCDRO COc1cc(CN2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)cc(O)c1O ZINC001204346699 1313127209 /nfs/dbraw/zinc/12/72/09/1313127209.db2.gz WHQDTWJHAZXTOS-KRWDZBQOSA-N 1 0 340.423 2.521 20 10 EFCDRO CC(=O)c1cc(O)c(O)cc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001234473895 1313135869 /nfs/dbraw/zinc/13/58/69/1313135869.db2.gz LSYLZVHYBXCAIY-OAHLLOKOSA-N 1 0 327.380 2.954 20 10 EFCDRO Cc1cccc(C[N@H+]2CCC[C@@]3(CC(=O)N(CC(C)C)C3=O)C2)c1O ZINC001273769856 1295178961 /nfs/dbraw/zinc/17/89/61/1295178961.db2.gz MXIQIDMGFSUIFS-HXUWFJFHSA-N 1 0 344.455 2.698 20 10 EFCDRO COCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(C)c1O ZINC001273770487 1295198900 /nfs/dbraw/zinc/19/89/00/1295198900.db2.gz RWOUZPDMAQVNJY-FQEVSTJZSA-N 1 0 346.471 2.694 20 10 EFCDRO COC(=O)N1CCC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC001234526360 1313145725 /nfs/dbraw/zinc/14/57/25/1313145725.db2.gz UJACIEBAZRFVIN-UHFFFAOYSA-N 1 0 344.411 2.828 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@@H]4C[C@H](CO)C[C@H]43)c2c1 ZINC001234526368 1313145739 /nfs/dbraw/zinc/14/57/39/1313145739.db2.gz UWQDRVBKNGTNEC-CFSSXQINSA-N 1 0 343.423 2.526 20 10 EFCDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000775932770 1295415246 /nfs/dbraw/zinc/41/52/46/1295415246.db2.gz KNCFULJFYAXUQU-UHFFFAOYSA-N 1 0 327.428 2.559 20 10 EFCDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000304335301 1295462163 /nfs/dbraw/zinc/46/21/63/1295462163.db2.gz SAHREXHVLIHELG-FQEVSTJZSA-N 1 0 344.455 2.730 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@]4(CNC(=O)O4)C3)c2c1 ZINC001234562162 1313158266 /nfs/dbraw/zinc/15/82/66/1313158266.db2.gz IYXDRNBLLBQONL-IBGZPJMESA-N 1 0 342.395 2.628 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@]4(CNC(=O)O4)C3)c2c1 ZINC001234562166 1313158428 /nfs/dbraw/zinc/15/84/28/1313158428.db2.gz IYXDRNBLLBQONL-LJQANCHMSA-N 1 0 342.395 2.628 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCCC4(C3)OCCO4)c2c1 ZINC001234562897 1313158439 /nfs/dbraw/zinc/15/84/39/1313158439.db2.gz XDSJKTRWFOWFTK-UHFFFAOYSA-N 1 0 329.396 2.893 20 10 EFCDRO CCO[C@H](C)C(=O)N1CCC(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001204595643 1313171421 /nfs/dbraw/zinc/17/14/21/1313171421.db2.gz HODPSDJSXVWGCO-MRXNPFEDSA-N 1 0 348.487 2.757 20 10 EFCDRO CCOC(=O)[C@H]1CCC[C@@H]1Oc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001234658015 1313179304 /nfs/dbraw/zinc/17/93/04/1313179304.db2.gz QWCYYBBDVRZNJV-OALUTQOASA-N 1 0 346.471 2.939 20 10 EFCDRO CC[NH+]1CCN(c2ccc(O[C@H](C)CO[C@@H](C)COC)cc2)CC1 ZINC001234661572 1313180073 /nfs/dbraw/zinc/18/00/73/1313180073.db2.gz VDHWBJXUCKQAMX-DLBZAZTESA-N 1 0 336.476 2.647 20 10 EFCDRO C[C@@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000889660707 1295793009 /nfs/dbraw/zinc/79/30/09/1295793009.db2.gz GJKWJTHOCFGNMP-IAGOWNOFSA-N 1 0 344.503 2.768 20 10 EFCDRO CCC1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000889669487 1295795052 /nfs/dbraw/zinc/79/50/52/1295795052.db2.gz LBAJLZXBSCZWKS-UHFFFAOYSA-N 1 0 344.503 2.770 20 10 EFCDRO CC(C)[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000305109715 1295912395 /nfs/dbraw/zinc/91/23/95/1295912395.db2.gz FIVBDOWVXLZJND-CXAGYDPISA-N 1 0 326.868 2.844 20 10 EFCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000305112870 1295912662 /nfs/dbraw/zinc/91/26/62/1295912662.db2.gz DOUDMBIQHLNYHQ-ZMSDIMECSA-N 1 0 336.451 2.864 20 10 EFCDRO CN1CCC([N@H+](CCO)Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000305175402 1295967226 /nfs/dbraw/zinc/96/72/26/1295967226.db2.gz GCEFLUMZMYDUMO-UHFFFAOYSA-N 1 0 333.259 2.588 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@]12CCN(CC(F)(F)F)C2=O ZINC001274301896 1296055804 /nfs/dbraw/zinc/05/58/04/1296055804.db2.gz UMEXSVKZZWYMTP-INIZCTEOSA-N 1 0 342.361 2.830 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@]12CCN(CC(F)(F)F)C2=O ZINC001274301897 1296056064 /nfs/dbraw/zinc/05/60/64/1296056064.db2.gz UMEXSVKZZWYMTP-MRXNPFEDSA-N 1 0 342.361 2.830 20 10 EFCDRO COC(=O)C[C@H]1CN(Cc2cccc(-c3ccccc3)c2O)CCO1 ZINC001234996504 1313219276 /nfs/dbraw/zinc/21/92/76/1313219276.db2.gz HZRIOSMFTAZTJI-KRWDZBQOSA-N 1 0 341.407 2.823 20 10 EFCDRO COC(=O)CO[C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001235000933 1313220194 /nfs/dbraw/zinc/22/01/94/1313220194.db2.gz RIRLZKJLJCXLHW-KRWDZBQOSA-N 1 0 341.407 2.823 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[C@@H](C[NH2+]C)C2)c2ccccc2n1C ZINC001205015360 1313221293 /nfs/dbraw/zinc/22/12/93/1313221293.db2.gz CBWIEAUQDNFAKS-HNNXBMFYSA-N 1 0 343.471 2.786 20 10 EFCDRO OC1CCN(c2ccc(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2F)CC1 ZINC000305358484 1296163114 /nfs/dbraw/zinc/16/31/14/1296163114.db2.gz SMIFMJDVPFFWEK-IRXDYDNUSA-N 1 0 347.478 2.503 20 10 EFCDRO O=c1cccc(CN2CC3(C2)CC[NH+](Cc2ccccc2O)CC3)[nH]1 ZINC001275267435 1296247362 /nfs/dbraw/zinc/24/73/62/1296247362.db2.gz OMAVSKSESCHSCQ-UHFFFAOYSA-N 1 0 339.439 2.591 20 10 EFCDRO Cc1cc(O)c(CN2CCCCC23C[NH2+]C3)cc1Br ZINC001235105630 1313243031 /nfs/dbraw/zinc/24/30/31/1313243031.db2.gz UOFPVYLFCQRNDG-UHFFFAOYSA-N 1 0 325.250 2.791 20 10 EFCDRO COC(=O)c1c(CN2CCCC[C@]23CC[NH2+]C3)c2ccccc2n1C ZINC001235118069 1313245785 /nfs/dbraw/zinc/24/57/85/1313245785.db2.gz KTTRXDKYTAKPDY-HXUWFJFHSA-N 1 0 341.455 2.683 20 10 EFCDRO COC(=O)c1c(CN2CCCC[C@@]23CC[NH2+]C3)c2ccccc2n1C ZINC001235118068 1313246146 /nfs/dbraw/zinc/24/61/46/1313246146.db2.gz KTTRXDKYTAKPDY-FQEVSTJZSA-N 1 0 341.455 2.683 20 10 EFCDRO [O-]c1c(Br)cc(Cl)cc1CN1CC2(C1)CCC[NH2+]2 ZINC001235203126 1313262406 /nfs/dbraw/zinc/26/24/06/1313262406.db2.gz SWHAQRQQGBVALE-UHFFFAOYSA-N 1 0 331.641 2.746 20 10 EFCDRO CCOC(=O)c1c(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)c2ccccc2n1C ZINC001205317367 1313268965 /nfs/dbraw/zinc/26/89/65/1313268965.db2.gz OFYKXFYHCOXDGA-CABCVRRESA-N 1 0 343.471 2.772 20 10 EFCDRO Cc1cc(O)c(CN2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc1Cl ZINC001235231018 1313270230 /nfs/dbraw/zinc/27/02/30/1313270230.db2.gz MLHCKCZJLXJLNX-FZMZJTMJSA-N 1 0 334.769 2.938 20 10 EFCDRO Cc1cc(Cl)cc(CN2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)c1O ZINC001235233075 1313270794 /nfs/dbraw/zinc/27/07/94/1313270794.db2.gz NDYCWRVYQHAKER-FZMZJTMJSA-N 1 0 334.769 2.938 20 10 EFCDRO CCOC(=O)CC[N@H+](C)Cc1cc(F)cc(Br)c1[O-] ZINC001235304137 1313286385 /nfs/dbraw/zinc/28/63/85/1313286385.db2.gz RKFKMTLANDARKK-UHFFFAOYSA-N 1 0 334.185 2.679 20 10 EFCDRO C[N@@H+](Cc1cc(-c2ccc(F)cc2)ccc1O)C[C@H]1CNCCO1 ZINC001205537167 1313308176 /nfs/dbraw/zinc/30/81/76/1313308176.db2.gz DQNWFNCKLMDWGB-GOSISDBHSA-N 1 0 330.403 2.619 20 10 EFCDRO C[N@@H+]1CC[C@@H]1CNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000925411940 1296834779 /nfs/dbraw/zinc/83/47/79/1296834779.db2.gz RSXVEQVBEBCUIE-QGZVFWFLSA-N 1 0 331.460 2.941 20 10 EFCDRO Oc1ccc(C(F)(F)F)cc1CN1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235401072 1313312336 /nfs/dbraw/zinc/31/23/36/1313312336.db2.gz GIANMBDTSKOFGX-HUUCEWRRSA-N 1 0 332.341 2.935 20 10 EFCDRO CN(C)c1ccc(CN2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c(Cl)c1 ZINC001235401450 1313312472 /nfs/dbraw/zinc/31/24/72/1313312472.db2.gz GQPWDPAYSFWQNH-IAGOWNOFSA-N 1 0 325.859 2.930 20 10 EFCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205618113 1313323711 /nfs/dbraw/zinc/32/37/11/1313323711.db2.gz RNXDDSBDMNORDQ-TZMCWYRMSA-N 1 0 330.428 2.614 20 10 EFCDRO CCOC(=O)c1c(CN2CC[NH2+][C@H](C(C)C)C2)c2ccccc2n1C ZINC001235475789 1313333144 /nfs/dbraw/zinc/33/31/44/1313333144.db2.gz XVIRUIMETFUONI-KRWDZBQOSA-N 1 0 343.471 2.785 20 10 EFCDRO [NH3+]C[C@H]1CN(Cc2c(O)cccc2Br)CCC1(F)F ZINC001205771771 1313353427 /nfs/dbraw/zinc/35/34/27/1313353427.db2.gz VRZICBAOEJWAAR-VIFPVBQESA-N 1 0 335.192 2.571 20 10 EFCDRO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000776244822 1297221090 /nfs/dbraw/zinc/22/10/90/1297221090.db2.gz GCFORSXOKVURTE-WBVHZDCISA-N 1 0 332.492 2.986 20 10 EFCDRO CC(C)[NH2+]C1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000776239386 1297225166 /nfs/dbraw/zinc/22/51/66/1297225166.db2.gz TUSBPBCNNWJQMH-OAHLLOKOSA-N 1 0 332.492 2.986 20 10 EFCDRO C[C@H]1CC[C@H](C[NH3+])N(Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001205819388 1313361192 /nfs/dbraw/zinc/36/11/92/1313361192.db2.gz XLKXNWKXHSLGLM-WMLDXEAASA-N 1 0 329.488 2.650 20 10 EFCDRO C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N(C)C)cc1 ZINC000776248898 1297271182 /nfs/dbraw/zinc/27/11/82/1297271182.db2.gz LGPKDYRMAIGDSO-OLMNPRSZSA-N 1 0 330.476 2.692 20 10 EFCDRO COc1ccc(O)c(C[NH2+]CCCOc2cc(OC)cc(OC)c2)c1 ZINC000776248889 1297271460 /nfs/dbraw/zinc/27/14/60/1297271460.db2.gz RBVUSOTUUKNUBW-UHFFFAOYSA-N 1 0 347.411 2.977 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@@H](C)CC[C@@H]2C[NH3+])c2ccccc2n1C ZINC001205842591 1313364613 /nfs/dbraw/zinc/36/46/13/1313364613.db2.gz OFYOWBYCRQUPGJ-LSDHHAIUSA-N 1 0 343.471 2.914 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]CC2=CC[N@H+](C)CC2)c1O ZINC000776256762 1297287519 /nfs/dbraw/zinc/28/75/19/1297287519.db2.gz GJFPHILKUMNXCN-UHFFFAOYSA-N 1 0 341.249 2.515 20 10 EFCDRO CCOC(=O)c1c(CN2CC[C@@H](C)[C@@H]([NH3+])C2)c2ccccc2n1C ZINC001205880366 1313369779 /nfs/dbraw/zinc/36/97/79/1313369779.db2.gz DMEGWNDQAPLMAS-CJNGLKHVSA-N 1 0 329.444 2.524 20 10 EFCDRO CC(C)(C)c1ccc(C[NH+]2CCN(c3cnccn3)CC2)c(O)c1 ZINC001235674950 1313371903 /nfs/dbraw/zinc/37/19/03/1313371903.db2.gz JPVVNRFARMGOOT-UHFFFAOYSA-N 1 0 326.444 2.802 20 10 EFCDRO CC(C)(C)c1ccc(C[NH+]2CCN(c3ncc(O)cn3)CC2)c(O)c1 ZINC001235681608 1313373549 /nfs/dbraw/zinc/37/35/49/1313373549.db2.gz OENZQSPAHCJMMQ-UHFFFAOYSA-N 1 0 342.443 2.508 20 10 EFCDRO CCOC(=O)c1c(CN2CCCC[C@H]([NH3+])C2)c2ccccc2n1C ZINC001205938794 1313379149 /nfs/dbraw/zinc/37/91/49/1313379149.db2.gz KYPXVSPOCCCHTF-AWEZNQCLSA-N 1 0 329.444 2.668 20 10 EFCDRO CCOC(=O)c1c(CN2CC[C@@H](C)[C@H]([NH3+])C2)c2ccccc2n1C ZINC001206043431 1313396047 /nfs/dbraw/zinc/39/60/47/1313396047.db2.gz DMEGWNDQAPLMAS-CZUORRHYSA-N 1 0 329.444 2.524 20 10 EFCDRO COCCCN(Cc1c(O)ccc(F)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC001235808464 1313402402 /nfs/dbraw/zinc/40/24/02/1313402402.db2.gz CTKSPZSGTVQHQO-GFCCVEGCSA-N 1 0 330.831 2.775 20 10 EFCDRO COCCCN(Cc1ccc(N2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235808541 1313402536 /nfs/dbraw/zinc/40/25/36/1313402536.db2.gz UVYKTCAWYLCPQC-HXUWFJFHSA-N 1 0 331.504 2.877 20 10 EFCDRO CCOC(=O)c1c(CN2CC[NH2+]CC2(C)C)c2ccccc2n1C ZINC001235825520 1313405385 /nfs/dbraw/zinc/40/53/85/1313405385.db2.gz LNCVFHXKEIMPKK-UHFFFAOYSA-N 1 0 329.444 2.539 20 10 EFCDRO COC(=O)COc1ccc(N(C)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000903914901 1313406337 /nfs/dbraw/zinc/40/63/37/1313406337.db2.gz MAAAMNNWYOOGDX-UHFFFAOYSA-N 1 0 340.423 2.521 20 10 EFCDRO CCOC(=O)c1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)nc1 ZINC001235867885 1313412595 /nfs/dbraw/zinc/41/25/95/1313412595.db2.gz XZYSOPFHNUQHLO-UHFFFAOYSA-N 1 0 327.428 2.956 20 10 EFCDRO CC(C)C[C@H]1CN(Cc2cc3c4c(c2O)CCCN4CCC3)CC[NH2+]1 ZINC001235880526 1313413518 /nfs/dbraw/zinc/41/35/18/1313413518.db2.gz AQZVQLRKLWADNQ-SFHVURJKSA-N 1 0 343.515 2.911 20 10 EFCDRO [NH3+][C@@H]1CN(Cc2c(O)ccc3cc(Br)ccc32)C[C@@H]1F ZINC001235892712 1313414992 /nfs/dbraw/zinc/41/49/92/1313414992.db2.gz DFYOWPQDDWIKSY-UONOGXRCSA-N 1 0 339.208 2.789 20 10 EFCDRO CN(C)c1ccc(CN(C2COC2)C2CC[NH2+]CC2)c2ccccc21 ZINC001235928167 1313419064 /nfs/dbraw/zinc/41/90/64/1313419064.db2.gz RDYIKICYDXDXLN-UHFFFAOYSA-N 1 0 339.483 2.859 20 10 EFCDRO Cc1cc(Br)cc(CN2CC[C@@H](F)[C@@H]([NH3+])CC2)c1O ZINC001206197393 1313419842 /nfs/dbraw/zinc/41/98/42/1313419842.db2.gz IFOVUMCCGCGJBP-OLZOCXBDSA-N 1 0 331.229 2.724 20 10 EFCDRO Cc1cc(C[N@@H+]2CC[C@H]3COC[C@@H](C2)N3)c(C)n1-c1ccccc1 ZINC001235992342 1313428679 /nfs/dbraw/zinc/42/86/79/1313428679.db2.gz KNRXTJZOQCYONK-RBUKOAKNSA-N 1 0 325.456 2.657 20 10 EFCDRO CCN(Cc1cc(Br)cc(OC)c1O)[C@H]1CCC[NH2+]C1 ZINC001236005773 1313430059 /nfs/dbraw/zinc/43/00/59/1313430059.db2.gz PCOOJISELXJKFX-ZDUSSCGKSA-N 1 0 343.265 2.737 20 10 EFCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000160046161 1297779229 /nfs/dbraw/zinc/77/92/29/1297779229.db2.gz DYGCLUZIARGCTN-HNNXBMFYSA-N 1 0 334.460 2.838 20 10 EFCDRO CCOC(=O)c1c(CN(CC)[C@@H]2CCC[NH2+]C2)c2ccccc2n1C ZINC001236008639 1313430856 /nfs/dbraw/zinc/43/08/56/1313430856.db2.gz HIBKAZIUBOZAMU-OAHLLOKOSA-N 1 0 343.471 2.929 20 10 EFCDRO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001206237181 1313423895 /nfs/dbraw/zinc/42/38/95/1313423895.db2.gz HDQRDMUHAQAPIX-KRWDZBQOSA-N 1 0 339.405 2.851 20 10 EFCDRO CCN(Cc1c(O)cc(OC)cc1Br)[C@H]1CCC[NH2+]C1 ZINC001236010404 1313431723 /nfs/dbraw/zinc/43/17/23/1313431723.db2.gz RDNLSQPETCUDGR-NSHDSACASA-N 1 0 343.265 2.737 20 10 EFCDRO C[NH+](C)CCn1cc(-c2ncnc3c2ccn3Cc2ccccc2)cn1 ZINC001206316853 1313435321 /nfs/dbraw/zinc/43/53/21/1313435321.db2.gz NXFCXRCDVKVFNM-UHFFFAOYSA-N 1 0 346.438 2.905 20 10 EFCDRO Cc1cc(Br)cc(CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1O ZINC001236061264 1313435855 /nfs/dbraw/zinc/43/58/55/1313435855.db2.gz ZVSMDNYIONZZCX-FZMZJTMJSA-N 1 0 325.250 2.647 20 10 EFCDRO Cc1cc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(O)cc1Br ZINC001236095146 1313440729 /nfs/dbraw/zinc/44/07/29/1313440729.db2.gz DBWWRPYJGNKXIA-BETUJISGSA-N 1 0 325.250 2.789 20 10 EFCDRO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccc(N)cc3)CC2)cc1 ZINC001236100986 1313441291 /nfs/dbraw/zinc/44/12/91/1313441291.db2.gz LMQKRQBPIXFDJN-UHFFFAOYSA-N 1 0 339.439 2.768 20 10 EFCDRO [NH3+]C[C@@]1(F)CCCCN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001206370235 1313443515 /nfs/dbraw/zinc/44/35/15/1313443515.db2.gz MLMZTJFLAXNXRD-AWEZNQCLSA-N 1 0 336.329 2.944 20 10 EFCDRO CN(C)c1ccc(CN2CC[NH2+]C[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC001236131435 1313445250 /nfs/dbraw/zinc/44/52/50/1313445250.db2.gz VUBMAMZTKVNQNP-GOSISDBHSA-N 1 0 329.419 2.744 20 10 EFCDRO CCCC[C@@H]1CN(Cc2c3ccccc3n(C)c2C(=O)OC)CC[NH2+]1 ZINC001236139560 1313446163 /nfs/dbraw/zinc/44/61/63/1313446163.db2.gz YMSOIZLUPRXZDO-OAHLLOKOSA-N 1 0 343.471 2.929 20 10 EFCDRO CCCC[C@H]1CN(Cc2cc(O)c(Br)cc2O)CC[NH2+]1 ZINC001236141426 1313446188 /nfs/dbraw/zinc/44/61/88/1313446188.db2.gz JJBJPNWPJYSJDT-LBPRGKRZSA-N 1 0 343.265 2.824 20 10 EFCDRO COC(=O)c1cc2ccc(-c3cnn(CCC[NH+](C)C)c3)cc2n1C ZINC001236150054 1313447127 /nfs/dbraw/zinc/44/71/27/1313447127.db2.gz ILNDZDXVYFTAKL-UHFFFAOYSA-N 1 0 340.427 2.780 20 10 EFCDRO CCC[C@H]1CN(Cc2cc3c4c(c2O)CCCN4CCC3)CC[NH2+]1 ZINC001236177804 1313451864 /nfs/dbraw/zinc/45/18/64/1313451864.db2.gz AZFRVDBWEIMFSP-KRWDZBQOSA-N 1 0 329.488 2.665 20 10 EFCDRO CN(Cc1ccc(N2CCOCC2)c(Cl)c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207541 1313455489 /nfs/dbraw/zinc/45/54/89/1313455489.db2.gz QYIGJBHMCMRHCG-SFHVURJKSA-N 1 0 337.895 2.751 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[C@H]1O ZINC000779199944 1298051622 /nfs/dbraw/zinc/05/16/22/1298051622.db2.gz NHJXGVSTABDHFM-RDTXWAMCSA-N 1 0 333.432 2.788 20 10 EFCDRO Oc1cccc(Br)c1CN(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236241576 1313460036 /nfs/dbraw/zinc/46/00/36/1313460036.db2.gz SYKADNAIZQQEBR-LBPRGKRZSA-N 1 0 325.250 2.871 20 10 EFCDRO CCCN(Cc1c2ccccc2n(C)c1C(=O)OC)[C@H]1CC[NH2+]C1 ZINC001236323680 1313469816 /nfs/dbraw/zinc/46/98/16/1313469816.db2.gz JOVXTOQYUAOQKC-AWEZNQCLSA-N 1 0 329.444 2.539 20 10 EFCDRO CCCN(Cc1c2ccccc2n(C)c1C(=O)OC)[C@@H]1CC[NH2+]C1 ZINC001236323683 1313469909 /nfs/dbraw/zinc/46/99/09/1313469909.db2.gz JOVXTOQYUAOQKC-CQSZACIVSA-N 1 0 329.444 2.539 20 10 EFCDRO COCCN(Cc1c(O)ccc2ccc(OC)cc21)[C@H]1CCC[NH2+]C1 ZINC001236329686 1313470954 /nfs/dbraw/zinc/47/09/54/1313470954.db2.gz LQLXYVLLUDAZNJ-INIZCTEOSA-N 1 0 344.455 2.754 20 10 EFCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206547029 1313473553 /nfs/dbraw/zinc/47/35/53/1313473553.db2.gz ATZJGHQMVJMAKZ-IBGZPJMESA-N 1 0 330.428 2.758 20 10 EFCDRO COc1ccc(N2CCN(C[C@@H]([NH3+])c3ccccc3)CC2)c(C)c1 ZINC001236367981 1313474069 /nfs/dbraw/zinc/47/40/69/1313474069.db2.gz RCTRPQAZJSWUKU-LJQANCHMSA-N 1 0 325.456 2.826 20 10 EFCDRO Oc1ccc(CN(Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)cc1O ZINC001236391928 1313476025 /nfs/dbraw/zinc/47/60/25/1313476025.db2.gz IKDUTRIFFAINCS-KRWDZBQOSA-N 1 0 330.403 2.991 20 10 EFCDRO CC(C)N(Cc1ccc(N2CCOCC2)cc1Cl)[C@H]1CC[NH2+]C1 ZINC001236528959 1313488861 /nfs/dbraw/zinc/48/88/61/1313488861.db2.gz LSISLKSYBVLWMY-KRWDZBQOSA-N 1 0 337.895 2.749 20 10 EFCDRO CCOC(=O)c1c(CN(C(C)C)[C@@H]2CC[NH2+]C2)c2ccccc2n1C ZINC001236531535 1313489033 /nfs/dbraw/zinc/48/90/33/1313489033.db2.gz ZZHFYAPKBAUAAD-OAHLLOKOSA-N 1 0 343.471 2.927 20 10 EFCDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000079296645 1298370725 /nfs/dbraw/zinc/37/07/25/1298370725.db2.gz MDRVSQCTPIYJTJ-MRXNPFEDSA-N 1 0 332.492 2.768 20 10 EFCDRO Oc1cc(CN2CCC([NH+]3CCC3)CC2)c(O)cc1Br ZINC001236765398 1313524791 /nfs/dbraw/zinc/52/47/91/1313524791.db2.gz OAUMUUCCKJDDTP-UHFFFAOYSA-N 1 0 341.249 2.530 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](O)CC2)c(O)cc1Br ZINC001236746564 1313521156 /nfs/dbraw/zinc/52/11/56/1313521156.db2.gz DSMJSGRFBSGLAD-ZWNOBZJWSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)cc1OC ZINC001236749535 1313521566 /nfs/dbraw/zinc/52/15/66/1313521566.db2.gz JQQUEQGUYTZJBR-VXGBXAGGSA-N 1 0 349.349 2.545 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)cc1OC ZINC001236749001 1313521583 /nfs/dbraw/zinc/52/15/83/1313521583.db2.gz DGVHDPOOJKCXGW-ZUZCIYMTSA-N 1 0 349.349 2.545 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)CCc2noc(C(C)C)n2)cc1OC ZINC001236750142 1313521611 /nfs/dbraw/zinc/52/16/11/1313521611.db2.gz PRUFPCGLHGOMFU-UHFFFAOYSA-N 1 0 335.404 2.590 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCN(C)c3nc(C)ccc3C2)cc1OC ZINC001236750696 1313521779 /nfs/dbraw/zinc/52/17/79/1313521779.db2.gz IGNBIMIAJYZZSA-UHFFFAOYSA-N 1 0 343.427 2.565 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c(O)cc1Br ZINC001236749077 1313521977 /nfs/dbraw/zinc/52/19/77/1313521977.db2.gz YFFFWMUGCKEHHT-MFKMUULPSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)cc1OC ZINC001236750751 1313522028 /nfs/dbraw/zinc/52/20/28/1313522028.db2.gz JHZQUJBWAQPFQS-DLBZAZTESA-N 1 0 343.423 2.587 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)cc1OC ZINC001236751279 1313522548 /nfs/dbraw/zinc/52/25/48/1313522548.db2.gz SDAMPXDZJOEMBN-GHMZBOCLSA-N 1 0 337.313 2.989 20 10 EFCDRO COc1cc(C[N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c(O)cc1Br ZINC001236757279 1313522996 /nfs/dbraw/zinc/52/29/96/1313522996.db2.gz RKIIPOJCZVZWIR-XDMRBOTDSA-N 1 0 342.233 2.630 20 10 EFCDRO COC(=O)CC[N@H+](Cc1cc(OC)c(OC)cc1O)C1CCCC1 ZINC001236757061 1313523110 /nfs/dbraw/zinc/52/31/10/1313523110.db2.gz XEUUUUGWFPBMCC-UHFFFAOYSA-N 1 0 337.416 2.717 20 10 EFCDRO C[C@@H]1CC[N@H+](Cc2cc(O)c(Br)cc2O)CC[C@]1(C)O ZINC001236764400 1313524598 /nfs/dbraw/zinc/52/45/98/1313524598.db2.gz FJUQWEDDMNGIDB-BMIGLBTASA-N 1 0 344.249 2.843 20 10 EFCDRO CCc1ccc(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](CO)C2)c(O)c1 ZINC001236782694 1313527464 /nfs/dbraw/zinc/52/74/64/1313527464.db2.gz DCVMYHMERSQRMF-HXUWFJFHSA-N 1 0 340.467 2.633 20 10 EFCDRO CO[C@@H]1C[N@H+](Cc2cc(OCc3ccccc3)ccc2O)C[C@@H]1OC ZINC001236778536 1313527882 /nfs/dbraw/zinc/52/78/82/1313527882.db2.gz IKQJHZDFMOWCIU-BGYRXZFFSA-N 1 0 343.423 2.817 20 10 EFCDRO COC(=O)C1C[NH+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236778719 1313527980 /nfs/dbraw/zinc/52/79/80/1313527980.db2.gz MGRYXERVRXVFEX-UHFFFAOYSA-N 1 0 327.380 2.576 20 10 EFCDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236789059 1313529324 /nfs/dbraw/zinc/52/93/24/1313529324.db2.gz MRXUDYGOBCEEBT-MRXNPFEDSA-N 1 0 340.423 2.669 20 10 EFCDRO Oc1cc(Cl)c(Cl)cc1CN1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001236804870 1313531954 /nfs/dbraw/zinc/53/19/54/1313531954.db2.gz UXZUDVXJLBAKFB-CYBMUJFWSA-N 1 0 345.270 2.996 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3ncccn3)C2)c(Cl)c1 ZINC001236804845 1313531961 /nfs/dbraw/zinc/53/19/61/1313531961.db2.gz BPVNTNUSLBGQOW-GFCCVEGCSA-N 1 0 349.818 2.888 20 10 EFCDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236803598 1313532278 /nfs/dbraw/zinc/53/22/78/1313532278.db2.gz PEDFUSHWHALKIE-WDEREUQCSA-N 1 0 327.808 2.685 20 10 EFCDRO CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236809187 1313534466 /nfs/dbraw/zinc/53/44/66/1313534466.db2.gz FNHBPNDZVQAWKT-HNNXBMFYSA-N 1 0 345.443 2.574 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c(O)c1 ZINC001236813384 1313534743 /nfs/dbraw/zinc/53/47/43/1313534743.db2.gz JRBCMTUSTXOQHL-INIZCTEOSA-N 1 0 346.471 2.934 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)c(O)c1 ZINC001236811694 1313534862 /nfs/dbraw/zinc/53/48/62/1313534862.db2.gz RONFUYKCFSMNNB-QAPCUYQASA-N 1 0 346.471 2.788 20 10 EFCDRO CCN1CC[C@@]2(CCC[N@H+](Cc3c(C)cc(OC)cc3O)C2)C1=O ZINC001236812314 1313535348 /nfs/dbraw/zinc/53/53/48/1313535348.db2.gz ZAANWQGBXAGAAI-LJQANCHMSA-N 1 0 332.444 2.544 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCC(NC(=O)CC(C)C)CC2)c(O)c1 ZINC001236812297 1313535407 /nfs/dbraw/zinc/53/54/07/1313535407.db2.gz BRJTWHRNEZZGMS-UHFFFAOYSA-N 1 0 334.460 2.836 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCC(NC(=O)C(C)(C)C)CC2)c(O)c1 ZINC001236816950 1313535500 /nfs/dbraw/zinc/53/55/00/1313535500.db2.gz ZMCHCDCKKAGYBH-UHFFFAOYSA-N 1 0 334.460 2.836 20 10 EFCDRO COc1cc(C)c(CN2CCC([NH+]3CCC(OC)CC3)CC2)c(O)c1 ZINC001236816897 1313535553 /nfs/dbraw/zinc/53/55/53/1313535553.db2.gz YDHFSQQJEVUTAM-UHFFFAOYSA-N 1 0 348.487 2.784 20 10 EFCDRO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236817670 1313535629 /nfs/dbraw/zinc/53/56/29/1313535629.db2.gz GBEFFBDCRDYNAO-OAHLLOKOSA-N 1 0 334.460 2.790 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](Oc3ncncc3C)C2)c(O)c1 ZINC001236816782 1313535643 /nfs/dbraw/zinc/53/56/43/1313535643.db2.gz WTTKCYRFHYAAIO-HNNXBMFYSA-N 1 0 343.427 2.851 20 10 EFCDRO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001236820279 1313536655 /nfs/dbraw/zinc/53/66/55/1313536655.db2.gz JRJMLGJDJSHPTK-YEWWUXTCSA-N 1 0 333.428 2.873 20 10 EFCDRO CC1(C)CN(C2C[NH+](Cc3cc4ccccc4cc3O)C2)CCO1 ZINC001236831476 1313538095 /nfs/dbraw/zinc/53/80/95/1313538095.db2.gz HJUNXMIXRGNZBN-UHFFFAOYSA-N 1 0 326.440 2.840 20 10 EFCDRO Oc1cc2ccccc2cc1C[NH+]1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 ZINC001236832530 1313538694 /nfs/dbraw/zinc/53/86/94/1313538694.db2.gz PDSRQUYLZHQCBM-OALUTQOASA-N 1 0 346.434 2.904 20 10 EFCDRO Cc1cnc(N2CC[NH+](Cc3cc4ccccc4cc3O)CC2)nc1 ZINC001236836040 1313539029 /nfs/dbraw/zinc/53/90/29/1313539029.db2.gz WLOAYWOKJGLZJZ-UHFFFAOYSA-N 1 0 334.423 2.966 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)NC[C@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000108565117 1298716411 /nfs/dbraw/zinc/71/64/11/1298716411.db2.gz UMIAPWJOQHAWGU-LJQANCHMSA-N 1 0 344.503 2.816 20 10 EFCDRO Oc1cc2ccccc2cc1C[NH+]1CCN(C[C@@H]2CCCO2)CC1 ZINC001236842736 1313541584 /nfs/dbraw/zinc/54/15/84/1313541584.db2.gz XXEQGUJHMGAUAD-IBGZPJMESA-N 1 0 326.440 2.842 20 10 EFCDRO C[N@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)Cc1ccccc1O ZINC001236891988 1313547558 /nfs/dbraw/zinc/54/75/58/1313547558.db2.gz FCUFXOYAQGYXRG-UHFFFAOYSA-N 1 0 325.456 2.776 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@]12CCOC2 ZINC001236917840 1313552655 /nfs/dbraw/zinc/55/26/55/1313552655.db2.gz BMSRGBFNXHRISK-GOSISDBHSA-N 1 0 336.863 2.932 20 10 EFCDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236917773 1313552931 /nfs/dbraw/zinc/55/29/31/1313552931.db2.gz AUPZDXKUVQVFON-QGZVFWFLSA-N 1 0 338.879 2.912 20 10 EFCDRO Cc1cc(C)c(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C2CCCC2)c(O)c1 ZINC001276365399 1298817568 /nfs/dbraw/zinc/81/75/68/1298817568.db2.gz ORDSXPHMVJOSDD-QUCCMNQESA-N 1 0 330.472 2.837 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC[C@@]1(C)O ZINC001236924044 1313554225 /nfs/dbraw/zinc/55/42/25/1313554225.db2.gz JROAHGGZUDVPQP-RDTXWAMCSA-N 1 0 338.879 2.769 20 10 EFCDRO OCC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236927212 1313554612 /nfs/dbraw/zinc/55/46/12/1313554612.db2.gz NEYWCINVJKDRQF-OAHLLOKOSA-N 1 0 338.879 2.771 20 10 EFCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC[C@H]1O ZINC001236926290 1313554645 /nfs/dbraw/zinc/55/46/45/1313554645.db2.gz FBHCWWARZUAKPI-RDTXWAMCSA-N 1 0 338.879 2.769 20 10 EFCDRO O=C1CCC[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3Cl)C[C@@H]12 ZINC001236926848 1313554660 /nfs/dbraw/zinc/55/46/60/1313554660.db2.gz NVNFPFCSWYRJGZ-WMLDXEAASA-N 1 0 348.874 2.978 20 10 EFCDRO CC[N@@H+]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)C[C@H]1C ZINC001236927327 1313554784 /nfs/dbraw/zinc/55/47/84/1313554784.db2.gz SCLCTMCIFKFGPK-OAHLLOKOSA-N 1 0 337.895 2.703 20 10 EFCDRO C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)[C@H]1CO ZINC001236925965 1313554922 /nfs/dbraw/zinc/55/49/22/1313554922.db2.gz ZRDIMMCAWFEHFO-KSSFIOAISA-N 1 0 338.879 2.769 20 10 EFCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3Cl)C[C@H]21 ZINC001236929301 1313555159 /nfs/dbraw/zinc/55/51/59/1313555159.db2.gz DPHOWGOFAVOBNE-VQIMIIECSA-N 1 0 349.906 2.703 20 10 EFCDRO CN(Cc1ccc(N2CCOCC2)cc1Cl)C1CC[NH+](C)CC1 ZINC001236929719 1313555345 /nfs/dbraw/zinc/55/53/45/1313555345.db2.gz SQGSHKZVEYHMIJ-UHFFFAOYSA-N 1 0 337.895 2.703 20 10 EFCDRO CC[NH+]1C[C@H]2CN(Cc3ccc(N4CCOCC4)cc3Cl)C[C@@H]2C1 ZINC001236930786 1313556106 /nfs/dbraw/zinc/55/61/06/1313556106.db2.gz NZTPLGLFNOGXAQ-IRXDYDNUSA-N 1 0 349.906 2.560 20 10 EFCDRO CC(=O)[C@H]1CCCCN1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236941975 1313558355 /nfs/dbraw/zinc/55/83/55/1313558355.db2.gz HZCUWLXPNXAGPV-LJQANCHMSA-N 1 0 333.451 2.521 20 10 EFCDRO COCCCN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC001236948246 1313559254 /nfs/dbraw/zinc/55/92/54/1313559254.db2.gz RFZQLJGJPYMLFX-FQEVSTJZSA-N 1 0 331.504 2.877 20 10 EFCDRO Oc1c(CN2CCN[C@H](C(F)(F)F)C2)cccc1C(F)(F)F ZINC001236994243 1313568279 /nfs/dbraw/zinc/56/82/79/1313568279.db2.gz ACCLPFKOUBBNSF-JTQLQIEISA-N 1 0 328.256 2.747 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)c(O)c1 ZINC001237048950 1313576236 /nfs/dbraw/zinc/57/62/36/1313576236.db2.gz BPYLANKZZXFYBF-XHDPSFHLSA-N 1 0 333.350 2.926 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3)[C@H]2CC)c(O)c1 ZINC001237040082 1313573301 /nfs/dbraw/zinc/57/33/01/1313573301.db2.gz DAYSEOJOUFPJFB-MJGOQNOKSA-N 1 0 332.444 2.814 20 10 EFCDRO CCOC(=O)C1(F)CC[NH+](Cc2ccc(OCC)cc2O)CC1 ZINC001237041855 1313573918 /nfs/dbraw/zinc/57/39/18/1313573918.db2.gz NQVGWGPNOCMCRZ-UHFFFAOYSA-N 1 0 325.380 2.658 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC3(CCC(=O)N3CC)CC2)c(O)c1 ZINC001237042443 1313573961 /nfs/dbraw/zinc/57/39/61/1313573961.db2.gz IJCRBTMZLQXLBB-UHFFFAOYSA-N 1 0 332.444 2.768 20 10 EFCDRO CCOc1ccc(C[N@H+]2Cc3cnn(CC)c3[C@H](COC)C2)c(O)c1 ZINC001237043941 1313574580 /nfs/dbraw/zinc/57/45/80/1313574580.db2.gz STHSSKAMCFHLTB-INIZCTEOSA-N 1 0 345.443 2.753 20 10 EFCDRO CCOc1ccc(C[NH+]2CCN(c3cccc(C)n3)CC2)c(O)c1 ZINC001237046097 1313575146 /nfs/dbraw/zinc/57/51/46/1313575146.db2.gz XGUSJFZNQGJIHB-UHFFFAOYSA-N 1 0 327.428 2.817 20 10 EFCDRO COc1ccnc(N2CC[NH+](Cc3ccc(C(C)C)cc3O)CC2)n1 ZINC001237049796 1313575697 /nfs/dbraw/zinc/57/56/97/1313575697.db2.gz UAMIJTHFWMLEEN-UHFFFAOYSA-N 1 0 342.443 2.636 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3cc(OC)ccn3)C2)c(O)c1 ZINC001237048676 1313576062 /nfs/dbraw/zinc/57/60/62/1313576062.db2.gz VLFOTHKSPPWCOG-QGZVFWFLSA-N 1 0 344.411 2.848 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCOC[C@@H](C)C2)c(Br)c1 ZINC001237063739 1313580470 /nfs/dbraw/zinc/58/04/70/1313580470.db2.gz UPUGGNYOEHUASY-JTQLQIEISA-N 1 0 330.222 2.632 20 10 EFCDRO CCC1(O)CC[NH+](Cc2c(O)cc(OC)cc2Br)CC1 ZINC001237066886 1313580629 /nfs/dbraw/zinc/58/06/29/1313580629.db2.gz ARRPSHLQJJCHFA-UHFFFAOYSA-N 1 0 344.249 2.900 20 10 EFCDRO COCCOCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C)cc(C)cc1O ZINC001276365616 1299023188 /nfs/dbraw/zinc/02/31/88/1299023188.db2.gz SRQLKRUNRWQBHJ-AYHJJNSGSA-N 1 0 348.487 2.715 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c(Br)c1 ZINC001237070481 1313581902 /nfs/dbraw/zinc/58/19/02/1313581902.db2.gz NNASMWPWIVKURG-MEBBXXQBSA-N 1 0 342.233 2.774 20 10 EFCDRO COc1cc(O)c(CN(C)CC[NH+]2CCCC2)c(Br)c1 ZINC001237071137 1313582318 /nfs/dbraw/zinc/58/23/18/1313582318.db2.gz QLSSJSVHFCMUMK-UHFFFAOYSA-N 1 0 343.265 2.691 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c(Br)c1 ZINC001237070479 1313582367 /nfs/dbraw/zinc/58/23/67/1313582367.db2.gz NNASMWPWIVKURG-BONVTDFDSA-N 1 0 342.233 2.774 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[C@](C)(C[NH3+])C2)c2ccccc2n1C ZINC001237080195 1313583248 /nfs/dbraw/zinc/58/32/48/1313583248.db2.gz DSVXLUISVHIUJT-HXUWFJFHSA-N 1 0 343.471 2.916 20 10 EFCDRO C[N@H+](C1CN(Cc2c(O)ccc(Cl)c2Cl)C1)[C@@H]1CCOC1 ZINC001237082063 1313584336 /nfs/dbraw/zinc/58/43/36/1313584336.db2.gz POLUNDULJZVNEK-SNVBAGLBSA-N 1 0 331.243 2.604 20 10 EFCDRO CN1CCN(c2ccc(C[N@H+](C)C3CC3)cc2Br)CC1 ZINC001237090959 1313585093 /nfs/dbraw/zinc/58/50/93/1313585093.db2.gz UCZYQHXJBHOWNN-UHFFFAOYSA-N 1 0 338.293 2.795 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC(Oc3ncncc3C)CC2)c(O)c1 ZINC001237048863 1313576378 /nfs/dbraw/zinc/57/63/78/1313576378.db2.gz YJDZAXWOSIHXKR-UHFFFAOYSA-N 1 0 343.427 2.933 20 10 EFCDRO CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001237049751 1313576405 /nfs/dbraw/zinc/57/64/05/1313576405.db2.gz IVIGKQVZEBAMMH-LIRRHRJNSA-N 1 0 348.443 2.890 20 10 EFCDRO COCC[N@H+](Cc1ccc(C(C)C)cc1O)C1CCN(C(C)=O)CC1 ZINC001237050297 1313576414 /nfs/dbraw/zinc/57/64/14/1313576414.db2.gz AFSWMMPFRUOICH-UHFFFAOYSA-N 1 0 348.487 2.975 20 10 EFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237051786 1313576979 /nfs/dbraw/zinc/57/69/79/1313576979.db2.gz QOWKRDHKDGDOIK-LBPRGKRZSA-N 1 0 347.333 2.718 20 10 EFCDRO CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3O)CC[C@@H]21 ZINC001237051039 1313577337 /nfs/dbraw/zinc/57/73/37/1313577337.db2.gz IJLODCJNAMUOSF-AZUAARDMSA-N 1 0 346.471 2.727 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[NH+]1CCC2(CC1)OCCO2 ZINC001237052893 1313577414 /nfs/dbraw/zinc/57/74/14/1313577414.db2.gz DPJDSIBFZNSROV-UHFFFAOYSA-N 1 0 347.333 2.672 20 10 EFCDRO C[N@@H+]1C[C@@H]2CCCN(Cc3ccc(OCC(F)(F)F)cc3O)[C@@H]2C1 ZINC001237056591 1313577834 /nfs/dbraw/zinc/57/78/34/1313577834.db2.gz MQDJSYPCOCUOSB-SWLSCSKDSA-N 1 0 344.377 2.859 20 10 EFCDRO C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@H]12 ZINC001237060123 1313578784 /nfs/dbraw/zinc/57/87/84/1313578784.db2.gz UKQBAIPULAAHGY-WDBKCZKBSA-N 1 0 331.334 2.800 20 10 EFCDRO CN1CCC[C@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@@H]21 ZINC001237062436 1313579485 /nfs/dbraw/zinc/57/94/85/1313579485.db2.gz NTZCJCNVEMGUFU-WFASDCNBSA-N 1 0 344.377 2.859 20 10 EFCDRO CCCCN(CCCC)c1ccc(CN2C[C@@H](OC)[C@@H]([NH3+])C2)c(O)c1 ZINC001237107500 1313587090 /nfs/dbraw/zinc/58/70/90/1313587090.db2.gz IBTVDRRIIFWPRR-AZUAARDMSA-N 1 0 349.519 2.957 20 10 EFCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3c(O)cccc3OC(F)(F)F)C[C@@H]21 ZINC001237114875 1313587941 /nfs/dbraw/zinc/58/79/41/1313587941.db2.gz NZGLOEYXVRPYOD-YPMHNXCESA-N 1 0 330.350 2.817 20 10 EFCDRO Cc1cc(CN2CC(F)(F)C[C@H]2C[NH3+])c(O)cc1Br ZINC001237115410 1313588777 /nfs/dbraw/zinc/58/87/77/1313588777.db2.gz UYFFYZYEAAZFBQ-JTQLQIEISA-N 1 0 335.192 2.631 20 10 EFCDRO OC[C@@]1(F)CCC[N@H+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237116550 1313588859 /nfs/dbraw/zinc/58/88/59/1313588859.db2.gz KARLHACJQJOJSM-CQSZACIVSA-N 1 0 337.313 2.977 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](COc3ccccc3)C1)[C@@H](O)CO2 ZINC000779883834 1299115046 /nfs/dbraw/zinc/11/50/46/1299115046.db2.gz GOAMWZUNGFHLFJ-KUHUBIRLSA-N 1 0 341.407 2.719 20 10 EFCDRO O=C1CCC2(CC[NH+](Cc3c(O)cccc3OC(F)(F)F)CC2)N1 ZINC001237125095 1313591377 /nfs/dbraw/zinc/59/13/77/1313591377.db2.gz HYSZGVQIAFEWDI-UHFFFAOYSA-N 1 0 344.333 2.535 20 10 EFCDRO COCC[N@H+](Cc1cc(C(F)(F)F)ccc1O)C1CCN(C)CC1 ZINC001237138849 1313592199 /nfs/dbraw/zinc/59/21/99/1313592199.db2.gz HKXBHUBWEPXRBE-UHFFFAOYSA-N 1 0 346.393 2.954 20 10 EFCDRO Oc1ccc(C(F)(F)F)cc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001237138876 1313592301 /nfs/dbraw/zinc/59/23/01/1313592301.db2.gz IATVEHIHBLSJLB-OAHLLOKOSA-N 1 0 344.377 2.708 20 10 EFCDRO COCCOc1ccc(N2CC[NH+](CC3OC=CC3=S)CC2)cc1 ZINC001237183819 1313601207 /nfs/dbraw/zinc/60/12/07/1313601207.db2.gz KYGPCXVPGISPJC-UHFFFAOYSA-N 1 0 348.468 2.916 20 10 EFCDRO C[C@H]1CCC[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H]1C ZINC001237208053 1313605782 /nfs/dbraw/zinc/60/57/82/1313605782.db2.gz XWIMQVSMDYQOKL-HOTGVXAUSA-N 1 0 336.501 2.542 20 10 EFCDRO CC(C)[N@@H+](Cc1ccc(N2CCS(=O)(=O)CC2)cc1)CC1CC1 ZINC001237207042 1313605841 /nfs/dbraw/zinc/60/58/41/1313605841.db2.gz RLYQNKAIGWIUGJ-UHFFFAOYSA-N 1 0 336.501 2.542 20 10 EFCDRO O=S1(=O)CCN(c2ccc(C[NH+]3CCC4(CCC4)CC3)cc2)CC1 ZINC001237206919 1313606134 /nfs/dbraw/zinc/60/61/34/1313606134.db2.gz MOGUIUMRCNALJI-UHFFFAOYSA-N 1 0 348.512 2.688 20 10 EFCDRO O=S1(=O)CCN(c2ccc(C[NH+]3CC4CCC(CC4)C3)cc2)CC1 ZINC001237210232 1313606409 /nfs/dbraw/zinc/60/64/09/1313606409.db2.gz NXIWUTDNXGBPNU-UHFFFAOYSA-N 1 0 348.512 2.543 20 10 EFCDRO CCCCN(CCCC)c1ccc(C[N@H+](C)C[C@H](O)CO)c(O)c1 ZINC001237209285 1313606566 /nfs/dbraw/zinc/60/65/66/1313606566.db2.gz WFDSIOKLDOQTJS-SFHVURJKSA-N 1 0 338.492 2.584 20 10 EFCDRO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237211325 1313607281 /nfs/dbraw/zinc/60/72/81/1313607281.db2.gz DZHTZBKKRKJANW-JKSUJKDBSA-N 1 0 336.501 2.542 20 10 EFCDRO CCc1nccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC001207085549 1313608437 /nfs/dbraw/zinc/60/84/37/1313608437.db2.gz DUSHHNODKURHGK-UHFFFAOYSA-N 1 0 326.444 2.508 20 10 EFCDRO CCC[N@@H+](Cc1ccc(N2CCS(=O)(=O)CC2)cc1)CC(C)C ZINC001237220653 1313608493 /nfs/dbraw/zinc/60/84/93/1313608493.db2.gz PXTWQGOEHKNWDF-UHFFFAOYSA-N 1 0 338.517 2.789 20 10 EFCDRO C[C@@H]([NH3+])CN1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001237250704 1313612444 /nfs/dbraw/zinc/61/24/44/1313612444.db2.gz XDFFLCCPEUCODA-QGZVFWFLSA-N 1 0 325.456 2.735 20 10 EFCDRO C[NH2+]CCCN1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001237250783 1313612934 /nfs/dbraw/zinc/61/29/34/1313612934.db2.gz XWBCXMKRURYHCV-UHFFFAOYSA-N 1 0 339.483 2.997 20 10 EFCDRO OCCCC[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001237258381 1313613333 /nfs/dbraw/zinc/61/33/33/1313613333.db2.gz LLOFPIVSBSWSCD-UHFFFAOYSA-N 1 0 341.455 2.555 20 10 EFCDRO O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)Nc1cnccn1 ZINC000851771778 1299384139 /nfs/dbraw/zinc/38/41/39/1299384139.db2.gz OSOHBYNPLOPFOS-UHFFFAOYSA-N 1 0 326.400 2.566 20 10 EFCDRO COc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)sn1 ZINC000851898263 1299455534 /nfs/dbraw/zinc/45/55/34/1299455534.db2.gz USTWZMGKALCAHK-CYBMUJFWSA-N 1 0 333.457 2.839 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC3(Cc4ccccc4N3)CC2)c(O)c1 ZINC001237346708 1313629305 /nfs/dbraw/zinc/62/93/05/1313629305.db2.gz USAJMEBMBUZDND-UHFFFAOYSA-N 1 0 326.396 2.806 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3nccs3)C2)cc1C ZINC000962456528 1299707020 /nfs/dbraw/zinc/70/70/20/1299707020.db2.gz NBPJBMOIKTXVHE-UHFFFAOYSA-N 1 0 345.468 2.758 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000852603194 1299777891 /nfs/dbraw/zinc/77/78/91/1299777891.db2.gz KKNDBOZURXUIHU-GJZGRUSLSA-N 1 0 349.475 2.881 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776606635 1299779792 /nfs/dbraw/zinc/77/97/92/1299779792.db2.gz YOIQJTRGCZFWBU-PIGZYNQJSA-N 1 0 332.356 2.693 20 10 EFCDRO CCOC(=O)CC1([NH2+]Cc2ccc(N(C)C)c(C)c2)CCOCC1 ZINC000852726780 1299837777 /nfs/dbraw/zinc/83/77/77/1299837777.db2.gz YIFVLKJGLBUXSI-UHFFFAOYSA-N 1 0 334.460 2.653 20 10 EFCDRO CCOC(=O)CC1([NH2+]Cc2ccc(N(C)CC)cc2)CCOCC1 ZINC000852726448 1299838478 /nfs/dbraw/zinc/83/84/78/1299838478.db2.gz OTAYDIQRBPAYSI-UHFFFAOYSA-N 1 0 334.460 2.735 20 10 EFCDRO CSc1cc(C)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)o1 ZINC000852791629 1299888467 /nfs/dbraw/zinc/88/84/67/1299888467.db2.gz LDYYIDUTJYXMJM-AWEZNQCLSA-N 1 0 333.457 2.806 20 10 EFCDRO Cc1cccc(O)c1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC001237480811 1313654487 /nfs/dbraw/zinc/65/44/87/1313654487.db2.gz AMHXTEDVWWGJRV-UHFFFAOYSA-N 1 0 340.423 2.747 20 10 EFCDRO CC[C@H]([NH2+]C)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000852812470 1299897137 /nfs/dbraw/zinc/89/71/37/1299897137.db2.gz XWHLSGFRVFIYST-LBPRGKRZSA-N 1 0 329.238 2.501 20 10 EFCDRO COC(=O)Cc1cccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001237488713 1313654677 /nfs/dbraw/zinc/65/46/77/1313654677.db2.gz UGBOPSVNMKAXSN-UHFFFAOYSA-N 1 0 341.407 2.762 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CCCN(C(=O)Cc2ccccc2)CC1 ZINC001237489423 1313654902 /nfs/dbraw/zinc/65/49/02/1313654902.db2.gz ASALGPULGDLXSL-UHFFFAOYSA-N 1 0 338.451 2.978 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001237489146 1313655095 /nfs/dbraw/zinc/65/50/95/1313655095.db2.gz VZIQXHZWTWGBSW-PHZGNYQRSA-N 1 0 328.456 2.827 20 10 EFCDRO Cc1cccc(O)c1C[NH+]1CCN(CCOc2ccccc2)CC1 ZINC001237489351 1313655427 /nfs/dbraw/zinc/65/54/27/1313655427.db2.gz FXQOBPYFEXWDMC-UHFFFAOYSA-N 1 0 326.440 2.897 20 10 EFCDRO COc1ccnc(O[C@H]2CCC[N@H+](Cc3c(C)cccc3O)C2)n1 ZINC001237495545 1313655686 /nfs/dbraw/zinc/65/56/86/1313655686.db2.gz RSDIYZFOKGYHSX-AWEZNQCLSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N(C)CC(C)(C)[NH3+])c2C)cc1 ZINC000852897927 1299930603 /nfs/dbraw/zinc/93/06/03/1299930603.db2.gz GORAPPICNSMHNL-UHFFFAOYSA-N 1 0 329.444 2.912 20 10 EFCDRO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+](C)Cc1ccccc1O ZINC000111235277 1300079198 /nfs/dbraw/zinc/07/91/98/1300079198.db2.gz STWONFFFEXTHLZ-LBPRGKRZSA-N 1 0 345.374 2.700 20 10 EFCDRO CCOc1ccc(N2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)nn1 ZINC000853612442 1300192989 /nfs/dbraw/zinc/19/29/89/1300192989.db2.gz AVAZVBIOZUPAJF-UHFFFAOYSA-N 1 0 342.443 2.520 20 10 EFCDRO COc1cc(C[N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)c(O)c(OC)c1 ZINC001237668382 1313687991 /nfs/dbraw/zinc/68/79/91/1313687991.db2.gz DFJUJFXVZLVBAD-OAHLLOKOSA-N 1 0 349.349 2.689 20 10 EFCDRO CN1CCO[C@H]2C[N@H+](Cc3cc(-c4ccc(F)cc4)ccc3O)C[C@H]21 ZINC001237645310 1313683446 /nfs/dbraw/zinc/68/34/46/1313683446.db2.gz KBUUWFCZKVOOQA-QUCCMNQESA-N 1 0 342.414 2.713 20 10 EFCDRO CS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237644913 1313683593 /nfs/dbraw/zinc/68/35/93/1313683593.db2.gz FMHQJQDSIAWLGV-KRWDZBQOSA-N 1 0 349.427 2.817 20 10 EFCDRO COC(=O)CC[N@H+](Cc1cc(OC)cc(OC)c1O)C1CCCC1 ZINC001237676844 1313689462 /nfs/dbraw/zinc/68/94/62/1313689462.db2.gz RBXSGIYKTCPYKP-UHFFFAOYSA-N 1 0 337.416 2.717 20 10 EFCDRO Cc1cc(Cl)cc(CN2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1O ZINC001237679040 1313689956 /nfs/dbraw/zinc/68/99/56/1313689956.db2.gz FPOQAQCAYRSZIM-CQSZACIVSA-N 1 0 348.878 2.744 20 10 EFCDRO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(OC)cc(OC)c1O ZINC001237677331 1313689961 /nfs/dbraw/zinc/68/99/61/1313689961.db2.gz AIQUXYOBGFCVHW-NUTKFTJISA-N 1 0 349.427 2.573 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1Br ZINC001237680966 1313690571 /nfs/dbraw/zinc/69/05/71/1313690571.db2.gz GCAULFSNARPQAM-AAEUAGOBSA-N 1 0 326.234 2.931 20 10 EFCDRO CCOC(=O)[C@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)CCS1 ZINC001237687398 1313691681 /nfs/dbraw/zinc/69/16/81/1313691681.db2.gz AACOHMJCRTYFEV-CYBMUJFWSA-N 1 0 329.849 2.835 20 10 EFCDRO Cc1cc(O)c(CN2CCC([NH+](C)C)CC2)cc1Br ZINC001237676539 1313688726 /nfs/dbraw/zinc/68/87/26/1313688726.db2.gz KMLCWBXBQJTWDJ-UHFFFAOYSA-N 1 0 327.266 2.989 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c(O)c(OC)c1 ZINC001237673811 1313688780 /nfs/dbraw/zinc/68/87/80/1313688780.db2.gz WENBPAVNYQTGPV-ZWKOTPCHSA-N 1 0 343.423 2.587 20 10 EFCDRO COc1cc(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c(O)c(OC)c1 ZINC001237674398 1313688931 /nfs/dbraw/zinc/68/89/31/1313688931.db2.gz GBQNLBZJDJHAAL-ZYHUDNBSSA-N 1 0 337.313 2.989 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3cccnc3)C2)c(O)c(OC)c1 ZINC001237677088 1313689148 /nfs/dbraw/zinc/68/91/48/1313689148.db2.gz WUUFRPYWKNYYIA-MRXNPFEDSA-N 1 0 344.411 2.848 20 10 EFCDRO CCOC(=O)C1(C)CC[NH+](Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237676974 1313689301 /nfs/dbraw/zinc/68/93/01/1313689301.db2.gz VKFRALPGUDAJLA-UHFFFAOYSA-N 1 0 337.416 2.575 20 10 EFCDRO [NH3+][C@H]1C[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)c2ccccc21 ZINC000854230228 1300478662 /nfs/dbraw/zinc/47/86/62/1300478662.db2.gz KHZBNZVONDRHAM-LEWJYISDSA-N 1 0 337.467 2.882 20 10 EFCDRO [NH3+][C@@H]1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)c2ccccc21 ZINC000854230230 1300479014 /nfs/dbraw/zinc/47/90/14/1300479014.db2.gz KHZBNZVONDRHAM-RTWAWAEBSA-N 1 0 337.467 2.882 20 10 EFCDRO [NH3+][C@H]1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)c2ccccc21 ZINC000854230231 1300479465 /nfs/dbraw/zinc/47/94/65/1300479465.db2.gz KHZBNZVONDRHAM-SFTDATJTSA-N 1 0 337.467 2.882 20 10 EFCDRO Cc1ccc(C)c(S(=O)(=O)Nc2cccc(N3CC[NH2+]CC3)c2)c1 ZINC001237746886 1313700987 /nfs/dbraw/zinc/70/09/87/1313700987.db2.gz VKHSKTPDIZIVRR-UHFFFAOYSA-N 1 0 345.468 2.514 20 10 EFCDRO CC(C)NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(F)c1[O-])C2 ZINC001276538664 1313707809 /nfs/dbraw/zinc/70/78/09/1313707809.db2.gz FIGKUTVQUVPFTE-IBGZPJMESA-N 1 0 349.450 2.937 20 10 EFCDRO Cc1cc(C(=O)N2CC(C[NH+](C)C)C2)c(C)n1-c1ccc(F)cc1 ZINC000854722749 1300674815 /nfs/dbraw/zinc/67/48/15/1300674815.db2.gz JHXFLZFHFUJJJP-UHFFFAOYSA-N 1 0 329.419 2.867 20 10 EFCDRO CC(C)c1ccc(S(=O)(=O)Nc2cccc(N3CC([NH3+])C3)c2)cc1 ZINC001237813300 1313711552 /nfs/dbraw/zinc/71/15/52/1313711552.db2.gz MXKIJYWGRKBZLQ-UHFFFAOYSA-N 1 0 345.468 2.758 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c(O)cc1C ZINC000776766982 1300756621 /nfs/dbraw/zinc/75/66/21/1300756621.db2.gz NYBKUXSUXBMIJP-LJQANCHMSA-N 1 0 331.387 2.942 20 10 EFCDRO CC[N@H+](Cc1cccc(N2CCOCC2)n1)Cc1ccccc1O ZINC001237852520 1313721188 /nfs/dbraw/zinc/72/11/88/1313721188.db2.gz WXDBGLYZGUSGME-UHFFFAOYSA-N 1 0 327.428 2.646 20 10 EFCDRO CCOc1ccc(O)c(CN2CCN(CC(F)(F)F)[C@@H](C)C2)c1 ZINC000246119246 1300873371 /nfs/dbraw/zinc/87/33/71/1300873371.db2.gz KGPXQPDDWOEFGO-LBPRGKRZSA-N 1 0 332.366 2.859 20 10 EFCDRO Cc1ccc(O)c(C[NH2+]CCCCN2C(=O)c3ccccc3C2=O)c1 ZINC000113341073 1300959549 /nfs/dbraw/zinc/95/95/49/1300959549.db2.gz VJJDGRJRLDJDNN-UHFFFAOYSA-N 1 0 338.407 2.867 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1O ZINC001238061117 1313753721 /nfs/dbraw/zinc/75/37/21/1313753721.db2.gz NBOSPWZNRHKYLG-IBGZPJMESA-N 1 0 326.371 2.936 20 10 EFCDRO CCn1ncc2c1[C@@H](COC)C[N@H+](Cc1cc(F)cc(C)c1O)C2 ZINC001238063117 1313754455 /nfs/dbraw/zinc/75/44/55/1313754455.db2.gz XQNQHFXYVDAUJB-OAHLLOKOSA-N 1 0 333.407 2.802 20 10 EFCDRO COc1cc(N2CC[NH+](Cc3cc(F)cc(C)c3O)CC2)ccn1 ZINC001238068136 1313754845 /nfs/dbraw/zinc/75/48/45/1313754845.db2.gz USDWZQFCWHMHNK-UHFFFAOYSA-N 1 0 331.391 2.566 20 10 EFCDRO COc1cccnc1O[C@H]1CC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238066292 1313755130 /nfs/dbraw/zinc/75/51/30/1313755130.db2.gz LVYSCWHWKQWMER-HNNXBMFYSA-N 1 0 332.375 2.897 20 10 EFCDRO Cc1cc(F)cc(C[NH+]2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)c1O ZINC001238063913 1313754024 /nfs/dbraw/zinc/75/40/24/1313754024.db2.gz MSBZDDJLVSVGAG-QZTJIDSGSA-N 1 0 341.430 2.799 20 10 EFCDRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[N@@H+]3CCc4cccc(O)c4C3)[C@H]2C1 ZINC001207780976 1313773182 /nfs/dbraw/zinc/77/31/82/1313773182.db2.gz NQWMJWIQTYRQSO-OSYLJGHBSA-N 1 0 344.455 2.863 20 10 EFCDRO CCc1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000796450068 1301643618 /nfs/dbraw/zinc/64/36/18/1301643618.db2.gz JUPHPFRYUZVRHS-NRFANRHFSA-N 1 0 340.467 2.909 20 10 EFCDRO CCc1ccc([C@H](O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000796450070 1301643666 /nfs/dbraw/zinc/64/36/66/1301643666.db2.gz JUPHPFRYUZVRHS-OAQYLSRUSA-N 1 0 340.467 2.909 20 10 EFCDRO O=S(=O)(N[C@]12C[C@H]1C[NH2+]C2)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238303386 1313795360 /nfs/dbraw/zinc/79/53/60/1313795360.db2.gz WNEMHACQVLYICX-BXASSPPCSA-N 1 0 342.424 2.742 20 10 EFCDRO CC[C@H]([NH2+]Cc1nncn1C)c1cc(Br)ccc1O ZINC000038007563 1302007511 /nfs/dbraw/zinc/00/75/11/1302007511.db2.gz XOFRGXPMYXXFPU-NSHDSACASA-N 1 0 325.210 2.524 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H](C)C[NH+](C)C)c1 ZINC000861803421 1302210675 /nfs/dbraw/zinc/21/06/75/1302210675.db2.gz WPCIQKUDRMMUKX-CQSZACIVSA-N 1 0 341.455 2.834 20 10 EFCDRO Oc1cccc(Br)c1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000862252467 1302323257 /nfs/dbraw/zinc/32/32/57/1302323257.db2.gz UPJYNECZVIULLY-JSGCOSHPSA-N 1 0 344.274 2.861 20 10 EFCDRO COC(=O)[C@H]1CC[N@H+](Cc2c(O)cccc2Br)[C@@H]1C ZINC000862338291 1302336501 /nfs/dbraw/zinc/33/65/01/1302336501.db2.gz OLFKCJGCFRFDDP-ZJUUUORDSA-N 1 0 328.206 2.538 20 10 EFCDRO CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2ccc(OC)cc2O)c1C ZINC000862353397 1302343376 /nfs/dbraw/zinc/34/33/76/1302343376.db2.gz NGBPCRCBSBJUAD-UHFFFAOYSA-N 1 0 332.400 2.812 20 10 EFCDRO COCCO[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862357091 1302344979 /nfs/dbraw/zinc/34/49/79/1302344979.db2.gz TVOKTCBVPJXWBN-GFCCVEGCSA-N 1 0 344.249 2.782 20 10 EFCDRO CN(C)c1cc(F)c(CN(CC[NH+](C)C)Cc2ccccn2)cc1F ZINC000862367610 1302349747 /nfs/dbraw/zinc/34/97/47/1302349747.db2.gz PACKRDZREKUTQY-UHFFFAOYSA-N 1 0 348.441 2.990 20 10 EFCDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1c(O)cccc1Br ZINC000862369489 1302352054 /nfs/dbraw/zinc/35/20/54/1302352054.db2.gz USYXRJHYFZTKFK-SMDDNHRTSA-N 1 0 327.266 2.927 20 10 EFCDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC000862387006 1302360128 /nfs/dbraw/zinc/36/01/28/1302360128.db2.gz DWHZLKAMPJJWBX-MFKMUULPSA-N 1 0 342.233 2.976 20 10 EFCDRO Cc1noc(NC(=O)C23CC([NH2+]Cc4cc(F)ccc4O)(C2)C3)c1C ZINC001278248968 1313838586 /nfs/dbraw/zinc/83/85/86/1313838586.db2.gz UXYDUWLJKTYGGT-UHFFFAOYSA-N 1 0 345.374 2.787 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)Cc2ccccc21 ZINC000862539602 1302409149 /nfs/dbraw/zinc/40/91/49/1302409149.db2.gz ZYQVARABEVFARE-QGZVFWFLSA-N 1 0 327.380 2.673 20 10 EFCDRO O=C([C@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2)N1CCCCO1 ZINC001278257592 1313846471 /nfs/dbraw/zinc/84/64/71/1313846471.db2.gz ZXUGEPINSZDNPO-MRXNPFEDSA-N 1 0 348.418 2.687 20 10 EFCDRO O=C([C@@H]1CCC[C@]12CC[N@@H+](Cc1cc(F)ccc1O)C2)N1CC=CC1 ZINC001278257356 1313846801 /nfs/dbraw/zinc/84/68/01/1313846801.db2.gz UJTFNTDVKOIOAU-FXAWDEMLSA-N 1 0 344.430 2.922 20 10 EFCDRO Cc1c(C[N@@H+]2CCC[C@@]3(CN(C)CCO3)C2)c2ccccc2n1C ZINC001276556748 1313850972 /nfs/dbraw/zinc/85/09/72/1313850972.db2.gz QMABPHVEYYRBOR-HXUWFJFHSA-N 1 0 327.472 2.783 20 10 EFCDRO CCOC(=O)N1CCC[N@H+](Cc2c(O)ccc3ccncc32)CC1 ZINC000748298138 1313856872 /nfs/dbraw/zinc/85/68/72/1313856872.db2.gz ZMCAVTAUTGVOLQ-UHFFFAOYSA-N 1 0 329.400 2.605 20 10 EFCDRO CN(C)c1ccc(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000863646509 1302667112 /nfs/dbraw/zinc/66/71/12/1302667112.db2.gz LHNWDDRMQQAQCA-OLZOCXBDSA-N 1 0 333.373 2.851 20 10 EFCDRO Cc1ccc(O)c(CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000864395958 1302922264 /nfs/dbraw/zinc/92/22/64/1302922264.db2.gz DZASEDYKKIESBO-AWEZNQCLSA-N 1 0 333.457 2.864 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000247000524 1303066395 /nfs/dbraw/zinc/06/63/95/1303066395.db2.gz KQCMLPAOBSYSGL-MELADBBJSA-N 1 0 335.448 2.634 20 10 EFCDRO [NH3+][C@@]12C[C@@H]1CN(S(=O)(=O)c1ccc(/N=N/c3ccccc3)cc1)C2 ZINC001239105931 1313903206 /nfs/dbraw/zinc/90/32/06/1313903206.db2.gz BYZZXGCTRAZGOH-LEPCQJGQSA-N 1 0 342.424 2.824 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)c(O)c(C(C)(C)C)c1 ZINC000825568127 1303400409 /nfs/dbraw/zinc/40/04/09/1303400409.db2.gz SAUYXWDEXOXONY-WBMJQRKESA-N 1 0 334.460 2.784 20 10 EFCDRO CCN(C(=O)C12CC([NH2+]Cc3ccc4c(c3)CCO4)(C1)C2)C(C)C ZINC001278290906 1313919570 /nfs/dbraw/zinc/91/95/70/1313919570.db2.gz URVKRJSNFGXJRV-UHFFFAOYSA-N 1 0 328.456 2.891 20 10 EFCDRO CCC[C@H]1CCC[N@H+](Cc2cc(=O)n3ncc(C(=O)OCC)c3[nH]2)C1 ZINC000120952665 1303554057 /nfs/dbraw/zinc/55/40/57/1303554057.db2.gz IVDQQLFWADDQGB-ZDUSSCGKSA-N 1 0 346.431 2.624 20 10 EFCDRO COC(=O)[C@@H](c1cccc(OC)c1)N1CCCc2cc(C[NH3+])ccc21 ZINC000866659713 1303736466 /nfs/dbraw/zinc/73/64/66/1303736466.db2.gz SIQUOHJRLQTLPD-LJQANCHMSA-N 1 0 340.423 2.821 20 10 EFCDRO COc1ccc(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)cc1C ZINC000796499371 1304258451 /nfs/dbraw/zinc/25/84/51/1304258451.db2.gz LGHUOMURZZNABE-UHFFFAOYSA-N 1 0 338.407 2.780 20 10 EFCDRO Oc1cccc2c1C[N@H+](CCOCCOCc1ccccc1)CC2 ZINC001208750890 1314009042 /nfs/dbraw/zinc/00/90/42/1314009042.db2.gz VAOXEIOIHJGNSY-UHFFFAOYSA-N 1 0 327.424 2.984 20 10 EFCDRO CC[C@@H](CCC(=O)OC)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001208780861 1314014861 /nfs/dbraw/zinc/01/48/61/1314014861.db2.gz UPTVQUPUJZHYMR-INIZCTEOSA-N 1 0 334.460 2.797 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000122789938 1304986077 /nfs/dbraw/zinc/98/60/77/1304986077.db2.gz UTXJJPAQHWCWID-HNNXBMFYSA-N 1 0 336.443 2.888 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cccc(-n2cnnn2)c1 ZINC000122911495 1305099727 /nfs/dbraw/zinc/09/97/27/1305099727.db2.gz XGYGTKREYNXQDM-HNNXBMFYSA-N 1 0 348.454 2.896 20 10 EFCDRO CCc1nc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)co1 ZINC001018750808 1314032617 /nfs/dbraw/zinc/03/26/17/1314032617.db2.gz POSNUHGTIRFBIF-HNNXBMFYSA-N 1 0 343.427 2.558 20 10 EFCDRO COCCOc1ccc(N2CC[NH+](C[C@@H]3CCC=CO3)CC2)cc1 ZINC001208882331 1314037359 /nfs/dbraw/zinc/03/73/59/1314037359.db2.gz LJWYPIQVQGJWOK-IBGZPJMESA-N 1 0 332.444 2.527 20 10 EFCDRO CCC(=O)C(C)(C)C[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001208923517 1314047368 /nfs/dbraw/zinc/04/73/68/1314047368.db2.gz SAHMKYFAFCYKEE-UHFFFAOYSA-N 1 0 334.460 2.831 20 10 EFCDRO CC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1CC ZINC001037975589 1305504433 /nfs/dbraw/zinc/50/44/33/1305504433.db2.gz HKZYFWJAIGMADV-IUODEOHRSA-N 1 0 331.420 2.699 20 10 EFCDRO CC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1CC ZINC001037975592 1305504644 /nfs/dbraw/zinc/50/46/44/1305504644.db2.gz HKZYFWJAIGMADV-WFASDCNBSA-N 1 0 331.420 2.699 20 10 EFCDRO CN(C)c1ccc(CNC(=O)c2csc(C3CC[NH2+]CC3)n2)cc1 ZINC000870856061 1305630496 /nfs/dbraw/zinc/63/04/96/1305630496.db2.gz KFGJWNIJDHBFTD-UHFFFAOYSA-N 1 0 344.484 2.606 20 10 EFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000123379303 1305660398 /nfs/dbraw/zinc/66/03/98/1305660398.db2.gz IMOLUULSOPZHQD-IBGZPJMESA-N 1 0 337.467 2.858 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H]1CCC(C)(C)C1)cc2=O ZINC000796531967 1305969754 /nfs/dbraw/zinc/96/97/54/1305969754.db2.gz NLJITZZYQDBHMI-ZDUSSCGKSA-N 1 0 346.431 2.622 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cnccc3C)C2)cc1C ZINC000968268833 1306064423 /nfs/dbraw/zinc/06/44/23/1306064423.db2.gz NAWPOTQYPDVLIC-QGZVFWFLSA-N 1 0 339.439 2.711 20 10 EFCDRO c1ccc(N2CC=C(c3cnc(O[C@@H]4CCC[NH2+]C4)nc3)CC2)cc1 ZINC001241351846 1314112914 /nfs/dbraw/zinc/11/29/14/1314112914.db2.gz FWRUACQNKFORLG-LJQANCHMSA-N 1 0 336.439 2.901 20 10 EFCDRO c1ccc(N2CC=C(c3cnc(OC4CC[NH2+]CC4)nc3)CC2)cc1 ZINC001241359889 1314113258 /nfs/dbraw/zinc/11/32/58/1314113258.db2.gz FAOSSMQSMHNRDM-UHFFFAOYSA-N 1 0 336.439 2.901 20 10 EFCDRO Fc1ccc(Cn2ccc3c2ncnc3-c2cnn(C3C[NH2+]C3)c2)cc1 ZINC001241591578 1314129903 /nfs/dbraw/zinc/12/99/03/1314129903.db2.gz DZCQJUWQAVNLDN-UHFFFAOYSA-N 1 0 348.385 2.627 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](CC2CC2)C2CCC2)cc1 ZINC000796577240 1306476411 /nfs/dbraw/zinc/47/64/11/1306476411.db2.gz NCTXLCWFTSFPGN-UHFFFAOYSA-N 1 0 329.488 2.976 20 10 EFCDRO C[C@H]1C[C@@H]([NH2+]CC2CC2)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001044879919 1306891928 /nfs/dbraw/zinc/89/19/28/1306891928.db2.gz SYTIHKXJEUKUCK-LRDDRELGSA-N 1 0 343.431 2.842 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2ccccn2)cc1C ZINC001044898033 1306905810 /nfs/dbraw/zinc/90/58/10/1306905810.db2.gz ILAWAIQAGHFRBO-KRWDZBQOSA-N 1 0 339.439 2.793 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2ccco2)cc1C ZINC001044901287 1306910267 /nfs/dbraw/zinc/91/02/67/1306910267.db2.gz KYIDYZWXKNXMCM-INIZCTEOSA-N 1 0 328.412 2.991 20 10 EFCDRO CC(C)[NH+]1CCC(C)(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001045648131 1307499996 /nfs/dbraw/zinc/49/99/96/1307499996.db2.gz ZZFCIOPLUMFQQX-UHFFFAOYSA-N 1 0 331.420 2.842 20 10 EFCDRO O=C(/C=C\c1ccccc1)NCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000800312710 1307690973 /nfs/dbraw/zinc/69/09/73/1307690973.db2.gz OVDWOIWAYAMGQD-NTMALXAHSA-N 1 0 336.435 2.931 20 10 EFCDRO C[C@H]1CN(CC[N@H+](C)Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000800328565 1307715375 /nfs/dbraw/zinc/71/53/75/1307715375.db2.gz PCFJDYLZFOAQOX-SFHVURJKSA-N 1 0 331.504 2.829 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](OC)C3CCC3)C2)cc1C ZINC001019201066 1314216831 /nfs/dbraw/zinc/21/68/31/1314216831.db2.gz WEKJQLITEMYDQZ-HKUYNNGSSA-N 1 0 346.471 2.509 20 10 EFCDRO CC[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1cc(Cl)ccc1O ZINC000800502003 1307989827 /nfs/dbraw/zinc/98/98/27/1307989827.db2.gz JNPDVZRYJYZPJQ-OAHLLOKOSA-N 1 0 343.851 2.644 20 10 EFCDRO C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc2ccccc2c1O ZINC000800502874 1307993269 /nfs/dbraw/zinc/99/32/69/1307993269.db2.gz YTYADXVYKGQMAS-OAHLLOKOSA-N 1 0 345.439 2.754 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cocc3C)C2)cc1C ZINC001019255092 1314240803 /nfs/dbraw/zinc/24/08/03/1314240803.db2.gz BCPCVJRPTODSBU-INIZCTEOSA-N 1 0 328.412 2.909 20 10 EFCDRO CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009673244 1308604122 /nfs/dbraw/zinc/60/41/22/1308604122.db2.gz OFOYLVGKCTZFPN-OAHLLOKOSA-N 1 0 331.420 2.843 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000800969459 1308762370 /nfs/dbraw/zinc/76/23/70/1308762370.db2.gz OWWVXHPDJJLFSN-PWIZWCRZSA-N 1 0 329.488 2.595 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cccnc3C)C2)cc1C ZINC001019307364 1314267064 /nfs/dbraw/zinc/26/70/64/1314267064.db2.gz BAWYTNPGAYSDOY-KRWDZBQOSA-N 1 0 339.439 2.711 20 10 EFCDRO COC[C@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CCN1 ZINC001210050901 1314275874 /nfs/dbraw/zinc/27/58/74/1314275874.db2.gz LRKFFKXQRSHFHO-GOSISDBHSA-N 1 0 330.403 2.619 20 10 EFCDRO C[C@@H](F)CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046869997 1309577628 /nfs/dbraw/zinc/57/76/28/1309577628.db2.gz RWOOEANHSRFNKE-SJKOYZFVSA-N 1 0 349.410 2.791 20 10 EFCDRO CCCCN(CCCC)c1ccc(CN2CC[NH2+]C[C@H](O)C2)c(O)c1 ZINC001210476128 1314338846 /nfs/dbraw/zinc/33/88/46/1314338846.db2.gz SDXDFMOCMWDEOZ-IBGZPJMESA-N 1 0 349.519 2.565 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC34CCC4)C2)cc1C ZINC001019442085 1314341150 /nfs/dbraw/zinc/34/11/50/1314341150.db2.gz CTMRQDFYRVLRDM-IRXDYDNUSA-N 1 0 328.456 2.884 20 10 EFCDRO COC[C@H]1C[NH2+]CCN1Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001210546319 1314350153 /nfs/dbraw/zinc/35/01/53/1314350153.db2.gz WZJLXXUVMJVFSQ-CYBMUJFWSA-N 1 0 326.868 2.763 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3(C)CCOCC3)C2)cc1C ZINC001019520175 1314374628 /nfs/dbraw/zinc/37/46/28/1314374628.db2.gz QSTHLTNNADIWFW-KRWDZBQOSA-N 1 0 346.471 2.511 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)c1ccsc1)cc2=O ZINC000801570344 1310539724 /nfs/dbraw/zinc/53/97/24/1310539724.db2.gz PBAOGPRCENYFIF-SNVBAGLBSA-N 1 0 346.412 2.524 20 10 EFCDRO CCCC[N@H+](CC(=O)NCc1cccnc1)Cc1ccccc1O ZINC000801595911 1310573244 /nfs/dbraw/zinc/57/32/44/1310573244.db2.gz MPEIOELWTUBTGI-UHFFFAOYSA-N 1 0 327.428 2.706 20 10 EFCDRO CCCC[N@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1ccccc1O ZINC000801597500 1310574051 /nfs/dbraw/zinc/57/40/51/1310574051.db2.gz ILAPHMNLRODYNR-HNNXBMFYSA-N 1 0 325.474 2.819 20 10 EFCDRO CCCC[N@H+](CC(=O)Nc1c(C)nn(C)c1C)Cc1ccccc1O ZINC000801596853 1310575580 /nfs/dbraw/zinc/57/55/80/1310575580.db2.gz RCQRFBUGYFHNGV-UHFFFAOYSA-N 1 0 344.459 2.983 20 10 EFCDRO Clc1cc(CN2CCC[C@]23CCC[NH2+]C3)ccc1N1CCOCC1 ZINC001222247147 1311104770 /nfs/dbraw/zinc/10/47/70/1311104770.db2.gz CZNWYQUQEMNUAT-IBGZPJMESA-N 1 0 349.906 2.895 20 10 EFCDRO Cc1cc(O)c(CN2CCC[C@@]3(CC[NH2+]3)C2)cc1Br ZINC001222287533 1311110419 /nfs/dbraw/zinc/11/04/19/1311110419.db2.gz LPHUJOWIFADOSM-OAHLLOKOSA-N 1 0 325.250 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)c3ccc[nH]3)C2)cc1C ZINC001047719407 1311112849 /nfs/dbraw/zinc/11/28/49/1311112849.db2.gz FPXYYNGIKQYXJB-NVXWUHKLSA-N 1 0 341.455 2.972 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)c3ccon3)C2)cc1C ZINC001047745370 1311139442 /nfs/dbraw/zinc/13/94/42/1311139442.db2.gz VXZPFSSKKHDYMM-HOCLYGCPSA-N 1 0 343.427 2.632 20 10 EFCDRO [NH3+]CC1(F)CC[NH+](Cc2c([O-])cc(Br)cc2F)CC1 ZINC001222548320 1311151151 /nfs/dbraw/zinc/15/11/51/1311151151.db2.gz GAZWEGURMJWZNL-UHFFFAOYSA-N 1 0 335.192 2.557 20 10 EFCDRO Cc1cc(Br)cc(C[N@H+]2CCCC3(CN(C)C3)C2)c1O ZINC001276861149 1311213498 /nfs/dbraw/zinc/21/34/98/1311213498.db2.gz MRGGEDBTUBEATK-UHFFFAOYSA-N 1 0 339.277 2.991 20 10 EFCDRO CC(C)(C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001276914147 1311294901 /nfs/dbraw/zinc/29/49/01/1311294901.db2.gz ODWRNMGBGVKBRR-AWEZNQCLSA-N 1 0 332.444 2.615 20 10 EFCDRO CCOc1ccc(N2C[C@@H]3CC[N@@H+](CCN(C)C)CC[C@@H]3C2)cc1 ZINC001276926601 1311312253 /nfs/dbraw/zinc/31/22/53/1311312253.db2.gz VUIFOGZVMBVPMT-HDICACEKSA-N 1 0 331.504 2.795 20 10 EFCDRO CCOc1ccc(N2CC[C@H]3C[N@H+](Cc4cccc(=O)[nH]4)C[C@H]32)cc1 ZINC001276926753 1311312553 /nfs/dbraw/zinc/31/25/53/1311312553.db2.gz WXXHBSWFVHNUQD-HNAYVOBHSA-N 1 0 339.439 2.897 20 10 EFCDRO COc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccc(=O)[nH]2)cc1 ZINC001276927494 1311313333 /nfs/dbraw/zinc/31/33/33/1311313333.db2.gz SISWGACNNVTLQJ-ROUUACIJSA-N 1 0 325.412 2.649 20 10 EFCDRO COCCOC[N@@H+]1CCCC2(CCN(c3ccc(OC)cc3)CC2)C1 ZINC001276927378 1311313529 /nfs/dbraw/zinc/31/35/29/1311313529.db2.gz QGUICJXFEBRJOY-UHFFFAOYSA-N 1 0 348.487 2.998 20 10 EFCDRO Cc1cc(C[NH2+]C23CC(C(=O)N4CCCCO4)(C2)C3)ccc1N(C)C ZINC001276928849 1311315812 /nfs/dbraw/zinc/31/58/12/1311315812.db2.gz BZHWPXHYQLAIEV-UHFFFAOYSA-N 1 0 343.471 2.627 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]C23CC(C(=O)N4CC=CC4)(C2)C3)cc1 ZINC001276966767 1311380629 /nfs/dbraw/zinc/38/06/29/1311380629.db2.gz CVKOGSBZXLTNOZ-UHFFFAOYSA-N 1 0 339.483 2.944 20 10 EFCDRO COc1ccc(N2C[C@@H]3C[N@H+](C4CCCC4)C[C@H](C2)O3)c(OC)c1 ZINC001276994142 1311430172 /nfs/dbraw/zinc/43/01/72/1311430172.db2.gz JXUJRSCUZATOTA-CALCHBBNSA-N 1 0 332.444 2.536 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C3CCC3)C[C@H]2C)cc1C ZINC001048094625 1311451017 /nfs/dbraw/zinc/45/10/17/1311451017.db2.gz BQCVVZJHMPVSRD-QAPCUYQASA-N 1 0 330.472 2.988 20 10 EFCDRO COc1ccc(N2CC3(C2)CC[N@H+](Cc2cccc(=O)[nH]2)C3)cc1F ZINC001277009957 1311456465 /nfs/dbraw/zinc/45/64/65/1311456465.db2.gz PNIVEZMXKWUUAW-UHFFFAOYSA-N 1 0 343.402 2.647 20 10 EFCDRO COc1ccc(N2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)cc1F ZINC001277009657 1311456553 /nfs/dbraw/zinc/45/65/53/1311456553.db2.gz LOVSYYZWWRPNGX-UHFFFAOYSA-N 1 0 330.407 2.660 20 10 EFCDRO COc1ccc(N2CCC[C@]3(CC[N@H+](CCN(C)C)C3)C2)cc1F ZINC001277010659 1311457664 /nfs/dbraw/zinc/45/76/64/1311457664.db2.gz VOTMZQWVZCZZJG-LJQANCHMSA-N 1 0 335.467 2.688 20 10 EFCDRO FC(F)(F)CCC[NH+]1CC2(CN(c3ccc4c(c3)OCCO4)C2)C1 ZINC001277014043 1311463093 /nfs/dbraw/zinc/46/30/93/1311463093.db2.gz LUCXMKGDJXAAQR-UHFFFAOYSA-N 1 0 342.361 2.922 20 10 EFCDRO CCN(c1ccc2c(c1)CC[NH2+]C2)c1nc(Br)cnc1N ZINC001159176936 1311467413 /nfs/dbraw/zinc/46/74/13/1311467413.db2.gz SZUZONBLCGDLHG-UHFFFAOYSA-N 1 0 348.248 2.625 20 10 EFCDRO CCn1ccnc1CN1C[C@H]2C[C@@H](C1)N2c1ccc(OC)cc1C ZINC001277018715 1311474191 /nfs/dbraw/zinc/47/41/91/1311474191.db2.gz OEURRWNJRYIQBE-IYBDPMFKSA-N 1 0 326.444 2.683 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C(C)(F)F)C[C@@H]2C)cc1C ZINC001048115457 1311474225 /nfs/dbraw/zinc/47/42/25/1311474225.db2.gz XIXWAZLZWCQOAA-DZGCQCFKSA-N 1 0 340.414 2.843 20 10 EFCDRO COc1ccc(N2CC3(C2)CC[N@H+](Cc2cccc(=O)[nH]2)C3)c(C)c1 ZINC001277018971 1311474447 /nfs/dbraw/zinc/47/44/47/1311474447.db2.gz RPLAMMWVVDZEJD-UHFFFAOYSA-N 1 0 339.439 2.817 20 10 EFCDRO COc1ccc(N2CCC3(C[NH+](CCn4ccnc4)C3)CC2)c(C)c1 ZINC001277021696 1311482975 /nfs/dbraw/zinc/48/29/75/1311482975.db2.gz DCIZCFPEHYJEOX-UHFFFAOYSA-N 1 0 340.471 2.803 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CSC)C[C@@H]2C)cc1C ZINC001048122874 1311483451 /nfs/dbraw/zinc/48/34/51/1311483451.db2.gz CKFZGRLCNQZMNV-GOEBONIOSA-N 1 0 336.501 2.551 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@@H](C)OC)cc1C ZINC001225266121 1311497650 /nfs/dbraw/zinc/49/76/50/1311497650.db2.gz UBOAGYIENXLKLH-KBAYOESNSA-N 1 0 348.487 2.946 20 10 EFCDRO Nc1cccc2c1C(=O)c1cccc(NC=C3CC[NH2+]CC3)c1C2=O ZINC001159782241 1311583499 /nfs/dbraw/zinc/58/34/99/1311583499.db2.gz CBESXXPYIHCFLC-UHFFFAOYSA-N 1 0 333.391 2.723 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](O)C(C)C)cc1C ZINC001226035998 1311603943 /nfs/dbraw/zinc/60/39/43/1311603943.db2.gz ICPUSBYTQIBGKG-ZHALLVOQSA-N 1 0 348.487 2.538 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)COCC2CCCC2)cc1C ZINC001160150391 1311655331 /nfs/dbraw/zinc/65/53/31/1311655331.db2.gz BAKRJVYYRPIQJY-UHFFFAOYSA-N 1 0 348.487 2.806 20 10 EFCDRO Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3C)c(O)cc1Br ZINC001277143851 1311701217 /nfs/dbraw/zinc/70/12/17/1311701217.db2.gz DLQUYZUXJVQLBU-KBPBESRZSA-N 1 0 325.250 2.742 20 10 EFCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000902419872 1311730311 /nfs/dbraw/zinc/73/03/11/1311730311.db2.gz UMTOLAUYXVTSCY-AWEZNQCLSA-N 1 0 329.396 2.939 20 10 EFCDRO O=C(NCC[NH2+]Cc1c(O)cccc1Cl)c1c(F)cccc1F ZINC000113342746 1311738668 /nfs/dbraw/zinc/73/86/68/1311738668.db2.gz DQQUJMCKTILLCS-UHFFFAOYSA-N 1 0 340.757 2.843 20 10 EFCDRO NC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001277208928 1311806809 /nfs/dbraw/zinc/80/68/09/1311806809.db2.gz AGAWOZBMMOUXTN-UYAOXDASSA-N 1 0 327.472 2.764 20 10 EFCDRO C[C@@H](C[N+](C)(C)C)Oc1c(O)c(O)ccc1C(=O)c1ccccc1 ZINC001227940566 1311876583 /nfs/dbraw/zinc/87/65/83/1311876583.db2.gz MMRLSTWTQVVMGS-ZDUSSCGKSA-O 1 0 330.404 2.802 20 10 EFCDRO Cn1nccc1[C@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000902577091 1311895803 /nfs/dbraw/zinc/89/58/03/1311895803.db2.gz ZGPNUBKUIVDVBQ-LJQANCHMSA-N 1 0 327.428 2.578 20 10 EFCDRO C[C@H](C[N+](C)(C)C)Oc1cccc2c1C(=O)c1cccc(O)c1C2=O ZINC001229191868 1312059501 /nfs/dbraw/zinc/05/95/01/1312059501.db2.gz FNIRUZBJICSBNR-GFCCVEGCSA-O 1 0 340.399 2.641 20 10 EFCDRO O=C(NC1CCC(F)CC1)[C@H]1CC12C[NH+](Cc1ccccc1O)C2 ZINC001277441534 1312176099 /nfs/dbraw/zinc/17/60/99/1312176099.db2.gz NGAWPCHLSSSQPX-UYSNPLJNSA-N 1 0 332.419 2.611 20 10 EFCDRO COc1cccc(C[NH+]2CCC3(CC[C@H](C(=O)N(C)C)C3)CC2)c1O ZINC001277451827 1312213415 /nfs/dbraw/zinc/21/34/15/1312213415.db2.gz IUYHXGJYEIQZAE-HNNXBMFYSA-N 1 0 346.471 2.871 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(NCc2nnc3n2CCC[NH2+]C3)cc1 ZINC001163017562 1312226927 /nfs/dbraw/zinc/22/69/27/1312226927.db2.gz KKBQFPLEGLGMLN-UHFFFAOYSA-N 1 0 336.443 2.791 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2occ3c2CCC3)cc1C ZINC001163308925 1312285899 /nfs/dbraw/zinc/28/58/99/1312285899.db2.gz IBBGEPNQOIMEMQ-UHFFFAOYSA-N 1 0 342.439 2.995 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CCCC23CC3)c1 ZINC001277461901 1312306050 /nfs/dbraw/zinc/30/60/50/1312306050.db2.gz CLHIGDWHXCVLGS-MGPUTAFESA-N 1 0 342.439 2.520 20 10 EFCDRO CC(C)N(CCC[NH3+])c1ccc([C@H](C)NC(=O)C(F)(F)F)cc1 ZINC001164128748 1312453173 /nfs/dbraw/zinc/45/31/73/1312453173.db2.gz GXLXDTBSSTWBTO-LBPRGKRZSA-N 1 0 331.382 2.990 20 10 EFCDRO C[C@@H](C[N+](C)(C)C)Oc1cc(O)ccc1C(=O)c1ccc(O)c(O)c1 ZINC001231343685 1312481145 /nfs/dbraw/zinc/48/11/45/1312481145.db2.gz CNSFLYOQNTXTHI-LBPRGKRZSA-O 1 0 346.403 2.508 20 10 EFCDRO Cc1cc(F)cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)c1O ZINC001277519745 1312500171 /nfs/dbraw/zinc/50/01/71/1312500171.db2.gz JPKQORNFQOLCQP-HOTGVXAUSA-N 1 0 335.423 2.606 20 10 EFCDRO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231452109 1312500396 /nfs/dbraw/zinc/50/03/96/1312500396.db2.gz ALRXOULQPXLOBQ-IRXDYDNUSA-N 1 0 332.444 2.929 20 10 EFCDRO C[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccc(C(=O)[O-])cc1O ZINC001231455040 1312501202 /nfs/dbraw/zinc/50/12/02/1312501202.db2.gz VJINBWOQNYEYDY-UHFFFAOYSA-N 1 0 337.379 2.908 20 10 EFCDRO COc1ccc(Br)c(C[N@@H+]2CCC[C@@](C)(O)C2)c1O ZINC001231554595 1312523967 /nfs/dbraw/zinc/52/39/67/1312523967.db2.gz YWSJTWDDBZBKAM-CQSZACIVSA-N 1 0 330.222 2.510 20 10 EFCDRO COc1ccc(Br)c(C[NH+]2CCC(C(C)=O)CC2)c1O ZINC001231554000 1312524292 /nfs/dbraw/zinc/52/42/92/1312524292.db2.gz DRZCEEKXYPOFIA-UHFFFAOYSA-N 1 0 342.233 2.964 20 10 EFCDRO COc1ccc(Br)c(CN2CCC[C@H]2C[NH+](C)C)c1O ZINC001231553718 1312524483 /nfs/dbraw/zinc/52/44/83/1312524483.db2.gz BMLVMZVEKZFBPD-NSHDSACASA-N 1 0 343.265 2.689 20 10 EFCDRO C[NH+]1CCC(C2CC[NH+](Cc3cc(C(=O)[O-])ccc3O)CC2)CC1 ZINC001231563903 1312525971 /nfs/dbraw/zinc/52/59/71/1312525971.db2.gz GEYXFRQTNWOVRY-UHFFFAOYSA-N 1 0 332.444 2.644 20 10 EFCDRO CN(C)C(=O)NC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC001231589429 1312528559 /nfs/dbraw/zinc/52/85/59/1312528559.db2.gz IMWCJDNATNKDPD-UHFFFAOYSA-N 1 0 327.428 2.781 20 10 EFCDRO Oc1ccc2ccccc2c1CN1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001231589767 1312528835 /nfs/dbraw/zinc/52/88/35/1312528835.db2.gz QBPFATNYZOMWOV-KRWDZBQOSA-N 1 0 326.440 2.842 20 10 EFCDRO CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231590526 1312528904 /nfs/dbraw/zinc/52/89/04/1312528904.db2.gz GHCYXQJDYBMQHL-MRXNPFEDSA-N 1 0 342.439 2.663 20 10 EFCDRO C[C@@H]1CN(C2C[NH+](Cc3c(O)ccc4ccccc43)C2)C[C@@H](C)O1 ZINC001231589778 1312528976 /nfs/dbraw/zinc/52/89/76/1312528976.db2.gz QIVYYNPOSXGLLF-HUUCEWRRSA-N 1 0 326.440 2.839 20 10 EFCDRO COc1cc(C[NH+]2CCN(c3ccc(C)cc3)CC2)c(O)cc1O ZINC001231633983 1312536031 /nfs/dbraw/zinc/53/60/31/1312536031.db2.gz FFEDYPMOCOVEGC-UHFFFAOYSA-N 1 0 328.412 2.737 20 10 EFCDRO COc1cc(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)c(O)cc1O ZINC001231632654 1312536039 /nfs/dbraw/zinc/53/60/39/1312536039.db2.gz AESRHBCVHOECBR-UHFFFAOYSA-N 1 0 346.471 2.947 20 10 EFCDRO COc1ccc(C[N@@H+](C)Cc2cc(OC)c(O)cc2O)cc1OC ZINC001231635739 1312536266 /nfs/dbraw/zinc/53/62/66/1312536266.db2.gz JDRPNQLLGWWDLY-UHFFFAOYSA-N 1 0 333.384 2.756 20 10 EFCDRO CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231635441 1312536338 /nfs/dbraw/zinc/53/63/38/1312536338.db2.gz ZACAPLVXCDLBAB-GOSISDBHSA-N 1 0 337.416 2.662 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@H](c3nc(C(C)C)no3)C2)c(O)cc1O ZINC001231637661 1312536552 /nfs/dbraw/zinc/53/65/52/1312536552.db2.gz PTRDAWLDPCNRSX-LBPRGKRZSA-N 1 0 347.415 2.992 20 10 EFCDRO COc1ccccc1O[C@@H]1CC[N@@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231636646 1312537263 /nfs/dbraw/zinc/53/72/63/1312537263.db2.gz ZDCLFZQMIROPGQ-CQSZACIVSA-N 1 0 345.395 2.768 20 10 EFCDRO COc1cc(C[NH+]2CCC(Oc3ccccn3)CC2)c(O)cc1O ZINC001231635752 1312537381 /nfs/dbraw/zinc/53/73/81/1312537381.db2.gz JZOFXYZDKRZEBW-UHFFFAOYSA-N 1 0 330.384 2.545 20 10 EFCDRO COc1cc(C[NH+]2CCC(Cc3ccncc3)CC2)c(O)cc1O ZINC001231639577 1312537736 /nfs/dbraw/zinc/53/77/36/1312537736.db2.gz UZUKAIMWKQXPLH-UHFFFAOYSA-N 1 0 328.412 2.956 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)c(O)cc1O ZINC001231640170 1312538082 /nfs/dbraw/zinc/53/80/82/1312538082.db2.gz PRLOWASCXGDOIM-OAHLLOKOSA-N 1 0 330.384 2.545 20 10 EFCDRO COc1cc(C[N@H+](Cc2ccccc2)CC(C)(C)O)c(O)cc1O ZINC001231639536 1312538161 /nfs/dbraw/zinc/53/81/61/1312538161.db2.gz SEISKWPZAWQXBF-UHFFFAOYSA-N 1 0 331.412 2.880 20 10 EFCDRO Cc1noc(NC(=O)[C@@H]2CC23C[NH+](Cc2ccc(C)cc2O)C3)c1C ZINC001277560219 1312557641 /nfs/dbraw/zinc/55/76/41/1312557641.db2.gz SQBYPHUTOLWXRS-HNNXBMFYSA-N 1 0 341.411 2.766 20 10 EFCDRO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@H](CC(=O)NC(C)(C)C)O[C@H]3C2)c(O)c1 ZINC001277567360 1312566047 /nfs/dbraw/zinc/56/60/47/1312566047.db2.gz GDJYQGRBQHDQHL-RYRKJORJSA-N 1 0 346.471 2.595 20 10 EFCDRO Cc1ccc(C[NH+]2CC3(C[C@H]3C(=O)NC3CCC(F)CC3)C2)c(O)c1 ZINC001277569052 1312567923 /nfs/dbraw/zinc/56/79/23/1312567923.db2.gz UCWRXIRNFZOOBB-JCYILVPMSA-N 1 0 346.446 2.919 20 10 EFCDRO CCN(C)c1ncnc2c1CC[N@H+](Cc1c(C)cc(C)cc1O)CC2 ZINC001231843605 1312572413 /nfs/dbraw/zinc/57/24/13/1312572413.db2.gz BBLADQSURZYBLD-UHFFFAOYSA-N 1 0 340.471 2.856 20 10 EFCDRO Cc1noc(C[C@H]2C[C@H]3C[N@H+](Cc4c(C)cc(C)cc4O)C[C@H]3O2)n1 ZINC001231844373 1312573074 /nfs/dbraw/zinc/57/30/74/1312573074.db2.gz JVPLOHSJCVCNQM-HDMKZQKVSA-N 1 0 343.427 2.532 20 10 EFCDRO Cc1cc(C)c(C[N@@H+]2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1 ZINC001231844973 1312573133 /nfs/dbraw/zinc/57/31/33/1312573133.db2.gz UQKHPJKBVSIENJ-SCAQPMJSSA-N 1 0 332.444 2.964 20 10 EFCDRO COCCN1C(=O)CCC12CC[NH+](Cc1c(C)cc(C)cc1O)CC2 ZINC001231844307 1312573434 /nfs/dbraw/zinc/57/34/34/1312573434.db2.gz IPVVQPFICHKIQW-UHFFFAOYSA-N 1 0 346.471 2.612 20 10 EFCDRO Cc1cc(C)c(C[NH+]2CCN(CCc3ccccn3)CC2)c(O)c1 ZINC001231844051 1312573460 /nfs/dbraw/zinc/57/34/60/1312573460.db2.gz GAARZWRZQXCSAP-UHFFFAOYSA-N 1 0 325.456 2.764 20 10 EFCDRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(N(C)C)cc1OC)C2 ZINC001231851603 1312574276 /nfs/dbraw/zinc/57/42/76/1312574276.db2.gz AEOZFLBAHFIAKF-WOJBJXKFSA-N 1 0 348.487 2.779 20 10 EFCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)c3ccncc3)C2)c(O)c1 ZINC001231850437 1312574550 /nfs/dbraw/zinc/57/45/50/1312574550.db2.gz PKQHJQCHXFNJQV-QGZVFWFLSA-N 1 0 339.439 2.798 20 10 EFCDRO CCOC(=O)[C@H]1CCCC[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231854753 1312574650 /nfs/dbraw/zinc/57/46/50/1312574650.db2.gz LOPJATDPFQERCF-INIZCTEOSA-N 1 0 334.460 2.926 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](NC(=O)C2CCC2)C1 ZINC001231854421 1312574695 /nfs/dbraw/zinc/57/46/95/1312574695.db2.gz DDWLAVVULLUIGH-QGZVFWFLSA-N 1 0 345.487 2.642 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001231853149 1312574831 /nfs/dbraw/zinc/57/48/31/1312574831.db2.gz GSPJUNYKGDZURJ-UHFFFAOYSA-N 1 0 345.487 2.596 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](Oc2ncc(C)cn2)C1 ZINC001231858338 1312575724 /nfs/dbraw/zinc/57/57/24/1312575724.db2.gz UESVQBOFDYNBKZ-KRWDZBQOSA-N 1 0 342.443 2.513 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CCCN(c3ncccn3)CC2)cc1Cl ZINC001231870838 1312578392 /nfs/dbraw/zinc/57/83/92/1312578392.db2.gz VDHSBPUIGOZVAE-UHFFFAOYSA-N 1 0 332.835 2.856 20 10 EFCDRO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)N2Cc1ccc2ccccc2c1O ZINC001231880547 1312580150 /nfs/dbraw/zinc/58/01/50/1312580150.db2.gz HNQCRIJOAUGKON-OSYLJGHBSA-N 1 0 341.407 2.698 20 10 EFCDRO C[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ccc(Cl)cc1O ZINC000903373469 1312609256 /nfs/dbraw/zinc/60/92/56/1312609256.db2.gz WIYJKJRYEUAADY-LBPRGKRZSA-N 1 0 341.835 2.744 20 10 EFCDRO CC(C)C[N@H+]1C[C@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]2C1 ZINC001049243648 1312620770 /nfs/dbraw/zinc/62/07/70/1312620770.db2.gz YKNAWPCIETVEAX-GASCZTMLSA-N 1 0 343.431 2.509 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[C@@H](OC)C2)cc1C ZINC001165426737 1312628058 /nfs/dbraw/zinc/62/80/58/1312628058.db2.gz ZKIDFNIRWBDVLP-ZWKOTPCHSA-N 1 0 348.487 2.805 20 10 EFCDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232194791 1312646260 /nfs/dbraw/zinc/64/62/60/1312646260.db2.gz MMLLRVQMQGCNPC-GASCZTMLSA-N 1 0 334.847 2.873 20 10 EFCDRO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232194249 1312646296 /nfs/dbraw/zinc/64/62/96/1312646296.db2.gz GPZHUDBIYIUAOA-GDBMZVCRSA-N 1 0 338.879 2.769 20 10 EFCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@H]1O ZINC001232195186 1312646661 /nfs/dbraw/zinc/64/66/61/1312646661.db2.gz RIRPGZZGIAADPC-KBXCAEBGSA-N 1 0 338.879 2.769 20 10 EFCDRO Clc1cc(CN2CCC[N@@H+]3CCC[C@H]3C2)ccc1N1CCOCC1 ZINC001232199755 1312647281 /nfs/dbraw/zinc/64/72/81/1312647281.db2.gz JBFHNPOZSQKEHX-KRWDZBQOSA-N 1 0 349.906 2.847 20 10 EFCDRO CC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232200059 1312647413 /nfs/dbraw/zinc/64/74/13/1312647413.db2.gz OGQCLNYRTRTQMM-MRXNPFEDSA-N 1 0 336.863 2.978 20 10 EFCDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232203276 1312648439 /nfs/dbraw/zinc/64/84/39/1312648439.db2.gz RXLYCBGBTQMHEC-INIZCTEOSA-N 1 0 337.895 2.703 20 10 EFCDRO Clc1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)ccc1N1CCOCC1 ZINC001232203249 1312648724 /nfs/dbraw/zinc/64/87/24/1312648724.db2.gz QYOJWWOOURAXLA-QGZVFWFLSA-N 1 0 349.906 2.847 20 10 EFCDRO O=C1Nc2ccccc2[C@H]2C[N@H+](Cc3cc(Cl)c(O)cc3O)C[C@H]12 ZINC001232258141 1312660045 /nfs/dbraw/zinc/66/00/45/1312660045.db2.gz QXWYDQPQUMDWIT-OLZOCXBDSA-N 1 0 344.798 2.919 20 10 EFCDRO CC(=O)N1CCCC[C@]12CC[N@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232261139 1312660796 /nfs/dbraw/zinc/66/07/96/1312660796.db2.gz DCEHRVNDMBTPLY-QGZVFWFLSA-N 1 0 338.835 2.728 20 10 EFCDRO CCOC(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232261169 1312660971 /nfs/dbraw/zinc/66/09/71/1312660971.db2.gz WENWODJQNLNPSW-LLVKDONJSA-N 1 0 327.808 2.916 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)cc1Cl ZINC001232265069 1312661805 /nfs/dbraw/zinc/66/18/05/1312661805.db2.gz GRLKQYGZOPLFNG-QGZVFWFLSA-N 1 0 338.835 2.689 20 10 EFCDRO CC(C)(C)C(=O)NC1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232264236 1312662097 /nfs/dbraw/zinc/66/20/97/1312662097.db2.gz ZQTHECLPQIXLOE-UHFFFAOYSA-N 1 0 340.851 2.878 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)cc1Cl ZINC001232263863 1312662299 /nfs/dbraw/zinc/66/22/99/1312662299.db2.gz AXUVMRDBRRVCAY-ZJUUUORDSA-N 1 0 339.741 2.657 20 10 EFCDRO Cc1nccnc1O[C@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232264589 1312662317 /nfs/dbraw/zinc/66/23/17/1312662317.db2.gz JILOBJXISSVLQD-LBPRGKRZSA-N 1 0 335.791 2.503 20 10 EFCDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232270141 1312662536 /nfs/dbraw/zinc/66/25/36/1312662536.db2.gz VDHGTQBVYMVHKT-LLVKDONJSA-N 1 0 327.808 2.829 20 10 EFCDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232268390 1312662571 /nfs/dbraw/zinc/66/25/71/1312662571.db2.gz OYSUXYWLEBCBIK-SNVBAGLBSA-N 1 0 327.808 2.915 20 10 EFCDRO COC(=O)CC1CC[NH+](Cc2cc(Cl)c(OC)cc2O)CC1 ZINC001232268461 1312663130 /nfs/dbraw/zinc/66/31/30/1312663130.db2.gz RGAXWFAKRFOVIY-UHFFFAOYSA-N 1 0 327.808 2.829 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](Oc3ncncc3C)C2)cc1Cl ZINC001232271252 1312663933 /nfs/dbraw/zinc/66/39/33/1312663933.db2.gz SVIKKTJNEXICEK-ZDUSSCGKSA-N 1 0 349.818 2.806 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3C[N@H+](C)CCN3)n2)cc1 ZINC001211457172 1314505046 /nfs/dbraw/zinc/50/50/46/1314505046.db2.gz GWVKBPCYHKEXSD-KRWDZBQOSA-N 1 0 337.427 2.720 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCC[N@H+](CC3CC3)CC2)cc1 ZINC001052965122 1314523783 /nfs/dbraw/zinc/52/37/83/1314523783.db2.gz LMPSPPRDHDHPNX-HNNXBMFYSA-N 1 0 343.431 2.843 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cncc(C)c3)C2)cc1C ZINC001020044388 1314583528 /nfs/dbraw/zinc/58/35/28/1314583528.db2.gz JFHNEURJIVLKHN-IYARVYRRSA-N 1 0 339.439 2.758 20 10 EFCDRO C[C@H]1C[C@H](N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)CC[NH2+]1 ZINC001246343868 1314613534 /nfs/dbraw/zinc/61/35/34/1314613534.db2.gz SOEAZJTYFIWTBT-TUGJPZLJSA-N 1 0 341.455 2.569 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc(C)sn3)C2)cc1C ZINC001020113367 1314615702 /nfs/dbraw/zinc/61/57/02/1314615702.db2.gz KEXCMDPXZLNEJR-SHTZXODSSA-N 1 0 345.468 2.819 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCOCC3)C2)cc1C ZINC001020114989 1314616465 /nfs/dbraw/zinc/61/64/65/1314616465.db2.gz LLCQPWPXTOBYOI-BZSNNMDCSA-N 1 0 346.471 2.557 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccncc3C)C2)cc1C ZINC001020133533 1314625603 /nfs/dbraw/zinc/62/56/03/1314625603.db2.gz YULBMYLAAQFYQJ-QAQDUYKDSA-N 1 0 339.439 2.758 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)COC(C)(C)C)C[C@H]2C)cc1C ZINC001214475391 1314697829 /nfs/dbraw/zinc/69/78/29/1314697829.db2.gz CXKFIGHEDRLORS-NVXWUHKLSA-N 1 0 348.487 2.755 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC3(F)F)C2)cc1C ZINC001020277682 1314702263 /nfs/dbraw/zinc/70/22/63/1314702263.db2.gz QNKAKSZASAWWGY-KKUMJFAQSA-N 1 0 338.398 2.786 20 10 EFCDRO CCOc1ccc(N2CCN([C@@H]3CC[NH2+][C@H](C(C)C)C3)CC2)cc1 ZINC001246948775 1314712960 /nfs/dbraw/zinc/71/29/60/1314712960.db2.gz LQYCXTOPWLQQJO-QUCCMNQESA-N 1 0 331.504 2.984 20 10 EFCDRO COc1cc2[nH]c(-c3ccc(N4CC[NH2+]CC4)cc3)nc2cc1F ZINC001247015478 1314731432 /nfs/dbraw/zinc/73/14/32/1314731432.db2.gz YGBSTUFABYLEJA-UHFFFAOYSA-N 1 0 326.375 2.787 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[C@H](OC)C3)C2)cc1C ZINC001020323903 1314733081 /nfs/dbraw/zinc/73/30/81/1314733081.db2.gz RXBVPIMLWLVHEH-XSLAGTTESA-N 1 0 346.471 2.556 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H](O)c1cccc(F)c1 ZINC000749116149 1314754051 /nfs/dbraw/zinc/75/40/51/1314754051.db2.gz JGILBAURTYZNOS-YWZLYKJASA-N 1 0 344.430 2.874 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3C[NH2+]C[C@@H](O)C3)n2)cc1 ZINC001247752909 1314834593 /nfs/dbraw/zinc/83/45/93/1314834593.db2.gz VICLZHLHEOOKOA-WBVHZDCISA-N 1 0 338.411 2.582 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@]34C[NH2+]C[C@H]3CCN4)n2)cc1 ZINC001247834734 1314849674 /nfs/dbraw/zinc/84/96/74/1314849674.db2.gz ILJKZIBABKBHKP-UZLBHIALSA-N 1 0 349.438 2.552 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@]34C[NH2+]C[C@@H]3CCN4)n2)cc1 ZINC001247834728 1314849799 /nfs/dbraw/zinc/84/97/99/1314849799.db2.gz ILJKZIBABKBHKP-OXJNMPFZSA-N 1 0 349.438 2.552 20 10 EFCDRO COc1cc(I)cc(C[NH+]2CCCC2)c1O ZINC001248386195 1314930587 /nfs/dbraw/zinc/93/05/87/1314930587.db2.gz IMRAHNLKQJZXSB-UHFFFAOYSA-N 1 0 333.169 2.601 20 10 EFCDRO Oc1cc2c(cc1O)C[N@H+](Cc1ccc(-n3nccn3)cc1)CCC2 ZINC001248772340 1314963584 /nfs/dbraw/zinc/96/35/84/1314963584.db2.gz RZQBPTARQLTVDU-UHFFFAOYSA-N 1 0 336.395 2.627 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccccn1 ZINC001318341033 1328558998 /nfs/dbraw/zinc/55/89/98/1328558998.db2.gz YHIVXDXIOYOACY-HNNXBMFYSA-N 1 0 328.435 2.823 20 10 EFCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)cc1Cl ZINC001248879675 1314989937 /nfs/dbraw/zinc/98/99/37/1314989937.db2.gz CINVORAKKUPZPE-AEFFLSMTSA-N 1 0 341.879 2.908 20 10 EFCDRO CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001216893610 1315020306 /nfs/dbraw/zinc/02/03/06/1315020306.db2.gz FBAYFRBHFQFETN-WOSRLPQWSA-N 1 0 345.447 2.945 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(CCOCC[NH3+])n2)cc1 ZINC001249160030 1315026891 /nfs/dbraw/zinc/02/68/91/1315026891.db2.gz LRGQUXODSGSEKN-UHFFFAOYSA-N 1 0 326.400 2.662 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c(O)c1 ZINC001249171399 1315028225 /nfs/dbraw/zinc/02/82/25/1315028225.db2.gz BHUGOHDMCSBWCM-CHWSQXEVSA-N 1 0 349.324 2.688 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)c(O)c1 ZINC001249171933 1315028623 /nfs/dbraw/zinc/02/86/23/1315028623.db2.gz HMCNUNQLKGVZEQ-HNNXBMFYSA-N 1 0 349.324 2.832 20 10 EFCDRO COC(=O)Cc1ccc(C[N@H+](C2CCC2)C2CCOCC2)c(O)c1 ZINC001249218689 1315033670 /nfs/dbraw/zinc/03/36/70/1315033670.db2.gz ZNNYYUXQFYIEST-UHFFFAOYSA-N 1 0 333.428 2.641 20 10 EFCDRO COC(=O)Cc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(O)c1 ZINC001249214656 1315034065 /nfs/dbraw/zinc/03/40/65/1315034065.db2.gz PBMNFHCFBHIXHP-UHFFFAOYSA-N 1 0 342.439 2.806 20 10 EFCDRO COC(=O)Cc1ccc(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c(O)c1 ZINC001249223631 1315034496 /nfs/dbraw/zinc/03/44/96/1315034496.db2.gz KIJWCMUOWKCODR-KRWDZBQOSA-N 1 0 341.407 2.543 20 10 EFCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCC[C@@]4(CCNC4=O)C3)ccc2O1 ZINC001249230524 1315036125 /nfs/dbraw/zinc/03/61/25/1315036125.db2.gz KBCDNGAMUKOOOC-HXUWFJFHSA-N 1 0 342.439 2.679 20 10 EFCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCC[C@]4(CCNC4=O)C3)ccc2O1 ZINC001249230523 1315036233 /nfs/dbraw/zinc/03/62/33/1315036233.db2.gz KBCDNGAMUKOOOC-FQEVSTJZSA-N 1 0 342.439 2.679 20 10 EFCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCO[C@]4(CCOC4)C3)ccc2O1 ZINC001249230368 1315036452 /nfs/dbraw/zinc/03/64/52/1315036452.db2.gz FBQCKGSLMHTWOX-LJQANCHMSA-N 1 0 331.412 2.568 20 10 EFCDRO Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)o1 ZINC000038635162 1315039342 /nfs/dbraw/zinc/03/93/42/1315039342.db2.gz KMNNRGFPFLERJI-SFHVURJKSA-N 1 0 329.444 2.995 20 10 EFCDRO COc1c(F)cc(-c2noc(C[C@@H]([NH3+])c3ccccc3O)n2)cc1F ZINC001249338760 1315056153 /nfs/dbraw/zinc/05/61/53/1315056153.db2.gz ATMZINVTMLKIBJ-CYBMUJFWSA-N 1 0 347.321 2.972 20 10 EFCDRO O=C(c1ccccc1)c1ccc(O)c(O)c1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217978595 1315128637 /nfs/dbraw/zinc/12/86/37/1315128637.db2.gz QQPVBUNOJFVYOH-GDBMZVCRSA-N 1 0 345.370 2.798 20 10 EFCDRO CCOC(=O)CCCOc1ccc(C[N@H+](C)CCSC)c(O)c1 ZINC001249744245 1315129642 /nfs/dbraw/zinc/12/96/42/1315129642.db2.gz YIWRRUBYTMYPIZ-UHFFFAOYSA-N 1 0 341.473 2.909 20 10 EFCDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1cccc2c1C(=O)c1cccc(O)c1C2=O ZINC001218043421 1315138453 /nfs/dbraw/zinc/13/84/53/1315138453.db2.gz HVBVLUUFJBBIBR-BDJLRTHQSA-N 1 0 337.375 2.544 20 10 EFCDRO C[C@H]1C[C@H](Oc2c(O)ccc3c2C(=O)c2ccccc2C3=O)CC[NH2+]1 ZINC001218058039 1315141134 /nfs/dbraw/zinc/14/11/34/1315141134.db2.gz VQDKPNXBHZJKKZ-NWDGAFQWSA-N 1 0 337.375 2.687 20 10 EFCDRO C[NH+](C)CCNC(=S)Nc1ccccc1C(=O)c1ccccc1 ZINC001249837510 1315144976 /nfs/dbraw/zinc/14/49/76/1315144976.db2.gz BZWLLWPQROBYDK-UHFFFAOYSA-N 1 0 327.453 2.766 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@H]3C[C@H]4[NH2+]CC[C@H]4C3)ccc21 ZINC001218248177 1315170627 /nfs/dbraw/zinc/17/06/27/1315170627.db2.gz DMAQYEOBNZRARQ-BBEJJTJUSA-N 1 0 333.387 2.981 20 10 EFCDRO Cc1cc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c(O)cc1Br ZINC001250120517 1315174446 /nfs/dbraw/zinc/17/44/46/1315174446.db2.gz GYXFYQZFIHXWRW-OLZOCXBDSA-N 1 0 332.213 2.758 20 10 EFCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(C)c(Br)cc2O)C1 ZINC001250128232 1315176510 /nfs/dbraw/zinc/17/65/10/1315176510.db2.gz BFOGUYJNKRAOJC-LLVKDONJSA-N 1 0 342.233 2.848 20 10 EFCDRO CCC[NH+]1CCN(Cc2cc(C)c(Br)cc2O)CC1 ZINC001250128974 1315176706 /nfs/dbraw/zinc/17/67/06/1315176706.db2.gz SGPLXRVXSBVXJB-UHFFFAOYSA-N 1 0 327.266 2.991 20 10 EFCDRO Cc1cc(CN2CCC[C@H]2C[NH+](C)C)c(O)cc1Br ZINC001250128908 1315176872 /nfs/dbraw/zinc/17/68/72/1315176872.db2.gz OXCDKAOPDVCKHS-ZDUSSCGKSA-N 1 0 327.266 2.989 20 10 EFCDRO CC[N@@H+]1CCN(Cc2cc(C)c(Br)cc2O)[C@H](C)C1 ZINC001250135606 1315178048 /nfs/dbraw/zinc/17/80/48/1315178048.db2.gz GGRYQZZZIGDQOU-GFCCVEGCSA-N 1 0 327.266 2.989 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3C[NH2+]CC[C@H]3F)cccc21 ZINC001218320434 1315177976 /nfs/dbraw/zinc/17/79/76/1315177976.db2.gz YUHUUPCAOBBMNQ-ZBFHGGJFSA-N 1 0 325.339 2.541 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@H]3C[NH2+]CC[C@H]3F)ccc21 ZINC001218322102 1315178322 /nfs/dbraw/zinc/17/83/22/1315178322.db2.gz IMDFLMLQCMFWRY-SJORKVTESA-N 1 0 325.339 2.541 20 10 EFCDRO CCC(=O)[C@H]1C[C@@H](Oc2cccc3c2C(=O)c2ccccc2C3=O)C[NH2+]1 ZINC001218323641 1315178766 /nfs/dbraw/zinc/17/87/66/1315178766.db2.gz OBXMTZKPUPEPJH-MLGOLLRUSA-N 1 0 349.386 2.550 20 10 EFCDRO CC(C)(C)C(=O)OC1CC(Oc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218325686 1315179183 /nfs/dbraw/zinc/17/91/83/1315179183.db2.gz LWXFCTAZJIAURB-UHFFFAOYSA-N 1 0 332.444 2.595 20 10 EFCDRO COc1c(C)c(O[C@@H]2C=CC[NH2+]C2)cc2c1C(=O)c1ccccc1C2=O ZINC001218335054 1315180897 /nfs/dbraw/zinc/18/08/97/1315180897.db2.gz UDEXOCNYALMYON-CYBMUJFWSA-N 1 0 349.386 2.686 20 10 EFCDRO COc1ccc(OC[C@@H](C)Oc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001218356816 1315183942 /nfs/dbraw/zinc/18/39/42/1315183942.db2.gz DIYCUYHAWGHDJL-MRXNPFEDSA-N 1 0 342.439 2.951 20 10 EFCDRO C[C@H]1CC[C@H](Oc2c(O)c(O)ccc2C(=O)c2ccccc2)C[NH2+]1 ZINC001218399403 1315190053 /nfs/dbraw/zinc/19/00/53/1315190053.db2.gz PZYBLYJNXHUPNJ-JSGCOSHPSA-N 1 0 327.380 2.848 20 10 EFCDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1cccc2c1C(=O)c1cccc(O)c1C2=O ZINC001218414421 1315192850 /nfs/dbraw/zinc/19/28/50/1315192850.db2.gz KWJPWIVBKFQROQ-ABAIWWIYSA-N 1 0 337.375 2.544 20 10 EFCDRO COc1ccc2c(c1O[C@@H]1[C@@H]3CC[C@H]1[NH2+]C3)C(=O)c1ccccc1C2=O ZINC001218443748 1315196269 /nfs/dbraw/zinc/19/62/69/1315196269.db2.gz CLABXHFEIDLVCC-CVWILIBFSA-N 1 0 349.386 2.600 20 10 EFCDRO COc1cccc([C@@H](O)C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001250718568 1315250283 /nfs/dbraw/zinc/25/02/83/1315250283.db2.gz VJCICWVZTYCVAU-IBGZPJMESA-N 1 0 329.396 2.588 20 10 EFCDRO COc1cc(-c2nc3cc4c(cc3[nH]2)OCO4)cc(C[NH+](C)C)c1O ZINC001250766875 1315261648 /nfs/dbraw/zinc/26/16/48/1315261648.db2.gz OWVDNPJCHMXTTF-UHFFFAOYSA-N 1 0 341.367 2.734 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)C[C@H](O)COc2cccc(F)c2)cc1 ZINC001250806249 1315268959 /nfs/dbraw/zinc/26/89/59/1315268959.db2.gz NPOKPDORLKLMQF-SFHVURJKSA-N 1 0 332.419 2.763 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)cc1F ZINC001318411094 1328580293 /nfs/dbraw/zinc/58/02/93/1328580293.db2.gz RHZTYERUZWQXBK-DOTOQJQBSA-N 1 0 336.455 2.564 20 10 EFCDRO CC[N@@H+](Cc1ccccc1O)C[C@@H](O)COc1ccc(F)cc1F ZINC001250861550 1315282425 /nfs/dbraw/zinc/28/24/25/1315282425.db2.gz UPKCGQVVNLPFGN-OAHLLOKOSA-N 1 0 337.366 2.932 20 10 EFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@@H](N)CC[NH3+])cc2)cc1 ZINC001219203338 1315289988 /nfs/dbraw/zinc/28/99/88/1315289988.db2.gz FLORPGPPYBUUSJ-RTLBZRNLSA-N 1 0 338.455 2.538 20 10 EFCDRO CCc1ccc(C[NH+]2CCC3(CN(Cc4cn[nH]c4)C3)CC2)c(O)c1 ZINC001276804573 1315307701 /nfs/dbraw/zinc/30/77/01/1315307701.db2.gz HEVZIVQBFVJJAF-UHFFFAOYSA-N 1 0 340.471 2.776 20 10 EFCDRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)c(Cl)cc1O ZINC001276805401 1315318365 /nfs/dbraw/zinc/31/83/65/1315318365.db2.gz WBWLTAWINAFVST-BETUJISGSA-N 1 0 344.286 2.519 20 10 EFCDRO COc1cc(C)c(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C2CCCC2)c(O)c1 ZINC001276806165 1315326853 /nfs/dbraw/zinc/32/68/53/1315326853.db2.gz IULHTRIDKJLKAO-QUCCMNQESA-N 1 0 346.471 2.537 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)cc1F ZINC001318411100 1328580085 /nfs/dbraw/zinc/58/00/85/1328580085.db2.gz RHZTYERUZWQXBK-WBVHZDCISA-N 1 0 336.455 2.564 20 10 EFCDRO CC(C)(C)Oc1ccc(C[C@H]([NH3+])C(=O)NCc2ccccc2O)cc1 ZINC001219923115 1315356249 /nfs/dbraw/zinc/35/62/49/1315356249.db2.gz CANNIJOOHZMHES-KRWDZBQOSA-N 1 0 342.439 2.756 20 10 EFCDRO CC[C@@H](O)C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001251784342 1315377735 /nfs/dbraw/zinc/37/77/35/1315377735.db2.gz JEFYUWPRPZDYPE-LJQANCHMSA-N 1 0 341.455 2.554 20 10 EFCDRO [NH3+]Cc1cccc(C(=O)NCc2cc(Cl)c3cccnc3c2O)c1 ZINC001220212432 1315385447 /nfs/dbraw/zinc/38/54/47/1315385447.db2.gz JTEWMUKSRDFWNM-UHFFFAOYSA-N 1 0 341.798 2.983 20 10 EFCDRO CN1CCO[C@@]2(CCC[N@H+](Cc3cc4ccccc4cc3O)C2)C1 ZINC001276813757 1315417027 /nfs/dbraw/zinc/41/70/27/1315417027.db2.gz SQBNRBZSKRWDQR-FQEVSTJZSA-N 1 0 326.440 2.842 20 10 EFCDRO COCCOCN1C[C@@H]2CC[N@H+](Cc3ccc(C(C)C)cc3O)[C@@H]2C1 ZINC001276814074 1315423775 /nfs/dbraw/zinc/42/37/75/1315423775.db2.gz CURFOKJSPUCAMV-PKOBYXMFSA-N 1 0 348.487 2.642 20 10 EFCDRO COCCOCN1CCC2(C[NH+](Cc3ccc(C(C)C)cc3O)C2)C1 ZINC001276815329 1315441569 /nfs/dbraw/zinc/44/15/69/1315441569.db2.gz RYDBDTVKBLVBHS-UHFFFAOYSA-N 1 0 348.487 2.644 20 10 EFCDRO Cc1cc(C)c(CNC(=O)C[C@@H]([NH3+])Cc2ccc(F)c(F)c2)c(O)c1 ZINC001220825304 1315454141 /nfs/dbraw/zinc/45/41/41/1315454141.db2.gz BNMMGJDBHDYXEP-AWEZNQCLSA-N 1 0 348.393 2.864 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N[C@@H](C[NH3+])C(C)(C)C)c1 ZINC001220862112 1315458576 /nfs/dbraw/zinc/45/85/76/1315458576.db2.gz PUCSRJXTQNXQET-KRWDZBQOSA-N 1 0 329.444 2.903 20 10 EFCDRO CC[N@H+](Cc1ccccc1O)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001252930862 1315534606 /nfs/dbraw/zinc/53/46/06/1315534606.db2.gz DYXFTXJANVRHKB-NRFANRHFSA-N 1 0 340.467 2.851 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccc[nH]3)C[C@H]2C)cc1C ZINC001054379318 1315547070 /nfs/dbraw/zinc/54/70/70/1315547070.db2.gz HSJIHQXMDOYXER-RHSMWYFYSA-N 1 0 327.428 2.582 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]2C)cc1C ZINC001054379319 1315547110 /nfs/dbraw/zinc/54/71/10/1315547110.db2.gz HSJIHQXMDOYXER-WMLDXEAASA-N 1 0 327.428 2.582 20 10 EFCDRO CCCC[C@@H](CC)COC[C@@H](O)C[NH2+]Cc1ccc(O)c(O)c1 ZINC001253027416 1315557228 /nfs/dbraw/zinc/55/72/28/1315557228.db2.gz WZJGASHXSQDSIS-ZBFHGGJFSA-N 1 0 325.449 2.781 20 10 EFCDRO CCOC(=O)C[C@H](O)C[NH2+][C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001253813717 1315641242 /nfs/dbraw/zinc/64/12/42/1315641242.db2.gz DGDUJQBUDYEJOH-UGSOOPFHSA-N 1 0 335.444 2.536 20 10 EFCDRO COc1cccc(OC[C@H](O)C[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001253978492 1315660128 /nfs/dbraw/zinc/66/01/28/1315660128.db2.gz UMTNBNNGWRNKMX-MRXNPFEDSA-N 1 0 331.412 2.542 20 10 EFCDRO COc1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001253978491 1315660258 /nfs/dbraw/zinc/66/02/58/1315660258.db2.gz UMTNBNNGWRNKMX-INIZCTEOSA-N 1 0 331.412 2.542 20 10 EFCDRO CN1CCN(c2ccc(C[N@H+](C)CCC3CCOCC3)cc2F)CC1 ZINC001254019597 1315665780 /nfs/dbraw/zinc/66/57/80/1315665780.db2.gz VGUSVBFADIDMBM-UHFFFAOYSA-N 1 0 349.494 2.826 20 10 EFCDRO CC(C)OCC[NH+]1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001254019163 1315665929 /nfs/dbraw/zinc/66/59/29/1315665929.db2.gz RISNSKJXFGOGBH-UHFFFAOYSA-N 1 0 331.504 2.829 20 10 EFCDRO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001254184254 1315678662 /nfs/dbraw/zinc/67/86/62/1315678662.db2.gz MKRAWDGBOHTTTM-HNNXBMFYSA-N 1 0 337.483 2.871 20 10 EFCDRO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C(=O)C2)c1O ZINC001254238539 1315686222 /nfs/dbraw/zinc/68/62/22/1315686222.db2.gz YLBRYKGEJGPNJT-CQSZACIVSA-N 1 0 334.416 2.716 20 10 EFCDRO FC(F)(F)Oc1ccc(N2CC[NH+]([C@@H]3CCCOC3)CC2)cc1 ZINC001254388217 1315700517 /nfs/dbraw/zinc/70/05/17/1315700517.db2.gz RKEYDTLHHITGEU-CQSZACIVSA-N 1 0 330.350 2.886 20 10 EFCDRO CCOC(=O)CN1CCC([N@H+](CC)Cc2ccc(N(C)C)cc2)CC1 ZINC001254412599 1315702579 /nfs/dbraw/zinc/70/25/79/1315702579.db2.gz QEFMFWUBVBECQP-UHFFFAOYSA-N 1 0 347.503 2.602 20 10 EFCDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc(O)c(O)c3)CC2)cc1 ZINC001254468527 1315706771 /nfs/dbraw/zinc/70/67/71/1315706771.db2.gz KVFKUNFZIZMMLI-UHFFFAOYSA-N 1 0 343.383 2.765 20 10 EFCDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCCc3cc(O)c(O)cc3C1)C2 ZINC001254605513 1315730152 /nfs/dbraw/zinc/73/01/52/1315730152.db2.gz AXKGNPZQRWRULK-KRWDZBQOSA-N 1 0 340.379 2.922 20 10 EFCDRO Oc1ccccc1C[NH2+]C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC001254991848 1315769180 /nfs/dbraw/zinc/76/91/80/1315769180.db2.gz DYEOVABPUQBLPA-IHWFROFDSA-N 1 0 338.451 2.914 20 10 EFCDRO CN1[C@@H]2CCC[C@H]1CC([N@H+](C)Cc1ccc(N3CCOCC3)cc1)C2 ZINC001255680112 1315856947 /nfs/dbraw/zinc/85/69/47/1315856947.db2.gz HFDWUYJVCSSGIX-WCRBZPEASA-N 1 0 343.515 2.970 20 10 EFCDRO Cc1cc(C)c(C[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)c(O)c1 ZINC001255805345 1315869037 /nfs/dbraw/zinc/86/90/37/1315869037.db2.gz WOTGHNNZLWBHGV-HNNXBMFYSA-N 1 0 333.453 2.961 20 10 EFCDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001255898338 1315878014 /nfs/dbraw/zinc/87/80/14/1315878014.db2.gz PVECHSJUMPQBPO-CQSZACIVSA-N 1 0 336.432 2.629 20 10 EFCDRO CCOC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001256039721 1315894709 /nfs/dbraw/zinc/89/47/09/1315894709.db2.gz MCPFHEZLGWBNES-GOSISDBHSA-N 1 0 331.460 2.949 20 10 EFCDRO COc1ccc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)c1 ZINC001256631139 1315973573 /nfs/dbraw/zinc/97/35/73/1315973573.db2.gz PPRRQXPZWOUPGJ-JWTNVVGKSA-N 1 0 329.488 2.751 20 10 EFCDRO COc1ccc(N2CC[NH+](C[C@H](O)[C@@H](C)c3ccccc3)CC2)cc1 ZINC000827311385 1315977653 /nfs/dbraw/zinc/97/76/53/1315977653.db2.gz ZDSFHKNVJKRWND-UWJYYQICSA-N 1 0 340.467 2.982 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c1O ZINC000827555129 1316000418 /nfs/dbraw/zinc/00/04/18/1316000418.db2.gz OJCULLOMHBSZOD-NSHDSACASA-N 1 0 340.851 2.791 20 10 EFCDRO CC[NH+](CC)C[C@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000827777050 1316014780 /nfs/dbraw/zinc/01/47/80/1316014780.db2.gz LNDADHOACRHUBO-ZDUSSCGKSA-N 1 0 346.500 2.776 20 10 EFCDRO CCOC(=O)[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001257062224 1316027950 /nfs/dbraw/zinc/02/79/50/1316027950.db2.gz KWKTVEGIMKMVGJ-IEBWSBKVSA-N 1 0 346.471 2.687 20 10 EFCDRO COCCOc1ccc(N2CC[NH+](C3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC001257102451 1316034487 /nfs/dbraw/zinc/03/44/87/1316034487.db2.gz MGNWFXQMGYQCLY-IAGOWNOFSA-N 1 0 348.487 2.790 20 10 EFCDRO COC(=O)CC[C@H](C)N1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001258369630 1316144751 /nfs/dbraw/zinc/14/47/51/1316144751.db2.gz HMNCYPBNKHMJGL-ZDUSSCGKSA-N 1 0 330.428 2.887 20 10 EFCDRO CCOC(=O)CC[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001258495868 1316156330 /nfs/dbraw/zinc/15/63/30/1316156330.db2.gz MJPBSLLOOHTZJH-INIZCTEOSA-N 1 0 334.460 2.687 20 10 EFCDRO O=C1CC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)CCN1Cc1ccccc1 ZINC001258574192 1316164305 /nfs/dbraw/zinc/16/43/05/1316164305.db2.gz OOOUMDYUHGBBPJ-QGZVFWFLSA-N 1 0 340.423 2.769 20 10 EFCDRO COc1cc(C[C@H](C)[NH2+]Cc2ccc(O)c(O)c2)cc(OC)c1OC ZINC001258858381 1316185422 /nfs/dbraw/zinc/18/54/22/1316185422.db2.gz NBDDTHKTYJWCAV-LBPRGKRZSA-N 1 0 347.411 2.844 20 10 EFCDRO CC(C)OC(=O)[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC001261256884 1316399115 /nfs/dbraw/zinc/39/91/15/1316399115.db2.gz XRELKVBGYSUDHE-IBGZPJMESA-N 1 0 347.503 2.504 20 10 EFCDRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC001261814132 1316432088 /nfs/dbraw/zinc/43/20/88/1316432088.db2.gz QTIZEMDOIHALHC-IINYFYTJSA-N 1 0 325.250 2.727 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[C@@H]3CCOC3)[C@H]2C)cc1C ZINC001074576796 1316525888 /nfs/dbraw/zinc/52/58/88/1316525888.db2.gz CTEUAOKIRQOXTK-SZMVWBNQSA-N 1 0 346.471 2.509 20 10 EFCDRO CCN(C(=O)c1csc(Cc2ccc(N)cc2)n1)C1CC[NH2+]CC1 ZINC001263323162 1316530600 /nfs/dbraw/zinc/53/06/00/1316530600.db2.gz IHBWZDXMPILTFD-UHFFFAOYSA-N 1 0 344.484 2.530 20 10 EFCDRO CC(C)[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001041850263 1316735165 /nfs/dbraw/zinc/73/51/65/1316735165.db2.gz GVPQBHMQNNSIDB-SFHVURJKSA-N 1 0 343.431 2.795 20 10 EFCDRO Oc1c(C[NH+]2CC3(CCN3CCn3ccnc3)C2)ccc2ccccc21 ZINC001279438296 1317263613 /nfs/dbraw/zinc/26/36/13/1317263613.db2.gz YBAIIEBIJWAUEF-UHFFFAOYSA-N 1 0 348.450 2.702 20 10 EFCDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCCCSc1nccs1 ZINC001319178208 1328797698 /nfs/dbraw/zinc/79/76/98/1328797698.db2.gz SCOGOWPDJVQRLQ-CHWSQXEVSA-N 1 0 342.534 2.797 20 10 EFCDRO CN1CCN(c2ccc(C[N@H+](C)Cc3cccc(O)c3)cc2F)CC1 ZINC001319512698 1328906751 /nfs/dbraw/zinc/90/67/51/1328906751.db2.gz FWAAIUKFPBMBSI-UHFFFAOYSA-N 1 0 343.446 2.915 20 10 EFCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000732669946 1321723329 /nfs/dbraw/zinc/72/33/29/1321723329.db2.gz TXGAXXUPMIMWTQ-GOSISDBHSA-N 1 0 333.432 2.836 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000828667174 1321976564 /nfs/dbraw/zinc/97/65/64/1321976564.db2.gz NPEUOLGCSLZTKJ-HIFRSBDPSA-N 1 0 328.412 2.538 20 10 EFCDRO COC(=O)CC(C)(C)[N@H+](C)Cc1cc(Br)ccc1O ZINC001319948565 1329041630 /nfs/dbraw/zinc/04/16/30/1329041630.db2.gz PBOLUQFPXFCZMJ-UHFFFAOYSA-N 1 0 330.222 2.928 20 10 EFCDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2c(O)cccc2Cl)cn1 ZINC001319971989 1329047052 /nfs/dbraw/zinc/04/70/52/1329047052.db2.gz CPPVXKCPKUDDTP-CXAGYDPISA-N 1 0 335.835 2.867 20 10 EFCDRO Cc1cccnc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001320104583 1329079851 /nfs/dbraw/zinc/07/98/51/1329079851.db2.gz YUFAWOWHGWWMKV-UHFFFAOYSA-N 1 0 329.419 2.780 20 10 EFCDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001320498156 1329145781 /nfs/dbraw/zinc/14/57/81/1329145781.db2.gz SRXGXPWQZQQCFP-SFHVURJKSA-N 1 0 349.494 2.826 20 10 EFCDRO COC(=O)CC[N@H+](Cc1ccc(N2CCCC2)cc1)C1CCOCC1 ZINC001320509094 1329149173 /nfs/dbraw/zinc/14/91/73/1329149173.db2.gz LGTUHKLZXPLGHE-UHFFFAOYSA-N 1 0 346.471 2.831 20 10 EFCDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc(N3CCCC3)cc2)C1(C)C ZINC001320517534 1329150981 /nfs/dbraw/zinc/15/09/81/1329150981.db2.gz CUUGRAQGDNNQBB-QUCCMNQESA-N 1 0 332.488 2.943 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[NH2+]CC3(C(=O)[O-])CCCCC3)cc2)CC1 ZINC000901783292 1324756701 /nfs/dbraw/zinc/75/67/01/1324756701.db2.gz JDZGBNCMNZMBTK-UHFFFAOYSA-N 1 0 345.487 2.563 20 10 EFCDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H](CO)CC1CCOCC1 ZINC001320900802 1329316499 /nfs/dbraw/zinc/31/64/99/1329316499.db2.gz RDWMKIWFOCTFOQ-LBPRGKRZSA-N 1 0 331.815 2.700 20 10 EFCDRO Fc1cc(C[NH2+]Cc2cnn3ccccc23)ccc1N1CCOCC1 ZINC001323696560 1329562559 /nfs/dbraw/zinc/56/25/59/1329562559.db2.gz TZEHPBRGNVPJGZ-UHFFFAOYSA-N 1 0 340.402 2.600 20 10 EFCDRO CC[N@H+](Cc1ccncc1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323780436 1329570168 /nfs/dbraw/zinc/57/01/68/1329570168.db2.gz JFFLLUIHHDSWLC-UHFFFAOYSA-N 1 0 342.462 2.995 20 10 EFCDRO CN1CCN(c2ccc(C[N@H+](C)Cc3ccccn3)cc2F)CC1 ZINC001323846560 1329578067 /nfs/dbraw/zinc/57/80/67/1329578067.db2.gz YHPMWWOVAGMAGU-UHFFFAOYSA-N 1 0 328.435 2.605 20 10 EFCDRO COc1cc(Cl)cc(C[N@H+](C)Cc2ccc(C(N)=O)cc2)c1O ZINC001324014334 1329591202 /nfs/dbraw/zinc/59/12/02/1329591202.db2.gz JGXKKMYHLQMSFE-UHFFFAOYSA-N 1 0 334.803 2.785 20 10 EFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC001324133197 1329602385 /nfs/dbraw/zinc/60/23/85/1329602385.db2.gz KWTUAKRBTLANCO-MSOLQXFVSA-N 1 0 329.488 2.881 20 10 EFCDRO CN1CCN(c2ccc(CNc3[nH+]ccn3C3CC3)cc2F)CC1 ZINC001325290491 1329678583 /nfs/dbraw/zinc/67/85/83/1329678583.db2.gz VQXCNTQNOOILHE-UHFFFAOYSA-N 1 0 329.423 2.721 20 10 EFCDRO C[NH2+][C@@H](C)CCN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC001325745375 1329709928 /nfs/dbraw/zinc/70/99/28/1329709928.db2.gz XSIHXGLYAJGBRP-KBPBESRZSA-N 1 0 325.884 2.825 20 10 EFCDRO C[NH2+]Cc1ccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)cc1 ZINC001326076641 1329732477 /nfs/dbraw/zinc/73/24/77/1329732477.db2.gz QXYKCEYWACJYDV-UHFFFAOYSA-N 1 0 342.462 2.909 20 10 EFCDRO C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001326115068 1329733618 /nfs/dbraw/zinc/73/36/18/1329733618.db2.gz BMTOOZQIUPLYKZ-MRXNPFEDSA-N 1 0 332.492 2.578 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+]C[C@]3(O)CCCC3(C)C)cc2F)CC1 ZINC001326260469 1329742505 /nfs/dbraw/zinc/74/25/05/1329742505.db2.gz YCQXSUJUQZYFDO-HXUWFJFHSA-N 1 0 349.494 2.608 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+]C(C)(C)C3CCOCC3)cc2F)CC1 ZINC001326620842 1330329397 /nfs/dbraw/zinc/32/93/97/1330329397.db2.gz WMCKPCNCUCWNSV-UHFFFAOYSA-N 1 0 349.494 2.872 20 10 EFCDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326789434 1330364298 /nfs/dbraw/zinc/36/42/98/1330364298.db2.gz XQECPMVYNYQGCE-IEBWSBKVSA-N 1 0 335.467 2.625 20 10 EFCDRO CCc1cccc(C[N@@H+]2CCCN(Cc3cc(C)on3)CC2)c1O ZINC001327195092 1330439514 /nfs/dbraw/zinc/43/95/14/1330439514.db2.gz MLZYMQBLZOWHOA-UHFFFAOYSA-N 1 0 329.444 2.959 20 10 EFCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H](CCO)CC3)cc2F)CC1 ZINC001327589853 1330498820 /nfs/dbraw/zinc/49/88/20/1330498820.db2.gz IJQDSGQYFSONHS-KRWDZBQOSA-N 1 0 349.494 2.562 20 10 EFCDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001328219125 1330569408 /nfs/dbraw/zinc/56/94/08/1330569408.db2.gz FBRFEWZHBDYGBR-SFHVURJKSA-N 1 0 349.494 2.969 20 10 EFCDRO c1cc(N2CCCC2)ccc1CNCc1nc([C@H]2CCCO2)n[nH]1 ZINC001329115722 1330669169 /nfs/dbraw/zinc/66/91/69/1330669169.db2.gz XGVPEOYNXBBNJQ-MRXNPFEDSA-N 1 0 327.432 2.546 20 10 EFCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C(C)(C)O)C3)cc2F)CC1 ZINC001331084170 1330793295 /nfs/dbraw/zinc/79/32/95/1330793295.db2.gz VLOZLWMNSWLJKK-QGZVFWFLSA-N 1 0 349.494 2.560 20 10 EFCDRO C[NH2+][C@H](C)CCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001331457386 1330839254 /nfs/dbraw/zinc/83/92/54/1330839254.db2.gz VTVKPLBCOIZBIG-MRXNPFEDSA-N 1 0 332.492 2.720 20 10 EFCDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C12CCC2 ZINC001331469298 1330840968 /nfs/dbraw/zinc/84/09/68/1330840968.db2.gz GUDIAUQXUUACRU-RBUKOAKNSA-N 1 0 347.478 2.625 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NCCC(C)(C)[NH3+])c2C)cc1 ZINC001332050912 1330909913 /nfs/dbraw/zinc/90/99/13/1330909913.db2.gz UHNQXXRCJXYRAV-UHFFFAOYSA-N 1 0 329.444 2.960 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)c2ccc3c(c2)C[NH2+]CC3)c1 ZINC001332125201 1330924877 /nfs/dbraw/zinc/92/48/77/1330924877.db2.gz PCSXDVURSINKNS-LBPRGKRZSA-N 1 0 326.396 2.538 20 10 EFCDRO CCOC(=O)c1cc2n(n1)C[C@@H](C)N(Cc1cc(C)cc(C)c1O)C2 ZINC001332188756 1330937660 /nfs/dbraw/zinc/93/76/60/1330937660.db2.gz VIIAKMHZPGDTLT-CQSZACIVSA-N 1 0 343.427 2.787 20 10 EFCDRO Cc1cc(N)nc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)[nH+]1 ZINC001333676692 1331192388 /nfs/dbraw/zinc/19/23/88/1331192388.db2.gz ABBJVMCJTRWUJE-BETUJISGSA-N 1 0 345.422 2.732 20 10 EFCDRO Cc1cc(F)ncc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001333707355 1331197922 /nfs/dbraw/zinc/19/79/22/1331197922.db2.gz PHCFZVFLXMGEDY-UHFFFAOYSA-N 1 0 347.409 2.919 20 10 EFCDRO COc1ccc(C[N@H+](Cc2ccccc2)[C@H](C)CO)c(O)c1OC ZINC001334140739 1331254784 /nfs/dbraw/zinc/25/47/84/1331254784.db2.gz NOKIPMPQRJHYBA-CQSZACIVSA-N 1 0 331.412 2.792 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C(=O)Nc2ccccc2)c(O)c1OC ZINC001334174821 1331260747 /nfs/dbraw/zinc/26/07/47/1331260747.db2.gz XLTKEGZRHYBXPZ-GFCCVEGCSA-N 1 0 330.384 2.526 20 10 EFCDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001334877310 1331322132 /nfs/dbraw/zinc/32/21/32/1331322132.db2.gz HOJKKWUQQMCBOY-SFHVURJKSA-N 1 0 347.528 2.729 20 10 EFCDRO C[C@H]1CCCN(C(=O)NCCCSc2nccs2)[C@H]1CC[NH3+] ZINC001335538789 1331370177 /nfs/dbraw/zinc/37/01/77/1331370177.db2.gz CBFIEMQUAXCMQU-STQMWFEESA-N 1 0 342.534 2.784 20 10 EFCDRO CN(C)c1ccc(CN(C(=O)NC2CC3(CC([NH3+])C3)C2)C2CC2)cc1 ZINC001335725301 1331395009 /nfs/dbraw/zinc/39/50/09/1331395009.db2.gz MHSXVCHFWADCOS-UHFFFAOYSA-N 1 0 342.487 2.697 20 10 EFCDRO C[C@@H](CCNC(=O)NCc1ccc(N)cc1)[N@H+](C)Cc1ccccc1 ZINC001336052493 1331430514 /nfs/dbraw/zinc/43/05/14/1331430514.db2.gz ZGVAPQBYNKYAOV-INIZCTEOSA-N 1 0 340.471 2.979 20 10 EFCDRO Cc1csc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001336086218 1331433980 /nfs/dbraw/zinc/43/39/80/1331433980.db2.gz YRGRPMSGLXWUNM-OAHLLOKOSA-N 1 0 332.473 2.550 20 10 EFCDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCc2ccc(N)cc2)C1 ZINC001336752873 1331499634 /nfs/dbraw/zinc/49/96/34/1331499634.db2.gz BFFPTPPZMBYYOB-GJZGRUSLSA-N 1 0 332.492 2.825 20 10 EFCDRO Cc1ccc([C@@H](CNC(=O)NCc2ccc(N)cc2)[NH+](C)C)cc1 ZINC001336785113 1331502737 /nfs/dbraw/zinc/50/27/37/1331502737.db2.gz VYMNNUBDOVXYGQ-GOSISDBHSA-N 1 0 326.444 2.679 20 10 EFCDRO CC(C)[N@H+](C)CC1CCN(c2nnc(C3SC=CC3=O)n2C)CC1 ZINC001338087224 1331648957 /nfs/dbraw/zinc/64/89/57/1331648957.db2.gz LJVSIIKAPHLACZ-UHFFFAOYSA-N 1 0 349.504 2.806 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2nccs2)[NH+](C)C)cc1 ZINC001339018617 1331770887 /nfs/dbraw/zinc/77/08/87/1331770887.db2.gz OGBVCSVCFYUJGB-ZNFPLGDCSA-N 1 0 344.484 2.641 20 10 EFCDRO CSCCC[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001339826739 1332105152 /nfs/dbraw/zinc/10/51/52/1332105152.db2.gz QYSXPUOQXPRAFS-UHFFFAOYSA-N 1 0 325.497 2.762 20 10 EFCDRO CC(C)(C)[NH+]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC001341552725 1332267432 /nfs/dbraw/zinc/26/74/32/1332267432.db2.gz HJSMMYYYDMHNJN-UHFFFAOYSA-N 1 0 335.467 2.578 20 10 EFCDRO CC[C@H](C)C[C@H]([NH3+])C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001341571222 1332268765 /nfs/dbraw/zinc/26/87/65/1332268765.db2.gz MPXGRLNOLMFICU-YOEHRIQHSA-N 1 0 335.517 2.620 20 10 EFCDRO C/C(=C/c1cccnc1)C(=O)N1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC001341748412 1332281480 /nfs/dbraw/zinc/28/14/80/1332281480.db2.gz HFZPXFBNJWTYKQ-QLBUUCPGSA-N 1 0 325.387 2.788 20 10 EFCDRO C/C(=C\c1cccnc1)C(=O)N1C[C@@H](C[NH3+])Cc2cc(F)ccc21 ZINC001341748411 1332281490 /nfs/dbraw/zinc/28/14/90/1332281490.db2.gz HFZPXFBNJWTYKQ-MYWXAZLQSA-N 1 0 325.387 2.788 20 10 EFCDRO C/C(=C\c1cccnc1)C(=O)N1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC001341748409 1332281524 /nfs/dbraw/zinc/28/15/24/1332281524.db2.gz HFZPXFBNJWTYKQ-COSNYCCFSA-N 1 0 325.387 2.788 20 10 EFCDRO CCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)[C@@H]1CCC[NH2+]C1 ZINC001342173265 1332313161 /nfs/dbraw/zinc/31/31/61/1332313161.db2.gz LAYBNOZZDVFPPJ-MRXNPFEDSA-N 1 0 326.444 2.703 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(c3ccccc3)C[C@H]([NH3+])C2)c1 ZINC001343543958 1332355396 /nfs/dbraw/zinc/35/53/96/1332355396.db2.gz SWTRWEVNUFTUIZ-KPHUOKFYSA-N 1 0 340.423 2.637 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(c3ccccc3)C[C@H]([NH3+])C2)c1 ZINC001343543959 1332355460 /nfs/dbraw/zinc/35/54/60/1332355460.db2.gz SWTRWEVNUFTUIZ-WAWZGNHOSA-N 1 0 340.423 2.637 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001343784717 1332380274 /nfs/dbraw/zinc/38/02/74/1332380274.db2.gz WDMYFRYYPYNJRZ-UHFFFAOYSA-N 1 0 347.422 2.798 20 10 EFCDRO OC[C@]1([C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C2CC2)CCCO1 ZINC001343972235 1332394678 /nfs/dbraw/zinc/39/46/78/1332394678.db2.gz BXMSVXOAKZFWBL-UXHICEINSA-N 1 0 330.472 2.697 20 10 EFCDRO CC[NH+](CC)CC[C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001345478315 1332542222 /nfs/dbraw/zinc/54/22/22/1332542222.db2.gz HUKFGKRHFWCXMF-KRWDZBQOSA-N 1 0 344.503 2.982 20 10 EFCDRO C[C@H](OC1CCCCC1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001345813494 1332575466 /nfs/dbraw/zinc/57/54/66/1332575466.db2.gz USCOTJNRSDECTQ-KSSFIOAISA-N 1 0 333.476 2.606 20 10 EFCDRO COc1ccc(N2CCCN(C(=O)[C@@H]([NH3+])C3CCCCC3)CC2)cc1 ZINC001346103302 1332599596 /nfs/dbraw/zinc/59/95/96/1332599596.db2.gz IOFLKXRPFRTOMZ-IBGZPJMESA-N 1 0 345.487 2.642 20 10 EFCDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)NCc2ccc(N)cc2)cc1 ZINC001346219787 1332613887 /nfs/dbraw/zinc/61/38/87/1332613887.db2.gz KNZSYSQKLYGKFM-GHXNOFRVSA-N 1 0 339.439 2.539 20 10 EFCDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)cn1 ZINC001347792669 1332773887 /nfs/dbraw/zinc/77/38/87/1332773887.db2.gz BZCKRZCLMLREPX-HNNXBMFYSA-N 1 0 345.466 2.645 20 10 EFCDRO COC1(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCCC1 ZINC001347814034 1332775570 /nfs/dbraw/zinc/77/55/70/1332775570.db2.gz VZQMNQDOKQPJIZ-UHFFFAOYSA-N 1 0 335.467 2.626 20 10 EFCDRO O=C(CC[C@H]1CCC[NH2+]C1)NCc1ccc(N2CCSCC2)cc1 ZINC001347932217 1332786122 /nfs/dbraw/zinc/78/61/22/1332786122.db2.gz URWNVVQSJDPHGR-MRXNPFEDSA-N 1 0 347.528 2.636 20 10 EFCDRO CCC(C)(C)[NH+]1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000847279199 1333473261 /nfs/dbraw/zinc/47/32/61/1333473261.db2.gz ZNFXAWDOZJRYEG-UHFFFAOYSA-N 1 0 332.492 2.768 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1F ZINC000847301709 1333508072 /nfs/dbraw/zinc/50/80/72/1333508072.db2.gz BUZRIZOEHTWCOW-SJLPKXTDSA-N 1 0 348.466 2.708 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)c1 ZINC000847590875 1333962387 /nfs/dbraw/zinc/96/23/87/1333962387.db2.gz JGWFDXXELMJQRS-AWEZNQCLSA-N 1 0 342.439 2.996 20 10 EFCDRO CC[C@@H](C)CNC(=S)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001200278240 1334037864 /nfs/dbraw/zinc/03/78/64/1334037864.db2.gz RYLBMEGEVZSALG-CQSZACIVSA-N 1 0 335.517 2.867 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(C(F)F)nc2)cc1 ZINC000848394707 1334705404 /nfs/dbraw/zinc/70/54/04/1334705404.db2.gz STMTWPUVJNIKLW-AWEZNQCLSA-N 1 0 334.370 2.515 20 10 EFCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000848407519 1334710836 /nfs/dbraw/zinc/71/08/36/1334710836.db2.gz QORMQILSERFXRJ-UYAOXDASSA-N 1 0 329.488 2.881 20 10 EFCDRO CC(=O)OC[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001355263716 1334726930 /nfs/dbraw/zinc/72/69/30/1334726930.db2.gz OMFSSBRJGHNHTG-GXTWGEPZSA-N 1 0 342.386 2.798 20 10 EFCDRO c1cc(N2CCCC2)ccc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000848517521 1334770187 /nfs/dbraw/zinc/77/01/87/1334770187.db2.gz FBIGFSFKTMMAEA-HXUWFJFHSA-N 1 0 329.488 2.630 20 10 EFCDRO Cc1ncncc1[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000848523561 1334772827 /nfs/dbraw/zinc/77/28/27/1334772827.db2.gz JHYVCXMDBDUFAI-ZDUSSCGKSA-N 1 0 344.434 2.736 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCn4ccnc43)CC2)cc1 ZINC000848525717 1334774675 /nfs/dbraw/zinc/77/46/75/1334774675.db2.gz RABYLILKBRNUCZ-SFHVURJKSA-N 1 0 326.444 2.985 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCCn2ccnc21)c1ccc(N2CCOCC2)cc1 ZINC000848526782 1334775162 /nfs/dbraw/zinc/77/51/62/1334775162.db2.gz HOUZBQDTFOUUOG-CRAIPNDOSA-N 1 0 326.444 2.905 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cncnc3C)C2)cc1 ZINC000848553487 1334790977 /nfs/dbraw/zinc/79/09/77/1334790977.db2.gz OCFAUXLBLHEMFE-GOEBONIOSA-N 1 0 326.444 2.971 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCn4ccnc43)C2)cc1 ZINC000848553101 1334791350 /nfs/dbraw/zinc/79/13/50/1334791350.db2.gz IHNVQSJWYHKMNQ-QAPCUYQASA-N 1 0 326.444 2.843 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCc3ccccc3NC2=O)c1 ZINC000848561449 1334795188 /nfs/dbraw/zinc/79/51/88/1334795188.db2.gz WXVXIKMGEMMWLR-QGZVFWFLSA-N 1 0 326.396 2.834 20 10 EFCDRO CCOCCCNC(=O)C1CC[NH+](Cc2cccc(CC)c2O)CC1 ZINC000848880516 1334956600 /nfs/dbraw/zinc/95/66/00/1334956600.db2.gz FZXLFKQBVKYSLC-UHFFFAOYSA-N 1 0 348.487 2.709 20 10 EFCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1O ZINC000848885312 1334960875 /nfs/dbraw/zinc/96/08/75/1334960875.db2.gz IQEKUWDQXRKFRM-MRXNPFEDSA-N 1 0 326.444 2.872 20 10 EFCDRO CCc1cccc(C[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1O ZINC000848888258 1334963222 /nfs/dbraw/zinc/96/32/22/1334963222.db2.gz PZOXEKAJZVWKOZ-HZPDHXFCSA-N 1 0 325.474 2.742 20 10 EFCDRO CCc1cccc(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c1O ZINC000848890196 1334964870 /nfs/dbraw/zinc/96/48/70/1334964870.db2.gz PXIOBNNKHVABLI-FUHWJXTLSA-N 1 0 329.444 2.634 20 10 EFCDRO CCc1cccc(C[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)c1O ZINC000848893412 1334966851 /nfs/dbraw/zinc/96/68/51/1334966851.db2.gz WNZHOYWETYLVFC-HNNXBMFYSA-N 1 0 341.455 2.865 20 10 EFCDRO CCc1cccc(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)c1O ZINC000848892890 1334967256 /nfs/dbraw/zinc/96/72/56/1334967256.db2.gz JOEDDEZZZPVDNI-UHFFFAOYSA-N 1 0 328.412 2.942 20 10 EFCDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cccc(CC)c2O)C1 ZINC000848908797 1334976645 /nfs/dbraw/zinc/97/66/45/1334976645.db2.gz DLUWJWURKUZGBS-LJQANCHMSA-N 1 0 335.444 2.746 20 10 EFCDRO CCc1cccc(C[N@@H+]2CC[C@](C(=O)OC)(C(F)(F)F)C2)c1O ZINC000848911324 1334980354 /nfs/dbraw/zinc/98/03/54/1334980354.db2.gz TUVNFJIVQDVLIB-HNNXBMFYSA-N 1 0 331.334 2.882 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)c1O ZINC000848919241 1334985822 /nfs/dbraw/zinc/98/58/22/1334985822.db2.gz UDVLRXJOHWPLAO-KRWDZBQOSA-N 1 0 332.444 2.528 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](OC4CCC4)C3)cc2)CC1 ZINC000848925021 1334991170 /nfs/dbraw/zinc/99/11/70/1334991170.db2.gz LDNPQAYBNOPIOT-OAQYLSRUSA-N 1 0 343.515 2.972 20 10 EFCDRO C[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@H]1CC[NH3+] ZINC001356570223 1335054931 /nfs/dbraw/zinc/05/49/31/1335054931.db2.gz RJKJKGGQLNNPJS-LPHOPBHVSA-N 1 0 344.503 2.946 20 10 EFCDRO CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Cl)cc(Cl)c1[O-] ZINC000849077857 1335070181 /nfs/dbraw/zinc/07/01/81/1335070181.db2.gz QSLNFZIXVDTIOW-GFCCVEGCSA-N 1 0 345.274 2.797 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@@H]3CC[C@@H](C)O3)C2)cc1C ZINC001020546399 713134147 /nfs/dbraw/zinc/13/41/47/713134147.db2.gz MXPSTMOVIRNJSB-DDBAPUKQSA-N 1 0 346.471 2.698 20 10 EFCDRO CCc1nocc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000969859919 713287286 /nfs/dbraw/zinc/28/72/86/713287286.db2.gz FVCDXYXVMHMQBE-OAHLLOKOSA-N 1 0 343.427 2.558 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCO[C@@H](C)C3)C2)cc1C ZINC001020831278 713412631 /nfs/dbraw/zinc/41/26/31/713412631.db2.gz LXDDUBCPNIYAOH-RANZSIQMSA-N 1 0 346.471 2.556 20 10 EFCDRO CC[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cc(Cl)ccc1O ZINC000806174342 713440490 /nfs/dbraw/zinc/44/04/90/713440490.db2.gz VQNROCZNVOBYTR-SMDDNHRTSA-N 1 0 331.865 2.911 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@@H]3CCCOC3)C2)cc1C ZINC001021061054 713547008 /nfs/dbraw/zinc/54/70/08/713547008.db2.gz FBOFBIAIZQMVTF-BZSNNMDCSA-N 1 0 346.471 2.557 20 10 EFCDRO COc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)o1 ZINC000970325033 713635386 /nfs/dbraw/zinc/63/53/86/713635386.db2.gz VPPRWCDSVSFJLY-OAHLLOKOSA-N 1 0 344.411 2.610 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCn3cccc3)C2)cc1C ZINC000970337206 713639714 /nfs/dbraw/zinc/63/97/14/713639714.db2.gz KNANRZFFWYQKQN-GOSISDBHSA-N 1 0 341.455 2.586 20 10 EFCDRO Cc1cnc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)c1 ZINC000891243660 714127311 /nfs/dbraw/zinc/12/73/11/714127311.db2.gz RSHAHXJPTWMRCQ-SFHVURJKSA-N 1 0 340.471 2.797 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCSC2)[NH+](C)C)cc1 ZINC000891246269 714132178 /nfs/dbraw/zinc/13/21/78/714132178.db2.gz BQMFPIOMUHYGMC-DOTOQJQBSA-N 1 0 335.517 2.615 20 10 EFCDRO CC(C)c1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)no1 ZINC000891246398 714133653 /nfs/dbraw/zinc/13/36/53/714133653.db2.gz CBIHQGFZBRHDDP-KRWDZBQOSA-N 1 0 344.459 2.897 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2conc2C2CC2)[NH+](C)C)cc1 ZINC000891247138 714134757 /nfs/dbraw/zinc/13/47/57/714134757.db2.gz FSCKNCXOMBVLIX-KRWDZBQOSA-N 1 0 342.443 2.651 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000175941291 714135136 /nfs/dbraw/zinc/13/51/36/714135136.db2.gz HYNFESAFRZCYRA-UHFFFAOYSA-N 1 0 345.418 2.805 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(C3CC3)no2)[NH+](C)C)cc1 ZINC000891249870 714139240 /nfs/dbraw/zinc/13/92/40/714139240.db2.gz UFEJIZQDIXZLOL-QGZVFWFLSA-N 1 0 342.443 2.651 20 10 EFCDRO CCC(C)(C)OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248873 714139726 /nfs/dbraw/zinc/13/97/26/714139726.db2.gz NVRZLUCWQFGEOV-QGZVFWFLSA-N 1 0 335.492 2.677 20 10 EFCDRO CCC1=C(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCCO1 ZINC000891248711 714139917 /nfs/dbraw/zinc/13/99/17/714139917.db2.gz NDXCVUHBNAIVKP-GOSISDBHSA-N 1 0 345.487 2.946 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(C)CC2(F)F)[NH+](C)C)cc1 ZINC000891250608 714140508 /nfs/dbraw/zinc/14/05/08/714140508.db2.gz YFVGXIOVPKKFCF-GDBMZVCRSA-N 1 0 325.403 2.517 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)CCCn2cccc2)[NH+](C)C)cc1 ZINC000891251023 714144078 /nfs/dbraw/zinc/14/40/78/714144078.db2.gz BVEWQOLPYBZDJC-LJQANCHMSA-N 1 0 342.487 2.753 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2csc(C=O)c2)[NH+](C)C)cc1 ZINC000891251862 714145490 /nfs/dbraw/zinc/14/54/90/714145490.db2.gz HQKXAVNKBRIAAG-QGZVFWFLSA-N 1 0 345.468 2.659 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2Cc3ccccc32)[NH+](C)C)cc1 ZINC000891253175 714146284 /nfs/dbraw/zinc/14/62/84/714146284.db2.gz RFTCOCQAMPHGJX-UXHICEINSA-N 1 0 337.467 2.811 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)CCC2CCOCC2)[NH+](C)C)cc1 ZINC000891253115 714146602 /nfs/dbraw/zinc/14/66/02/714146602.db2.gz QTZZUHRYQKHOKP-IBGZPJMESA-N 1 0 347.503 2.678 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)CCc2cscn2)[NH+](C)C)cc1 ZINC000891255117 714149820 /nfs/dbraw/zinc/14/98/20/714149820.db2.gz MVMPRYVTNNGYIN-QGZVFWFLSA-N 1 0 346.500 2.561 20 10 EFCDRO Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)[nH]1 ZINC000891255275 714151384 /nfs/dbraw/zinc/15/13/84/714151384.db2.gz OELQGOQBNCWDEH-SFHVURJKSA-N 1 0 328.460 2.730 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)CCC(C)(F)F)[NH+](C)C)cc1 ZINC000891255432 714151743 /nfs/dbraw/zinc/15/17/43/714151743.db2.gz PEZNAFYWBRJVRV-HNNXBMFYSA-N 1 0 327.419 2.907 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2cccc(F)c2)[NH+](C)C)cc1 ZINC000891257755 714152346 /nfs/dbraw/zinc/15/23/46/714152346.db2.gz JXWODRJOONMDSZ-IBGZPJMESA-N 1 0 343.446 2.853 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)nc2)[NH+](C)C)cc1 ZINC000891258669 714156227 /nfs/dbraw/zinc/15/62/27/714156227.db2.gz YYGWXDDNRKSLCE-INIZCTEOSA-N 1 0 346.862 2.834 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)c3cn[nH]c3)C2)cc1C ZINC000980940385 717980414 /nfs/dbraw/zinc/98/04/14/717980414.db2.gz ISAXWCLDPGSINL-IAGOWNOFSA-N 1 0 342.443 2.558 20 10 EFCDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000050901235 714508826 /nfs/dbraw/zinc/50/88/26/714508826.db2.gz MOKZZFMXJZFTGN-KBPBESRZSA-N 1 0 348.443 2.638 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3CC(F)(F)C3)C2)cc1C ZINC001021951305 714609932 /nfs/dbraw/zinc/60/99/32/714609932.db2.gz FZVUUUBPZLSZML-GASCZTMLSA-N 1 0 338.398 2.786 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC3(C)CCC3)cc2F)CC1 ZINC000160930393 714638546 /nfs/dbraw/zinc/63/85/46/714638546.db2.gz LEVQRWHYQZHTCG-UHFFFAOYSA-N 1 0 348.466 2.709 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3coc(C)c3)C2)cc1C ZINC001022012037 714648782 /nfs/dbraw/zinc/64/87/82/714648782.db2.gz ZLFUJDFNJYNYBB-CALCHBBNSA-N 1 0 328.412 2.956 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(O)c(F)c1 ZINC000891526476 714800880 /nfs/dbraw/zinc/80/08/80/714800880.db2.gz MOJZMDWOMVSVPG-UHFFFAOYSA-N 1 0 330.403 3.000 20 10 EFCDRO CCN(C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000891532862 714806056 /nfs/dbraw/zinc/80/60/56/714806056.db2.gz MWYBBJHGPLFNCD-LJQANCHMSA-N 1 0 344.503 2.816 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N(CC)[C@@H]2CC[NH2+]C2)cc1F ZINC000891533928 714806360 /nfs/dbraw/zinc/80/63/60/714806360.db2.gz IIXPKTULZZRWIH-OAHLLOKOSA-N 1 0 336.455 2.565 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)C(F)F)C2)cc1C ZINC000980281334 718015811 /nfs/dbraw/zinc/01/58/11/718015811.db2.gz YYYNUBXCWFMFOS-GXTWGEPZSA-N 1 0 326.387 2.595 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c(O)c1OC ZINC000891700555 714960622 /nfs/dbraw/zinc/96/06/22/714960622.db2.gz ZZAZFCFYBAIYMX-GFCCVEGCSA-N 1 0 349.349 2.953 20 10 EFCDRO COC(=O)[C@H](C)Oc1ccccc1C[N@H+](C)Cc1ccccc1O ZINC000891714255 714970700 /nfs/dbraw/zinc/97/07/00/714970700.db2.gz UEJMMCYNIAJJIP-AWEZNQCLSA-N 1 0 329.396 2.965 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[C@H](OC)C3)C2)cc1C ZINC001022328601 715013255 /nfs/dbraw/zinc/01/32/55/715013255.db2.gz RXBVPIMLWLVHEH-FJIDUMEYSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1cc(Br)cc(CN2CCC[C@@H]([NH+](C)C)C2)c1O ZINC000092938328 715269304 /nfs/dbraw/zinc/26/93/04/715269304.db2.gz XZULQMILPFCODH-CYBMUJFWSA-N 1 0 343.265 2.689 20 10 EFCDRO COc1ccc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c(O)c1OC ZINC000892141781 715272373 /nfs/dbraw/zinc/27/23/73/715272373.db2.gz VYJBXXSPSSADGC-OAHLLOKOSA-N 1 0 349.349 2.545 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H]3CC[C@H](C)O3)C2)cc1C ZINC001022651719 715275318 /nfs/dbraw/zinc/27/53/18/715275318.db2.gz MXPSTMOVIRNJSB-OWLYRPNTSA-N 1 0 346.471 2.698 20 10 EFCDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](CCC(C)C)[C@@H](C)C2)cc(OC)n1 ZINC000947497596 715422579 /nfs/dbraw/zinc/42/25/79/715422579.db2.gz JVCNBCKYDRIMMF-GOEBONIOSA-N 1 0 349.475 2.728 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000326920322 715535606 /nfs/dbraw/zinc/53/56/06/715535606.db2.gz IHCFLQVJMGBAOY-FQEVSTJZSA-N 1 0 337.467 2.988 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)cc1C ZINC001027114850 715604344 /nfs/dbraw/zinc/60/43/44/715604344.db2.gz JPJFPAPBZIWJBX-NZSAHSFTSA-N 1 0 342.483 2.988 20 10 EFCDRO COc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)o1 ZINC001022883574 715865964 /nfs/dbraw/zinc/86/59/64/715865964.db2.gz PUBUWCTXQRIXNT-GASCZTMLSA-N 1 0 344.411 2.656 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCO[C@H](C)C3)C2)cc1C ZINC001022897619 715908613 /nfs/dbraw/zinc/90/86/13/715908613.db2.gz LXDDUBCPNIYAOH-SPUZQDLCSA-N 1 0 346.471 2.556 20 10 EFCDRO [NH3+][C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000178715221 715914135 /nfs/dbraw/zinc/91/41/35/715914135.db2.gz SYUODKBRZKZWBU-SFHVURJKSA-N 1 0 341.480 2.556 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3c[nH]cc3C)C2)cc1C ZINC001027213190 715914986 /nfs/dbraw/zinc/91/49/86/715914986.db2.gz PCYPBESQKPQUBZ-QGZVFWFLSA-N 1 0 341.455 2.892 20 10 EFCDRO [NH2+]=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccccc1 ZINC000161523167 715990015 /nfs/dbraw/zinc/99/00/15/715990015.db2.gz SRYLDQQOHWWGIX-UHFFFAOYSA-N 1 0 328.391 2.799 20 10 EFCDRO CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466731 716197557 /nfs/dbraw/zinc/19/75/57/716197557.db2.gz RVCHYLNETLYNJD-INIZCTEOSA-N 1 0 347.503 2.901 20 10 EFCDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893515137 716425485 /nfs/dbraw/zinc/42/54/85/716425485.db2.gz HQYRQNKWZCWDGO-CQSZACIVSA-N 1 0 335.400 2.740 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)C3CCC3)CCO2)cc1C ZINC000979185089 716777063 /nfs/dbraw/zinc/77/70/63/716777063.db2.gz WAQTVYRPSJLMHG-BEFAXECRSA-N 1 0 346.471 2.509 20 10 EFCDRO C[C@H]1C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c2c1c(F)ccc2O ZINC000840875329 716795687 /nfs/dbraw/zinc/79/56/87/716795687.db2.gz CUFMGAKZRWJSAD-JQWIXIFHSA-N 1 0 329.437 2.883 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)cc1C ZINC001023830659 717073895 /nfs/dbraw/zinc/07/38/95/717073895.db2.gz YZJWKXDVUMFMGY-PKOBYXMFSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)c3ccc[nH]3)C2)cc1C ZINC001023841653 717080473 /nfs/dbraw/zinc/08/04/73/717080473.db2.gz WZRRBVFAQDWHHF-QGZVFWFLSA-N 1 0 341.455 2.974 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CN[C@@H](C)c3ncc[nH]3)cc2F)CC1 ZINC000286323585 717139889 /nfs/dbraw/zinc/13/98/89/717139889.db2.gz XRUYFBSDSLFVDP-AWEZNQCLSA-N 1 0 331.439 2.542 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)c3cocn3)C2)cc1C ZINC000980434460 717275359 /nfs/dbraw/zinc/27/53/59/717275359.db2.gz GLJUINKQMYULMN-ZBFHGGJFSA-N 1 0 343.427 2.632 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3C)C2)cc1C ZINC001024104195 717336583 /nfs/dbraw/zinc/33/65/83/717336583.db2.gz YKTFZOCMNLVOLS-WBAXXEDZSA-N 1 0 330.472 2.988 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C/C3CCCC3)cc2)CC1 ZINC000893607359 717359224 /nfs/dbraw/zinc/35/92/24/717359224.db2.gz GUWUFGMPXLMRTK-DHZHZOJOSA-N 1 0 327.472 2.801 20 10 EFCDRO [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000179371521 717411476 /nfs/dbraw/zinc/41/14/76/717411476.db2.gz ZHHSXWQQNXYTSD-GFCCVEGCSA-N 1 0 342.233 2.740 20 10 EFCDRO C[C@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1ccccc1O ZINC000310080033 717423916 /nfs/dbraw/zinc/42/39/16/717423916.db2.gz UQCLXQKAZBUCEB-KBPBESRZSA-N 1 0 336.432 2.679 20 10 EFCDRO COc1ccc(N2CCCN(C(=O)[C@H]3CC[N@@H+]3C(C)(C)C)CC2)cc1 ZINC000895809446 724320280 /nfs/dbraw/zinc/32/02/80/724320280.db2.gz KMCVSJZDPCSIRI-GOSISDBHSA-N 1 0 345.487 2.607 20 10 EFCDRO CCC[N@H+](Cc1cc2c(cc1O)CCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000179435372 717462332 /nfs/dbraw/zinc/46/23/32/717462332.db2.gz UZJFSXYEXHAHDY-KRWDZBQOSA-N 1 0 337.485 2.670 20 10 EFCDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)c(O)c1O ZINC000179460634 717469806 /nfs/dbraw/zinc/46/98/06/717469806.db2.gz ITLKZHWUTJLYRO-UHFFFAOYSA-N 1 0 328.412 2.610 20 10 EFCDRO CN(C)c1ccc(CN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C2CC2)cc1 ZINC000892450701 717551988 /nfs/dbraw/zinc/55/19/88/717551988.db2.gz ZNMRIGCFRAUWME-JCNLHEQBSA-N 1 0 344.503 2.944 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892452140 717558836 /nfs/dbraw/zinc/55/88/36/717558836.db2.gz KYBRIDBKIAWZKQ-JCNLHEQBSA-N 1 0 332.492 2.802 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)c3cnco3)C2)cc1C ZINC000980665057 717566194 /nfs/dbraw/zinc/56/61/94/717566194.db2.gz IUAGRPOACKXLTA-ZBFHGGJFSA-N 1 0 343.427 2.632 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1c(F)cccc1F ZINC000304309163 724451276 /nfs/dbraw/zinc/45/12/76/724451276.db2.gz QLDMTCCKKZNRAD-SFHVURJKSA-N 1 0 348.393 2.625 20 10 EFCDRO CN(C)[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccco1 ZINC000066969858 717819299 /nfs/dbraw/zinc/81/92/99/717819299.db2.gz XHHXGBBCMMZJFF-SFHVURJKSA-N 1 0 347.434 2.648 20 10 EFCDRO CCC[NH+]1CCC(NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000066970485 717828779 /nfs/dbraw/zinc/82/87/79/717828779.db2.gz FECZEVGNISDTOG-UHFFFAOYSA-N 1 0 335.467 2.626 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCSC(C)(C)C2)cc1 ZINC000177511504 718070111 /nfs/dbraw/zinc/07/01/11/718070111.db2.gz HUQSSEBXWWKZDA-UHFFFAOYSA-N 1 0 335.517 2.538 20 10 EFCDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000310641697 718087717 /nfs/dbraw/zinc/08/77/17/718087717.db2.gz JGEFMIODACPTSZ-OAHLLOKOSA-N 1 0 349.475 2.526 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)c3ccc[nH]3)C2)cc1C ZINC000980368555 718114722 /nfs/dbraw/zinc/11/47/22/718114722.db2.gz OACQXAOOVOORJH-RDJZCZTQSA-N 1 0 341.455 2.972 20 10 EFCDRO Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c(O)c1O ZINC000177676747 718158460 /nfs/dbraw/zinc/15/84/60/718158460.db2.gz ILMILPJCNDVNIR-CQSZACIVSA-N 1 0 340.423 2.583 20 10 EFCDRO Cc1ccc([C@H](CNC(=O)c2ccc(C)c(O)c2O)[NH+]2CCCC2)o1 ZINC000177678892 718159108 /nfs/dbraw/zinc/15/91/08/718159108.db2.gz XYSLJUKOCZKEQK-HNNXBMFYSA-N 1 0 344.411 2.875 20 10 EFCDRO O=C(NCCCSc1nccs1)NCCC[NH+]1CCCCC1 ZINC000177735789 718185045 /nfs/dbraw/zinc/18/50/45/718185045.db2.gz GIYRPNNHLRVHLT-UHFFFAOYSA-N 1 0 342.534 2.801 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CCCO2)cc1C ZINC001024857452 718192705 /nfs/dbraw/zinc/19/27/05/718192705.db2.gz GMLOGGMPSYMUPB-IEBWSBKVSA-N 1 0 346.471 2.653 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H](C)OC)cc1C ZINC001024890476 718208314 /nfs/dbraw/zinc/20/83/14/718208314.db2.gz IXTNKCXSRAKYTD-NVXWUHKLSA-N 1 0 334.460 2.509 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCCC3)nc2)c(O)c1OC ZINC000892542183 718254551 /nfs/dbraw/zinc/25/45/51/718254551.db2.gz MJZBSTASSDKTIQ-UHFFFAOYSA-N 1 0 343.427 2.694 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892565149 718290382 /nfs/dbraw/zinc/29/03/82/718290382.db2.gz PZBPCBJUVXPTOC-CALCHBBNSA-N 1 0 330.476 2.556 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892582082 718306882 /nfs/dbraw/zinc/30/68/82/718306882.db2.gz PZBPCBJUVXPTOC-QAQDUYKDSA-N 1 0 330.476 2.556 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]CC2CC2)cc1 ZINC001025171346 718396723 /nfs/dbraw/zinc/39/67/23/718396723.db2.gz MHYVETHMIFJXJH-MRXNPFEDSA-N 1 0 343.431 2.843 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)c3cnco3)C2)cc1C ZINC000981255658 718571581 /nfs/dbraw/zinc/57/15/81/718571581.db2.gz ZLFIBHRESYYGLE-CVEARBPZSA-N 1 0 343.427 2.822 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000166229356 718605237 /nfs/dbraw/zinc/60/52/37/718605237.db2.gz DRKDEOIMPDPKST-KUHUBIRLSA-N 1 0 335.467 2.653 20 10 EFCDRO CC(C)[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000981539861 718798744 /nfs/dbraw/zinc/79/87/44/718798744.db2.gz ABYJCRVXZJLARO-GJZGRUSLSA-N 1 0 331.420 2.888 20 10 EFCDRO CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000981542319 718800087 /nfs/dbraw/zinc/80/00/87/718800087.db2.gz UDSLGMKRKXUTSF-HUUCEWRRSA-N 1 0 331.420 2.890 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC3CC3)C2)cc1 ZINC000981542984 718801250 /nfs/dbraw/zinc/80/12/50/718801250.db2.gz YPOSRLCBDUDHKK-JKSUJKDBSA-N 1 0 343.431 2.890 20 10 EFCDRO C[C@@H]([NH2+]CCOc1cccnc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000169083634 718836626 /nfs/dbraw/zinc/83/66/26/718836626.db2.gz GUIFMCRXPMMKPX-OAHLLOKOSA-N 1 0 345.418 2.787 20 10 EFCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CCC2)c(O)c1 ZINC000840890367 718911752 /nfs/dbraw/zinc/91/17/52/718911752.db2.gz NBNROIUHMPAGEM-AWEZNQCLSA-N 1 0 325.474 2.875 20 10 EFCDRO CCCOc1ncccc1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892723139 719030821 /nfs/dbraw/zinc/03/08/21/719030821.db2.gz HQSCJCVRGHOKLI-UHFFFAOYSA-N 1 0 332.400 2.883 20 10 EFCDRO COCCOc1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)o1 ZINC000892734491 719075216 /nfs/dbraw/zinc/07/52/16/719075216.db2.gz ZUXKEQMAFPZRQH-UHFFFAOYSA-N 1 0 330.428 2.977 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3ccoc3)[C@@H]2C)cc1C ZINC000986181411 724563503 /nfs/dbraw/zinc/56/35/03/724563503.db2.gz RSXQAVKFRHTLQP-QAPCUYQASA-N 1 0 342.439 2.918 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(OCC3CC3)nc2)c(O)c1OC ZINC000892811777 719206282 /nfs/dbraw/zinc/20/62/82/719206282.db2.gz SUERABFNTZYMCN-UHFFFAOYSA-N 1 0 344.411 2.883 20 10 EFCDRO COC(=O)CC[N@@H+](Cc1c(O)cccc1Cl)C[C@@H]1CCCO1 ZINC000127299763 724570663 /nfs/dbraw/zinc/57/06/63/724570663.db2.gz WYMRYHIGODAHQI-LBPRGKRZSA-N 1 0 327.808 2.590 20 10 EFCDRO CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001025631453 719259242 /nfs/dbraw/zinc/25/92/42/719259242.db2.gz BJRKOEYTYSUCBM-JSGCOSHPSA-N 1 0 331.420 2.699 20 10 EFCDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(CC)Cc2ccc(N(C)C)cc2)C1(C)C ZINC000328533717 719324000 /nfs/dbraw/zinc/32/40/00/719324000.db2.gz QUSYIKYCBXAOOI-YLJYHZDGSA-N 1 0 347.503 2.634 20 10 EFCDRO COCCC[N@H+](CCOC)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000122541683 719326535 /nfs/dbraw/zinc/32/65/35/719326535.db2.gz WNDUAHSXVYEHHX-UHFFFAOYSA-N 1 0 325.449 2.880 20 10 EFCDRO COc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c(O)c1OC ZINC000893068241 719568899 /nfs/dbraw/zinc/56/88/99/719568899.db2.gz PHRIYNQABHCZGW-UHFFFAOYSA-N 1 0 332.356 2.650 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CCCC[C@H]1CC)cc2=O ZINC000163270627 724615212 /nfs/dbraw/zinc/61/52/12/724615212.db2.gz YYHHRKZKJUUZIO-IUODEOHRSA-N 1 0 346.431 2.670 20 10 EFCDRO C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000387643282 719792347 /nfs/dbraw/zinc/79/23/47/719792347.db2.gz ISLRTUCWSXBIFG-GOSISDBHSA-N 1 0 347.503 2.506 20 10 EFCDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000387643283 719793186 /nfs/dbraw/zinc/79/31/86/719793186.db2.gz ISLRTUCWSXBIFG-SFHVURJKSA-N 1 0 347.503 2.506 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)CSC)C[C@@H]23)cc1C ZINC001026189707 719882819 /nfs/dbraw/zinc/88/28/19/719882819.db2.gz WVSMTNRDAVHWOJ-BRWVUGGUSA-N 1 0 348.512 2.693 20 10 EFCDRO CC(C)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccnc1 ZINC000840975241 719963613 /nfs/dbraw/zinc/96/36/13/719963613.db2.gz MPHJTWHVAOLFQQ-UHFFFAOYSA-N 1 0 325.456 2.986 20 10 EFCDRO C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)[N@H+](C)Cc1ccccc1 ZINC000181065282 720002843 /nfs/dbraw/zinc/00/28/43/720002843.db2.gz YTLYINAKDBJUSZ-SLZMIMFISA-N 1 0 340.423 2.748 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccns3)[C@@H]2C)cc1C ZINC000986320209 724643430 /nfs/dbraw/zinc/64/34/30/724643430.db2.gz CRJHVWJVSIENBF-HIFRSBDPSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCCN(Cc3cscn3)CC2)c1O ZINC000893998184 720203188 /nfs/dbraw/zinc/20/31/88/720203188.db2.gz CXNJDBREMIYYGQ-UHFFFAOYSA-N 1 0 347.484 2.874 20 10 EFCDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000894049037 720248181 /nfs/dbraw/zinc/24/81/81/720248181.db2.gz CUOGOKTYDWSEFR-LLVKDONJSA-N 1 0 346.196 2.821 20 10 EFCDRO COc1cc(C)cc(CN2CCOC[C@H]2c2c(C)n[nH]c2C)c1O ZINC000894096007 720281992 /nfs/dbraw/zinc/28/19/92/720281992.db2.gz SYYFDYCTOMEKCU-HNNXBMFYSA-N 1 0 331.416 2.623 20 10 EFCDRO COc1ccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)c(O)c1OC ZINC000893264413 720344112 /nfs/dbraw/zinc/34/41/12/720344112.db2.gz CVKLYONWJBJETJ-SFHVURJKSA-N 1 0 335.375 2.546 20 10 EFCDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340650 720400029 /nfs/dbraw/zinc/40/00/29/720400029.db2.gz UGMGPLVGRXIUCS-OAHLLOKOSA-N 1 0 331.420 2.699 20 10 EFCDRO CCC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]12 ZINC001026429908 720564960 /nfs/dbraw/zinc/56/49/60/720564960.db2.gz GROBQNDLFLBMGY-VNQPRFMTSA-N 1 0 343.431 2.699 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000178711174 720565393 /nfs/dbraw/zinc/56/53/93/720565393.db2.gz OAZUAUGAUFMBKK-HXUWFJFHSA-N 1 0 335.451 2.790 20 10 EFCDRO COc1cc(C(=O)NC2CCC([NH2+]CCC3CC3)CC2)cc(OC)n1 ZINC001026521933 720706007 /nfs/dbraw/zinc/70/60/07/720706007.db2.gz GBVLSYQPMMBDHB-UHFFFAOYSA-N 1 0 347.459 2.530 20 10 EFCDRO COc1cc(Br)cc(CN2CC[N@H+](C)[C@@H](C)[C@H]2C)c1O ZINC000775987829 720732987 /nfs/dbraw/zinc/73/29/87/720732987.db2.gz WKWMKZRNTSUNMA-WDEREUQCSA-N 1 0 343.265 2.688 20 10 EFCDRO COc1cc(O)c(CN[C@H](C)c2nc(C(C)(C)C)no2)cc1OC ZINC000191570463 720760239 /nfs/dbraw/zinc/76/02/39/720760239.db2.gz COZXUWYJTQKSPE-SNVBAGLBSA-N 1 0 335.404 2.941 20 10 EFCDRO COC[C@@H]1C[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C[C@H](C)O1 ZINC000249769105 720793625 /nfs/dbraw/zinc/79/36/25/720793625.db2.gz JEMSYWGDCJIQPV-BBRMVZONSA-N 1 0 331.412 2.790 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3ccncc3)C2)cc1C ZINC001026643559 720878830 /nfs/dbraw/zinc/87/88/30/720878830.db2.gz DONOBYHBSSRFAY-KRWDZBQOSA-N 1 0 339.439 2.651 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3cccnc3)C2)cc1C ZINC001026648224 720889909 /nfs/dbraw/zinc/88/99/09/720889909.db2.gz PWAIXHAWDJVTJI-KRWDZBQOSA-N 1 0 339.439 2.651 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3ccco3)C2)cc1C ZINC001026649405 720892573 /nfs/dbraw/zinc/89/25/73/720892573.db2.gz PUFDFXZTWNYUAG-INIZCTEOSA-N 1 0 328.412 2.849 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3cncs3)C2)cc1C ZINC001026713990 720957371 /nfs/dbraw/zinc/95/73/71/720957371.db2.gz PZDHZHORFHFZJZ-HNNXBMFYSA-N 1 0 345.468 2.712 20 10 EFCDRO NC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000092659880 720983157 /nfs/dbraw/zinc/98/31/57/720983157.db2.gz MIBASPZOXAFQMO-NSHDSACASA-N 1 0 341.249 2.632 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)cc1C ZINC001026760737 721057517 /nfs/dbraw/zinc/05/75/17/721057517.db2.gz DXXIWPTWCKIADK-XSYGEPLQSA-N 1 0 342.483 2.988 20 10 EFCDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000195007603 721087188 /nfs/dbraw/zinc/08/71/88/721087188.db2.gz SYRFLMPKGVCGFT-IFXJQAMLSA-N 1 0 340.423 2.585 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CC3(F)F)C2)cc1C ZINC001026831396 721188574 /nfs/dbraw/zinc/18/85/74/721188574.db2.gz WPVMPDDWZPXUEX-HUUCEWRRSA-N 1 0 338.398 2.597 20 10 EFCDRO COc1cc(C)cc(C[NH2+]Cc2ccccc2N2CCOCC2)c1O ZINC000894207269 721208615 /nfs/dbraw/zinc/20/86/15/721208615.db2.gz PHNVAGPKYNKVBY-UHFFFAOYSA-N 1 0 342.439 2.836 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3ccns3)C2)cc1C ZINC001026872571 721270464 /nfs/dbraw/zinc/27/04/64/721270464.db2.gz PSMVEURIABNSFJ-OAHLLOKOSA-N 1 0 345.468 2.712 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCNC(=O)CC2CCCCC2)c1O ZINC000894256437 721763223 /nfs/dbraw/zinc/76/32/23/721763223.db2.gz BANMDEAOFHQNQK-UHFFFAOYSA-N 1 0 334.460 2.885 20 10 EFCDRO COc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(O)c1OC ZINC000894272881 721867496 /nfs/dbraw/zinc/86/74/96/721867496.db2.gz MBGOTYINBOKORE-UHFFFAOYSA-N 1 0 346.383 2.992 20 10 EFCDRO COc1ccc2c(c1)OCCN(Cc1ccc(OC)c(OC)c1O)C2 ZINC000894278701 721899462 /nfs/dbraw/zinc/89/94/62/721899462.db2.gz XYEBZOOESOZASU-UHFFFAOYSA-N 1 0 345.395 2.813 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccnc(OC(F)F)c2)c(O)c1OC ZINC000894302867 722016364 /nfs/dbraw/zinc/01/63/64/722016364.db2.gz VUEKAGIIGHKQJU-UHFFFAOYSA-N 1 0 340.326 2.696 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CN[C@H](C)c3nonc3C)cc2F)CC1 ZINC000924995831 722044268 /nfs/dbraw/zinc/04/42/68/722044268.db2.gz JQNJEBZLNGZEJO-CYBMUJFWSA-N 1 0 347.438 2.510 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CN[C@@H](C)c3nonc3C)cc2F)CC1 ZINC000924995832 722044621 /nfs/dbraw/zinc/04/46/21/722044621.db2.gz JQNJEBZLNGZEJO-ZDUSSCGKSA-N 1 0 347.438 2.510 20 10 EFCDRO COc1cc(OC)cc(OCC[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894351919 722168705 /nfs/dbraw/zinc/16/87/05/722168705.db2.gz IZMYFEFBMMOABX-UHFFFAOYSA-N 1 0 347.411 2.895 20 10 EFCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894376458 722650544 /nfs/dbraw/zinc/65/05/44/722650544.db2.gz ZLVWOCOELNIOGD-UHFFFAOYSA-N 1 0 349.452 2.793 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCCCO3)C2)cc1C ZINC000983486280 722660193 /nfs/dbraw/zinc/66/01/93/722660193.db2.gz AXYFFGZQWYEMMS-LNLFQRSKSA-N 1 0 346.471 2.557 20 10 EFCDRO CCOC(=O)N[C@H](C[NH2+]Cc1cc(C)cc(OC)c1O)CC(C)C ZINC000894383676 722674857 /nfs/dbraw/zinc/67/48/57/722674857.db2.gz HKDSVAFOTOPFPC-HNNXBMFYSA-N 1 0 338.448 2.960 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CC2(N3CCCCC3)CCOCC2)c1O ZINC000894395015 722694984 /nfs/dbraw/zinc/69/49/84/722694984.db2.gz ZWMQKUFLETWIOH-UHFFFAOYSA-N 1 0 348.487 2.834 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(O)c1OC ZINC000894419863 722731654 /nfs/dbraw/zinc/73/16/54/722731654.db2.gz VPLGZIPVPKYWQE-HNNXBMFYSA-N 1 0 349.349 2.689 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)c1O ZINC000894472578 722746500 /nfs/dbraw/zinc/74/65/00/722746500.db2.gz YWVJLJBYFRPICT-MRXNPFEDSA-N 1 0 349.452 2.585 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CC3(F)F)C2)cc1C ZINC000983617508 722782425 /nfs/dbraw/zinc/78/24/25/722782425.db2.gz BXOLKLXXASFZBF-RBSFLKMASA-N 1 0 338.398 2.643 20 10 EFCDRO COc1ccc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)c(O)c1OC ZINC000894614020 722796904 /nfs/dbraw/zinc/79/69/04/722796904.db2.gz WJSIXQDESQGAGO-GOSISDBHSA-N 1 0 346.427 2.654 20 10 EFCDRO COc1ccc(C[NH2+]Cc2cc(F)cnc2Cl)c(O)c1OC ZINC000894663668 722810585 /nfs/dbraw/zinc/81/05/85/722810585.db2.gz NHSTZRDBTFTJTM-UHFFFAOYSA-N 1 0 326.755 2.887 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](Cc2ccccc2)OC)c(O)c1OC ZINC000894678013 722813668 /nfs/dbraw/zinc/81/36/68/722813668.db2.gz ZIIGEKQFCUTMOA-MRXNPFEDSA-N 1 0 331.412 2.757 20 10 EFCDRO COc1cccc2c1C[N@H+](Cc1ccc(OC)c(OC)c1O)CC2 ZINC000894743842 722834850 /nfs/dbraw/zinc/83/48/50/722834850.db2.gz YRAYLSMUTWDVPJ-UHFFFAOYSA-N 1 0 329.396 2.976 20 10 EFCDRO Oc1ccc(Br)cc1C[NH2+]CCO[C@H]1CCCCO1 ZINC000894798312 722850013 /nfs/dbraw/zinc/85/00/13/722850013.db2.gz BCHVFJPSERBMHR-AWEZNQCLSA-N 1 0 330.222 2.788 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCO[C@H]3CCCCO3)CC2)cc1 ZINC000894799018 722850376 /nfs/dbraw/zinc/85/03/76/722850376.db2.gz JDBRRLLCZWUWMX-IBGZPJMESA-N 1 0 334.460 2.797 20 10 EFCDRO COc1cc(C)cc(C[NH2+]Cc2cccc(N3CCOCC3)c2)c1O ZINC000894855834 722898700 /nfs/dbraw/zinc/89/87/00/722898700.db2.gz TUORDSGQADKGJL-UHFFFAOYSA-N 1 0 342.439 2.836 20 10 EFCDRO NC(=O)[C@@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)C[C@H]1c1ccccc1 ZINC000895005645 723047069 /nfs/dbraw/zinc/04/70/69/723047069.db2.gz QHJPNVPHLIHJIH-QWHCGFSZSA-N 1 0 348.805 2.886 20 10 EFCDRO Cc1nnc([C@H]2CC[N@H+](Cc3c(O)cccc3Br)C2)[nH]1 ZINC000895013078 723050222 /nfs/dbraw/zinc/05/02/22/723050222.db2.gz XPWSCIZKLWCPMQ-JTQLQIEISA-N 1 0 337.221 2.571 20 10 EFCDRO Cc1ccoc1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895017312 723051144 /nfs/dbraw/zinc/05/11/44/723051144.db2.gz CODFEBNGJGRIIO-KRWDZBQOSA-N 1 0 344.459 2.756 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)cc1F ZINC000895007139 723051543 /nfs/dbraw/zinc/05/15/43/723051543.db2.gz UDKAUYFHJXWVIO-SJORKVTESA-N 1 0 341.430 2.593 20 10 EFCDRO Oc1cc2c(cc1C[NH+]1CCC(Nc3ccccn3)CC1)OCO2 ZINC000896198879 723192691 /nfs/dbraw/zinc/19/26/91/723192691.db2.gz WXBGHRPRDHXDRT-UHFFFAOYSA-N 1 0 327.384 2.592 20 10 EFCDRO CCS(=O)(=O)CC[NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000727838378 723197065 /nfs/dbraw/zinc/19/70/65/723197065.db2.gz KEQDBKUUPJXNRN-UHFFFAOYSA-N 1 0 334.485 2.927 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2C=CCC2)[NH+](C)C)cc1 ZINC000896418343 723294112 /nfs/dbraw/zinc/29/41/12/723294112.db2.gz MLJXBNFYNWWKAQ-YJBOKZPZSA-N 1 0 330.476 2.621 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000066971299 723375775 /nfs/dbraw/zinc/37/57/75/723375775.db2.gz JSROAJHFBCAEEK-IBGZPJMESA-N 1 0 348.393 2.625 20 10 EFCDRO C[S@@](=O)CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000896678842 723436989 /nfs/dbraw/zinc/43/69/89/723436989.db2.gz OVKYZFNIWPAFOM-HSZRJFAPSA-N 1 0 333.453 2.829 20 10 EFCDRO CN(C)CC[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000154612847 728822067 /nfs/dbraw/zinc/82/20/67/728822067.db2.gz UPTPUNKEHQDBJC-UHFFFAOYSA-N 1 0 331.504 2.829 20 10 EFCDRO CCOC(=O)c1ncc(C[NH2+]Cc2cc(Cl)ccc2O)s1 ZINC000895155747 723481827 /nfs/dbraw/zinc/48/18/27/723481827.db2.gz MCCDXPBLORLQCJ-UHFFFAOYSA-N 1 0 326.805 2.969 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3nccs3)C2)cc1C ZINC000984953117 723573215 /nfs/dbraw/zinc/57/32/15/723573215.db2.gz NBPJBMOIKTXVHE-SHTZXODSSA-N 1 0 345.468 2.758 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+]CCn2cccn2)ccc1N1CCCCC1 ZINC000918198523 728853505 /nfs/dbraw/zinc/85/35/05/728853505.db2.gz DBFSUYNIOZOAOB-UHFFFAOYSA-N 1 0 329.404 2.571 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000918215596 728855316 /nfs/dbraw/zinc/85/53/16/728855316.db2.gz GMTCDCAISQBPEY-MOPGFXCFSA-N 1 0 344.503 2.959 20 10 EFCDRO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000895324623 724033685 /nfs/dbraw/zinc/03/36/85/724033685.db2.gz QTJVVMRQNDDXCK-SFHVURJKSA-N 1 0 340.423 2.585 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(NS(C)(=O)=O)c1 ZINC000067505161 724098319 /nfs/dbraw/zinc/09/83/19/724098319.db2.gz DTHLUJOAOGWYHH-ZDUSSCGKSA-N 1 0 346.452 2.844 20 10 EFCDRO COc1cc(C)cc(C[NH2+]Cc2cc3c([nH]c2=O)CCCC3)c1O ZINC000895465787 724147958 /nfs/dbraw/zinc/14/79/58/724147958.db2.gz SQEIEHDBDRAGGU-UHFFFAOYSA-N 1 0 328.412 2.978 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)c(O)c1OC ZINC000895492811 724158943 /nfs/dbraw/zinc/15/89/43/724158943.db2.gz FUNUTWNSJNGSQD-MRXNPFEDSA-N 1 0 344.411 2.596 20 10 EFCDRO Cc1ccc(C[NH2+]C[C@H]2CC(c3ccc4c(c3)CCO4)=NO2)c(O)c1 ZINC000895507567 724166269 /nfs/dbraw/zinc/16/62/69/724166269.db2.gz HXXNDZWODBTDCV-QGZVFWFLSA-N 1 0 338.407 2.918 20 10 EFCDRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3c(C)cccc3O)C2)cc1 ZINC000895495302 724166518 /nfs/dbraw/zinc/16/65/18/724166518.db2.gz CTPDREQOTSLXFK-INIZCTEOSA-N 1 0 326.396 2.992 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)c(O)c1OC ZINC000895587447 724208790 /nfs/dbraw/zinc/20/87/90/724208790.db2.gz UIYXJJJZNYPALF-HXUWFJFHSA-N 1 0 343.423 2.893 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001029604207 724211275 /nfs/dbraw/zinc/21/12/75/724211275.db2.gz ZGBHFZUFYOECGH-IYBDPMFKSA-N 1 0 341.415 2.548 20 10 EFCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(N3CCNC3=O)cc2)c1O ZINC000895604401 724216545 /nfs/dbraw/zinc/21/65/45/724216545.db2.gz IEUORYDHTUZUSO-UHFFFAOYSA-N 1 0 341.411 2.529 20 10 EFCDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1ccc(N(C)C)cc1C)C(F)(F)F ZINC000895715224 724275049 /nfs/dbraw/zinc/27/50/49/724275049.db2.gz AOXCFERZYYVWKZ-ROJDOSBLSA-N 1 0 346.393 2.994 20 10 EFCDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1cc(C)cc(OC)c1O)C(F)(F)F ZINC000895717300 724276938 /nfs/dbraw/zinc/27/69/38/724276938.db2.gz NFVCLKNHSTUPRS-IYKSTZQJSA-N 1 0 349.349 2.642 20 10 EFCDRO CCO/C=C\[C@](O)(C[NH2+]Cc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000895718267 724278138 /nfs/dbraw/zinc/27/81/38/724278138.db2.gz LYJVYCXAAFNQJV-GQSKFBFOSA-N 1 0 345.361 2.945 20 10 EFCDRO CCO/C=C\[C@](O)(C[NH2+]Cc1cc(Cl)ccc1O)C(F)(F)F ZINC000895709252 724279670 /nfs/dbraw/zinc/27/96/70/724279670.db2.gz YIVFKOVTDJKVPC-SZZPACECSA-N 1 0 339.741 2.979 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)NCCC(C)(C)F)[NH+](C)C)cc1 ZINC000895774365 724307743 /nfs/dbraw/zinc/30/77/43/724307743.db2.gz FBEQNTWRONXBDN-INIZCTEOSA-N 1 0 338.471 2.793 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c(C(F)(F)F)c1 ZINC000895781217 724318996 /nfs/dbraw/zinc/31/89/96/724318996.db2.gz JSQZOHAYAGKZNQ-PEYYIBSZSA-N 1 0 328.378 2.974 20 10 EFCDRO CC1=CC[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000895815092 724328975 /nfs/dbraw/zinc/32/89/75/724328975.db2.gz ZLJXELGLOKQEMG-SFHVURJKSA-N 1 0 327.472 2.977 20 10 EFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]C3CC4(CCC4)C3)cc2)CC1 ZINC000895814946 724329009 /nfs/dbraw/zinc/32/90/09/724329009.db2.gz VMVJJUVPQFTASR-UHFFFAOYSA-N 1 0 327.472 2.811 20 10 EFCDRO CCOc1ccc(C[NH2+]CCc2ccccc2C(=O)OC)c(O)c1 ZINC000897309397 724337538 /nfs/dbraw/zinc/33/75/38/724337538.db2.gz GTOUXVSHYJLABF-UHFFFAOYSA-N 1 0 329.396 2.910 20 10 EFCDRO CC1CCN(C(=[NH2+])NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000303266717 724355050 /nfs/dbraw/zinc/35/50/50/724355050.db2.gz WHFHQPKHUYCZNR-UHFFFAOYSA-N 1 0 332.517 2.996 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)[NH+]2CCCCC2)c1 ZINC000729049450 724876600 /nfs/dbraw/zinc/87/66/00/724876600.db2.gz FOJAKWUUYFKYAY-KBPBESRZSA-N 1 0 335.448 2.635 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cccn3C)[C@H]2C)cc1C ZINC000985982738 724998770 /nfs/dbraw/zinc/99/87/70/724998770.db2.gz IEYRPSLIHGSXDJ-RDJZCZTQSA-N 1 0 341.455 2.735 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cccn3C)[C@H]2C)cc1C ZINC000985982728 724998802 /nfs/dbraw/zinc/99/88/02/724998802.db2.gz IEYRPSLIHGSXDJ-DOTOQJQBSA-N 1 0 341.455 2.735 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1O ZINC000154824369 728931094 /nfs/dbraw/zinc/93/10/94/728931094.db2.gz DHZKXQJIWLORJU-MRXNPFEDSA-N 1 0 332.444 2.529 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)cc1F ZINC000174639008 725506303 /nfs/dbraw/zinc/50/63/03/725506303.db2.gz ONKMDXVRXBHYOS-UHFFFAOYSA-N 1 0 344.496 2.975 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3c[nH]cc3C)cc2F)CC1 ZINC000730235410 725513121 /nfs/dbraw/zinc/51/31/21/725513121.db2.gz WSKMOEKWMXIPTA-UHFFFAOYSA-N 1 0 344.434 2.534 20 10 EFCDRO C[C@@H]1[C@@H]([NH2+]CC2CCC2)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000987582819 725765459 /nfs/dbraw/zinc/76/54/59/725765459.db2.gz AWNPCSGLXZMIIJ-WBMJQRKESA-N 1 0 343.431 2.842 20 10 EFCDRO C[C@H]1[C@@H]([NH2+]CCC2CC2)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000987584171 725766412 /nfs/dbraw/zinc/76/64/12/725766412.db2.gz INTMNKQGGVBRPZ-LRDDRELGSA-N 1 0 343.431 2.842 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C(C)(F)F)C2)cc1C ZINC000987754893 725839942 /nfs/dbraw/zinc/83/99/42/725839942.db2.gz LEIRBNJQXITGAJ-GXTWGEPZSA-N 1 0 326.387 2.738 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3ccccn3)C2)cc1C ZINC000987799610 725853756 /nfs/dbraw/zinc/85/37/56/725853756.db2.gz SBHARKAGQBOZBH-WBVHZDCISA-N 1 0 339.439 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3ccoc3)C2)cc1C ZINC000988068165 726054897 /nfs/dbraw/zinc/05/48/97/726054897.db2.gz JCZDLWGRLUERMJ-RHSMWYFYSA-N 1 0 328.412 2.989 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3ccoc3)C2)cc1C ZINC000988068167 726055326 /nfs/dbraw/zinc/05/53/26/726055326.db2.gz JCZDLWGRLUERMJ-YOEHRIQHSA-N 1 0 328.412 2.989 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C3=COCCC3)C2)cc1C ZINC000988310917 726165229 /nfs/dbraw/zinc/16/52/29/726165229.db2.gz OHXCBJHPIXKTQW-QAPCUYQASA-N 1 0 344.455 2.777 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000324186401 726167922 /nfs/dbraw/zinc/16/79/22/726167922.db2.gz IXVPVJWXPUDFPC-MNOVXSKESA-N 1 0 327.384 2.982 20 10 EFCDRO COc1ccc(N2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)cc1 ZINC000729298238 726231991 /nfs/dbraw/zinc/23/19/91/726231991.db2.gz XVAGWSNXCRFGFV-UHFFFAOYSA-N 1 0 345.487 2.610 20 10 EFCDRO CN1CCCc2cc(CNC(=O)CCCC[NH+]3CCCC3)ccc21 ZINC000729349810 726319940 /nfs/dbraw/zinc/31/99/40/726319940.db2.gz QEQBOSZGTBJXFG-UHFFFAOYSA-N 1 0 329.488 2.951 20 10 EFCDRO COC(=O)c1ccc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1 ZINC000897520956 726396372 /nfs/dbraw/zinc/39/63/72/726396372.db2.gz BKLVWTPVPDOWBK-QGZVFWFLSA-N 1 0 342.443 2.649 20 10 EFCDRO COC(=O)c1cnc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000897521160 726396938 /nfs/dbraw/zinc/39/69/38/726396938.db2.gz DMFQQNAMXCXPSI-CQSZACIVSA-N 1 0 348.472 2.711 20 10 EFCDRO Cc1noc2ncnc(NC[C@@H](c3ccc(N(C)C)cc3)[NH+](C)C)c12 ZINC000897521407 726397474 /nfs/dbraw/zinc/39/74/74/726397474.db2.gz FYWKKWVDGVAVMB-HNNXBMFYSA-N 1 0 340.431 2.707 20 10 EFCDRO CN(C)c1ccc([C@@H](CNc2cccnc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000897523263 726403145 /nfs/dbraw/zinc/40/31/45/726403145.db2.gz SJEZXBXCEJRYBQ-MRXNPFEDSA-N 1 0 329.404 2.771 20 10 EFCDRO O=C(C1CCC1)N(CCC[NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000731360904 726846443 /nfs/dbraw/zinc/84/64/43/726846443.db2.gz PLJSNUNUNUUBCH-UHFFFAOYSA-N 1 0 328.456 2.892 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(CC(N)=O)cc2)cc1F ZINC000731360959 726846724 /nfs/dbraw/zinc/84/67/24/726846724.db2.gz RHCQBZANSHGFLU-UHFFFAOYSA-N 1 0 343.446 2.990 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCCO3)CC2)cc1C ZINC000991111137 727120771 /nfs/dbraw/zinc/12/07/71/727120771.db2.gz QYGPRRIDRGGNSL-IBGZPJMESA-N 1 0 346.471 2.653 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000732576736 727162207 /nfs/dbraw/zinc/16/22/07/727162207.db2.gz OEDDKKXEPSINDW-HXUWFJFHSA-N 1 0 331.504 2.829 20 10 EFCDRO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000732796767 727233268 /nfs/dbraw/zinc/23/32/68/727233268.db2.gz HVCFMCDHOASMGS-INIZCTEOSA-N 1 0 339.439 2.917 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)NCC[N@H+](C)C3CC3)cc2)CC1 ZINC000732890509 727269766 /nfs/dbraw/zinc/26/97/66/727269766.db2.gz HWUZVPWCZIKXQG-UHFFFAOYSA-N 1 0 344.503 2.816 20 10 EFCDRO C[N@H+](CCNC(=O)N(Cc1ccco1)Cc1ccccc1O)C1CC1 ZINC000732892016 727269948 /nfs/dbraw/zinc/26/99/48/727269948.db2.gz YQKOUQSHVDDBRG-UHFFFAOYSA-N 1 0 343.427 2.791 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000324462913 727273961 /nfs/dbraw/zinc/27/39/61/727273961.db2.gz YNVVBLYBTFERBV-HXUWFJFHSA-N 1 0 325.456 2.975 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000324462912 727274006 /nfs/dbraw/zinc/27/40/06/727274006.db2.gz YNVVBLYBTFERBV-FQEVSTJZSA-N 1 0 325.456 2.975 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccnc1 ZINC000732917483 727308126 /nfs/dbraw/zinc/30/81/26/727308126.db2.gz VCLODLUIAYSGST-QAPCUYQASA-N 1 0 338.455 2.634 20 10 EFCDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155676633 727382159 /nfs/dbraw/zinc/38/21/59/727382159.db2.gz WVSSXSBFANTMGT-SFHVURJKSA-N 1 0 342.487 2.546 20 10 EFCDRO Cc1cc(C)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)n1 ZINC000911667296 727576649 /nfs/dbraw/zinc/57/66/49/727576649.db2.gz PQGQSOHCAPDZFY-QGZVFWFLSA-N 1 0 326.444 2.503 20 10 EFCDRO Cc1cc(Cl)nc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000911667727 727576849 /nfs/dbraw/zinc/57/68/49/727576849.db2.gz RGKLWDMFGWSZKE-AWEZNQCLSA-N 1 0 332.835 2.539 20 10 EFCDRO CC[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)[NH+](C)C ZINC000912107662 727654712 /nfs/dbraw/zinc/65/47/12/727654712.db2.gz VIXFBBPJTBVHCI-HNNXBMFYSA-N 1 0 345.409 2.984 20 10 EFCDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000912810621 727746979 /nfs/dbraw/zinc/74/69/79/727746979.db2.gz WWEFUQCAKSXNFH-DYIUODAASA-N 1 0 332.444 2.690 20 10 EFCDRO CC(C)[N@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cc1ccc(N(C)C)cc1 ZINC000917074957 727763535 /nfs/dbraw/zinc/76/35/35/727763535.db2.gz MRJLHDAHSWPTKA-IAGOWNOFSA-N 1 0 347.503 2.599 20 10 EFCDRO Cc1n[nH]c(C)c1NC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000917074810 727763617 /nfs/dbraw/zinc/76/36/17/727763617.db2.gz GRXGIGLYMCTLNV-UHFFFAOYSA-N 1 0 343.475 2.942 20 10 EFCDRO C[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCC[N@@H+]1CCCF ZINC000994497765 727772087 /nfs/dbraw/zinc/77/20/87/727772087.db2.gz RENZGSUYHWOCRB-DOMZBBRYSA-N 1 0 349.410 2.791 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)C1CCCCC1)cc2=O ZINC000182941378 727885243 /nfs/dbraw/zinc/88/52/43/727885243.db2.gz RNVGGOCTPLHRHS-LBPRGKRZSA-N 1 0 346.431 2.670 20 10 EFCDRO [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000841099543 727970159 /nfs/dbraw/zinc/97/01/59/727970159.db2.gz LLTQIJHQWHTFHN-PBHICJAKSA-N 1 0 342.842 2.903 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2F)c1 ZINC000182315985 728078272 /nfs/dbraw/zinc/07/82/72/728078272.db2.gz VJCFTILGWIDFGY-OLZOCXBDSA-N 1 0 335.375 2.630 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COCc2ccccc2)c1 ZINC000182394058 728134537 /nfs/dbraw/zinc/13/45/37/728134537.db2.gz NDEWAPSYYDQANO-ZBFHGGJFSA-N 1 0 331.412 2.629 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000182398712 728134983 /nfs/dbraw/zinc/13/49/83/728134983.db2.gz MVYYDWFZKNAOOX-ZDUSSCGKSA-N 1 0 339.395 2.952 20 10 EFCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000157834608 728238654 /nfs/dbraw/zinc/23/86/54/728238654.db2.gz BUZUCXZYWHIZNY-FQEVSTJZSA-N 1 0 344.430 2.660 20 10 EFCDRO COCCOCCCC[NH2+]Cc1cc(Br)ccc1O ZINC000227442812 728333124 /nfs/dbraw/zinc/33/31/24/728333124.db2.gz UOTOSSKPOQAINT-UHFFFAOYSA-N 1 0 332.238 2.688 20 10 EFCDRO CC[C@H]([NH2+]CCN(C)CCOC)c1cc(Br)ccc1O ZINC000061375535 728515217 /nfs/dbraw/zinc/51/52/17/728515217.db2.gz WECIDWVQGGWOIL-AWEZNQCLSA-N 1 0 345.281 2.774 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000171737316 728551179 /nfs/dbraw/zinc/55/11/79/728551179.db2.gz HIPHGSFGXWSWNK-CYBMUJFWSA-N 1 0 347.459 2.635 20 10 EFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171836364 728555458 /nfs/dbraw/zinc/55/54/58/728555458.db2.gz GRZRQHBWTMUGHJ-LJQANCHMSA-N 1 0 344.503 2.960 20 10 EFCDRO CCc1cc(CN2CCO[C@H](CNC(C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000172169601 728571719 /nfs/dbraw/zinc/57/17/19/728571719.db2.gz VMUXHCAOMHDTSS-QGZVFWFLSA-N 1 0 348.487 2.589 20 10 EFCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1 ZINC000173374322 728624600 /nfs/dbraw/zinc/62/46/00/728624600.db2.gz ZRJRMSRBSAUUGW-KRWDZBQOSA-N 1 0 348.487 2.692 20 10 EFCDRO COCCOC[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173396568 728624924 /nfs/dbraw/zinc/62/49/24/728624924.db2.gz ZWJBGLULIHIDIO-CQSZACIVSA-N 1 0 337.460 2.880 20 10 EFCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]C1CCOCC1 ZINC000174278133 728659419 /nfs/dbraw/zinc/65/94/19/728659419.db2.gz NHMAOXNEPUDKNY-UHFFFAOYSA-N 1 0 344.377 2.811 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3nocc3C)C[C@H]2C)cc1C ZINC000939485206 728953139 /nfs/dbraw/zinc/95/31/39/728953139.db2.gz NEQUCSCHGDAQNT-CZUORRHYSA-N 1 0 343.427 2.550 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)NC1CC[NH+](C)CC1 ZINC000920310783 729170788 /nfs/dbraw/zinc/17/07/88/729170788.db2.gz FIJSLOJYXLHPSU-UHFFFAOYSA-N 1 0 348.560 2.932 20 10 EFCDRO C[C@@H]1CN(c2ccc(CN[C@H]3CC[NH2+]C3(C)C)cc2F)C[C@@H](C)O1 ZINC000925480435 729189777 /nfs/dbraw/zinc/18/97/77/729189777.db2.gz MDILVPPXWFCRMG-LBTNJELSSA-N 1 0 335.467 2.669 20 10 EFCDRO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccccc1O ZINC000179552833 729591312 /nfs/dbraw/zinc/59/13/12/729591312.db2.gz VDMIRSWJENMKCY-UHFFFAOYSA-N 1 0 341.411 2.811 20 10 EFCDRO C[C@H](CC(=O)NCc1ccc2c(c1)CCCN2C)C1CC[NH2+]CC1 ZINC000237676482 729601290 /nfs/dbraw/zinc/60/12/90/729601290.db2.gz NROOUFBXPYTVLC-OAHLLOKOSA-N 1 0 329.488 2.711 20 10 EFCDRO Cc1ccc(C[N@H+](CCO)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000180846180 729769673 /nfs/dbraw/zinc/76/96/73/729769673.db2.gz SSEMQXQLLSTCSS-UHFFFAOYSA-N 1 0 340.467 2.826 20 10 EFCDRO CCOc1cccc(C[NH2+][C@@](C)(CO)Cc2ccccc2OC)c1O ZINC000865715746 1126115228 /nfs/dbraw/zinc/11/52/28/1126115228.db2.gz DELSSFNNQAXPRU-HXUWFJFHSA-N 1 0 345.439 2.883 20 10 EFCDRO CCOc1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)cc2)c(O)c1 ZINC000873191576 1126119525 /nfs/dbraw/zinc/11/95/25/1126119525.db2.gz PSTUEVMFYOUDDX-HXUWFJFHSA-N 1 0 345.439 2.883 20 10 EFCDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(C)ccc2O)cc1OC ZINC000873191720 1126119771 /nfs/dbraw/zinc/11/97/71/1126119771.db2.gz SOKLOUVSKNXLPJ-FQEVSTJZSA-N 1 0 345.439 2.801 20 10 EFCDRO CC(C)[C@@H]1[NH2+]CC12CCN(C(=O)NCc1ccc(N(C)C)cc1)CC2 ZINC001575520887 1088528767 /nfs/dbraw/zinc/52/87/67/1088528767.db2.gz OOAVCRARGJURMK-SFHVURJKSA-N 1 0 344.503 2.672 20 10 EFCDRO CC(C)C[NH2+]CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC001575604142 1088581194 /nfs/dbraw/zinc/58/11/94/1088581194.db2.gz SAZVOZGVHIGGLF-UHFFFAOYSA-N 1 0 345.409 2.889 20 10 EFCDRO C[C@H]([NH3+])[C@@H]1CN(Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC001576138578 1088956101 /nfs/dbraw/zinc/95/61/01/1088956101.db2.gz IVFIVAWPGJRNGW-KXBFYZLASA-N 1 0 345.512 2.933 20 10 EFCDRO CC[C@@H](CC(F)(F)F)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001577043601 1089611904 /nfs/dbraw/zinc/61/19/04/1089611904.db2.gz KFBLNXTWHZBSPX-FZMZJTMJSA-N 1 0 331.382 2.847 20 10 EFCDRO CC[C@H]([NH3+])Cn1c(C)nnc1N(C)Cc1ccc(N2CCCC2)cc1 ZINC001577133922 1089686401 /nfs/dbraw/zinc/68/64/01/1089686401.db2.gz GSMPYOKPBGURBB-KRWDZBQOSA-N 1 0 342.491 2.560 20 10 EFCDRO CC[C@H]([NH2+]C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC001577167547 1089717412 /nfs/dbraw/zinc/71/74/12/1089717412.db2.gz DMBMBABTZYCBON-AWEZNQCLSA-N 1 0 331.382 2.642 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)/C=C\SCc2ccco2)cc1 ZINC001578424767 1090369095 /nfs/dbraw/zinc/36/90/95/1090369095.db2.gz VCJNNGFSDPPJDH-CCCPALQASA-N 1 0 345.468 2.909 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(-n3cccc3)cc2)cc1 ZINC001578424632 1090369649 /nfs/dbraw/zinc/36/96/49/1090369649.db2.gz PUPYIBBDRHLRJC-HXUWFJFHSA-N 1 0 348.450 2.973 20 10 EFCDRO C[NH2+][C@H](C)CCNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC001578571950 1090400342 /nfs/dbraw/zinc/40/03/42/1090400342.db2.gz XZFGAEYQWWRPBL-CYBMUJFWSA-N 1 0 327.428 2.634 20 10 EFCDRO C[NH2+]C[C@H]1CCN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1 ZINC001578664441 1090416572 /nfs/dbraw/zinc/41/65/72/1090416572.db2.gz YAKFNGJIOFGCIV-MRXNPFEDSA-N 1 0 339.439 2.588 20 10 EFCDRO COC1CCN(c2ccc(CN[C@@H]3[C@@H](C)CC[NH2+][C@H]3C)cc2)CC1 ZINC001578941060 1090484071 /nfs/dbraw/zinc/48/40/71/1090484071.db2.gz NUVYOUFADVJCQQ-TWOQFEAHSA-N 1 0 331.504 2.778 20 10 EFCDRO COc1c([O-])c(C[NH+]2CCC3(C[NH2+][C@H]3C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001579136684 1090522260 /nfs/dbraw/zinc/52/22/60/1090522260.db2.gz PUXRSMOSPQRKDW-KRWDZBQOSA-N 1 0 349.431 2.519 20 10 EFCDRO COc1ccc2c(c1)N(C(=O)c1cccc3c1CC[NH2+]C3)C[C@H](C)O2 ZINC001579244852 1090559622 /nfs/dbraw/zinc/55/96/22/1090559622.db2.gz MTXPXZMHXBSUSD-ZDUSSCGKSA-N 1 0 338.407 2.769 20 10 EFCDRO Cc1cc(CC(=O)N[C@](C)(C[NH3+])C2CC2)c(C)n1-c1ccccc1 ZINC001579590250 1090638230 /nfs/dbraw/zinc/63/82/30/1090638230.db2.gz WRZCYOWWQHCHHE-HXUWFJFHSA-N 1 0 325.456 2.880 20 10 EFCDRO Cc1cc(CC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)c(C)n1-c1ccccc1 ZINC001579589634 1090638649 /nfs/dbraw/zinc/63/86/49/1090638649.db2.gz LNRVXVOKOMZJEX-RXVVDRJESA-N 1 0 337.467 2.895 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC001579617373 1090643864 /nfs/dbraw/zinc/64/38/64/1090643864.db2.gz OQCHLKNEOREUDE-JKSUJKDBSA-N 1 0 346.519 2.679 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC1([NH3+])CCCC1 ZINC001579617650 1090644611 /nfs/dbraw/zinc/64/46/11/1090644611.db2.gz SCZWJHPCORUOIA-OAHLLOKOSA-N 1 0 332.492 2.563 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)ccc1C ZINC001579660126 1090655326 /nfs/dbraw/zinc/65/53/26/1090655326.db2.gz DBPIUBBJCYTSEQ-SFHVURJKSA-N 1 0 339.439 2.649 20 10 EFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC001579674390 1090658892 /nfs/dbraw/zinc/65/88/92/1090658892.db2.gz RHTVFEYHWLIOLS-KDOFPFPSSA-N 1 0 329.469 2.837 20 10 EFCDRO Cc1ccc(O)c(CNC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)c1 ZINC001579723245 1090671944 /nfs/dbraw/zinc/67/19/44/1090671944.db2.gz GJJHSZWRKGWYPL-GOSISDBHSA-N 1 0 341.411 2.683 20 10 EFCDRO Cc1ccc(O)c(CNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)c1 ZINC001579723255 1090672151 /nfs/dbraw/zinc/67/21/51/1090672151.db2.gz GTIWCOGJZIMDBF-UHFFFAOYSA-N 1 0 337.423 2.934 20 10 EFCDRO O=C(C[C@H]1[NH2+]Cc2ccccc21)NCc1ccc2cccnc2c1O ZINC001580523586 1090932259 /nfs/dbraw/zinc/93/22/59/1090932259.db2.gz XCKPQWLGQSOJBO-QGZVFWFLSA-N 1 0 333.391 2.791 20 10 EFCDRO Oc1cccc(Br)c1CN[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001580888525 1091035461 /nfs/dbraw/zinc/03/54/61/1091035461.db2.gz OGJISLZEWLNOAQ-XJKSGUPXSA-N 1 0 347.256 3.000 20 10 EFCDRO [O-]c1c(F)cc(Br)cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001580886133 1091035768 /nfs/dbraw/zinc/03/57/68/1091035768.db2.gz ZZWXPJPDLLKLLL-UHFFFAOYSA-N 1 0 343.240 2.869 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccn(C(C)C)n2)cc1C ZINC001167497930 1092358922 /nfs/dbraw/zinc/35/89/22/1092358922.db2.gz SSTBKOQBJVARKF-UHFFFAOYSA-N 1 0 344.459 2.691 20 10 EFCDRO C[C@@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CCC1 ZINC001267156874 1092955658 /nfs/dbraw/zinc/95/56/58/1092955658.db2.gz YLQAHVXTNLTJNW-LBPRGKRZSA-N 1 0 331.420 2.747 20 10 EFCDRO C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589952393 1093191614 /nfs/dbraw/zinc/19/16/14/1093191614.db2.gz SPPZABNAFZZPFD-NSHDSACASA-N 1 0 344.463 2.532 20 10 EFCDRO CC[C@H]([NH2+][C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1ccccc1O ZINC001590464984 1093434760 /nfs/dbraw/zinc/43/47/60/1093434760.db2.gz RXTIBIUPCQFOGM-WBVHZDCISA-N 1 0 335.411 2.780 20 10 EFCDRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(Cl)cc1O ZINC001591145352 1093671489 /nfs/dbraw/zinc/67/14/89/1093671489.db2.gz FCNRWIJUFGMCCB-UHFFFAOYSA-N 1 0 329.791 2.858 20 10 EFCDRO COc1cc(C[NH2+][C@H](C)c2cc(C)ccc2O)ccc1-c1nn[nH]n1 ZINC001591533987 1093755298 /nfs/dbraw/zinc/75/52/98/1093755298.db2.gz UVNYFBUFPRNNQC-GFCCVEGCSA-N 1 0 339.399 2.740 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)c(O)c1 ZINC001592135565 1093992966 /nfs/dbraw/zinc/99/29/66/1093992966.db2.gz LLPANWYEAGOKJI-MLGOLLRUSA-N 1 0 335.411 2.699 20 10 EFCDRO c1cc(C[NH2+][C@H]2CCc3cc(-c4nn[nH]n4)ccc32)cc2c1OCC2 ZINC001593565011 1094372239 /nfs/dbraw/zinc/37/22/39/1094372239.db2.gz PFKRIYZHOMMUMJ-KRWDZBQOSA-N 1 0 333.395 2.579 20 10 EFCDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc2c(cc1O)CCCC2 ZINC000782912815 1094404571 /nfs/dbraw/zinc/40/45/71/1094404571.db2.gz HXOMLYVCVFURLB-MRXNPFEDSA-N 1 0 344.499 2.956 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c1O ZINC000780893706 1094587903 /nfs/dbraw/zinc/58/79/03/1094587903.db2.gz ZDOSMRNFMYXRIB-GHMZBOCLSA-N 1 0 344.249 2.756 20 10 EFCDRO Cc1c(O)ccc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c1O ZINC001140748024 1095044159 /nfs/dbraw/zinc/04/41/59/1095044159.db2.gz ROMBMOHFEGHDBL-OAHLLOKOSA-N 1 0 333.350 2.932 20 10 EFCDRO COc1cccc(C(=O)N2CCC([NH2+]Cc3ccccc3O)CC2)c1 ZINC001167847385 1095431477 /nfs/dbraw/zinc/43/14/77/1095431477.db2.gz UIORTPSPXGGLLM-UHFFFAOYSA-N 1 0 340.423 2.795 20 10 EFCDRO C[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1cc(F)ccc1O ZINC001603731521 1096605966 /nfs/dbraw/zinc/60/59/66/1096605966.db2.gz OVQJYKOLBQBMPW-NSHDSACASA-N 1 0 327.363 2.904 20 10 EFCDRO C[C@H](c1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1cc(F)ccc1O ZINC001603731518 1096606495 /nfs/dbraw/zinc/60/64/95/1096606495.db2.gz OVQJYKOLBQBMPW-LLVKDONJSA-N 1 0 327.363 2.904 20 10 EFCDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC001604700058 1096934237 /nfs/dbraw/zinc/93/42/37/1096934237.db2.gz BBHBTUBCROGGQC-ARJAWSKDSA-N 1 0 348.454 2.778 20 10 EFCDRO C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1(C(=O)[O-])CCCCC1 ZINC001606245392 1097357595 /nfs/dbraw/zinc/35/75/95/1097357595.db2.gz FJOIFZBGFXLERS-UHFFFAOYSA-N 1 0 345.487 2.658 20 10 EFCDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)ccc1-c1nn[nH]n1 ZINC001609401191 1098289777 /nfs/dbraw/zinc/28/97/77/1098289777.db2.gz AKDNXEUIJZFOKW-UHFFFAOYSA-N 1 0 340.406 2.670 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c(O)c1 ZINC001609420279 1098305614 /nfs/dbraw/zinc/30/56/14/1098305614.db2.gz CBUZQQXFWWTXFD-LLVKDONJSA-N 1 0 327.363 2.871 20 10 EFCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001609611294 1098399862 /nfs/dbraw/zinc/39/98/62/1098399862.db2.gz VOQLHMUDPDDFOJ-UHFFFAOYSA-N 1 0 333.754 2.655 20 10 EFCDRO Cc1cc(O)c(CN2CC[C@@]23CCC[NH2+]C3)cc1Br ZINC001222203082 1098570141 /nfs/dbraw/zinc/57/01/41/1098570141.db2.gz GNZGDZIQSMGTPE-OAHLLOKOSA-N 1 0 325.250 2.791 20 10 EFCDRO O=C(c1ccc(O)c(O)c1)N1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001270037665 1098623541 /nfs/dbraw/zinc/62/35/41/1098623541.db2.gz OEAAQGDRRQMJCS-UHFFFAOYSA-N 1 0 330.428 2.578 20 10 EFCDRO Cc1cc(CN2CCC[C@]3(CC[NH2+]3)C2)c(O)cc1Br ZINC001222287756 1098729810 /nfs/dbraw/zinc/72/98/10/1098729810.db2.gz QJRFIMIRVVJEKI-HNNXBMFYSA-N 1 0 325.250 2.791 20 10 EFCDRO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(N3CCCC3=O)CC2)c1 ZINC000729469064 1099409442 /nfs/dbraw/zinc/40/94/42/1099409442.db2.gz WVVFCBZYCPCXJH-UHFFFAOYSA-N 1 0 346.471 2.982 20 10 EFCDRO C[NH2+][C@@]12CC[C@@](NC(=O)/C=C/c3ccc(N(C)C)cc3)(C1)CCC2 ZINC001270930721 1100281860 /nfs/dbraw/zinc/28/18/60/1100281860.db2.gz CPHRWYICTXFEHR-GSSTWSARSA-N 1 0 327.472 2.947 20 10 EFCDRO CC[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1CC1CC1 ZINC001087844418 1100861804 /nfs/dbraw/zinc/86/18/04/1100861804.db2.gz XWSOSIYHBJBTSJ-JKSUJKDBSA-N 1 0 343.431 2.842 20 10 EFCDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000840719046 1101404170 /nfs/dbraw/zinc/40/41/70/1101404170.db2.gz QGKOVMNOCUDCEH-MRXNPFEDSA-N 1 0 341.455 2.648 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H](C)OC)cc1C ZINC001087129559 1101497304 /nfs/dbraw/zinc/49/73/04/1101497304.db2.gz BTUFZMNLEKFUMB-HFTRVMKXSA-N 1 0 348.487 2.755 20 10 EFCDRO COc1c(Cl)ncnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167423220 1101575326 /nfs/dbraw/zinc/57/53/26/1101575326.db2.gz RKUCDKSNYAXUDC-UHFFFAOYSA-N 1 0 347.850 2.503 20 10 EFCDRO Cn1cnc2ccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)cc21 ZINC001167431294 1101616117 /nfs/dbraw/zinc/61/61/17/1101616117.db2.gz QNACHHKFFGNEJA-UHFFFAOYSA-N 1 0 335.455 2.937 20 10 EFCDRO CCc1ncc(F)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001167431391 1101616157 /nfs/dbraw/zinc/61/61/57/1101616157.db2.gz XIRLOIGXSNBELJ-UHFFFAOYSA-N 1 0 329.423 2.542 20 10 EFCDRO Cc1nc(C)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1C ZINC001167431237 1101616409 /nfs/dbraw/zinc/61/64/09/1101616409.db2.gz NUIUWFFGGFDRHX-UHFFFAOYSA-N 1 0 325.460 2.766 20 10 EFCDRO COc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(F)cn1 ZINC001167434868 1101663841 /nfs/dbraw/zinc/66/38/41/1101663841.db2.gz XCLPUAWSHZFOSZ-UHFFFAOYSA-N 1 0 330.407 2.593 20 10 EFCDRO CC[NH+](CC)[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)CC(C)C ZINC000588406531 1101927963 /nfs/dbraw/zinc/92/79/63/1101927963.db2.gz SBMMUDZGFXIXDY-YHWKNFMLSA-N 1 0 334.460 2.984 20 10 EFCDRO CC(C)[NH2+]C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001075367196 1101981590 /nfs/dbraw/zinc/98/15/90/1101981590.db2.gz OFSGGHOKZBVBIG-ZFWWWQNUSA-N 1 0 345.447 2.945 20 10 EFCDRO Oc1cccc(Br)c1CN1CCC([NH+]2CCC2)CC1 ZINC001140102024 1102131630 /nfs/dbraw/zinc/13/16/30/1102131630.db2.gz HYLOTIBQFMAFHF-UHFFFAOYSA-N 1 0 325.250 2.825 20 10 EFCDRO C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1c(O)cccc1Br)C2 ZINC001140103939 1102135362 /nfs/dbraw/zinc/13/53/62/1102135362.db2.gz VBRCFWZDKDEWHC-IAQYHMDHSA-N 1 0 325.250 2.538 20 10 EFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H]2CNC(=O)C2)cc1 ZINC000840954424 1102550767 /nfs/dbraw/zinc/55/07/67/1102550767.db2.gz DXBVMARYOXESFR-IBGZPJMESA-N 1 0 337.467 2.939 20 10 EFCDRO COc1cc(F)c(N(Cc2ccccc2)C2(C[NH3+])COC2)c(OC)c1 ZINC001167374657 1102915959 /nfs/dbraw/zinc/91/59/59/1102915959.db2.gz QESQOECCTWNVQK-UHFFFAOYSA-N 1 0 346.402 2.577 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@H](O)c2ccc(F)cc2)N(C)C)cc1 ZINC000905704280 1103512733 /nfs/dbraw/zinc/51/27/33/1103512733.db2.gz MTIWINVUFWCHBA-UXHICEINSA-N 1 0 345.462 2.818 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]C[C@H](O)Cc2ccccc2)N(C)C)cc1 ZINC000905703711 1103512822 /nfs/dbraw/zinc/51/28/22/1103512822.db2.gz JGGKZSNSLKWFAB-RTWAWAEBSA-N 1 0 341.499 2.549 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@H](O)Cc2ccccc2)N(C)C)cc1 ZINC000905703708 1103513742 /nfs/dbraw/zinc/51/37/42/1103513742.db2.gz JGGKZSNSLKWFAB-NHCUHLMSSA-N 1 0 341.499 2.549 20 10 EFCDRO COc1cc(C)cc(C[NH+]2CCC(Cc3noc(C)n3)CC2)c1O ZINC000905735513 1103570029 /nfs/dbraw/zinc/57/00/29/1103570029.db2.gz UJZPGBYFJUFJGN-UHFFFAOYSA-N 1 0 331.416 2.855 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCCCC[C@@H]([NH2+]CCF)C2)cc1 ZINC001088431800 1103590545 /nfs/dbraw/zinc/59/05/45/1103590545.db2.gz GBRLQDKVGZQLHU-OAHLLOKOSA-N 1 0 349.410 2.793 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C[C@@H](C)OC)C[C@H]2C)cc1C ZINC001105919704 1104325257 /nfs/dbraw/zinc/32/52/57/1104325257.db2.gz PQSKBGALAZRTFP-JFIYKMOQSA-N 1 0 348.487 2.613 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000841719256 1104744750 /nfs/dbraw/zinc/74/47/50/1104744750.db2.gz HFFUQECFOKFXSE-MAUKXSAKSA-N 1 0 332.492 2.944 20 10 EFCDRO C[C@H]1CN(CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000729683021 1104770960 /nfs/dbraw/zinc/77/09/60/1104770960.db2.gz PRDSZUIWGPSBMN-INIZCTEOSA-N 1 0 326.440 2.870 20 10 EFCDRO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000729681215 1104772764 /nfs/dbraw/zinc/77/27/64/1104772764.db2.gz XQTUABUKKJNEDU-MRXNPFEDSA-N 1 0 326.440 2.950 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3ccn(C)c3)C2)cc1C ZINC000988618224 1104876083 /nfs/dbraw/zinc/87/60/83/1104876083.db2.gz DLCVNPNBSQHQFN-QAPCUYQASA-N 1 0 341.455 2.735 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3coc(C)n3)C2)cc1C ZINC000988690656 1105020702 /nfs/dbraw/zinc/02/07/02/1105020702.db2.gz GELJCJCITKFCMG-BBRMVZONSA-N 1 0 343.427 2.693 20 10 EFCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000054511770 1105212970 /nfs/dbraw/zinc/21/29/70/1105212970.db2.gz XWXGFXLVVLQPDB-SFHVURJKSA-N 1 0 344.503 2.818 20 10 EFCDRO CCCN(C(=O)NCc1ccc(N(C)C)cc1C)C1CC[NH2+]CC1 ZINC000841828284 1105224151 /nfs/dbraw/zinc/22/41/51/1105224151.db2.gz RSLVQQBTMYFKDJ-UHFFFAOYSA-N 1 0 332.492 2.735 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3cc[nH]c3)C2)cc1C ZINC000988853671 1105336688 /nfs/dbraw/zinc/33/66/88/1105336688.db2.gz GVGGYJQNHNSTQF-WMLDXEAASA-N 1 0 327.428 2.725 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3ccsn3)C2)cc1C ZINC000989030419 1105446047 /nfs/dbraw/zinc/44/60/47/1105446047.db2.gz RKALJFQIHUCYKL-UKRRQHHQSA-N 1 0 345.468 2.853 20 10 EFCDRO [NH3+]C[C@@H](NC(=O)N(Cc1ccccc1O)C1CCCCC1)C1CC1 ZINC000841945717 1106026220 /nfs/dbraw/zinc/02/62/20/1106026220.db2.gz VALUJRSRGVWLBW-QGZVFWFLSA-N 1 0 331.460 2.974 20 10 EFCDRO Nc1ccc(CCNC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000841955613 1106041726 /nfs/dbraw/zinc/04/17/26/1106041726.db2.gz HZRPXUBWHOOFHS-GOSISDBHSA-N 1 0 326.444 2.591 20 10 EFCDRO C[C@H](C[NH3+])CNC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000841963256 1106053673 /nfs/dbraw/zinc/05/36/73/1106053673.db2.gz QEZDVJBYEHHRNR-OAHLLOKOSA-N 1 0 344.459 2.652 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000841970551 1106070187 /nfs/dbraw/zinc/07/01/87/1106070187.db2.gz NMJXKQQCAIVLPD-IBGZPJMESA-N 1 0 332.492 2.674 20 10 EFCDRO COc1ccc(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)c(O)c1 ZINC000841995327 1106137977 /nfs/dbraw/zinc/13/79/77/1106137977.db2.gz GTOCRGOAELSGIE-QGZVFWFLSA-N 1 0 343.427 2.680 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000842007269 1106157091 /nfs/dbraw/zinc/15/70/91/1106157091.db2.gz XQTHJIDYYWRDTQ-KRWDZBQOSA-N 1 0 332.492 2.816 20 10 EFCDRO O=C(NCCC[C@@H]1CCC[NH2+]1)NCc1c(O)ccc2c1CCCC2 ZINC000842005451 1106167301 /nfs/dbraw/zinc/16/73/01/1106167301.db2.gz POSXJQCEHOSBIH-HNNXBMFYSA-N 1 0 331.460 2.602 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3ccc4nonc4c3)CC2)cc1 ZINC000897991133 1106190278 /nfs/dbraw/zinc/19/02/78/1106190278.db2.gz JUPJUKNENOVJEO-UHFFFAOYSA-N 1 0 338.411 2.990 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H](O)C2CC2)ccc1N1CCCCC1 ZINC000898206726 1106262660 /nfs/dbraw/zinc/26/26/60/1106262660.db2.gz UHUDIZCXONGKPP-GOSISDBHSA-N 1 0 333.432 2.836 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H](O)C2CC2)ccc1N1CCCCC1 ZINC000898206727 1106262792 /nfs/dbraw/zinc/26/27/92/1106262792.db2.gz UHUDIZCXONGKPP-SFHVURJKSA-N 1 0 333.432 2.836 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3nocc3C)C2)cc1C ZINC000989654864 1106513894 /nfs/dbraw/zinc/51/38/94/1106513894.db2.gz YATGULQNJZVFIX-GOEBONIOSA-N 1 0 343.427 2.693 20 10 EFCDRO C[C@H]1C[C@@H]([NH2+]CCC2CC2)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000989839478 1106695432 /nfs/dbraw/zinc/69/54/32/1106695432.db2.gz ZNYFMVFXRQAXSJ-BLLLJJGKSA-N 1 0 343.431 2.842 20 10 EFCDRO CC(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000989838751 1106696074 /nfs/dbraw/zinc/69/60/74/1106696074.db2.gz OJTLQNCXGXFGSE-SWLSCSKDSA-N 1 0 331.420 2.698 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2C(C)(C)O)cc1Br ZINC001233142296 1107658684 /nfs/dbraw/zinc/65/86/84/1107658684.db2.gz QFKWNMLZBIIECK-CQSZACIVSA-N 1 0 344.249 2.899 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]23CCOC3)cc1Br ZINC001233142520 1107660434 /nfs/dbraw/zinc/66/04/34/1107660434.db2.gz TUZVKIKAODFFGV-HNNXBMFYSA-N 1 0 342.233 2.918 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(N)cc2)[NH+](C)C)cc1 ZINC000904499542 1107994548 /nfs/dbraw/zinc/99/45/48/1107994548.db2.gz GFFBQMKABKBIEW-SFHVURJKSA-N 1 0 341.459 2.759 20 10 EFCDRO O=C1N(C2CCCC2)CCC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001272385540 1108147242 /nfs/dbraw/zinc/14/72/42/1108147242.db2.gz BTCJMSGWAOGVPJ-UHFFFAOYSA-N 1 0 344.455 2.855 20 10 EFCDRO CN1c2ccccc2C2(CC[NH+](Cc3cc(O)ccc3O)CC2)C1=O ZINC001272386210 1108149205 /nfs/dbraw/zinc/14/92/05/1108149205.db2.gz CGYAZFNAXUIKTA-UHFFFAOYSA-N 1 0 338.407 2.608 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1ccc(N(C)C)cc1 ZINC001272414845 1108225546 /nfs/dbraw/zinc/22/55/46/1108225546.db2.gz JZBGWOMWWKZWAK-RTBURBONSA-N 1 0 329.488 2.974 20 10 EFCDRO CC[N@@H+]1CCC[C@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)CC1 ZINC001272444723 1108331377 /nfs/dbraw/zinc/33/13/77/1108331377.db2.gz FESGUJYZXRQOGL-HXUWFJFHSA-N 1 0 329.488 2.977 20 10 EFCDRO CN(C)c1ccc(CN2CC[C@]3(CC[N@H+](CC4CC4)C3)C2=O)cc1 ZINC001272489451 1108502489 /nfs/dbraw/zinc/50/24/89/1108502489.db2.gz DFQVJFGDYDCJTN-FQEVSTJZSA-N 1 0 327.472 2.587 20 10 EFCDRO CN(C)c1ccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3CC2CC2)cc1 ZINC001272491139 1108518132 /nfs/dbraw/zinc/51/81/32/1108518132.db2.gz PWRQHLSDWFYMHZ-RTBURBONSA-N 1 0 327.472 2.728 20 10 EFCDRO CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000924715744 1108839941 /nfs/dbraw/zinc/83/99/41/1108839941.db2.gz MNHBVVPVZHVONE-KMCQBPLKSA-N 1 0 336.451 2.954 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1Cc2ccccc2[C@@H]1O ZINC000898385748 1108909175 /nfs/dbraw/zinc/90/91/75/1108909175.db2.gz OSNZBDUKQPICRL-HOCLYGCPSA-N 1 0 334.213 2.903 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cccc(F)c2N)N(C)C)cc1 ZINC000898448886 1108942850 /nfs/dbraw/zinc/94/28/50/1108942850.db2.gz YWCYRKRZJCXGQJ-GOSISDBHSA-N 1 0 330.451 2.866 20 10 EFCDRO C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(=O)OC(C)(C)C ZINC000898448783 1108943216 /nfs/dbraw/zinc/94/32/16/1108943216.db2.gz XDHWTHYXVSPHNI-PBHICJAKSA-N 1 0 335.492 2.675 20 10 EFCDRO COc1cccc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000898450077 1108944031 /nfs/dbraw/zinc/94/40/31/1108944031.db2.gz MUWAFWXOGSMNDY-SFHVURJKSA-N 1 0 328.460 2.549 20 10 EFCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449891 1108944102 /nfs/dbraw/zinc/94/41/02/1108944102.db2.gz LGDLZCPWOLAHCE-APWZRJJASA-N 1 0 348.535 2.592 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cnn3ccccc23)N(C)C)cc1 ZINC000898450332 1108944287 /nfs/dbraw/zinc/94/42/87/1108944287.db2.gz ARBGGWXTVITTIF-HXUWFJFHSA-N 1 0 337.471 2.793 20 10 EFCDRO C[C@H](CCn1cccn1)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898451358 1108945125 /nfs/dbraw/zinc/94/51/25/1108945125.db2.gz YDOBKMKJRROXAJ-APWZRJJASA-N 1 0 329.492 2.620 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccc(Cl)nn2)N(C)C)cc1 ZINC000898447388 1108949680 /nfs/dbraw/zinc/94/96/80/1108949680.db2.gz JBCJGRLSGRLNNR-MRXNPFEDSA-N 1 0 333.867 2.589 20 10 EFCDRO Cc1cccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c1O ZINC000898724629 1109065940 /nfs/dbraw/zinc/06/59/40/1109065940.db2.gz OWPKYPDGEJJMOE-LBPRGKRZSA-N 1 0 336.233 2.764 20 10 EFCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1 ZINC000898723619 1109066119 /nfs/dbraw/zinc/06/61/19/1109066119.db2.gz GXVVPZCQNVGGTB-GFCCVEGCSA-N 1 0 336.233 2.764 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)cc1 ZINC000898726360 1109066826 /nfs/dbraw/zinc/06/68/26/1109066826.db2.gz HPIRYSMNRVILCE-CYBMUJFWSA-N 1 0 349.276 2.816 20 10 EFCDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000842226401 1109200264 /nfs/dbraw/zinc/20/02/64/1109200264.db2.gz NZARTLOFNFIASH-RTBURBONSA-N 1 0 348.512 2.996 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCC(C)(C)C2)[NH+](C)C)cc1 ZINC000899102246 1109202352 /nfs/dbraw/zinc/20/23/52/1109202352.db2.gz OTYLTJZCZJEIMK-QGZVFWFLSA-N 1 0 332.492 2.797 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC2(C)CC=CC2)[NH+](C)C)cc1 ZINC000899099168 1109206852 /nfs/dbraw/zinc/20/68/52/1109206852.db2.gz WGNCLTWWSUWAQX-QGZVFWFLSA-N 1 0 330.476 2.763 20 10 EFCDRO C[C@H](C1CC1)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100841 1109208514 /nfs/dbraw/zinc/20/85/14/1109208514.db2.gz FDABQIXDZQHYSW-RDTXWAMCSA-N 1 0 332.492 2.795 20 10 EFCDRO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000153170282 1111156526 /nfs/dbraw/zinc/15/65/26/1111156526.db2.gz KUZFPFYWBLXPCL-UHFFFAOYSA-N 1 0 347.503 2.507 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000176622960 1111733988 /nfs/dbraw/zinc/73/39/88/1111733988.db2.gz KQCMLPAOBSYSGL-IHRRRGAJSA-N 1 0 335.448 2.634 20 10 EFCDRO O=C1N(CCC(F)(F)F)CC[C@@]12CCC[N@H+]2Cc1ccccc1O ZINC001272618446 1111752732 /nfs/dbraw/zinc/75/27/32/1111752732.db2.gz IEFIDIGFPGVUEM-INIZCTEOSA-N 1 0 342.361 2.912 20 10 EFCDRO O=C(NCC(F)(F)F)[C@H]1CC12CC[NH+](Cc1ccccc1O)CC2 ZINC001272618915 1111754505 /nfs/dbraw/zinc/75/45/05/1111754505.db2.gz PVZJHRDGXQFBMQ-CYBMUJFWSA-N 1 0 342.361 2.673 20 10 EFCDRO CC[C@H](C)N1CC[C@]2(CC[N@H+](Cc3cccc(OC)c3O)C2)C1=O ZINC001272622463 1111759460 /nfs/dbraw/zinc/75/94/60/1111759460.db2.gz KMIKCJCKQWXMOB-LIRRHRJNSA-N 1 0 332.444 2.624 20 10 EFCDRO CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(C)ccc3O)C2)C1=O ZINC001272622370 1111759908 /nfs/dbraw/zinc/75/99/08/1111759908.db2.gz GUKPTRTUEKASJM-MGPUTAFESA-N 1 0 344.455 2.840 20 10 EFCDRO COc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC(C)C)CC2)c1O ZINC001272624811 1111764650 /nfs/dbraw/zinc/76/46/50/1111764650.db2.gz DFPHZPGWTAIPIX-MRXNPFEDSA-N 1 0 346.471 2.775 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@]23CCN(CC=C(C)C)C3=O)c1O ZINC001272625091 1111765221 /nfs/dbraw/zinc/76/52/21/1111765221.db2.gz HKYUFLVADYAFDL-HXUWFJFHSA-N 1 0 344.455 2.934 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(CCN(C4CCCC4)C3=O)C2)c1 ZINC001272636084 1111785123 /nfs/dbraw/zinc/78/51/23/1111785123.db2.gz BBHXRNCDJQKIPY-FQEVSTJZSA-N 1 0 344.455 2.768 20 10 EFCDRO CC(C)=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(O)c(C)c2O)C1=O ZINC001272657555 1111931786 /nfs/dbraw/zinc/93/17/86/1111931786.db2.gz GYPIZZLLQPAGLQ-HXUWFJFHSA-N 1 0 344.455 2.939 20 10 EFCDRO CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(O)c(C)c1O ZINC001272660099 1111951046 /nfs/dbraw/zinc/95/10/46/1111951046.db2.gz JTHQOZKDBLTBSV-HZPDHXFCSA-N 1 0 332.444 2.772 20 10 EFCDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(OC)nc(OC)c2)CC(C)(C)C1 ZINC001089430295 1112124027 /nfs/dbraw/zinc/12/40/27/1112124027.db2.gz KCVHNXRKYUSPRW-HNNXBMFYSA-N 1 0 349.475 2.729 20 10 EFCDRO CN(Cc1cc(F)cc(Br)c1[O-])[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216694 1112276740 /nfs/dbraw/zinc/27/67/40/1112276740.db2.gz LRDFGJBQTZMHIV-QWHCGFSZSA-N 1 0 331.229 2.996 20 10 EFCDRO CN(Cc1cc(F)cc(Br)c1[O-])[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216692 1112277157 /nfs/dbraw/zinc/27/71/57/1112277157.db2.gz LRDFGJBQTZMHIV-CHWSQXEVSA-N 1 0 331.229 2.996 20 10 EFCDRO CO[C@@H]1CC[N@H+](Cc2cc(O)c(Br)cc2O)[C@@H](C)C1 ZINC001236763811 1117924929 /nfs/dbraw/zinc/92/49/29/1117924929.db2.gz CMRVSUQTCFLCST-GXSJLCMTSA-N 1 0 330.222 2.860 20 10 EFCDRO CCN(CCC[NH+](C)C)Cc1cc(O)c(Br)cc1O ZINC001236762197 1117929722 /nfs/dbraw/zinc/92/97/22/1117929722.db2.gz MJBXLEKTRNBXRK-UHFFFAOYSA-N 1 0 331.254 2.634 20 10 EFCDRO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1ccc(N(C)C)cc1 ZINC001272699299 1118278768 /nfs/dbraw/zinc/27/87/68/1118278768.db2.gz GBFANGJASQSWBZ-MCYKXBRJSA-N 1 0 341.499 2.974 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CN[C@H](C)c3nccn3C)cc2F)CC1 ZINC000182885771 1118670067 /nfs/dbraw/zinc/67/00/67/1118670067.db2.gz PWNPWFLDAWTLHD-OAHLLOKOSA-N 1 0 345.466 2.552 20 10 EFCDRO CCN(Cc1cc(OC)ccc1O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000183509975 1118744068 /nfs/dbraw/zinc/74/40/68/1118744068.db2.gz ZUYMJHULPAXNHY-UHFFFAOYSA-N 1 0 339.395 2.659 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C(F)F)CC2(C)C)cc1C ZINC000995307900 1119247103 /nfs/dbraw/zinc/24/71/03/1119247103.db2.gz FZGPRMRCFJIQNZ-AWEZNQCLSA-N 1 0 326.387 2.595 20 10 EFCDRO C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1O ZINC000185298429 1119979202 /nfs/dbraw/zinc/97/92/02/1119979202.db2.gz REEUSMYDJCGIPT-CQSZACIVSA-N 1 0 346.452 2.783 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3ccon3)CC2(C)C)cc1C ZINC000995510487 1120212014 /nfs/dbraw/zinc/21/20/14/1120212014.db2.gz UUEIBASINNABHE-KRWDZBQOSA-N 1 0 343.427 2.632 20 10 EFCDRO CC[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCS1 ZINC000174356361 529385435 /nfs/dbraw/zinc/38/54/35/529385435.db2.gz MZIKREVRNSBHKJ-QGZVFWFLSA-N 1 0 335.517 2.538 20 10 EFCDRO CC[C@H]([NH2+]CCCOCCO)c1cc(Br)ccc1O ZINC000157923143 529599523 /nfs/dbraw/zinc/59/95/23/529599523.db2.gz NNJKTVZJDMNYMD-ZDUSSCGKSA-N 1 0 332.238 2.594 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000176636951 529780056 /nfs/dbraw/zinc/78/00/56/529780056.db2.gz DVQHDCNPXDKUQA-AEFFLSMTSA-N 1 0 332.492 2.767 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1F ZINC000176037244 529782030 /nfs/dbraw/zinc/78/20/30/529782030.db2.gz VUMNWMOZNPKNPQ-LSDHHAIUSA-N 1 0 336.455 2.564 20 10 EFCDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000159029265 529988350 /nfs/dbraw/zinc/98/83/50/529988350.db2.gz BROAKIXZGKUPJK-INIZCTEOSA-N 1 0 326.444 2.561 20 10 EFCDRO CCC[NH2+][C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000296371223 283394711 /nfs/dbraw/zinc/39/47/11/283394711.db2.gz JYIARCAAUZMIOO-QFBILLFUSA-N 1 0 347.503 2.648 20 10 EFCDRO CCOc1ccc(O)c(C[NH+]2CCN(c3ccccc3O)CC2)c1 ZINC000158552796 239012571 /nfs/dbraw/zinc/01/25/71/239012571.db2.gz KTWWMLNGJQELEX-UHFFFAOYSA-N 1 0 328.412 2.819 20 10 EFCDRO O=C(NCc1ccc(O)c(O)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159058607 239019501 /nfs/dbraw/zinc/01/95/01/239019501.db2.gz BSEZZWBGWNOVTL-KRWDZBQOSA-N 1 0 340.423 2.626 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)cc1OC ZINC000160363795 239049646 /nfs/dbraw/zinc/04/96/46/239049646.db2.gz IOSYKRPLDBZYLW-DEOSSOPVSA-N 1 0 349.452 2.779 20 10 EFCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000172935504 239176610 /nfs/dbraw/zinc/17/66/10/239176610.db2.gz JLNPPQCQTQDAJL-INIZCTEOSA-N 1 0 326.440 2.700 20 10 EFCDRO O=C(NCc1c(O)ccc2c1CCCC2)NC1CC[NH+](C2CC2)CC1 ZINC000174792020 239243836 /nfs/dbraw/zinc/24/38/36/239243836.db2.gz TVFGUZCWEQSSHI-UHFFFAOYSA-N 1 0 343.471 2.697 20 10 EFCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1C ZINC000174274754 239225758 /nfs/dbraw/zinc/22/57/58/239225758.db2.gz FWEGCDWHHFUELT-UHFFFAOYSA-N 1 0 348.468 2.549 20 10 EFCDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000176301540 239308762 /nfs/dbraw/zinc/30/87/62/239308762.db2.gz XHAMKSKGRHQDRU-MJGOQNOKSA-N 1 0 342.487 2.735 20 10 EFCDRO Cc1cc(C(=O)N2CCC([C@H](C)[NH3+])CC2)c(C)n1-c1ccccn1 ZINC000178848282 239443131 /nfs/dbraw/zinc/44/31/31/239443131.db2.gz ZCIMSNJKPQDIDN-AWEZNQCLSA-N 1 0 326.444 2.689 20 10 EFCDRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(N(C)C)cc3)C2=O)cc1 ZINC000191799197 240006382 /nfs/dbraw/zinc/00/63/82/240006382.db2.gz XCTZOYJCKNZGLO-FQEVSTJZSA-N 1 0 337.467 2.952 20 10 EFCDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cccc(O)c1O ZINC000192985265 240078895 /nfs/dbraw/zinc/07/88/95/240078895.db2.gz AQLUIXQLJKCNTA-UHFFFAOYSA-N 1 0 340.423 2.535 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000193503694 240110789 /nfs/dbraw/zinc/11/07/89/240110789.db2.gz NKBUCKFWAMDGSY-SFHVURJKSA-N 1 0 347.484 2.641 20 10 EFCDRO Cc1cc(C(=O)NCC[NH3+])c(C)n1-c1ccccc1Br ZINC000237590030 240246099 /nfs/dbraw/zinc/24/60/99/240246099.db2.gz QCHROZXUMRGQDK-UHFFFAOYSA-N 1 0 336.233 2.545 20 10 EFCDRO Nc1ccc(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000237925291 240248520 /nfs/dbraw/zinc/24/85/20/240248520.db2.gz DQCPENLRHBTVOF-UHFFFAOYSA-N 1 0 341.480 2.999 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)CCC[NH2+]C ZINC000236915956 240235697 /nfs/dbraw/zinc/23/56/97/240235697.db2.gz XTZBPJURQYEVLQ-UHFFFAOYSA-N 1 0 329.238 2.503 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000275700115 240757367 /nfs/dbraw/zinc/75/73/67/240757367.db2.gz XIYDJIMOXVKFIG-UHFFFAOYSA-N 1 0 332.492 2.768 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1O ZINC000278910561 240829828 /nfs/dbraw/zinc/82/98/28/240829828.db2.gz VRWLJMQTKNGSNR-RWSFTLGLSA-N 1 0 344.249 2.654 20 10 EFCDRO COc1cccc(C[NH2+]CCCn2cc(Br)cn2)c1O ZINC000288387610 241008914 /nfs/dbraw/zinc/00/89/14/241008914.db2.gz GPRNJMOIIXFNDO-UHFFFAOYSA-N 1 0 340.221 2.540 20 10 EFCDRO COc1ccc(C[C@](C)(O)C[NH2+]Cc2cccc(C)c2O)cc1OC ZINC000290761835 241019165 /nfs/dbraw/zinc/01/91/65/241019165.db2.gz BOEILWDEWQHHQB-FQEVSTJZSA-N 1 0 345.439 2.801 20 10 EFCDRO COC[C@]1(C[NH2+]Cc2cc(OC)ccc2O)OCCc2ccccc21 ZINC000291656396 241027094 /nfs/dbraw/zinc/02/70/94/241027094.db2.gz VADXINIZVGZDLY-FQEVSTJZSA-N 1 0 343.423 2.605 20 10 EFCDRO C[C@H]([NH2+]CCN1CCC(O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000295982529 241069011 /nfs/dbraw/zinc/06/90/11/241069011.db2.gz OVXBDCPDCAEZPW-INIZCTEOSA-N 1 0 349.494 2.923 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC000296121987 241075257 /nfs/dbraw/zinc/07/52/57/241075257.db2.gz CAHJMNNVMWZWRE-UHFFFAOYSA-N 1 0 332.492 2.818 20 10 EFCDRO COCC1CCC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000296620726 241093097 /nfs/dbraw/zinc/09/30/97/241093097.db2.gz ZZOXPASWUWOSEN-UHFFFAOYSA-N 1 0 336.451 2.957 20 10 EFCDRO O=C1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CN1c1ccccc1F ZINC000296636133 241093229 /nfs/dbraw/zinc/09/32/29/241093229.db2.gz BRCZMSYEGRUILJ-ZFWWWQNUSA-N 1 0 326.371 2.914 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1cc2c(cc1O)CCCC2 ZINC000297321053 241117664 /nfs/dbraw/zinc/11/76/64/241117664.db2.gz NIHCUEWZVVATJO-CRAIPNDOSA-N 1 0 332.488 2.768 20 10 EFCDRO C[C@H]1CN(c2ccc(C[NH2+][C@H]3CCc4cccc(O)c43)cn2)CCO1 ZINC000295872368 241063928 /nfs/dbraw/zinc/06/39/28/241063928.db2.gz HEXMUFRCAIYTOG-YOEHRIQHSA-N 1 0 339.439 2.789 20 10 EFCDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)n1-c1ccccn1 ZINC000299022342 241164265 /nfs/dbraw/zinc/16/42/65/241164265.db2.gz MDGRMMZBEIEXAV-MSOLQXFVSA-N 1 0 338.455 2.846 20 10 EFCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)CC2 ZINC000297473576 241122196 /nfs/dbraw/zinc/12/21/96/241122196.db2.gz YSOHPKMGAQHQRM-RHSMWYFYSA-N 1 0 340.423 2.980 20 10 EFCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)CC2 ZINC000297473579 241122933 /nfs/dbraw/zinc/12/29/33/241122933.db2.gz YSOHPKMGAQHQRM-WMLDXEAASA-N 1 0 340.423 2.980 20 10 EFCDRO CC[N@H+](CCc1cncn1C)Cc1cc(Br)ccc1O ZINC000297865979 241134990 /nfs/dbraw/zinc/13/49/90/241134990.db2.gz PMOZEHSEZGVHRG-UHFFFAOYSA-N 1 0 338.249 2.953 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc(N(C)C)cc1 ZINC000324288010 241206668 /nfs/dbraw/zinc/20/66/68/241206668.db2.gz MPLZNJKHRDVFPQ-KBXCAEBGSA-N 1 0 328.460 2.670 20 10 EFCDRO Cc1cc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c(C)n1-c1ccccn1 ZINC000363036903 242270993 /nfs/dbraw/zinc/27/09/93/242270993.db2.gz SYEXVZAZWLBFHH-KRWDZBQOSA-N 1 0 338.455 2.799 20 10 EFCDRO CC(C)OCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000363713147 242279433 /nfs/dbraw/zinc/27/94/33/242279433.db2.gz DMYVREZMABTQMK-OAHLLOKOSA-N 1 0 340.851 2.551 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)c(O)c1C ZINC000363860435 242283204 /nfs/dbraw/zinc/28/32/04/242283204.db2.gz URJSCYDVROZVIR-YOEHRIQHSA-N 1 0 329.444 2.926 20 10 EFCDRO COC[C@@]1(C[NH2+]Cc2cc(F)ccc2O)OCCc2ccccc21 ZINC000365659419 242329966 /nfs/dbraw/zinc/32/99/66/242329966.db2.gz MSKUGIWDTKSSIS-LJQANCHMSA-N 1 0 331.387 2.736 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000365818477 242336386 /nfs/dbraw/zinc/33/63/86/242336386.db2.gz FDQAOKYPIDOPPT-UHFFFAOYSA-N 1 0 329.404 2.694 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1O ZINC000365992994 242339888 /nfs/dbraw/zinc/33/98/88/242339888.db2.gz GWPPLUFVRMTTPV-UHFFFAOYSA-N 1 0 346.387 2.733 20 10 EFCDRO COc1ccc(O)c(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c1 ZINC000364262903 242292406 /nfs/dbraw/zinc/29/24/06/242292406.db2.gz NFZUENAMYLGPJQ-HNNXBMFYSA-N 1 0 327.384 2.539 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1O ZINC000367659754 242387702 /nfs/dbraw/zinc/38/77/02/242387702.db2.gz WUNQIXOBTJYHLS-GUYCJALGSA-N 1 0 335.787 2.638 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H]([NH3+])C3)c2C)cc1 ZINC000158310216 533209613 /nfs/dbraw/zinc/20/96/13/533209613.db2.gz KTQPIWSCTQRYFU-OAHLLOKOSA-N 1 0 327.428 2.666 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N(C)[C@H]3CC[NH2+]C3)c2C)cc1 ZINC000179099237 533210020 /nfs/dbraw/zinc/21/00/20/533210020.db2.gz JHUDUFJZFNSMBW-INIZCTEOSA-N 1 0 327.428 2.537 20 10 EFCDRO CC[C@H]([NH2+][C@H](C)C[S@](C)=O)c1cc(Br)ccc1O ZINC000119174685 221258856 /nfs/dbraw/zinc/25/88/56/221258856.db2.gz BSYXDILSKIPLNI-RJVCPDIVSA-N 1 0 334.279 2.962 20 10 EFCDRO C[C@@H]([NH2+]CCCc1cnn(C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158372808 533390314 /nfs/dbraw/zinc/39/03/14/533390314.db2.gz CYFYIMBAXPGMGG-OAHLLOKOSA-N 1 0 346.450 2.679 20 10 EFCDRO COc1cccc(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1O ZINC000173841207 533497192 /nfs/dbraw/zinc/49/71/92/533497192.db2.gz ZPOFULMMIXBDFP-INIZCTEOSA-N 1 0 349.475 2.711 20 10 EFCDRO COc1cccc(CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1O ZINC000175015878 533499838 /nfs/dbraw/zinc/49/98/38/533499838.db2.gz KROMZLZULRJRQB-HNNXBMFYSA-N 1 0 337.464 2.566 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cnn(C)c1 ZINC000163944500 533503108 /nfs/dbraw/zinc/50/31/08/533503108.db2.gz JQRKEGUUPPKJIC-UONOGXRCSA-N 1 0 332.423 2.808 20 10 EFCDRO COc1cc([N+](=O)[O-])c(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1OC ZINC000286457487 286248746 /nfs/dbraw/zinc/24/87/46/286248746.db2.gz UQVQZILQUJCSSJ-QWHCGFSZSA-N 1 0 335.404 2.675 20 10 EFCDRO COc1ccc(OC)c([C@H](O)C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000113318488 544568920 /nfs/dbraw/zinc/56/89/20/544568920.db2.gz GQAYGSRWIIOZCS-MRXNPFEDSA-N 1 0 337.803 2.886 20 10 EFCDRO Cc1ccc([C@H](C[NH2+]Cc2cc(C)ccc2O)N2CCOCC2)o1 ZINC000113316474 544569086 /nfs/dbraw/zinc/56/90/86/544569086.db2.gz QAXHRNBGDMLWBQ-KRWDZBQOSA-N 1 0 330.428 2.765 20 10 EFCDRO Cc1cc(O)c(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1C ZINC000295997277 274720534 /nfs/dbraw/zinc/72/05/34/274720534.db2.gz LJTNCEGWVLTXMY-UHFFFAOYSA-N 1 0 342.399 2.634 20 10 EFCDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000157091043 275704512 /nfs/dbraw/zinc/70/45/12/275704512.db2.gz JACAPCNDYOUWFT-IBGZPJMESA-N 1 0 347.503 2.504 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCOC[C@H](C)C2)c1O ZINC000370187092 277367133 /nfs/dbraw/zinc/36/71/33/277367133.db2.gz VUEHXEPCHZPQJE-SNVBAGLBSA-N 1 0 330.222 2.632 20 10 EFCDRO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1=O ZINC000186102305 278054241 /nfs/dbraw/zinc/05/42/41/278054241.db2.gz VDUCJHXEGKRMFF-IUODEOHRSA-N 1 0 344.386 2.996 20 10 EFCDRO CC[C@H]([NH2+][C@H](C)c1ccc2ccccc2c1O)C(=O)N1CCOCC1 ZINC000185665090 280969028 /nfs/dbraw/zinc/96/90/28/280969028.db2.gz QDRBYWMXNUBDTN-KDOFPFPSSA-N 1 0 342.439 2.833 20 10 EFCDRO C[C@H]([NH2+][C@H](Cc1ccccc1)CN1CCOCC1)c1ccccc1O ZINC000183508453 290037696 /nfs/dbraw/zinc/03/76/96/290037696.db2.gz RDQHBKJVJZNTIY-PKOBYXMFSA-N 1 0 340.467 2.986 20 10 EFCDRO COc1cc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCCC3)C2)cc1OC ZINC000301937892 295026729 /nfs/dbraw/zinc/02/67/29/295026729.db2.gz SFPIYUJTKJGJFD-CYBMUJFWSA-N 1 0 335.404 2.677 20 10 EFCDRO Cc1cc(Cl)cc(C[NH2+][C@]2(CO)COc3ccccc3C2)c1O ZINC000529642171 316937557 /nfs/dbraw/zinc/93/75/57/316937557.db2.gz GBPIUBUXBAFKGT-GOSISDBHSA-N 1 0 333.815 2.810 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CC2(N3CCCCC3)CCOCC2)cc1 ZINC000111403648 473210722 /nfs/dbraw/zinc/21/07/22/473210722.db2.gz YDRRKDIPVCVMAZ-UHFFFAOYSA-N 1 0 331.504 2.877 20 10 EFCDRO c1cnc(N2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)nc1 ZINC000112142983 473243010 /nfs/dbraw/zinc/24/30/10/473243010.db2.gz IPGIVGGTYDYPML-UHFFFAOYSA-N 1 0 337.471 2.789 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(=O)c3ccoc3)CC2)c1 ZINC000184979651 473290110 /nfs/dbraw/zinc/29/01/10/473290110.db2.gz QHSOTNXLHDODGX-ZDUSSCGKSA-N 1 0 344.411 2.949 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c(O)c1 ZINC000184992259 473295195 /nfs/dbraw/zinc/29/51/95/473295195.db2.gz QXITWZQGZHGGRY-VQIMIIECSA-N 1 0 340.467 2.770 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1 ZINC000185140564 473340283 /nfs/dbraw/zinc/34/02/83/473340283.db2.gz HIADCLPWKMNVJM-CRAIPNDOSA-N 1 0 336.501 2.559 20 10 EFCDRO Cn1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 ZINC000113359175 473387873 /nfs/dbraw/zinc/38/78/73/473387873.db2.gz GTSUIPCKRGIVNG-INIZCTEOSA-N 1 0 334.851 2.533 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000349606756 475979244 /nfs/dbraw/zinc/97/92/44/475979244.db2.gz BPIGDOKDWJFFDN-GUYCJALGSA-N 1 0 340.471 2.769 20 10 EFCDRO COc1ccc(N2CC[NH+](CC[C@@H](O)c3ccccc3)CC2)cc1 ZINC000013861714 471845980 /nfs/dbraw/zinc/84/59/80/471845980.db2.gz XJDBPHRIKPQDFL-HXUWFJFHSA-N 1 0 326.440 2.941 20 10 EFCDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000085400856 472243110 /nfs/dbraw/zinc/24/31/10/472243110.db2.gz WESNORQJALDELC-QAPCUYQASA-N 1 0 344.503 2.551 20 10 EFCDRO CCOc1cccc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1O ZINC000116350333 472394838 /nfs/dbraw/zinc/39/48/38/472394838.db2.gz UUOWOUJUXCMNJG-INIZCTEOSA-N 1 0 340.423 2.965 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cc1C ZINC000128179134 472414450 /nfs/dbraw/zinc/41/44/50/472414450.db2.gz SLAUGHULBKXEII-QGZVFWFLSA-N 1 0 328.412 2.883 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000089619098 472470349 /nfs/dbraw/zinc/47/03/49/472470349.db2.gz NDBPRYAHRJROPM-FZMZJTMJSA-N 1 0 329.366 2.566 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNc3nnc(C)s3)cc2F)CC1 ZINC000077218552 472478256 /nfs/dbraw/zinc/47/82/56/472478256.db2.gz UXOZZGSFINPPBE-UHFFFAOYSA-N 1 0 335.452 2.740 20 10 EFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H](O)COC)cc1 ZINC000117946980 472484745 /nfs/dbraw/zinc/48/47/45/472484745.db2.gz HKGYSRHRGLRHJM-FQEVSTJZSA-N 1 0 328.456 2.810 20 10 EFCDRO CCCN(CCC)C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000071004497 472532371 /nfs/dbraw/zinc/53/23/71/472532371.db2.gz IFLAQQZNLMZTMH-UHFFFAOYSA-N 1 0 347.503 2.604 20 10 EFCDRO COc1ccc(N2CCN(C(=O)Nc3ccnc(C)c3)CC2)cc1F ZINC000119467445 472559224 /nfs/dbraw/zinc/55/92/24/472559224.db2.gz JYYYITDPVFBKDR-UHFFFAOYSA-N 1 0 344.390 2.892 20 10 EFCDRO C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000119663490 472573898 /nfs/dbraw/zinc/57/38/98/472573898.db2.gz CRDNTJMRBNVPAP-HNNXBMFYSA-N 1 0 347.478 2.940 20 10 EFCDRO COc1cccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1O ZINC000130296625 472595651 /nfs/dbraw/zinc/59/56/51/472595651.db2.gz HGBLDGUCCULUIC-UHFFFAOYSA-N 1 0 333.819 2.771 20 10 EFCDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000120027438 472618739 /nfs/dbraw/zinc/61/87/39/472618739.db2.gz AYUUBTGQOWIJTD-OAHLLOKOSA-N 1 0 342.439 2.985 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000103320353 472626337 /nfs/dbraw/zinc/62/63/37/472626337.db2.gz TWBCEDYWMVRDMU-UHFFFAOYSA-N 1 0 332.492 2.626 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047106253 472655657 /nfs/dbraw/zinc/65/56/57/472655657.db2.gz XHXHHONGRMLXLH-RTBURBONSA-N 1 0 344.503 2.911 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000047106243 472656273 /nfs/dbraw/zinc/65/62/73/472656273.db2.gz CVDJLDQFOJZEOX-ZWKOTPCHSA-N 1 0 330.476 2.521 20 10 EFCDRO C[NH+]1CCN(c2ccc(NCc3c(O)cccc3Cl)nc2)CC1 ZINC000131539031 472676639 /nfs/dbraw/zinc/67/66/39/472676639.db2.gz PZVICXZEWUVQHY-UHFFFAOYSA-N 1 0 332.835 2.805 20 10 EFCDRO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)N1CCCCCC1 ZINC000072952765 472745584 /nfs/dbraw/zinc/74/55/84/472745584.db2.gz YQEAUGYNLXPZMB-SFHVURJKSA-N 1 0 346.471 2.776 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1O ZINC000121088683 472797141 /nfs/dbraw/zinc/79/71/41/472797141.db2.gz PCJBUPKJMFNHNZ-KRWDZBQOSA-N 1 0 348.468 2.883 20 10 EFCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccc(C(=O)NC)cc2)c1 ZINC000121176237 472811973 /nfs/dbraw/zinc/81/19/73/472811973.db2.gz OUIHREBVGLJQHQ-UHFFFAOYSA-N 1 0 328.412 2.783 20 10 EFCDRO COc1cccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1O ZINC000073440818 472812148 /nfs/dbraw/zinc/81/21/48/472812148.db2.gz HBRZMRORJKABHK-INIZCTEOSA-N 1 0 343.427 2.503 20 10 EFCDRO COc1ccc(N2CC[NH+](Cc3cccc(OC)c3O)CC2)cc1F ZINC000091923403 472826813 /nfs/dbraw/zinc/82/68/13/472826813.db2.gz SOAIOVIRGWRHIW-UHFFFAOYSA-N 1 0 346.402 2.871 20 10 EFCDRO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1)OCO2 ZINC000091958892 472832113 /nfs/dbraw/zinc/83/21/13/472832113.db2.gz ZLXYXNFARGBQRO-DZGCQCFKSA-N 1 0 331.368 2.802 20 10 EFCDRO c1cc(N2CCOCC2)ccc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000092046918 472847204 /nfs/dbraw/zinc/84/72/04/472847204.db2.gz HNRFAYINRCDAMS-FQEVSTJZSA-N 1 0 329.488 2.583 20 10 EFCDRO CCOCCO[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000092067266 472851535 /nfs/dbraw/zinc/85/15/35/472851535.db2.gz KZPYEIZKMTUXPE-AWEZNQCLSA-N 1 0 344.249 2.782 20 10 EFCDRO CCC[N@H+](C)C[C@@H]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000121567807 472873620 /nfs/dbraw/zinc/87/36/20/472873620.db2.gz SCRKKARVROCDMY-ZDUSSCGKSA-N 1 0 337.420 2.780 20 10 EFCDRO COc1cccc(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1O ZINC000073811640 472881051 /nfs/dbraw/zinc/88/10/51/472881051.db2.gz SEGGPNCSTVKKNM-LIRRHRJNSA-N 1 0 349.475 2.711 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C)o3)cc2F)CC1 ZINC000106702124 472882639 /nfs/dbraw/zinc/88/26/39/472882639.db2.gz JJANNVSYYXAMOU-UHFFFAOYSA-N 1 0 345.418 2.799 20 10 EFCDRO CCO[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158038851 472885884 /nfs/dbraw/zinc/88/58/84/472885884.db2.gz JLLISBMWBXKGOZ-IUODEOHRSA-N 1 0 340.851 2.551 20 10 EFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccccn1 ZINC000158110920 472893164 /nfs/dbraw/zinc/89/31/64/472893164.db2.gz WXHGGRVWTRFXFR-HNNXBMFYSA-N 1 0 345.830 2.835 20 10 EFCDRO Cc1ccc(O)c(C[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)c1 ZINC000092535869 472930897 /nfs/dbraw/zinc/93/08/97/472930897.db2.gz OWDDXIGLKJVSQL-UHFFFAOYSA-N 1 0 342.414 2.727 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1 ZINC000092706505 472969325 /nfs/dbraw/zinc/96/93/25/472969325.db2.gz QOJKUGQVYBUJNQ-OAHLLOKOSA-N 1 0 334.460 2.775 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1 ZINC000092706506 472969738 /nfs/dbraw/zinc/96/97/38/472969738.db2.gz QOJKUGQVYBUJNQ-HNNXBMFYSA-N 1 0 334.460 2.775 20 10 EFCDRO Cn1nccc1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000080205699 472995735 /nfs/dbraw/zinc/99/57/35/472995735.db2.gz OKXFQGPFZMUYAF-CYBMUJFWSA-N 1 0 336.386 2.780 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)NC3CC[NH+](C)CC3)cc2)CC1 ZINC000108540280 473037740 /nfs/dbraw/zinc/03/77/40/473037740.db2.gz GWTNECGVJSNACT-UHFFFAOYSA-N 1 0 344.503 2.816 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(-n2cnnn2)cc1 ZINC000122953604 473077761 /nfs/dbraw/zinc/07/77/61/473077761.db2.gz YKAKYFFUOQVJSD-OAHLLOKOSA-N 1 0 348.454 2.896 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(-n2cnnn2)cc1 ZINC000122953381 473078022 /nfs/dbraw/zinc/07/80/22/473078022.db2.gz YKAKYFFUOQVJSD-HNNXBMFYSA-N 1 0 348.454 2.896 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H]3C[C@@H](C)N(C4CC4)C3)CC2)cc1 ZINC000123154573 473104094 /nfs/dbraw/zinc/10/40/94/473104094.db2.gz NTMDEVQECPYJCV-WBVHZDCISA-N 1 0 329.488 2.879 20 10 EFCDRO Cc1cc(O)c(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)cc1C ZINC000093454624 473109512 /nfs/dbraw/zinc/10/95/12/473109512.db2.gz BXQRALMVUMJZSM-GOSISDBHSA-N 1 0 329.444 2.688 20 10 EFCDRO COc1ccc(N2CCC[N@H+](CC(=O)N3CCCC[C@@H]3C)CC2)cc1 ZINC000052466191 473110297 /nfs/dbraw/zinc/11/02/97/473110297.db2.gz YLZMNWICSZIGQZ-KRWDZBQOSA-N 1 0 345.487 2.608 20 10 EFCDRO C[N@H+](CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1O ZINC000109772403 473119364 /nfs/dbraw/zinc/11/93/64/473119364.db2.gz RAXQFXIKASXLQW-UHFFFAOYSA-N 1 0 328.368 2.582 20 10 EFCDRO CCCOc1ccc(CNC(=O)C[N@H+](C)Cc2ccccc2O)cc1 ZINC000109769085 473119898 /nfs/dbraw/zinc/11/98/98/473119898.db2.gz LKRMRGZVYVJIFA-UHFFFAOYSA-N 1 0 342.439 2.929 20 10 EFCDRO COc1cccc(C[NH+]2CCN(c3nc(C)c(C)s3)CC2)c1O ZINC000093688991 473134725 /nfs/dbraw/zinc/13/47/25/473134725.db2.gz LVTWHUPTRREUNK-UHFFFAOYSA-N 1 0 333.457 2.796 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000066698509 473140899 /nfs/dbraw/zinc/14/08/99/473140899.db2.gz LSJSGXNKKSODHV-UHFFFAOYSA-N 1 0 331.460 2.941 20 10 EFCDRO C[N@H+](CCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1O ZINC000111236270 473197893 /nfs/dbraw/zinc/19/78/93/473197893.db2.gz JQNZLBDOAUMNCN-UHFFFAOYSA-N 1 0 338.407 2.900 20 10 EFCDRO C[C@H]([NH2+]CCSCCCO)c1ccc(Br)cc1O ZINC000185379081 473410121 /nfs/dbraw/zinc/41/01/21/473410121.db2.gz JVFYADIWHQHPCK-JTQLQIEISA-N 1 0 334.279 2.921 20 10 EFCDRO CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000190996810 473451968 /nfs/dbraw/zinc/45/19/68/473451968.db2.gz ZVCBVXLLGTVIOQ-UHFFFAOYSA-N 1 0 332.492 2.770 20 10 EFCDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cn1 ZINC000151580610 473474332 /nfs/dbraw/zinc/47/43/32/473474332.db2.gz XUCCXKDKSYZBPU-INIZCTEOSA-N 1 0 342.487 2.963 20 10 EFCDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185672943 473485454 /nfs/dbraw/zinc/48/54/54/473485454.db2.gz CVYSVSYSTVMFTB-GMXVVIOVSA-N 1 0 344.249 2.999 20 10 EFCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H](c1ccccc1)N(C)C ZINC000185680058 473488080 /nfs/dbraw/zinc/48/80/80/473488080.db2.gz LGNVSDPYPFRQHW-ORAYPTAESA-N 1 0 328.412 2.902 20 10 EFCDRO COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1O ZINC000114770745 473503431 /nfs/dbraw/zinc/50/34/31/473503431.db2.gz CCNYDSZOLCYAKG-CQSZACIVSA-N 1 0 336.432 2.890 20 10 EFCDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000185773460 473510955 /nfs/dbraw/zinc/51/09/55/473510955.db2.gz QQQFPLZRRQFELO-QGZVFWFLSA-N 1 0 331.460 2.997 20 10 EFCDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000185787186 473514137 /nfs/dbraw/zinc/51/41/37/473514137.db2.gz SGOCQDRZABMUJL-JQWIXIFHSA-N 1 0 341.249 2.816 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H](C[NH3+])C3)c2C)cc1 ZINC000178568014 473533016 /nfs/dbraw/zinc/53/30/16/473533016.db2.gz WDDKZHOPHLDKSY-OAHLLOKOSA-N 1 0 327.428 2.524 20 10 EFCDRO CCOCCOCC[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000191570641 473556650 /nfs/dbraw/zinc/55/66/50/473556650.db2.gz YJKIEXWGYKUNOR-UHFFFAOYSA-N 1 0 346.265 2.948 20 10 EFCDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3cc(Cl)ccc3O)C2=O)n(C)n1 ZINC000186083050 473587182 /nfs/dbraw/zinc/58/71/82/473587182.db2.gz RCUWAQXPWJRCFK-SMDDNHRTSA-N 1 0 348.834 2.544 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000186144187 473599994 /nfs/dbraw/zinc/59/99/94/473599994.db2.gz VVHBUHCVHKACNX-AAEUAGOBSA-N 1 0 330.350 2.905 20 10 EFCDRO CN(CC1CC[NH+](C)CC1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127963797 473668150 /nfs/dbraw/zinc/66/81/50/473668150.db2.gz ULMVWLLXBMXFKD-UHFFFAOYSA-N 1 0 342.487 2.546 20 10 EFCDRO COc1ccc2c(c1)nc(C[NH2+]Cc1cc(OC)ccc1O)n2C ZINC000186554516 473689438 /nfs/dbraw/zinc/68/94/38/473689438.db2.gz RNCWOWPGUZTOCV-UHFFFAOYSA-N 1 0 327.384 2.586 20 10 EFCDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccs2)c(O)c1O ZINC000179541310 473693832 /nfs/dbraw/zinc/69/38/32/473693832.db2.gz MOAYCNLBYMQQKK-UHFFFAOYSA-N 1 0 334.441 2.672 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000179672710 473707300 /nfs/dbraw/zinc/70/73/00/473707300.db2.gz JKKUIBPTARHFSX-UHFFFAOYSA-N 1 0 336.432 2.844 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000179703730 473709859 /nfs/dbraw/zinc/70/98/59/473709859.db2.gz AZGGIJKTAHLXAR-UHFFFAOYSA-N 1 0 336.432 2.890 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000179704440 473710372 /nfs/dbraw/zinc/71/03/72/473710372.db2.gz HVKBSCUUTNOHNX-AWEZNQCLSA-N 1 0 336.432 2.890 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)/C=C/C[NH+](C)C ZINC000269201033 473729857 /nfs/dbraw/zinc/72/98/57/473729857.db2.gz YRJVDKYPOMSSKO-AATRIKPKSA-N 1 0 341.249 2.621 20 10 EFCDRO C[C@H](NC(=O)NCc1ccccc1O)[C@H](c1ccccc1)[NH+](C)C ZINC000287694996 473736967 /nfs/dbraw/zinc/73/69/67/473736967.db2.gz XHKBKRCUMZUBFH-KBXCAEBGSA-N 1 0 327.428 2.883 20 10 EFCDRO C[C@@H](NC(=O)NCc1ccccc1O)[C@H](c1ccccc1)[NH+](C)C ZINC000287695022 473736993 /nfs/dbraw/zinc/73/69/93/473736993.db2.gz XHKBKRCUMZUBFH-RDTXWAMCSA-N 1 0 327.428 2.883 20 10 EFCDRO O=C(NC1CC[NH+](Cc2cc(F)ccc2O)CC1)c1ccccc1 ZINC000179896331 473751371 /nfs/dbraw/zinc/75/13/71/473751371.db2.gz JLBDPBVYAVHSQH-UHFFFAOYSA-N 1 0 328.387 2.926 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)c2C)cc1 ZINC000269260137 473752594 /nfs/dbraw/zinc/75/25/94/473752594.db2.gz IYINUSOGAMMHCF-DJJJIMSYSA-N 1 0 341.455 2.912 20 10 EFCDRO CC[C@@H]([NH2+][C@H](CO)CCOC)c1cc(Br)ccc1O ZINC000281547319 473759643 /nfs/dbraw/zinc/75/96/43/473759643.db2.gz IYQFSDKKLKEAHD-WCQYABFASA-N 1 0 332.238 2.593 20 10 EFCDRO CC[C@H]([NH2+][C@@H](CO)CCOC)c1cc(Br)ccc1O ZINC000281547326 473759711 /nfs/dbraw/zinc/75/97/11/473759711.db2.gz IYQFSDKKLKEAHD-YPMHNXCESA-N 1 0 332.238 2.593 20 10 EFCDRO O=C(NC1CC[NH+](Cc2cc(F)ccc2O)CC1)c1ccsc1 ZINC000179985723 473771467 /nfs/dbraw/zinc/77/14/67/473771467.db2.gz QJPMXWMHKYVZEN-UHFFFAOYSA-N 1 0 334.416 2.987 20 10 EFCDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cc(F)ccc2O)CC1 ZINC000180011645 473776553 /nfs/dbraw/zinc/77/65/53/473776553.db2.gz YCAHURPXAXCTBL-HZPDHXFCSA-N 1 0 335.467 2.522 20 10 EFCDRO COCC[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000281623346 473786040 /nfs/dbraw/zinc/78/60/40/473786040.db2.gz NVXSWXLOZRIXJB-CMPLNLGQSA-N 1 0 332.238 2.511 20 10 EFCDRO O=C(c1cccc(O)c1O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000186990612 473797628 /nfs/dbraw/zinc/79/76/28/473797628.db2.gz ISBKDONGCLMEMB-UHFFFAOYSA-N 1 0 332.444 2.826 20 10 EFCDRO COC(=O)CC1(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000281710732 473813067 /nfs/dbraw/zinc/81/30/67/473813067.db2.gz UNRJCTBLVQPAGT-MRXNPFEDSA-N 1 0 333.428 2.717 20 10 EFCDRO COC(=O)CC1(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000281710731 473813955 /nfs/dbraw/zinc/81/39/55/473813955.db2.gz UNRJCTBLVQPAGT-INIZCTEOSA-N 1 0 333.428 2.717 20 10 EFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@]2(O)CCSC2)c1O ZINC000187276107 473850739 /nfs/dbraw/zinc/85/07/39/473850739.db2.gz ZZEFTLVTCBILMN-YGRLFVJLSA-N 1 0 346.290 2.982 20 10 EFCDRO Cc1ccc2c(c1)nc(C[NH2+]Cc1cc3c(cc1O)OCO3)n2C ZINC000187574972 473885701 /nfs/dbraw/zinc/88/57/01/473885701.db2.gz XUSVIGUEJGNHBG-UHFFFAOYSA-N 1 0 325.368 2.606 20 10 EFCDRO CC[C@@H]([NH2+]CCCOCCOCCOC)c1ccc(N(C)C)cc1 ZINC000274630643 473903037 /nfs/dbraw/zinc/90/30/37/473903037.db2.gz HYQYJXJNRBLERW-LJQANCHMSA-N 1 0 338.492 2.863 20 10 EFCDRO Cc1ccc([C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[NH+](C)C)cc1 ZINC000180714257 473949478 /nfs/dbraw/zinc/94/94/78/473949478.db2.gz IEJNURDOGUWFEQ-VDZSZVPASA-N 1 0 340.423 2.839 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC[N@H+](C)C3CC3)ccc21 ZINC000264229420 473957159 /nfs/dbraw/zinc/95/71/59/473957159.db2.gz XOXGZPZWLLZFLM-UHFFFAOYSA-N 1 0 343.471 2.729 20 10 EFCDRO CC(C)CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC[NH+](C)CC1 ZINC000180777650 473961576 /nfs/dbraw/zinc/96/15/76/473961576.db2.gz DOQPRMSJJMAXDR-FNORWQNLSA-N 1 0 332.444 2.690 20 10 EFCDRO CCCCC[N@H+](CC(N)=O)Cc1cc(Br)ccc1O ZINC000180802760 473969452 /nfs/dbraw/zinc/96/94/52/473969452.db2.gz VRBGOIQWUBVOMI-UHFFFAOYSA-N 1 0 329.238 2.632 20 10 EFCDRO O=C1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CN1c1c(F)cccc1F ZINC000180904728 473983938 /nfs/dbraw/zinc/98/39/38/473983938.db2.gz RFDCJACKNIROLN-GFCCVEGCSA-N 1 0 336.313 2.705 20 10 EFCDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180935025 473988685 /nfs/dbraw/zinc/98/86/85/473988685.db2.gz GMOVUHHYRNNGTM-CGMDNHBQSA-N 1 0 346.471 2.985 20 10 EFCDRO C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc(Br)ccc1O ZINC000282302182 474014678 /nfs/dbraw/zinc/01/46/78/474014678.db2.gz MLRPKDBNFKTPIO-NIVTXAMTSA-N 1 0 332.263 2.716 20 10 EFCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000264532548 474027154 /nfs/dbraw/zinc/02/71/54/474027154.db2.gz JUGUKYDZOIGOBR-HNNXBMFYSA-N 1 0 334.460 2.733 20 10 EFCDRO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc(N(C)C)cc1 ZINC000282345065 474031565 /nfs/dbraw/zinc/03/15/65/474031565.db2.gz ABTPKADICUVUTL-UHFFFAOYSA-N 1 0 331.485 2.952 20 10 EFCDRO C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(Br)cc1O ZINC000282357521 474036750 /nfs/dbraw/zinc/03/67/50/474036750.db2.gz PNNOWSSGBLHJDB-NIVTXAMTSA-N 1 0 332.263 2.716 20 10 EFCDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(O)c1 ZINC000181486487 474040374 /nfs/dbraw/zinc/04/03/74/474040374.db2.gz FWNGYVTVXSALHE-HNNXBMFYSA-N 1 0 341.455 2.767 20 10 EFCDRO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000282448568 474070328 /nfs/dbraw/zinc/07/03/28/474070328.db2.gz ZRNJFJMMDCSJPU-SJLPKXTDSA-N 1 0 336.451 2.957 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)CC[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000270331880 474075883 /nfs/dbraw/zinc/07/58/83/474075883.db2.gz LSNIHADCXMGWKB-SFHVURJKSA-N 1 0 329.488 2.929 20 10 EFCDRO CCCC[N@H+](CC(=O)Nc1c(C)n[nH]c1C)Cc1ccccc1O ZINC000282524679 474097912 /nfs/dbraw/zinc/09/79/12/474097912.db2.gz UGNMPCYGZHCNNO-UHFFFAOYSA-N 1 0 330.432 2.973 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)cc1OC ZINC000182095547 474098892 /nfs/dbraw/zinc/09/88/92/474098892.db2.gz CMHQEHMYYZOFAT-IZHWHUGBSA-N 1 0 349.452 2.619 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC[N@H+](C)C1CC1 ZINC000264797218 474129673 /nfs/dbraw/zinc/12/96/73/474129673.db2.gz DOAIXHZJDXLSFH-UHFFFAOYSA-N 1 0 344.503 2.913 20 10 EFCDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000275364681 474158653 /nfs/dbraw/zinc/15/86/53/474158653.db2.gz WFWWREVVWRINMW-LPHOPBHVSA-N 1 0 329.444 2.979 20 10 EFCDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000182385951 474163228 /nfs/dbraw/zinc/16/32/28/474163228.db2.gz RAWNJFWURXVTOM-QZTJIDSGSA-N 1 0 336.501 2.732 20 10 EFCDRO COC[C@H](CCO)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000275378002 474164362 /nfs/dbraw/zinc/16/43/62/474164362.db2.gz WYYVSDKSJJPIOC-JQWIXIFHSA-N 1 0 332.238 2.511 20 10 EFCDRO CN(C)c1ccc(C[N@H+](CC2CCS(=O)(=O)CC2)C2CC2)cc1 ZINC000270549774 474165989 /nfs/dbraw/zinc/16/59/89/474165989.db2.gz YRIJJNBMYPLLCE-UHFFFAOYSA-N 1 0 336.501 2.542 20 10 EFCDRO C[NH+](C)C1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CCC1 ZINC000275382959 474166051 /nfs/dbraw/zinc/16/60/51/474166051.db2.gz BFLJYEJKLMMYOL-UHFFFAOYSA-N 1 0 330.476 2.570 20 10 EFCDRO CCOc1cccc(C[NH2+][C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c1O ZINC000275385288 474167246 /nfs/dbraw/zinc/16/72/46/474167246.db2.gz YZGBDCANTJCMST-KXBFYZLASA-N 1 0 345.443 2.761 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)c1 ZINC000182404991 474168581 /nfs/dbraw/zinc/16/85/81/474168581.db2.gz JYFONZXEGXXCQJ-AWEZNQCLSA-N 1 0 328.412 2.710 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000182441193 474176331 /nfs/dbraw/zinc/17/63/31/474176331.db2.gz AOITUAFYWUDRQE-GWCFXTLKSA-N 1 0 346.349 2.605 20 10 EFCDRO CC[N@H+](CCOCCO)Cc1ccc(OCc2ccccc2)cc1O ZINC000282752236 474180283 /nfs/dbraw/zinc/18/02/83/474180283.db2.gz ODVTUXHDIZQGNL-UHFFFAOYSA-N 1 0 345.439 2.802 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1nccn1C ZINC000182572743 474209188 /nfs/dbraw/zinc/20/91/88/474209188.db2.gz GITFHYRXLSKORA-IBGZPJMESA-N 1 0 342.487 2.870 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@H](c3cncn3C)C2)c(O)c1 ZINC000275502813 474212848 /nfs/dbraw/zinc/21/28/48/474212848.db2.gz JUGXRBWTDHYCAM-KXBFYZLASA-N 1 0 345.443 2.924 20 10 EFCDRO Cc1ccncc1CCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000289309844 474220428 /nfs/dbraw/zinc/22/04/28/474220428.db2.gz RXGBAUILHGIZHS-UHFFFAOYSA-N 1 0 325.456 2.949 20 10 EFCDRO CC(C)[NH+]1CCC(NC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000225521949 474221426 /nfs/dbraw/zinc/22/14/26/474221426.db2.gz ADEAPDBTCJUYFM-UHFFFAOYSA-N 1 0 344.503 2.741 20 10 EFCDRO CN1C(=O)C[C@H]([NH2+]Cc2ccccc2O)[C@H]1c1ccc(F)c(F)c1 ZINC000270693518 474224356 /nfs/dbraw/zinc/22/43/56/474224356.db2.gz WLLPHYZWDUSRAT-MAUKXSAKSA-N 1 0 332.350 2.732 20 10 EFCDRO COc1cc(O)c(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)cc1OC ZINC000182676979 474232265 /nfs/dbraw/zinc/23/22/65/474232265.db2.gz GORUXAKDBXHCHD-SFHVURJKSA-N 1 0 335.375 2.546 20 10 EFCDRO Oc1ccc(Br)cc1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000227435406 474246349 /nfs/dbraw/zinc/24/63/49/474246349.db2.gz MTDUILWICYCHJD-CQSZACIVSA-N 1 0 344.249 2.830 20 10 EFCDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1cc(Br)ccc1O ZINC000227440787 474246435 /nfs/dbraw/zinc/24/64/35/474246435.db2.gz NIJMAKDGLPTGQK-JTQLQIEISA-N 1 0 329.238 2.549 20 10 EFCDRO COc1cc(O)c(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)cc1OC ZINC000282999538 474268251 /nfs/dbraw/zinc/26/82/51/474268251.db2.gz KQJXKTBBFOUWOX-KRWDZBQOSA-N 1 0 331.412 2.849 20 10 EFCDRO CC(C)([NH3+])CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000236576524 474271936 /nfs/dbraw/zinc/27/19/36/474271936.db2.gz XDYYXOFKGBLFSM-GFCCVEGCSA-N 1 0 341.402 2.500 20 10 EFCDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000283015963 474273509 /nfs/dbraw/zinc/27/35/09/474273509.db2.gz LWFMBSWZJHTWJM-INIZCTEOSA-N 1 0 329.375 2.927 20 10 EFCDRO COCOc1ccc(OC)cc1C[NH2+]Cc1cccc(OC)c1O ZINC000289460456 474281412 /nfs/dbraw/zinc/28/14/12/474281412.db2.gz OJLNKYZFKMWMQL-UHFFFAOYSA-N 1 0 333.384 2.682 20 10 EFCDRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000182930736 474289786 /nfs/dbraw/zinc/28/97/86/474289786.db2.gz LENQWDMCVCYPGE-KRWDZBQOSA-N 1 0 340.423 2.669 20 10 EFCDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000275717132 474293143 /nfs/dbraw/zinc/29/31/43/474293143.db2.gz YUKBINFRGFRJJT-RDJZCZTQSA-N 1 0 332.423 2.728 20 10 EFCDRO Oc1cc2c(cc1CN1CCO[C@H](Cc3ccccc3)C1)OCO2 ZINC000182955221 474295962 /nfs/dbraw/zinc/29/59/62/474295962.db2.gz YENKRKQSYGPFRT-MRXNPFEDSA-N 1 0 327.380 2.564 20 10 EFCDRO CCC[N@H+](CC(=O)NC)Cc1ccc(OCc2ccccc2)cc1O ZINC000183013895 474306243 /nfs/dbraw/zinc/30/62/43/474306243.db2.gz IXOLTDUOZJHKKY-UHFFFAOYSA-N 1 0 342.439 2.929 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)c1 ZINC000275817541 474329158 /nfs/dbraw/zinc/32/91/58/474329158.db2.gz DGUNNOMCTZHSFI-CYBMUJFWSA-N 1 0 330.432 2.752 20 10 EFCDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000183120073 474332829 /nfs/dbraw/zinc/33/28/29/474332829.db2.gz OOMSBHLGBQRZQG-OAHLLOKOSA-N 1 0 342.439 2.785 20 10 EFCDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000289591417 474337110 /nfs/dbraw/zinc/33/71/10/474337110.db2.gz KLSSOHRVOAKAAG-WIYYLYMNSA-N 1 0 343.515 2.972 20 10 EFCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000183159293 474340357 /nfs/dbraw/zinc/34/03/57/474340357.db2.gz ZZHTYDFIFKAWGS-IBGZPJMESA-N 1 0 345.464 2.929 20 10 EFCDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000183156147 474341161 /nfs/dbraw/zinc/34/11/61/474341161.db2.gz YPNJVBUCNFHYRK-HXUWFJFHSA-N 1 0 345.439 2.848 20 10 EFCDRO C[C@@H](c1ccccc1)[N@H+](CCN1CCNC1=O)Cc1ccccc1O ZINC000289657529 474364685 /nfs/dbraw/zinc/36/46/85/474364685.db2.gz CRUUBXGPASOICJ-INIZCTEOSA-N 1 0 339.439 2.981 20 10 EFCDRO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(N2CCCCCC2)cc1 ZINC000183353561 474374459 /nfs/dbraw/zinc/37/44/59/474374459.db2.gz WRIQLDBAMOHPPK-KRWDZBQOSA-N 1 0 345.487 2.576 20 10 EFCDRO C[C@@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)[C@H]1CCC[NH2+]C1 ZINC000237335975 474385166 /nfs/dbraw/zinc/38/51/66/474385166.db2.gz DSXZWZWIVBPORV-GJZGRUSLSA-N 1 0 331.460 2.504 20 10 EFCDRO C[C@@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)[C@@H]1CCC[NH2+]C1 ZINC000237335944 474385608 /nfs/dbraw/zinc/38/56/08/474385608.db2.gz DSXZWZWIVBPORV-LSDHHAIUSA-N 1 0 331.460 2.504 20 10 EFCDRO C[C@@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)OCCc2sccc21 ZINC000289729544 474400236 /nfs/dbraw/zinc/40/02/36/474400236.db2.gz GRATZCQIRROXPI-KRWDZBQOSA-N 1 0 333.409 2.760 20 10 EFCDRO COc1ccc(OCC[N@H+](C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000271122283 474402270 /nfs/dbraw/zinc/40/22/70/474402270.db2.gz YINHPWHXEZWVDZ-UHFFFAOYSA-N 1 0 347.411 2.929 20 10 EFCDRO NC(=O)CCC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000271160077 474410861 /nfs/dbraw/zinc/41/08/61/474410861.db2.gz ABXKLINSLWEFLS-UHFFFAOYSA-N 1 0 341.249 2.632 20 10 EFCDRO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1O ZINC000271215147 474445120 /nfs/dbraw/zinc/44/51/20/474445120.db2.gz ZTZIAAJXWDKKCD-UHFFFAOYSA-N 1 0 345.395 2.778 20 10 EFCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000271216483 474445141 /nfs/dbraw/zinc/44/51/41/474445141.db2.gz XAHXMTRHLBUMTE-KRWDZBQOSA-N 1 0 336.501 2.543 20 10 EFCDRO Cc1ccc(O)c(C[NH+]2CCN(Cc3noc(C(C)(C)C)n3)CC2)c1 ZINC000271220579 474448707 /nfs/dbraw/zinc/44/87/07/474448707.db2.gz ZDMNLPLHXLSKOZ-UHFFFAOYSA-N 1 0 344.459 2.699 20 10 EFCDRO COC(=O)CN(CC[C@@H]1CCCO1)Cc1cc(Cl)ccc1O ZINC000189664279 474460038 /nfs/dbraw/zinc/46/00/38/474460038.db2.gz ROCCWNLPRSXMNK-AWEZNQCLSA-N 1 0 327.808 2.590 20 10 EFCDRO CCN(CCC[NH+](C)C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000276243970 474466027 /nfs/dbraw/zinc/46/60/27/474466027.db2.gz PQSDOWSQVJTZJD-UHFFFAOYSA-N 1 0 328.460 2.903 20 10 EFCDRO Cc1cc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c(C)n1-c1ccccn1 ZINC000289911991 474482099 /nfs/dbraw/zinc/48/20/99/474482099.db2.gz NJCSICNKZDIRDU-FQEVSTJZSA-N 1 0 338.455 2.705 20 10 EFCDRO Nc1ccc(CC(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC000237898502 474497171 /nfs/dbraw/zinc/49/71/71/474497171.db2.gz ROVNLYPOKNALQT-UHFFFAOYSA-N 1 0 347.528 2.679 20 10 EFCDRO COCCOCCOCC[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000276328436 474498120 /nfs/dbraw/zinc/49/81/20/474498120.db2.gz GMQIRSWCIKRNRT-UHFFFAOYSA-N 1 0 333.428 2.657 20 10 EFCDRO Nc1ccc(CC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000237899810 474499433 /nfs/dbraw/zinc/49/94/33/474499433.db2.gz MTDZOYSUZXMRDE-UHFFFAOYSA-N 1 0 343.496 2.901 20 10 EFCDRO COC[C@@]1(C[NH2+]Cc2cc(C)ccc2O)OCCc2ccccc21 ZINC000289951729 474500193 /nfs/dbraw/zinc/50/01/93/474500193.db2.gz UXFPTTHVSWJEQB-HXUWFJFHSA-N 1 0 327.424 2.905 20 10 EFCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)c(O)c1 ZINC000271340581 474500449 /nfs/dbraw/zinc/50/04/49/474500449.db2.gz OGOYSOFOXFTUPZ-OAHLLOKOSA-N 1 0 330.432 2.987 20 10 EFCDRO COC[C@]1(C[NH2+]Cc2cc(C)ccc2O)OCCc2ccccc21 ZINC000289951725 474500544 /nfs/dbraw/zinc/50/05/44/474500544.db2.gz UXFPTTHVSWJEQB-FQEVSTJZSA-N 1 0 327.424 2.905 20 10 EFCDRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000290143281 474559197 /nfs/dbraw/zinc/55/91/97/474559197.db2.gz OERWKYTWQUFYQN-HNNXBMFYSA-N 1 0 345.464 2.974 20 10 EFCDRO C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000290145410 474559225 /nfs/dbraw/zinc/55/92/25/474559225.db2.gz KZUGMBORJLOQKG-RDTXWAMCSA-N 1 0 336.451 2.864 20 10 EFCDRO CCn1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000271467708 474559764 /nfs/dbraw/zinc/55/97/64/474559764.db2.gz IMTNFMXSKHKPOY-CQSZACIVSA-N 1 0 332.423 2.730 20 10 EFCDRO C[N@H+](CCn1cc(Br)cn1)Cc1cc(F)ccc1O ZINC000290223845 474561663 /nfs/dbraw/zinc/56/16/63/474561663.db2.gz SBJQTWKFXPTHMX-UHFFFAOYSA-N 1 0 328.185 2.622 20 10 EFCDRO COc1cncc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000290258099 474563954 /nfs/dbraw/zinc/56/39/54/474563954.db2.gz KKCISYBXRRUKEV-UHFFFAOYSA-N 1 0 327.428 2.559 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000290290702 474565338 /nfs/dbraw/zinc/56/53/38/474565338.db2.gz ALAPXSXUKGMXCK-SFHVURJKSA-N 1 0 329.488 2.977 20 10 EFCDRO COc1cc(O)c(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1OC ZINC000290285647 474565596 /nfs/dbraw/zinc/56/55/96/474565596.db2.gz ZPZILKRZJZQPLO-UHFFFAOYSA-N 1 0 348.365 2.526 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000290290699 474565649 /nfs/dbraw/zinc/56/56/49/474565649.db2.gz ALAPXSXUKGMXCK-GOSISDBHSA-N 1 0 329.488 2.977 20 10 EFCDRO Oc1ccccc1C[N@@H+](Cc1c[nH]c2nccnc12)C[C@@H]1CCCO1 ZINC000290321614 474566859 /nfs/dbraw/zinc/56/68/59/474566859.db2.gz BSOZCUWNHASPNQ-INIZCTEOSA-N 1 0 338.411 2.845 20 10 EFCDRO CCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184677225 474580757 /nfs/dbraw/zinc/58/07/57/474580757.db2.gz RJWROWYFBRWUBM-UHFFFAOYSA-N 1 0 340.851 2.792 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000277279609 474580854 /nfs/dbraw/zinc/58/08/54/474580854.db2.gz ANEYIJXGLWGJBX-LJQANCHMSA-N 1 0 344.503 2.911 20 10 EFCDRO CCc1nnc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)[nH]1 ZINC000271532836 474581051 /nfs/dbraw/zinc/58/10/51/474581051.db2.gz PVPGXSLSQZCJKG-ZIAGYGMSSA-N 1 0 329.448 2.616 20 10 EFCDRO Cc1cccc(C[NH+]2CCN(c3nc(F)c(F)cc3F)CC2)c1O ZINC000277380231 474583097 /nfs/dbraw/zinc/58/30/97/474583097.db2.gz GFTYQZZXQYXSJV-UHFFFAOYSA-N 1 0 337.345 2.835 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1O ZINC000184687338 474585020 /nfs/dbraw/zinc/58/50/20/474585020.db2.gz CUHZJVHALCTFOK-NSHDSACASA-N 1 0 327.808 2.639 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CCOCC(F)(F)C(F)F)cc1F ZINC000277449264 474585514 /nfs/dbraw/zinc/58/55/14/474585514.db2.gz GDKMJGONOQHXIO-UHFFFAOYSA-N 1 0 326.309 2.898 20 10 EFCDRO CCNC(=O)C1(C[NH2+]Cc2cc(Br)ccc2O)CCC1 ZINC000277499643 474587106 /nfs/dbraw/zinc/58/71/06/474587106.db2.gz VAXIMBARJZARMP-UHFFFAOYSA-N 1 0 341.249 2.551 20 10 EFCDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccccc1O ZINC000271729423 474587343 /nfs/dbraw/zinc/58/73/43/474587343.db2.gz SBWBHIQJPLQRPW-CZUORRHYSA-N 1 0 345.395 2.602 20 10 EFCDRO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000277479955 474587364 /nfs/dbraw/zinc/58/73/64/474587364.db2.gz BLMRPLDYHCFZSI-OAHLLOKOSA-N 1 0 333.453 2.945 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCN(C)c3ccccc3C2)cc1OC ZINC000271747833 474588414 /nfs/dbraw/zinc/58/84/14/474588414.db2.gz UEZHIFTUUPFDRV-UHFFFAOYSA-N 1 0 328.412 2.861 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1OC ZINC000271789947 474590362 /nfs/dbraw/zinc/59/03/62/474590362.db2.gz GNPCXUKFASADDW-DYVFJYSZSA-N 1 0 339.457 2.554 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)[C@H](CCO)c2ccccc2)cc1OC ZINC000271795277 474592513 /nfs/dbraw/zinc/59/25/13/474592513.db2.gz JVSYUZCODNFOIE-MRXNPFEDSA-N 1 0 331.412 2.965 20 10 EFCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CCN(c3ccccc3F)C1)OCO2 ZINC000291082573 474592717 /nfs/dbraw/zinc/59/27/17/474592717.db2.gz VKTDWZHGJZMYSC-CYBMUJFWSA-N 1 0 344.386 2.876 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2cc(OC)ccc2OC)c1 ZINC000271852243 474596845 /nfs/dbraw/zinc/59/68/45/474596845.db2.gz RLKHBOHGJDJOEB-XIKOKIGWSA-N 1 0 347.411 2.802 20 10 EFCDRO CCOC1CC(O)(C[NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000278185776 474602319 /nfs/dbraw/zinc/60/23/19/474602319.db2.gz BULPVPVQNXPYKJ-CKQAKLJMSA-N 1 0 344.249 2.735 20 10 EFCDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000272404801 474610687 /nfs/dbraw/zinc/61/06/87/474610687.db2.gz JVSBBBPNXNJXMS-SCLBCKFNSA-N 1 0 337.416 2.621 20 10 EFCDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000272404807 474610753 /nfs/dbraw/zinc/61/07/53/474610753.db2.gz JVSBBBPNXNJXMS-UGSOOPFHSA-N 1 0 337.416 2.621 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000272490213 474614508 /nfs/dbraw/zinc/61/45/08/474614508.db2.gz RMAOPZVLVSEPOV-FNORWQNLSA-N 1 0 330.428 2.588 20 10 EFCDRO COc1cccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000278420691 474639773 /nfs/dbraw/zinc/63/97/73/474639773.db2.gz RNMHHVPRUVFLDJ-TZMCWYRMSA-N 1 0 336.432 2.746 20 10 EFCDRO COC(=O)[C@]12C[N@H+](Cc3cc(OC)c(OC)cc3O)C[C@H]1CCCC2 ZINC000284504933 474653499 /nfs/dbraw/zinc/65/34/99/474653499.db2.gz TUZUFAAVNOQDHE-AUUYWEPGSA-N 1 0 349.427 2.575 20 10 EFCDRO COc1cc(O)c(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cc1OC ZINC000292830506 474664662 /nfs/dbraw/zinc/66/46/62/474664662.db2.gz REZIMRLCQXUBES-OAHLLOKOSA-N 1 0 337.803 2.886 20 10 EFCDRO COc1c(O)c(CN(CCC[NH3+])c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000278528086 474681663 /nfs/dbraw/zinc/68/16/63/474681663.db2.gz UHVBZLKIULDSLD-UHFFFAOYSA-N 1 0 349.362 2.804 20 10 EFCDRO COc1c(O)c(C[NH2+]Cc2ccc3c(n2)CCCC3)ccc1[N+](=O)[O-] ZINC000278568914 474707868 /nfs/dbraw/zinc/70/78/68/474707868.db2.gz BRMINGIXNIRREO-UHFFFAOYSA-N 1 0 343.383 2.873 20 10 EFCDRO CCn1cc(CC[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000278578754 474716799 /nfs/dbraw/zinc/71/67/99/474716799.db2.gz JXTXSFICGDDUBR-SFHVURJKSA-N 1 0 329.444 2.832 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)c(O)c1 ZINC000292999942 474759942 /nfs/dbraw/zinc/75/99/42/474759942.db2.gz MZHOSBTZOHEDHN-KRWDZBQOSA-N 1 0 328.412 2.887 20 10 EFCDRO CN(C)c1ccc(C[NH2+]Cc2cccc(N3CCOCC3)c2)cc1 ZINC000293007689 474763765 /nfs/dbraw/zinc/76/37/65/474763765.db2.gz PMHIRXDDPOBDOF-UHFFFAOYSA-N 1 0 325.456 2.879 20 10 EFCDRO CCCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)c(O)c1 ZINC000284779529 474767176 /nfs/dbraw/zinc/76/71/76/474767176.db2.gz XZHQXZJBRVEHNM-SJORKVTESA-N 1 0 347.459 2.558 20 10 EFCDRO COCCOCCOCCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000284915083 474823888 /nfs/dbraw/zinc/82/38/88/474823888.db2.gz CVNAGCBJTCQZNT-MRXNPFEDSA-N 1 0 325.449 2.729 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c1 ZINC000273305099 474833023 /nfs/dbraw/zinc/83/30/23/474833023.db2.gz CQQKKIWCAYQIDF-CYBMUJFWSA-N 1 0 349.452 2.796 20 10 EFCDRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(C)c(C)c3O)C2=O)n(C)n1 ZINC000273349484 474853203 /nfs/dbraw/zinc/85/32/03/474853203.db2.gz BLJIEXIHULRGBJ-GDBMZVCRSA-N 1 0 342.443 2.507 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cc(F)ccc1O ZINC000273395020 474876191 /nfs/dbraw/zinc/87/61/91/474876191.db2.gz LTQNSYGXAHTOCH-GFCCVEGCSA-N 1 0 337.416 2.927 20 10 EFCDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000285065213 474879973 /nfs/dbraw/zinc/87/99/73/474879973.db2.gz LTFGWSRCAHYBCB-CQSZACIVSA-N 1 0 340.851 2.935 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1cc(Br)ccc1O ZINC000273443881 474900099 /nfs/dbraw/zinc/90/00/99/474900099.db2.gz DSVRCCMBRSHHQV-BMIGLBTASA-N 1 0 344.249 2.593 20 10 EFCDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273454014 474906060 /nfs/dbraw/zinc/90/60/60/474906060.db2.gz GRNRWSGCIOYGKB-RDJZCZTQSA-N 1 0 336.476 2.837 20 10 EFCDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)nc(N2CCCC2)n1 ZINC000292220307 474909049 /nfs/dbraw/zinc/90/90/49/474909049.db2.gz ABGBYNGZKUCQTG-UHFFFAOYSA-N 1 0 343.450 2.880 20 10 EFCDRO CCCOc1ncccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278912468 474911479 /nfs/dbraw/zinc/91/14/79/474911479.db2.gz SRENFQKSDKYUHL-UHFFFAOYSA-N 1 0 347.371 2.783 20 10 EFCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)c(O)c1 ZINC000273506008 474934519 /nfs/dbraw/zinc/93/45/19/474934519.db2.gz ZMJIGWMRLLERJG-QAPCUYQASA-N 1 0 339.439 2.937 20 10 EFCDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000285266949 474951050 /nfs/dbraw/zinc/95/10/50/474951050.db2.gz YILPVDFBBRBPBO-RDJZCZTQSA-N 1 0 326.440 2.840 20 10 EFCDRO Oc1ccc2ccccc2c1C[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000273548395 474957195 /nfs/dbraw/zinc/95/71/95/474957195.db2.gz YECVRCOFZQWIMM-UHFFFAOYSA-N 1 0 338.386 2.797 20 10 EFCDRO C[C@H]([NH2+]CCN1CCSCC1)c1ccc(Br)cc1O ZINC000273561335 474962243 /nfs/dbraw/zinc/96/22/43/474962243.db2.gz IDSZJZCMGJKGCA-NSHDSACASA-N 1 0 345.306 2.854 20 10 EFCDRO C[C@H]1CCSCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000279247227 474966737 /nfs/dbraw/zinc/96/67/37/474966737.db2.gz KVEOFTVEOVNUDT-HNNXBMFYSA-N 1 0 335.517 2.538 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(O)c1O ZINC000279425093 474974610 /nfs/dbraw/zinc/97/46/10/474974610.db2.gz YQYMDIZTGFTUNE-PBHICJAKSA-N 1 0 340.423 2.738 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2cc(OC)cc(OC)c2)c1 ZINC000273591165 474979316 /nfs/dbraw/zinc/97/93/16/474979316.db2.gz PGVWCDGGVQXBJW-BUXKBTBVSA-N 1 0 347.411 2.802 20 10 EFCDRO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279556679 474980232 /nfs/dbraw/zinc/98/02/32/474980232.db2.gz AZRMLBKHSYYUEL-RKFFSXRUSA-N 1 0 336.423 2.970 20 10 EFCDRO CCOc1cccc(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1O ZINC000285345863 474980620 /nfs/dbraw/zinc/98/06/20/474980620.db2.gz AKWFMQRQKTUVCV-MRXNPFEDSA-N 1 0 347.459 2.561 20 10 EFCDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1nncn1C ZINC000273593355 474980736 /nfs/dbraw/zinc/98/07/36/474980736.db2.gz PVGDXLQKGBMTEQ-IUCAKERBSA-N 1 0 325.210 2.695 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c(O)c1C ZINC000273604018 474986566 /nfs/dbraw/zinc/98/65/66/474986566.db2.gz SOEZMHSRAWLFMH-FUHWJXTLSA-N 1 0 347.503 2.602 20 10 EFCDRO CC[C@H]([NH2+]CCCOCCOCCOC)c1ccc(C)cc1O ZINC000279940166 475001248 /nfs/dbraw/zinc/00/12/48/475001248.db2.gz BDHKPKHZIINCJA-KRWDZBQOSA-N 1 0 325.449 2.811 20 10 EFCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)cc1C ZINC000285400502 475008259 /nfs/dbraw/zinc/00/82/59/475008259.db2.gz FDPBTIVFEVRJMX-KRWDZBQOSA-N 1 0 331.460 2.779 20 10 EFCDRO OC[C@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCOC1 ZINC000280206898 475014376 /nfs/dbraw/zinc/01/43/76/475014376.db2.gz FIVQBXANZDSYSO-HKUYNNGSSA-N 1 0 327.424 2.794 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1O ZINC000273711371 475022193 /nfs/dbraw/zinc/02/21/93/475022193.db2.gz GHCOEUACMJJQFP-OAHLLOKOSA-N 1 0 339.794 2.887 20 10 EFCDRO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000293620893 475043652 /nfs/dbraw/zinc/04/36/52/475043652.db2.gz HBTHGHLSZJRZCT-CQSZACIVSA-N 1 0 348.468 2.768 20 10 EFCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(C)ccc2O)s1 ZINC000280744009 475046781 /nfs/dbraw/zinc/04/67/81/475046781.db2.gz ZZSMQVBCORUKAC-UHFFFAOYSA-N 1 0 325.455 2.846 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccc(N2CCCCC2)cc1 ZINC000280769114 475049052 /nfs/dbraw/zinc/04/90/52/475049052.db2.gz FYWXPBGYRKMDTR-CYBMUJFWSA-N 1 0 325.403 2.709 20 10 EFCDRO CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000286017002 475049382 /nfs/dbraw/zinc/04/93/82/475049382.db2.gz IKVSKYKSPFFJED-OKZBNKHCSA-N 1 0 336.451 2.950 20 10 EFCDRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000268887323 475052648 /nfs/dbraw/zinc/05/26/48/475052648.db2.gz ZCMWSWIDAOITMO-LZJOCLMNSA-N 1 0 345.531 2.714 20 10 EFCDRO C[C@H]([NH2+]CCN1CC=CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000280958486 475059459 /nfs/dbraw/zinc/05/94/59/475059459.db2.gz KGLALWDXMMBBIT-INIZCTEOSA-N 1 0 333.451 2.575 20 10 EFCDRO CN(CCC[NH+]1CCCC1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000280984467 475061404 /nfs/dbraw/zinc/06/14/04/475061404.db2.gz IONPEAPTTLJQGQ-UHFFFAOYSA-N 1 0 344.503 2.696 20 10 EFCDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(C)ccc3O)CC2)c1 ZINC000294768190 475081567 /nfs/dbraw/zinc/08/15/67/475081567.db2.gz JWVPJNMDIXIULG-UHFFFAOYSA-N 1 0 343.427 2.911 20 10 EFCDRO COCC[N@H+](CCO)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294849753 475087361 /nfs/dbraw/zinc/08/73/61/475087361.db2.gz OSNFZVDNQCPXJX-UHFFFAOYSA-N 1 0 334.485 2.825 20 10 EFCDRO Fc1cc(C[NH2+][C@H]2CCOC3(CCC3)C2)ccc1N1CCOCC1 ZINC000268949804 475088284 /nfs/dbraw/zinc/08/82/84/475088284.db2.gz CWPOBFZTROKQOG-INIZCTEOSA-N 1 0 334.435 2.854 20 10 EFCDRO CC[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)NC(=O)OC(C)(C)C ZINC000294979734 475095355 /nfs/dbraw/zinc/09/53/55/475095355.db2.gz GKVBFOPOBQQQFI-LBPRGKRZSA-N 1 0 338.404 2.514 20 10 EFCDRO C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268961083 475096280 /nfs/dbraw/zinc/09/62/80/475096280.db2.gz XISOEQYIGBDJJJ-WMZOPIPTSA-N 1 0 348.510 2.712 20 10 EFCDRO COC1CCN(c2ccc(C[N@H+](C)C[C@H]3CCC[C@@H]3O)cc2)CC1 ZINC000295028529 475098987 /nfs/dbraw/zinc/09/89/87/475098987.db2.gz VJSRWTWGHQJJCC-XLIONFOSSA-N 1 0 332.488 2.895 20 10 EFCDRO C[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)C[N@@H+]1Cc1ccccc1 ZINC000295164210 475109761 /nfs/dbraw/zinc/10/97/61/475109761.db2.gz QWKIQPUWHNRRSW-OCCSQVGLSA-N 1 0 344.386 2.630 20 10 EFCDRO C[C@@H]([NH2+]CCc1ccncc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000269042748 475143424 /nfs/dbraw/zinc/14/34/24/475143424.db2.gz XNCXDCGGPBNSQM-OAHLLOKOSA-N 1 0 329.419 2.951 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000281282953 475150645 /nfs/dbraw/zinc/15/06/45/475150645.db2.gz ZJEJFYWXTWTJHV-HNNXBMFYSA-N 1 0 340.423 2.886 20 10 EFCDRO C[C@@H]1[C@H](NC(=O)NCc2ccccc2O)CC[N@@H+]1Cc1ccccc1 ZINC000287452653 475153307 /nfs/dbraw/zinc/15/33/07/475153307.db2.gz IEAOOZRQTUZKCW-CRAIPNDOSA-N 1 0 339.439 2.854 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(F)ccc1O ZINC000287457606 475157253 /nfs/dbraw/zinc/15/72/53/475157253.db2.gz LSLQMALQWCJCCJ-ZFWWWQNUSA-N 1 0 335.423 2.862 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(F)ccc1O ZINC000287457592 475157290 /nfs/dbraw/zinc/15/72/90/475157290.db2.gz LSLQMALQWCJCCJ-DZGCQCFKSA-N 1 0 335.423 2.862 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(F)ccc1O ZINC000287457596 475157514 /nfs/dbraw/zinc/15/75/14/475157514.db2.gz LSLQMALQWCJCCJ-HIFRSBDPSA-N 1 0 335.423 2.862 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000287563215 475197279 /nfs/dbraw/zinc/19/72/79/475197279.db2.gz QGGSZDJCPLGYGQ-LSDHHAIUSA-N 1 0 347.459 2.732 20 10 EFCDRO CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287572428 475199778 /nfs/dbraw/zinc/19/97/78/475199778.db2.gz GWQUXZRHCNYWNB-PBHICJAKSA-N 1 0 339.911 2.970 20 10 EFCDRO CC[NH+]1CCC(NC(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000349168826 475913425 /nfs/dbraw/zinc/91/34/25/475913425.db2.gz RUQBWULNTWPJBE-UHFFFAOYSA-N 1 0 328.460 2.770 20 10 EFCDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000349461837 475974041 /nfs/dbraw/zinc/97/40/41/475974041.db2.gz OQHADHJRFPWPCQ-OAHLLOKOSA-N 1 0 328.460 2.770 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000350057988 476039773 /nfs/dbraw/zinc/03/97/73/476039773.db2.gz BWXCCIDFYPKUMI-HNNXBMFYSA-N 1 0 328.460 2.580 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000350060213 476040062 /nfs/dbraw/zinc/04/00/62/476040062.db2.gz PXDDPVXHNUXHLZ-INIZCTEOSA-N 1 0 338.455 2.642 20 10 EFCDRO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000343825657 476118460 /nfs/dbraw/zinc/11/84/60/476118460.db2.gz MBDUCFGJIHRUSE-UHFFFAOYSA-N 1 0 345.487 2.976 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000369581631 476428002 /nfs/dbraw/zinc/42/80/02/476428002.db2.gz FJEQQUVLNJDOAN-LJQANCHMSA-N 1 0 342.487 2.667 20 10 EFCDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000373929780 476442140 /nfs/dbraw/zinc/44/21/40/476442140.db2.gz RYAWIQXISFLZJB-DLBZAZTESA-N 1 0 338.455 2.846 20 10 EFCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1C ZINC000374257941 476464688 /nfs/dbraw/zinc/46/46/88/476464688.db2.gz SOSXMBSKXXGZSV-PKOBYXMFSA-N 1 0 329.444 2.831 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000377622805 476482137 /nfs/dbraw/zinc/48/21/37/476482137.db2.gz IIQTYMYIYCWHCP-DLBZAZTESA-N 1 0 331.460 2.941 20 10 EFCDRO CC[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(N(C)C)cc1 ZINC000374574037 476489653 /nfs/dbraw/zinc/48/96/53/476489653.db2.gz FIPQUGLRFBOKEB-APWZRJJASA-N 1 0 327.476 2.806 20 10 EFCDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000377681901 476517516 /nfs/dbraw/zinc/51/75/16/476517516.db2.gz XJKJBTUHMLLXMC-ZDUSSCGKSA-N 1 0 337.725 2.973 20 10 EFCDRO CN1CCC([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000370110786 476670882 /nfs/dbraw/zinc/67/08/82/476670882.db2.gz JFLNXLYWBHNCHG-KRWDZBQOSA-N 1 0 337.895 2.694 20 10 EFCDRO Nc1ccc(CC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000370763437 476973146 /nfs/dbraw/zinc/97/31/46/476973146.db2.gz KTUCPMDOPUGHNQ-IBGZPJMESA-N 1 0 337.467 2.840 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c1 ZINC000371372859 477272349 /nfs/dbraw/zinc/27/23/49/477272349.db2.gz IIXXTROTLCFOJJ-INIZCTEOSA-N 1 0 332.444 2.768 20 10 EFCDRO CN(C)c1ccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1F ZINC000371469980 477338340 /nfs/dbraw/zinc/33/83/40/477338340.db2.gz HSVQXDUXNMXPKW-KFKAGJAMSA-N 1 0 335.467 2.575 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418098152 477465351 /nfs/dbraw/zinc/46/53/51/477465351.db2.gz LBQLRSOVISICFR-CABCVRRESA-N 1 0 326.444 2.523 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000418098197 477465587 /nfs/dbraw/zinc/46/55/87/477465587.db2.gz LDWAHHINYWHTRD-UHFFFAOYSA-N 1 0 328.460 2.676 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418100819 477465603 /nfs/dbraw/zinc/46/56/03/477465603.db2.gz QMJLFFDUGPADOA-HNNXBMFYSA-N 1 0 326.444 2.523 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418092552 477466107 /nfs/dbraw/zinc/46/61/07/477466107.db2.gz ALNZQQYBGHAGNY-OAHLLOKOSA-N 1 0 328.460 2.818 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c1 ZINC000371834256 477518251 /nfs/dbraw/zinc/51/82/51/477518251.db2.gz IJQBEXLMWOCDKV-JCGIZDLHSA-N 1 0 334.460 2.695 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H](CCO)c3ccco3)CC2)cc1 ZINC000376882090 477547011 /nfs/dbraw/zinc/54/70/11/477547011.db2.gz NDARXLQVSWNXSX-SFHVURJKSA-N 1 0 330.428 2.970 20 10 EFCDRO CCOc1cccc(C[NH2+][C@H]2CCCc3cn(CCOC)nc32)c1O ZINC000368084663 477783610 /nfs/dbraw/zinc/78/36/10/477783610.db2.gz HIKHZNDSUXJXBV-INIZCTEOSA-N 1 0 345.443 2.801 20 10 EFCDRO CCOc1cccc(C[NH2+][C@@H]2CCCc3cn(CCOC)nc32)c1O ZINC000368084664 477784152 /nfs/dbraw/zinc/78/41/52/477784152.db2.gz HIKHZNDSUXJXBV-MRXNPFEDSA-N 1 0 345.443 2.801 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2c(O)ccc3ccc(OC)cc32)CCO1 ZINC000530107175 477877228 /nfs/dbraw/zinc/87/72/28/477877228.db2.gz QBMHSCKHSYRKDY-INIZCTEOSA-N 1 0 331.412 2.791 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000472221148 478012063 /nfs/dbraw/zinc/01/20/63/478012063.db2.gz MLIYUAMEMZNOCG-HNAYVOBHSA-N 1 0 340.471 2.722 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000471972038 478012678 /nfs/dbraw/zinc/01/26/78/478012678.db2.gz DNYNESHATNYWJF-ZFWWWQNUSA-N 1 0 328.460 2.769 20 10 EFCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000472228761 478012831 /nfs/dbraw/zinc/01/28/31/478012831.db2.gz GHAAXNJNCPULPV-MRXNPFEDSA-N 1 0 342.487 2.970 20 10 EFCDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000472228760 478013311 /nfs/dbraw/zinc/01/33/11/478013311.db2.gz GHAAXNJNCPULPV-INIZCTEOSA-N 1 0 342.487 2.970 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[NH2+]C3(C)C)ccc21 ZINC000573454060 479072077 /nfs/dbraw/zinc/07/20/77/479072077.db2.gz GCRNFSMHAJCTLW-GOSISDBHSA-N 1 0 343.471 2.775 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[NH2+][C@@H](C)[C@H]3C)ccc21 ZINC000566627259 479094599 /nfs/dbraw/zinc/09/45/99/479094599.db2.gz MOXAJIMOYAXIJS-GOEBONIOSA-N 1 0 343.471 2.727 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N(C)CC(C)(C)C[NH3+])ccc21 ZINC000569014526 479134554 /nfs/dbraw/zinc/13/45/54/479134554.db2.gz VBEDJHCKBZXJBT-UHFFFAOYSA-N 1 0 345.487 2.961 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[NH2+][C@H](C)C3)ccc21 ZINC000574049611 479206242 /nfs/dbraw/zinc/20/62/42/479206242.db2.gz JVOLYWKUOWMYSQ-DYVFJYSZSA-N 1 0 343.471 2.775 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+][C@]2(CO)COc3ccccc3C2)c1O ZINC000529640941 479232382 /nfs/dbraw/zinc/23/23/82/479232382.db2.gz ADNIVLNWLOSUNP-GOSISDBHSA-N 1 0 349.814 2.510 20 10 EFCDRO C[NH2+]CCCN(C)C(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC000653164339 481120762 /nfs/dbraw/zinc/12/07/62/481120762.db2.gz AZICPHNEPVWEBY-UHFFFAOYSA-N 1 0 343.471 2.597 20 10 EFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1O ZINC000177100820 527206698 /nfs/dbraw/zinc/20/66/98/527206698.db2.gz ISTZNQLEVNBNIE-GFCCVEGCSA-N 1 0 339.819 2.833 20 10 EFCDRO CCCC[N@H+](Cc1cc(OCC)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000160786371 528441004 /nfs/dbraw/zinc/44/10/04/528441004.db2.gz VLQBKUKXLHMVED-OAHLLOKOSA-N 1 0 341.473 2.580 20 10 EFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCC(=O)NC)cc1 ZINC000161811282 528830925 /nfs/dbraw/zinc/83/09/25/528830925.db2.gz ODAROAAPMYNORX-UHFFFAOYSA-N 1 0 325.456 2.939 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C)C3CC3)cc2F)CC1 ZINC000171702963 529153036 /nfs/dbraw/zinc/15/30/36/529153036.db2.gz ADTTWLQUCAPIFR-CQSZACIVSA-N 1 0 348.466 2.565 20 10 EFCDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cccc(O)c1O ZINC000193139513 535523764 /nfs/dbraw/zinc/52/37/64/535523764.db2.gz ZZTONOGNUCJUBV-UHFFFAOYSA-N 1 0 348.365 2.834 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+]CC(=O)N2CCCc3ccccc32)c1 ZINC000237069571 535751656 /nfs/dbraw/zinc/75/16/56/535751656.db2.gz NYVUGQVKGPBQFN-UHFFFAOYSA-N 1 0 340.423 2.860 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccccc2Cn2cncn2)c1 ZINC000263671367 535752072 /nfs/dbraw/zinc/75/20/72/535752072.db2.gz JUDRCMQSSXJCEH-UHFFFAOYSA-N 1 0 338.411 2.721 20 10 EFCDRO CN(Cc1cccs1)c1ccc(CNC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000295673408 535974102 /nfs/dbraw/zinc/97/41/02/535974102.db2.gz KJGIDDMZGNCBSU-LJQANCHMSA-N 1 0 347.528 2.787 20 10 EFCDRO COC[C@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H](C)O1 ZINC000296035636 536587084 /nfs/dbraw/zinc/58/70/84/536587084.db2.gz PKXVTMATCQLTLJ-OXJNMPFZSA-N 1 0 348.487 2.538 20 10 EFCDRO COc1ccc(N2CCC[N@H+](C[C@H](O)Cc3ccccc3)CC2)cc1 ZINC000193705415 536671338 /nfs/dbraw/zinc/67/13/38/536671338.db2.gz WLQVNBWZWJKVFI-HXUWFJFHSA-N 1 0 340.467 2.811 20 10 EFCDRO COc1ccc(N2CCC[N@H+](Cc3cccnc3OC)CC2)cc1 ZINC000193314633 536672952 /nfs/dbraw/zinc/67/29/52/536672952.db2.gz GLMBZIPNCSTOAG-UHFFFAOYSA-N 1 0 327.428 2.811 20 10 EFCDRO COC1CCN(c2ccc(CN3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000295634975 536755765 /nfs/dbraw/zinc/75/57/65/536755765.db2.gz XTTXWIJROQVBKT-UHFFFAOYSA-N 1 0 343.515 2.829 20 10 EFCDRO COC1CCN(c2ccc(CN3CC[NH+](C4CCC4)CC3)cc2)CC1 ZINC000297639497 536755996 /nfs/dbraw/zinc/75/59/96/536755996.db2.gz XSUYEQABYKVJIV-UHFFFAOYSA-N 1 0 343.515 2.972 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@H]2CCc3ccccc3OC2)cc1OC ZINC000367350183 536855892 /nfs/dbraw/zinc/85/58/92/536855892.db2.gz SNEMDOLCXYVEBO-HNNXBMFYSA-N 1 0 329.396 2.893 20 10 EFCDRO COc1c(O)c(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000365125341 536861814 /nfs/dbraw/zinc/86/18/14/536861814.db2.gz ZRXZONJZRCOJJP-CQSZACIVSA-N 1 0 336.388 2.700 20 10 EFCDRO COc1c(O)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000290886615 536862186 /nfs/dbraw/zinc/86/21/86/536862186.db2.gz LBXYCRBHMVMBNT-WMLDXEAASA-N 1 0 348.399 2.843 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000373570464 546149557 /nfs/dbraw/zinc/14/95/57/546149557.db2.gz WAVQFWPSNSZIGE-UHFFFAOYSA-N 1 0 330.472 2.916 20 10 EFCDRO Cc1cc(CC(=O)NCC[NH+](C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000755702628 575620847 /nfs/dbraw/zinc/62/08/47/575620847.db2.gz DYWRDORXUUQZKF-UHFFFAOYSA-N 1 0 333.863 2.968 20 10 EFCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)c1 ZINC000756148953 575693180 /nfs/dbraw/zinc/69/31/80/575693180.db2.gz IGEFGQZVZKZCBA-HNNXBMFYSA-N 1 0 332.350 2.874 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cncn3)nc2)c2c1c(F)ccc2O ZINC000756430979 575738182 /nfs/dbraw/zinc/73/81/82/575738182.db2.gz LISXHADYMCIJRB-RISCZKNCSA-N 1 0 339.374 2.845 20 10 EFCDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000756443828 575740699 /nfs/dbraw/zinc/74/06/99/575740699.db2.gz JAKVWHWYHCGIAD-CQSZACIVSA-N 1 0 348.468 2.601 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c2cnn3CCO)c2c1c(F)ccc2O ZINC000756459904 575742623 /nfs/dbraw/zinc/74/26/23/575742623.db2.gz QBQACAXAQITHQO-DFBGVHRSSA-N 1 0 345.418 2.936 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756459912 575742681 /nfs/dbraw/zinc/74/26/81/575742681.db2.gz QECCXDGDHRYRHZ-GHMZBOCLSA-N 1 0 333.259 2.806 20 10 EFCDRO C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(Br)ccc1O ZINC000756533044 575756155 /nfs/dbraw/zinc/75/61/55/575756155.db2.gz HNYJTIQITCEFIR-NEPJUHHUSA-N 1 0 343.265 2.526 20 10 EFCDRO C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc(Br)cc1O ZINC000756546528 575758831 /nfs/dbraw/zinc/75/88/31/575758831.db2.gz RFUDHJRJBQOQHU-NEPJUHHUSA-N 1 0 343.265 2.526 20 10 EFCDRO C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(Br)cc1O ZINC000756546530 575758877 /nfs/dbraw/zinc/75/88/77/575758877.db2.gz RFUDHJRJBQOQHU-NWDGAFQWSA-N 1 0 343.265 2.526 20 10 EFCDRO C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc(Br)cc1O ZINC000756546533 575759020 /nfs/dbraw/zinc/75/90/20/575759020.db2.gz RFUDHJRJBQOQHU-VXGBXAGGSA-N 1 0 343.265 2.526 20 10 EFCDRO C[C@H]([NH2+]CC(=O)NC1CCCC1)c1cc(Br)ccc1O ZINC000756706941 575779124 /nfs/dbraw/zinc/77/91/24/575779124.db2.gz RFVMMGQEOIAUIY-JTQLQIEISA-N 1 0 341.249 2.864 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c1 ZINC000756741121 575783167 /nfs/dbraw/zinc/78/31/67/575783167.db2.gz CZGPAWWAKHCTDK-GFCCVEGCSA-N 1 0 347.436 2.581 20 10 EFCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1ccc(Br)cc1O ZINC000756756976 575784274 /nfs/dbraw/zinc/78/42/74/575784274.db2.gz BDLQHRRAMSGUNN-ZIBATOQPSA-N 1 0 343.265 2.524 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000756763776 575785187 /nfs/dbraw/zinc/78/51/87/575785187.db2.gz YSLYNQLPNBJQJZ-SUMWQHHRSA-N 1 0 332.444 2.985 20 10 EFCDRO CCOc1ccc(N(CC)CC(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000756824613 575789711 /nfs/dbraw/zinc/78/97/11/575789711.db2.gz WGUGPCBHRKWENA-UHFFFAOYSA-N 1 0 333.476 2.512 20 10 EFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CN1C[C@]2(CCOC2)CC1=O ZINC000756849572 575792008 /nfs/dbraw/zinc/79/20/08/575792008.db2.gz UHBJSPGAEOTFCE-FQEVSTJZSA-N 1 0 345.487 2.560 20 10 EFCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000757628529 575846161 /nfs/dbraw/zinc/84/61/61/575846161.db2.gz YHDKOQKMZAQWLU-BEFAXECRSA-N 1 0 342.487 2.569 20 10 EFCDRO C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000757657927 575847992 /nfs/dbraw/zinc/84/79/92/575847992.db2.gz UHGCRAULODOZCX-CZUORRHYSA-N 1 0 337.485 2.889 20 10 EFCDRO CN(C)c1ccc(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)cc1F ZINC000757694602 575850285 /nfs/dbraw/zinc/85/02/85/575850285.db2.gz WJMCOXKWIRMVEL-UHFFFAOYSA-N 1 0 348.443 2.511 20 10 EFCDRO NC(=O)[C@@H](C[NH2+]Cc1cc(F)ccc1O)Cc1ccccc1Cl ZINC000757908034 575855584 /nfs/dbraw/zinc/85/55/84/575855584.db2.gz XNEONAKWFUWSMD-CYBMUJFWSA-N 1 0 336.794 2.619 20 10 EFCDRO CC[NH+](CC)CCOCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000757944290 575856436 /nfs/dbraw/zinc/85/64/36/575856436.db2.gz AUYLMHVYBBXYCF-UHFFFAOYSA-N 1 0 345.281 2.603 20 10 EFCDRO C[N@H+](Cc1c(O)ccc2cc(Br)ccc21)[C@@H]1CCNC1=O ZINC000758411072 575869109 /nfs/dbraw/zinc/86/91/09/575869109.db2.gz ZEERSMVLJIDRBN-CQSZACIVSA-N 1 0 349.228 2.628 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000758502154 575871018 /nfs/dbraw/zinc/87/10/18/575871018.db2.gz JTYBYDKFXBBGSN-MRXNPFEDSA-N 1 0 346.519 2.933 20 10 EFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000758773317 575877353 /nfs/dbraw/zinc/87/73/53/575877353.db2.gz DIMSTYUVCQEOFO-KRWDZBQOSA-N 1 0 332.492 2.735 20 10 EFCDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCCCSc1nccs1 ZINC000759569331 575902494 /nfs/dbraw/zinc/90/24/94/575902494.db2.gz JTRJNSVNRKCCRA-GFCCVEGCSA-N 1 0 330.523 2.655 20 10 EFCDRO C[N@H+](CCCCS(C)(=O)=O)Cc1ccc(N2CCCCC2)cc1 ZINC000759688244 575921618 /nfs/dbraw/zinc/92/16/18/575921618.db2.gz GFRYZEVYJNRBON-UHFFFAOYSA-N 1 0 338.517 2.934 20 10 EFCDRO CN(C)c1ccc(C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C2CC2)cc1 ZINC000760816513 576077310 /nfs/dbraw/zinc/07/73/10/576077310.db2.gz GODQGKCLNLJMBP-MRXNPFEDSA-N 1 0 336.501 2.542 20 10 EFCDRO COc1ccc(O)c(CN(C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000761222032 576131952 /nfs/dbraw/zinc/13/19/52/576131952.db2.gz HKQNCPXQPMEMAL-UHFFFAOYSA-N 1 0 330.428 2.978 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)c1 ZINC000761226398 576132823 /nfs/dbraw/zinc/13/28/23/576132823.db2.gz QVNVOKMQPVEHEP-UHFFFAOYSA-N 1 0 332.444 2.624 20 10 EFCDRO COc1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC000762918932 576346890 /nfs/dbraw/zinc/34/68/90/576346890.db2.gz QNDQPZANECLYMM-UHFFFAOYSA-N 1 0 327.428 2.559 20 10 EFCDRO COc1ccc(O)c(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1 ZINC000763444504 576377670 /nfs/dbraw/zinc/37/76/70/576377670.db2.gz PDAJXUWEVKZEMU-HKUYNNGSSA-N 1 0 331.387 2.796 20 10 EFCDRO CO[C@@]1(C[NH2+][C@@H](C)c2cc(Br)ccc2O)CCOC1 ZINC000763573230 576381542 /nfs/dbraw/zinc/38/15/42/576381542.db2.gz QVVBOQPRASDKKI-IINYFYTJSA-N 1 0 330.222 2.611 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000764850058 576511781 /nfs/dbraw/zinc/51/17/81/576511781.db2.gz JZVDLKXYHVRQIX-ZFWWWQNUSA-N 1 0 347.459 2.778 20 10 EFCDRO COC[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 ZINC000765128960 577010276 /nfs/dbraw/zinc/01/02/76/577010276.db2.gz YXCXSVXDRSHJDW-QWQRMKEZSA-N 1 0 336.451 2.954 20 10 EFCDRO COC[C@H](CC(C)C)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765244487 577022867 /nfs/dbraw/zinc/02/28/67/577022867.db2.gz MZRCDOPEDNICTM-MSOLQXFVSA-N 1 0 347.503 2.539 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccoc1 ZINC000765252896 577023274 /nfs/dbraw/zinc/02/32/74/577023274.db2.gz JWBPNUJHADBPSR-ZBFHGGJFSA-N 1 0 327.428 2.832 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cncs1 ZINC000765256538 577023904 /nfs/dbraw/zinc/02/39/04/577023904.db2.gz UKXCIQWBWIPWJT-HIFRSBDPSA-N 1 0 344.484 2.696 20 10 EFCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CC1 ZINC000765256669 577024028 /nfs/dbraw/zinc/02/40/28/577024028.db2.gz VPWUVNWGGKZMRA-HKUYNNGSSA-N 1 0 329.488 2.913 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000765287990 577027720 /nfs/dbraw/zinc/02/77/20/577027720.db2.gz ITKVLLYLMVOFHM-KDOFPFPSSA-N 1 0 332.419 2.982 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CCOCC1 ZINC000765288197 577027827 /nfs/dbraw/zinc/02/78/27/577027827.db2.gz WHTWTWNJVSZION-AWEZNQCLSA-N 1 0 336.451 2.692 20 10 EFCDRO C[C@@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000765309500 577030908 /nfs/dbraw/zinc/03/09/08/577030908.db2.gz DXLPHJGGAKATGN-CQSZACIVSA-N 1 0 329.419 2.972 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3ccoc3)CC2)cc1 ZINC000765403070 577038516 /nfs/dbraw/zinc/03/85/16/577038516.db2.gz QNAVJRQVDBYRRO-INIZCTEOSA-N 1 0 329.444 2.761 20 10 EFCDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000765403092 577038585 /nfs/dbraw/zinc/03/85/85/577038585.db2.gz QYHABHFPEKCZPW-XLIONFOSSA-N 1 0 331.504 2.986 20 10 EFCDRO C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765435695 577041914 /nfs/dbraw/zinc/04/19/14/577041914.db2.gz ASAMHRXLKSFEHO-GJZGRUSLSA-N 1 0 344.434 2.734 20 10 EFCDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1C ZINC000765660974 577063783 /nfs/dbraw/zinc/06/37/83/577063783.db2.gz WQBIKBXXXUKJMH-IAGOWNOFSA-N 1 0 344.503 2.911 20 10 EFCDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1cccc(Br)c1O ZINC000765770885 577074726 /nfs/dbraw/zinc/07/47/26/577074726.db2.gz RUZCMJSARLUVQO-PHIMTYICSA-N 1 0 341.249 2.644 20 10 EFCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)N(C)C ZINC000765774313 577075339 /nfs/dbraw/zinc/07/53/39/577075339.db2.gz IMPOMZAKLSLWRH-KGLIPLIRSA-N 1 0 325.884 2.777 20 10 EFCDRO CC1(C)CCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978028 577094365 /nfs/dbraw/zinc/09/43/65/577094365.db2.gz BKHZWDPXYUGOCV-QGZVFWFLSA-N 1 0 336.501 2.590 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)c3ccc(C)o3)CC2)cc1 ZINC000766136183 577113153 /nfs/dbraw/zinc/11/31/53/577113153.db2.gz BWFOIRUUWWUHRW-SFHVURJKSA-N 1 0 330.428 2.889 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]CC2(N3CCOCC3)CC2)cc1F ZINC000766221943 577123351 /nfs/dbraw/zinc/12/33/51/577123351.db2.gz CGPPQCCWWWDTDG-UHFFFAOYSA-N 1 0 335.467 2.626 20 10 EFCDRO C[C@@H]([NH2+]CCN1CCC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766270206 577129214 /nfs/dbraw/zinc/12/92/14/577129214.db2.gz PCSYMUFJZLKAIP-HZPDHXFCSA-N 1 0 335.467 2.797 20 10 EFCDRO C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766383281 577143012 /nfs/dbraw/zinc/14/30/12/577143012.db2.gz ROXQQIFMINANIS-CVEARBPZSA-N 1 0 335.467 2.655 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@@]3(N(C)C)CCSC3)CC2)cc1 ZINC000766437515 577149856 /nfs/dbraw/zinc/14/98/56/577149856.db2.gz CYWMDJBPSQQDLV-IBGZPJMESA-N 1 0 349.544 2.691 20 10 EFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](CO)[C@@H](C)c2ccccc2)c1O ZINC000766978038 577190550 /nfs/dbraw/zinc/19/05/50/577190550.db2.gz NJUCYTRBIUTYGJ-KPZWWZAWSA-N 1 0 331.387 2.988 20 10 EFCDRO CCC1(CC)C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCS1 ZINC000767017048 577192416 /nfs/dbraw/zinc/19/24/16/577192416.db2.gz SWMDXZUILFNXOZ-UHFFFAOYSA-N 1 0 349.544 2.976 20 10 EFCDRO OC[C@@H](C[NH2+]Cc1ccccc1O)Cc1cc(F)c(F)c(F)c1 ZINC000767710800 577229551 /nfs/dbraw/zinc/22/95/51/577229551.db2.gz IFQKWIVSKPBPMX-GFCCVEGCSA-N 1 0 325.330 2.750 20 10 EFCDRO Oc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC000767726585 577230604 /nfs/dbraw/zinc/23/06/04/577230604.db2.gz DTUXYKPEVYZLGC-IBGZPJMESA-N 1 0 338.451 2.876 20 10 EFCDRO CC1(C)CCCN(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000767737342 577231022 /nfs/dbraw/zinc/23/10/22/577231022.db2.gz HBLQEPDNPXMAHA-UHFFFAOYSA-N 1 0 331.504 2.735 20 10 EFCDRO CCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)c(O)c1 ZINC000725850204 577249989 /nfs/dbraw/zinc/24/99/89/577249989.db2.gz QPBQMKUPKROSGS-GOSISDBHSA-N 1 0 340.423 2.682 20 10 EFCDRO O=C(COc1ccccc1C[NH2+]Cc1ccccc1O)N1CCCC1 ZINC000725851358 577250633 /nfs/dbraw/zinc/25/06/33/577250633.db2.gz NQFXDYHQBSOZST-UHFFFAOYSA-N 1 0 340.423 2.683 20 10 EFCDRO COCCN1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000768219665 577261257 /nfs/dbraw/zinc/26/12/57/577261257.db2.gz MQFATDYPSJRMRX-UHFFFAOYSA-N 1 0 326.440 2.823 20 10 EFCDRO COc1cccc(O)c1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000768216213 577261271 /nfs/dbraw/zinc/26/12/71/577261271.db2.gz RHMQDJWBMQYEBU-UHFFFAOYSA-N 1 0 326.440 2.761 20 10 EFCDRO CN(C)c1ccc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1F ZINC000768252136 577263091 /nfs/dbraw/zinc/26/30/91/577263091.db2.gz XYAUDASKQBQZKG-QGZVFWFLSA-N 1 0 335.467 2.578 20 10 EFCDRO CCOc1ccc(C[NH+]2CCN(c3nc(C)cs3)CC2)c(O)c1 ZINC000768301895 577265108 /nfs/dbraw/zinc/26/51/08/577265108.db2.gz AKGIIJKCQVHIHN-UHFFFAOYSA-N 1 0 333.457 2.878 20 10 EFCDRO C[N@H+](CCOc1ccc(Cl)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768437818 577273357 /nfs/dbraw/zinc/27/33/57/577273357.db2.gz JOVSXOCTTGBBLC-KRWDZBQOSA-N 1 0 349.814 2.982 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)cc1 ZINC000768440783 577273781 /nfs/dbraw/zinc/27/37/81/577273781.db2.gz DRNNMJQXZKKSCH-SFHVURJKSA-N 1 0 328.412 2.516 20 10 EFCDRO COc1ccccc1OCC[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000768444319 577274031 /nfs/dbraw/zinc/27/40/31/577274031.db2.gz XLKYUJLHSQDPJH-UHFFFAOYSA-N 1 0 347.411 2.929 20 10 EFCDRO C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C[C@H]1OCCc2ccccc21 ZINC000768444668 577274051 /nfs/dbraw/zinc/27/40/51/577274051.db2.gz NGCDLVRVHPRSRC-UYAOXDASSA-N 1 0 341.407 2.564 20 10 EFCDRO COc1ccc([C@@H]2CC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)cc1 ZINC000768444722 577274149 /nfs/dbraw/zinc/27/41/49/577274149.db2.gz NVCZIHITRSMBDF-KUHUBIRLSA-N 1 0 341.407 2.816 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c(O)cc1C ZINC000768445722 577274452 /nfs/dbraw/zinc/27/44/52/577274452.db2.gz GSIDKSGJQOLWSJ-MRXNPFEDSA-N 1 0 332.444 2.686 20 10 EFCDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462500 577275562 /nfs/dbraw/zinc/27/55/62/577275562.db2.gz MCJVXRWQSKAXCY-BPQIPLTHSA-N 1 0 335.444 2.844 20 10 EFCDRO COC(=O)CCC1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000768464238 577275933 /nfs/dbraw/zinc/27/59/33/577275933.db2.gz OXYXOMHONYAOAB-UHFFFAOYSA-N 1 0 337.416 2.575 20 10 EFCDRO C[C@]1(c2ccccc2)C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000768462727 577275936 /nfs/dbraw/zinc/27/59/36/577275936.db2.gz CFSJHFKWWIYWHK-UYAOXDASSA-N 1 0 341.407 2.566 20 10 EFCDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OC[C@@H]3O)n1 ZINC000768463656 577275973 /nfs/dbraw/zinc/27/59/73/577275973.db2.gz VNZMXCBUOVBQMA-AEFFLSMTSA-N 1 0 326.396 2.859 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000768531379 577281064 /nfs/dbraw/zinc/28/10/64/577281064.db2.gz CZIQHHVEJPSPIT-HNNXBMFYSA-N 1 0 333.350 2.926 20 10 EFCDRO COc1cccc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c1O ZINC000768534105 577281334 /nfs/dbraw/zinc/28/13/34/577281334.db2.gz ZXWKKADNNIBPKA-HNNXBMFYSA-N 1 0 333.350 2.926 20 10 EFCDRO C[C@@H](Cn1cccn1)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768689510 577295216 /nfs/dbraw/zinc/29/52/16/577295216.db2.gz HZRMADAOIOLBDA-YOEHRIQHSA-N 1 0 348.878 2.885 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@H](CO)Cc3ccco3)CC2)cc1 ZINC000768840511 577308146 /nfs/dbraw/zinc/30/81/46/577308146.db2.gz FQAQNOLEPIBYQS-MRXNPFEDSA-N 1 0 344.455 2.698 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000768867109 577311618 /nfs/dbraw/zinc/31/16/18/577311618.db2.gz BDWVHDZFDAGEAL-OAHLLOKOSA-N 1 0 346.471 2.871 20 10 EFCDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768880795 577313522 /nfs/dbraw/zinc/31/35/22/577313522.db2.gz IHIQEEGLYYNXDX-AWEZNQCLSA-N 1 0 349.431 2.826 20 10 EFCDRO CCCCN(C)C(=O)C1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000768919128 577316345 /nfs/dbraw/zinc/31/63/45/577316345.db2.gz QEUCAVJMWSKKBL-UHFFFAOYSA-N 1 0 334.460 2.871 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c(O)c1 ZINC000769106983 577334773 /nfs/dbraw/zinc/33/47/73/577334773.db2.gz HZVVLEJCRLUIDA-XYJFISCASA-N 1 0 348.487 2.865 20 10 EFCDRO C[N@H+](CCOC(=O)/C=C/c1ccc(O)c(O)c1)Cc1ccc(F)cc1 ZINC000769118622 577336583 /nfs/dbraw/zinc/33/65/83/577336583.db2.gz XRRFDHNQDAYMEU-WEVVVXLNSA-N 1 0 345.370 2.925 20 10 EFCDRO CCOC(=O)N(C)C1CC[NH+](Cc2ccc(OCC)cc2O)CC1 ZINC000769309285 577351031 /nfs/dbraw/zinc/35/10/31/577351031.db2.gz LEQXOEXTZTUPIR-UHFFFAOYSA-N 1 0 336.432 2.844 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000769328482 577352458 /nfs/dbraw/zinc/35/24/58/577352458.db2.gz PUCRXZORVNAIPP-VQTJNVASSA-N 1 0 331.504 2.564 20 10 EFCDRO CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000726244408 577357500 /nfs/dbraw/zinc/35/75/00/577357500.db2.gz HSZHOOSKEVQLHU-HNNXBMFYSA-N 1 0 332.492 2.599 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000769388532 577357922 /nfs/dbraw/zinc/35/79/22/577357922.db2.gz SORMZBHMTOXISD-AWEZNQCLSA-N 1 0 334.460 2.775 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH+](C(C)(C)CO)CC2)cc1F ZINC000769444651 577362572 /nfs/dbraw/zinc/36/25/72/577362572.db2.gz AVDXNZHYJQQHOB-UHFFFAOYSA-N 1 0 337.483 2.560 20 10 EFCDRO CC1(O)CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000769447021 577362733 /nfs/dbraw/zinc/36/27/33/577362733.db2.gz QCGWKPNRSFAYAP-UHFFFAOYSA-N 1 0 333.432 2.932 20 10 EFCDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000769467821 577364691 /nfs/dbraw/zinc/36/46/91/577364691.db2.gz ZKYKMBSOYZPHSJ-HZPDHXFCSA-N 1 0 335.467 2.577 20 10 EFCDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000769470633 577365047 /nfs/dbraw/zinc/36/50/47/577365047.db2.gz MLYQOMSBTQJHAE-AEFFLSMTSA-N 1 0 349.494 2.967 20 10 EFCDRO CCOc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c(O)c1 ZINC000769482888 577365971 /nfs/dbraw/zinc/36/59/71/577365971.db2.gz KPPRMSZOPWQYDF-RDJZCZTQSA-N 1 0 341.473 2.579 20 10 EFCDRO Cc1ccc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c(O)c1O ZINC000770469965 577420254 /nfs/dbraw/zinc/42/02/54/577420254.db2.gz ZCLKRHJEQGLAEY-QGZVFWFLSA-N 1 0 340.423 2.973 20 10 EFCDRO COCC[N@H+](C)CCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000726982985 577427367 /nfs/dbraw/zinc/42/73/67/577427367.db2.gz IWXIQXQCINELDS-UHFFFAOYSA-N 1 0 347.434 2.541 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000727069512 577432672 /nfs/dbraw/zinc/43/26/72/577432672.db2.gz YIWSDZYHBMNZRH-UHFFFAOYSA-N 1 0 336.549 2.647 20 10 EFCDRO COC(=O)c1ccc(N2CC[N@H+](Cc3ccccc3O)[C@@H](C)C2)cc1 ZINC000770510181 581104554 /nfs/dbraw/zinc/10/45/54/581104554.db2.gz LMVUNDVJMBPOED-HNNXBMFYSA-N 1 0 340.423 2.890 20 10 EFCDRO CN1C(=O)c2ccccc2N[C@H]1c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771522132 581220200 /nfs/dbraw/zinc/22/02/00/581220200.db2.gz ZHMJMFUCGUEEPE-LJQANCHMSA-N 1 0 336.439 2.635 20 10 EFCDRO CC[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OC(C)(C)C ZINC000771844922 581249860 /nfs/dbraw/zinc/24/98/60/581249860.db2.gz XUTDYQUUXIMMBW-GOSISDBHSA-N 1 0 347.503 2.648 20 10 EFCDRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771864200 581252033 /nfs/dbraw/zinc/25/20/33/581252033.db2.gz KIAAKVGCBMBWMP-QFBILLFUSA-N 1 0 343.471 2.633 20 10 EFCDRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771864198 581252134 /nfs/dbraw/zinc/25/21/34/581252134.db2.gz KIAAKVGCBMBWMP-LPHOPBHVSA-N 1 0 343.471 2.633 20 10 EFCDRO C[C@@H]([NH2+]CCn1cccn1)c1ccc(N2CCOCC2)cc1Cl ZINC000772954118 581383118 /nfs/dbraw/zinc/38/31/18/581383118.db2.gz WEIBYLODFJEDPP-CQSZACIVSA-N 1 0 334.851 2.724 20 10 EFCDRO C[C@H]([NH2+]CCn1cccn1)c1ccc(N2CCOCC2)cc1Cl ZINC000772954114 581383132 /nfs/dbraw/zinc/38/31/32/581383132.db2.gz WEIBYLODFJEDPP-AWEZNQCLSA-N 1 0 334.851 2.724 20 10 EFCDRO C[C@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000773136542 581400076 /nfs/dbraw/zinc/40/00/76/581400076.db2.gz IYHLHMVGBDUYKF-AWEZNQCLSA-N 1 0 330.476 2.740 20 10 EFCDRO C[C@H]([NH2+]CC1(C)OCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000773139040 581400191 /nfs/dbraw/zinc/40/01/91/581400191.db2.gz MMPHUXBEVFZBBC-ZDUSSCGKSA-N 1 0 340.851 2.590 20 10 EFCDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773360737 581423119 /nfs/dbraw/zinc/42/31/19/581423119.db2.gz GWRQKENZHWRICM-HZPDHXFCSA-N 1 0 332.492 2.987 20 10 EFCDRO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773365830 581423445 /nfs/dbraw/zinc/42/34/45/581423445.db2.gz ZYMJUCAYKMPDRC-HUUCEWRRSA-N 1 0 330.476 2.597 20 10 EFCDRO C[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)[NH+]1CCCCC1 ZINC000773366738 581423504 /nfs/dbraw/zinc/42/35/04/581423504.db2.gz GIZIZILPUAMPOR-HZPDHXFCSA-N 1 0 332.492 2.987 20 10 EFCDRO C[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[NH+]1CCCCC1 ZINC000773366737 581423507 /nfs/dbraw/zinc/42/35/07/581423507.db2.gz GIZIZILPUAMPOR-HOTGVXAUSA-N 1 0 332.492 2.987 20 10 EFCDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773369723 581423872 /nfs/dbraw/zinc/42/38/72/581423872.db2.gz XLYVQDSWJZVKEK-JKSUJKDBSA-N 1 0 332.492 2.843 20 10 EFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C[C@@H]1C ZINC000773616073 581450711 /nfs/dbraw/zinc/45/07/11/581450711.db2.gz HGNCQDUSHTXRQA-JYJNAYRXSA-N 1 0 332.492 2.938 20 10 EFCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000773848900 581469479 /nfs/dbraw/zinc/46/94/79/581469479.db2.gz PZMKNOQSUMGHAZ-AWEZNQCLSA-N 1 0 343.393 2.643 20 10 EFCDRO C[C@@H](NC(=S)NCC1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000774251585 581488065 /nfs/dbraw/zinc/48/80/65/581488065.db2.gz AMLDSHUNXVVCNI-CQSZACIVSA-N 1 0 334.533 2.620 20 10 EFCDRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000774487323 581492611 /nfs/dbraw/zinc/49/26/11/581492611.db2.gz ZDFOCOFONAJFOO-JSGCOSHPSA-N 1 0 343.475 2.781 20 10 EFCDRO Cc1ncc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)n1C ZINC000850034515 1250234913 /nfs/dbraw/zinc/23/49/13/1250234913.db2.gz LYNRNLRSAYRZAX-OKILXGFUSA-N 1 0 346.450 2.771 20 10 EFCDRO Cn1ncc(C2CC2)c1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000850034540 1250235069 /nfs/dbraw/zinc/23/50/69/1250235069.db2.gz NHCPSDGGZLQEBM-UHFFFAOYSA-N 1 0 344.434 2.563 20 10 EFCDRO COc1cc(C[NH2+]CCSCCCO)c(O)c(C(C)(C)C)c1 ZINC000850121704 1250295856 /nfs/dbraw/zinc/29/58/56/1250295856.db2.gz KNRPVWKHMOYOJT-UHFFFAOYSA-N 1 0 327.490 2.904 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNCc3nc(C)c(C)[nH]3)cc2F)CC1 ZINC000850127082 1250296175 /nfs/dbraw/zinc/29/61/75/1250296175.db2.gz TUDIDUBBUYQQGM-UHFFFAOYSA-N 1 0 345.466 2.597 20 10 EFCDRO COc1cc(C[NH2+]C[C@H](O)C2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850150797 1250316842 /nfs/dbraw/zinc/31/68/42/1250316842.db2.gz NHPDPTPPQZKRRO-KRWDZBQOSA-N 1 0 337.460 2.575 20 10 EFCDRO COc1cc(C[NH2+][C@@H](C)CO[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850180820 1250339740 /nfs/dbraw/zinc/33/97/40/1250339740.db2.gz IDVFOZCFTHXEAU-DZGCQCFKSA-N 1 0 337.460 2.982 20 10 EFCDRO CCC(=O)N1CC[C@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850189660 1250346994 /nfs/dbraw/zinc/34/69/94/1250346994.db2.gz IVZSDXQKCCZVOH-AWEZNQCLSA-N 1 0 334.460 2.799 20 10 EFCDRO COc1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(O)c(C(C)(C)C)c1 ZINC000850199567 1250349646 /nfs/dbraw/zinc/34/96/46/1250349646.db2.gz PFNNTZAZOZQFMK-UHFFFAOYSA-N 1 0 348.403 2.593 20 10 EFCDRO COc1cc(C[NH2+]Cc2ccnc(N(C)C)n2)c(O)c(C(C)(C)C)c1 ZINC000850239160 1250368701 /nfs/dbraw/zinc/36/87/01/1250368701.db2.gz OKKOISYFHWBCDH-UHFFFAOYSA-N 1 0 344.459 2.844 20 10 EFCDRO COc1cc(C[NH2+][C@@H](CO)C2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850243146 1250371875 /nfs/dbraw/zinc/37/18/75/1250371875.db2.gz UGEUWTGOYJEXER-KRWDZBQOSA-N 1 0 337.460 2.575 20 10 EFCDRO COc1cc(C[NH2+]CC2([S@](C)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000850284963 1250393444 /nfs/dbraw/zinc/39/34/44/1250393444.db2.gz OISGVXVUIPIFIB-QFIPXVFZSA-N 1 0 325.474 2.699 20 10 EFCDRO COc1cc(C[NH2+]CC2([S@@](C)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000850284962 1250394187 /nfs/dbraw/zinc/39/41/87/1250394187.db2.gz OISGVXVUIPIFIB-JOCHJYFZSA-N 1 0 325.474 2.699 20 10 EFCDRO COC[C@@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H]1CCCO1 ZINC000850281102 1250395653 /nfs/dbraw/zinc/39/56/53/1250395653.db2.gz OTUQJTRZUZSJQE-IAGOWNOFSA-N 1 0 337.460 2.982 20 10 EFCDRO COc1cc(C[NH2+]C[C@H]2CCOC[C@@H]2OC)c(O)c(C(C)(C)C)c1 ZINC000850315724 1250422943 /nfs/dbraw/zinc/42/29/43/1250422943.db2.gz KJELUDBQAYIOOH-DYVFJYSZSA-N 1 0 337.460 2.839 20 10 EFCDRO CCN1C[C@@H](C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CC1=O ZINC000850339412 1250439541 /nfs/dbraw/zinc/43/95/41/1250439541.db2.gz RQHILHTVQNXFBB-CYBMUJFWSA-N 1 0 334.460 2.656 20 10 EFCDRO Fc1cc(C[NH2+]CC2SCCS2)ccc1N1CCOCC1 ZINC000850401601 1250466427 /nfs/dbraw/zinc/46/64/27/1250466427.db2.gz NTNBQPCFOYEVHW-UHFFFAOYSA-N 1 0 328.478 2.558 20 10 EFCDRO CCn1nc(C)c(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1C ZINC000850405742 1250468429 /nfs/dbraw/zinc/46/84/29/1250468429.db2.gz BSVPOWBRUXEPHY-UHFFFAOYSA-N 1 0 342.487 2.771 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc(Cl)nc3)cc2)CC1 ZINC000850406043 1250468471 /nfs/dbraw/zinc/46/84/71/1250468471.db2.gz PGPIZODDKSIMCN-UHFFFAOYSA-N 1 0 331.847 2.986 20 10 EFCDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000850406359 1250470132 /nfs/dbraw/zinc/47/01/32/1250470132.db2.gz CXKOIXGLOWKGAD-FXAWDEMLSA-N 1 0 332.488 2.941 20 10 EFCDRO COCC1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850406387 1250470387 /nfs/dbraw/zinc/47/03/87/1250470387.db2.gz FNJVIEIPIIAAMB-UHFFFAOYSA-N 1 0 332.488 2.943 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCn4nccc43)C2)cc1 ZINC000850474699 1250497378 /nfs/dbraw/zinc/49/73/78/1250497378.db2.gz RDCJDMYTTZLYPJ-QAPCUYQASA-N 1 0 326.444 2.843 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C1(CO)CC1 ZINC000850514152 1250518314 /nfs/dbraw/zinc/51/83/14/1250518314.db2.gz CRGBCAIDWORTEP-UONOGXRCSA-N 1 0 338.879 2.988 20 10 EFCDRO C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850514150 1250518994 /nfs/dbraw/zinc/51/89/94/1250518994.db2.gz CRGBCAIDWORTEP-KBPBESRZSA-N 1 0 338.879 2.988 20 10 EFCDRO COc1ccc(N2C[C@H]([NH2+][C@@H]3CCc4cccc(O)c43)CC2=O)cc1 ZINC000850515731 1250519110 /nfs/dbraw/zinc/51/91/10/1250519110.db2.gz OBKNZKLHHKOTCL-RHSMWYFYSA-N 1 0 338.407 2.783 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCCCC2)c1 ZINC000850532655 1250526469 /nfs/dbraw/zinc/52/64/69/1250526469.db2.gz WXSKMJYUWSCBDR-ZDUSSCGKSA-N 1 0 341.473 2.799 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]C2CCN([C@@H]3CCOC3)CC2)c2c1c(F)ccc2O ZINC000850557753 1250535705 /nfs/dbraw/zinc/53/57/05/1250535705.db2.gz SDWBYCLMQHGQTN-XNRPHZJLSA-N 1 0 334.435 2.923 20 10 EFCDRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565737 1250538829 /nfs/dbraw/zinc/53/88/29/1250538829.db2.gz HSZCPBLHZWNBMD-LJQANCHMSA-N 1 0 340.471 2.548 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccc(CO)c1 ZINC000850566912 1250539170 /nfs/dbraw/zinc/53/91/70/1250539170.db2.gz UBFZWAZNMKFRAV-INIZCTEOSA-N 1 0 340.467 2.991 20 10 EFCDRO Cn1ccnc1[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000850567933 1250540638 /nfs/dbraw/zinc/54/06/38/1250540638.db2.gz MHMLNCLZFGIYMB-LJQANCHMSA-N 1 0 340.471 2.622 20 10 EFCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H]([NH3+])CC3CCCCC3)C2)cc1 ZINC000851639609 1251162831 /nfs/dbraw/zinc/16/28/31/1251162831.db2.gz ICGBJKQQVBBADU-LPHOPBHVSA-N 1 0 345.487 2.688 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)NCC3([NH3+])CCCC3)cc2)CC1 ZINC000851656513 1251178808 /nfs/dbraw/zinc/17/88/08/1251178808.db2.gz LVIJXDBKDRAZPV-UHFFFAOYSA-N 1 0 344.503 2.994 20 10 EFCDRO C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000851657314 1251182045 /nfs/dbraw/zinc/18/20/45/1251182045.db2.gz WZXVPOXGULLOAH-OAHLLOKOSA-N 1 0 332.492 2.863 20 10 EFCDRO C[C@H]1C[C@H](C)C[NH+](CCN(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000851716158 1251218340 /nfs/dbraw/zinc/21/83/40/1251218340.db2.gz JHOKGHSMJSWTCC-OALUTQOASA-N 1 0 345.531 2.933 20 10 EFCDRO COc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000185953042 1253484358 /nfs/dbraw/zinc/48/43/58/1253484358.db2.gz GZMDZHRTLKSFQS-CQSZACIVSA-N 1 0 328.412 2.790 20 10 EFCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000186030174 1254028129 /nfs/dbraw/zinc/02/81/29/1254028129.db2.gz DCYYLXXRQQTTIK-OLZOCXBDSA-N 1 0 325.474 2.745 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cnco3)CC2(C)C)cc1C ZINC000996110148 1255018533 /nfs/dbraw/zinc/01/85/33/1255018533.db2.gz SZBMDYPUTMALKT-QGZVFWFLSA-N 1 0 343.427 2.632 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@H](OC)C(C)C)CC2)cc1C ZINC000996957269 1256566367 /nfs/dbraw/zinc/56/63/67/1256566367.db2.gz QAVBPEBEHDLPFB-LJQANCHMSA-N 1 0 348.487 2.755 20 10 EFCDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc(N2CCOCC2)n1 ZINC000921519166 1256891071 /nfs/dbraw/zinc/89/10/71/1256891071.db2.gz BDKIWIQBCKCLEI-UHFFFAOYSA-N 1 0 339.439 2.533 20 10 EFCDRO O=S(=O)(CCC[NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921605062 1257523715 /nfs/dbraw/zinc/52/37/15/1257523715.db2.gz ZMDVDMWZJNYFFL-UHFFFAOYSA-N 1 0 345.464 2.965 20 10 EFCDRO Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(CC(F)(F)F)C3=O)C2)c(O)c1 ZINC001272764565 1257674278 /nfs/dbraw/zinc/67/42/78/1257674278.db2.gz BBNXFOGDECIXHP-MRXNPFEDSA-N 1 0 342.361 2.687 20 10 EFCDRO COc1ccc(C[NH2+]CC2CCN(C(=O)c3ccc[nH]3)CC2)cc1C ZINC000997532216 1257896502 /nfs/dbraw/zinc/89/65/02/1257896502.db2.gz AXOXZDXMGGGIQS-UHFFFAOYSA-N 1 0 341.455 2.974 20 10 EFCDRO Cn1nc(COCC2CC2)c2c1CC[N@H+](Cc1ccccc1O)C2 ZINC001203552218 1258202578 /nfs/dbraw/zinc/20/25/78/1258202578.db2.gz FHFYOSUWGDNRAY-UHFFFAOYSA-N 1 0 327.428 2.611 20 10 EFCDRO CN(C)c1ccc(C[NH2+]Cc2cc(Br)nn2C)cc1F ZINC000785440947 1258362425 /nfs/dbraw/zinc/36/24/25/1258362425.db2.gz FZOJDXCPLNKDBS-UHFFFAOYSA-N 1 0 341.228 2.678 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3ccccn3)C2)cc1C ZINC000998361685 1259460530 /nfs/dbraw/zinc/46/05/30/1259460530.db2.gz IBRBDKLIFDRPCV-UHFFFAOYSA-N 1 0 339.439 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C(C)(F)F)C2)cc1C ZINC000998366439 1259461140 /nfs/dbraw/zinc/46/11/40/1259461140.db2.gz GJUFQCVXNKHMNR-CQSZACIVSA-N 1 0 326.387 2.739 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccco3)C2)cc1C ZINC000998399143 1259490050 /nfs/dbraw/zinc/49/00/50/1259490050.db2.gz YBPKCZXSYONKGH-MRXNPFEDSA-N 1 0 328.412 2.991 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3cc(C)on3)C2)cc1C ZINC000998420131 1259512828 /nfs/dbraw/zinc/51/28/28/1259512828.db2.gz XJVBNECEHJOQCF-UHFFFAOYSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3ncoc3C)C2)cc1C ZINC000998515383 1259621977 /nfs/dbraw/zinc/62/19/77/1259621977.db2.gz LJPPVEFIDXEBLG-UHFFFAOYSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3cccn3C)C2)cc1C ZINC000998565548 1259691595 /nfs/dbraw/zinc/69/15/95/1259691595.db2.gz ZBZTZNGRNAZTAY-QGZVFWFLSA-N 1 0 341.455 2.737 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3ncoc3C)C2)cc1C ZINC000998688752 1259830469 /nfs/dbraw/zinc/83/04/69/1259830469.db2.gz GBSYSBBIIPDVDI-INIZCTEOSA-N 1 0 343.427 2.694 20 10 EFCDRO CC[C@H](OC)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000998703518 1259845566 /nfs/dbraw/zinc/84/55/66/1259845566.db2.gz DBRCXMWYDXPLJN-IRXDYDNUSA-N 1 0 334.460 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C3=COCCC3)C2)cc1C ZINC000998715104 1259859479 /nfs/dbraw/zinc/85/94/79/1259859479.db2.gz HGDDQONZCOYYBH-SFHVURJKSA-N 1 0 344.455 2.779 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3ocnc3C)C2)cc1C ZINC000998821105 1259990940 /nfs/dbraw/zinc/99/09/40/1259990940.db2.gz CWJMERAOQKYXAQ-INIZCTEOSA-N 1 0 343.427 2.694 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccn(C)c3)C2)cc1C ZINC000998921569 1260084063 /nfs/dbraw/zinc/08/40/63/1260084063.db2.gz GCRZZPLQXDEMCL-GOSISDBHSA-N 1 0 341.455 2.737 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC2CC[NH+](C/C=C/Cl)CC2)cc1 ZINC001004244110 1266316976 /nfs/dbraw/zinc/31/69/76/1266316976.db2.gz YZDYXKFALFYMJR-LPDFMGRNSA-N 1 0 349.822 2.796 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C3CC(OC)C3)C2)cc1C ZINC000999448071 1260651463 /nfs/dbraw/zinc/65/14/63/1260651463.db2.gz HPOZZVFUOYJCEG-LXPRWKDFSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3ccsn3)C2)cc1C ZINC000999476302 1260669362 /nfs/dbraw/zinc/66/93/62/1260669362.db2.gz MEJSEDFDNBHKPJ-HNNXBMFYSA-N 1 0 345.468 2.855 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)Cc3ccco3)C2)cc1C ZINC000999585308 1260754140 /nfs/dbraw/zinc/75/41/40/1260754140.db2.gz HIMUVPSKXMRSPP-UHFFFAOYSA-N 1 0 342.439 2.918 20 10 EFCDRO CN(Cc1nccn1C(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000073645451 1261232044 /nfs/dbraw/zinc/23/20/44/1261232044.db2.gz ZJQOTUMBBICJDV-UHFFFAOYSA-N 1 0 336.386 2.747 20 10 EFCDRO CC[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001272902570 1261293616 /nfs/dbraw/zinc/29/36/16/1261293616.db2.gz FCLXAKMMISZPED-IFXJQAMLSA-N 1 0 332.444 2.853 20 10 EFCDRO O=C(NC1CCCC1)[C@H]1CC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001272903286 1261294762 /nfs/dbraw/zinc/29/47/62/1261294762.db2.gz PWDJCJWTQUBOPL-MRXNPFEDSA-N 1 0 344.455 2.759 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@]3(CC(=O)N(C)C3=O)C2)cc1 ZINC001272916348 1261326027 /nfs/dbraw/zinc/32/60/27/1261326027.db2.gz GCGNSNDNPKFRJJ-FQEVSTJZSA-N 1 0 343.471 2.504 20 10 EFCDRO CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC[C@@H]2C1 ZINC000946907211 1261753099 /nfs/dbraw/zinc/75/30/99/1261753099.db2.gz WFJMUIOFCLEXRK-GASCZTMLSA-N 1 0 343.431 2.653 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C(C)(C)C)CCCO2)cc1C ZINC001078501398 1261875003 /nfs/dbraw/zinc/87/50/03/1261875003.db2.gz KPIKSTSHKDSTIV-KRWDZBQOSA-N 1 0 348.487 2.757 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC3(F)F)C[C@H]2C)cc1C ZINC001082501714 1263197354 /nfs/dbraw/zinc/19/73/54/1263197354.db2.gz LONCIWUQWGPORK-VHDGCEQUSA-N 1 0 338.398 2.595 20 10 EFCDRO Cc1cc(O)c(C[NH+]2CCN(Cc3cnn(C)c3)CC2)cc1C(C)C ZINC000729988861 1264143474 /nfs/dbraw/zinc/14/34/74/1264143474.db2.gz OOKQQMNGYHOHPX-UHFFFAOYSA-N 1 0 342.487 2.875 20 10 EFCDRO OC[C@@]1([NH2+]Cc2ccc3c(c2)CCCO3)CCOc2ccccc21 ZINC000922096956 1264360429 /nfs/dbraw/zinc/36/04/29/1264360429.db2.gz AVMAXPUHRCHZBY-FQEVSTJZSA-N 1 0 325.408 2.772 20 10 EFCDRO O[C@H]1[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)CCC12CCOCC2 ZINC000922110616 1264414963 /nfs/dbraw/zinc/41/49/63/1264414963.db2.gz PTQVUYYNUOGCDR-MJGOQNOKSA-N 1 0 331.456 2.669 20 10 EFCDRO COC(=O)COc1ccccc1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000922212404 1264968377 /nfs/dbraw/zinc/96/83/77/1264968377.db2.gz FTDXHTPOLNKRNY-ZDUSSCGKSA-N 1 0 345.395 2.803 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CC(=O)Nc2ccc(F)c(F)c2)cc1F ZINC000733323327 1265167753 /nfs/dbraw/zinc/16/77/53/1265167753.db2.gz ULOGLPOBNCBBKB-UHFFFAOYSA-N 1 0 337.345 2.898 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]C[C@@]2(C)CCOC2)c1O ZINC000733328066 1265169507 /nfs/dbraw/zinc/16/95/07/1265169507.db2.gz RLHOJLMRCMMSIW-CQSZACIVSA-N 1 0 330.222 2.680 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3[C@H]3CCC[C@@H]3O)cc2)CC1 ZINC000824716492 1278258611 /nfs/dbraw/zinc/25/86/11/1278258611.db2.gz VRCVNCMNWMGPHV-NJYVYQBISA-N 1 0 343.515 2.564 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3[C@H]3CCC[C@H]3O)cc2)CC1 ZINC000824716491 1278259189 /nfs/dbraw/zinc/25/91/89/1278259189.db2.gz VRCVNCMNWMGPHV-NJDAHSKKSA-N 1 0 343.515 2.564 20 10 EFCDRO Cc1cc(NC(=O)C[N@H+](Cc2ccccc2O)C2CCCC2)n(C)n1 ZINC000733613496 1265316786 /nfs/dbraw/zinc/31/67/86/1265316786.db2.gz YNYCDTWRLAHZNG-UHFFFAOYSA-N 1 0 342.443 2.817 20 10 EFCDRO CCOc1cccc(C[NH2+]CCc2ccccc2S(C)(=O)=O)c1O ZINC000922676302 1266580445 /nfs/dbraw/zinc/58/04/45/1266580445.db2.gz GFLYDJLHKQQTAY-UHFFFAOYSA-N 1 0 349.452 2.527 20 10 EFCDRO COc1cccc(O)c1C[N@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000824733466 1278269366 /nfs/dbraw/zinc/26/93/66/1278269366.db2.gz VGGGGJHMYYMTFB-UHFFFAOYSA-N 1 0 336.432 2.888 20 10 EFCDRO CC[C@@H](C)N1C[C@@]2(CC[N@H+](Cc3c(C)ccc(C)c3O)C2)OCC1=O ZINC001273049059 1266786075 /nfs/dbraw/zinc/78/60/75/1266786075.db2.gz JRCKWHXNJHREBO-UZLBHIALSA-N 1 0 346.471 2.611 20 10 EFCDRO CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2c(C)ccc(C)c2O)C1=O ZINC001273049165 1266788824 /nfs/dbraw/zinc/78/88/24/1266788824.db2.gz ONNVVPWLGAHYLO-QRWLVFNGSA-N 1 0 344.455 2.553 20 10 EFCDRO CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2c(C)ccc(C)c2O)C1=O ZINC001273049166 1266789150 /nfs/dbraw/zinc/78/91/50/1266789150.db2.gz ONNVVPWLGAHYLO-YWZLYKJASA-N 1 0 344.455 2.553 20 10 EFCDRO CCCCN1C[C@@]2(CC[N@H+](Cc3c(C)ccc(C)c3O)C2)OCC1=O ZINC001273049223 1266792353 /nfs/dbraw/zinc/79/23/53/1266792353.db2.gz QFOWTFCBDMDGOQ-FQEVSTJZSA-N 1 0 346.471 2.612 20 10 EFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@]3(CCN(CC(F)F)C3=O)C2)c1O ZINC001273049311 1266805291 /nfs/dbraw/zinc/80/52/91/1266805291.db2.gz STSKGOPZVPSSPV-SFHVURJKSA-N 1 0 338.398 2.699 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000824751067 1278281639 /nfs/dbraw/zinc/28/16/39/1278281639.db2.gz RKQGVIGGWOUGDE-SFHVURJKSA-N 1 0 330.472 2.962 20 10 EFCDRO CCOc1ccc(C[NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)c(O)c1 ZINC000922793879 1266827601 /nfs/dbraw/zinc/82/76/01/1266827601.db2.gz IENSGHVNTIOBDW-CQSZACIVSA-N 1 0 336.432 2.890 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000734274149 1266933287 /nfs/dbraw/zinc/93/32/87/1266933287.db2.gz NGBWTWXJWVMMCK-MRXNPFEDSA-N 1 0 330.476 2.569 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000734530460 1267004157 /nfs/dbraw/zinc/00/41/57/1267004157.db2.gz CSGVTSUATISMTA-WBVHZDCISA-N 1 0 346.519 2.981 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000734689001 1267066016 /nfs/dbraw/zinc/06/60/16/1267066016.db2.gz VBGLDCIGVDLMMV-UHFFFAOYSA-N 1 0 332.492 2.544 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(S(C)(=O)=O)c2)c1 ZINC000824789920 1278308188 /nfs/dbraw/zinc/30/81/88/1278308188.db2.gz JGZITWSGYRTZAM-GFCCVEGCSA-N 1 0 335.425 2.655 20 10 EFCDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000824856546 1278315268 /nfs/dbraw/zinc/31/52/68/1278315268.db2.gz ZSJKWYKDFKLEIR-GFCCVEGCSA-N 1 0 328.206 2.682 20 10 EFCDRO OC[C@H]([C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC1)C1CC1 ZINC000824844945 1278329136 /nfs/dbraw/zinc/32/91/36/1278329136.db2.gz FZKOAWCFRBPWBX-FXAWDEMLSA-N 1 0 348.462 2.549 20 10 EFCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824895015 1278331260 /nfs/dbraw/zinc/33/12/60/1278331260.db2.gz PABCKDMYBCRXKZ-CQSZACIVSA-N 1 0 328.206 2.540 20 10 EFCDRO O=S1(=O)CCC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000735925860 1267457334 /nfs/dbraw/zinc/45/73/34/1267457334.db2.gz WPZYTIUVHDVGCW-QGZVFWFLSA-N 1 0 331.437 2.726 20 10 EFCDRO CCN1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CC1=O ZINC000824887305 1278348324 /nfs/dbraw/zinc/34/83/24/1278348324.db2.gz UKCQSYUSNWGDMR-KRWDZBQOSA-N 1 0 340.423 2.682 20 10 EFCDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000186775989 1267706712 /nfs/dbraw/zinc/70/67/12/1267706712.db2.gz UVTXUJMGQFCZBB-OLZOCXBDSA-N 1 0 336.432 2.918 20 10 EFCDRO Oc1cc2c(cc1C[NH+]1CCC(Cn3cncn3)CC1)CCCC2 ZINC000186889924 1267872846 /nfs/dbraw/zinc/87/28/46/1267872846.db2.gz YOSQCQNBWYMTSC-UHFFFAOYSA-N 1 0 326.444 2.775 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(=O)NCCc1ccccc1 ZINC000825035147 1278391687 /nfs/dbraw/zinc/39/16/87/1278391687.db2.gz FNQYEEQGSDWFMN-INIZCTEOSA-N 1 0 325.456 2.590 20 10 EFCDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000825039968 1278392174 /nfs/dbraw/zinc/39/21/74/1278392174.db2.gz DFEHOYVNDVWXOA-OLZOCXBDSA-N 1 0 342.233 2.976 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)c1 ZINC000825046032 1278396107 /nfs/dbraw/zinc/39/61/07/1278396107.db2.gz OSNSXXKPDFWCHI-KDOFPFPSSA-N 1 0 331.416 2.534 20 10 EFCDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000825040994 1278393752 /nfs/dbraw/zinc/39/37/52/1278393752.db2.gz XWJQFFLJISYKNY-OLZOCXBDSA-N 1 0 327.808 2.876 20 10 EFCDRO CCO[C@@H](CC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC001129321199 1268260931 /nfs/dbraw/zinc/26/09/31/1268260931.db2.gz INKJBKNVPIVWDU-SFHVURJKSA-N 1 0 336.476 2.661 20 10 EFCDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000825068302 1278403479 /nfs/dbraw/zinc/40/34/79/1278403479.db2.gz NLSUXIVHDAKGCL-AWEZNQCLSA-N 1 0 328.412 2.585 20 10 EFCDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000825068496 1278403847 /nfs/dbraw/zinc/40/38/47/1278403847.db2.gz QZXZGVSDNMKDPC-INIZCTEOSA-N 1 0 337.467 2.864 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cc(=O)n3nccc3[nH]2)cc1 ZINC000738299240 1268441909 /nfs/dbraw/zinc/44/19/09/1268441909.db2.gz MVDZINBOTZQXOZ-UHFFFAOYSA-N 1 0 339.443 2.501 20 10 EFCDRO COC(=O)C1(C)CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001168749934 1268446216 /nfs/dbraw/zinc/44/62/16/1268446216.db2.gz AQHPGVGSTDYTCR-UHFFFAOYSA-N 1 0 346.471 2.735 20 10 EFCDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1ccc(Br)cc1O)C2 ZINC000825096249 1278410641 /nfs/dbraw/zinc/41/06/41/1278410641.db2.gz DEGAJUJYGYRHJB-CQSZACIVSA-N 1 0 348.244 2.900 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000825111683 1278414373 /nfs/dbraw/zinc/41/43/73/1278414373.db2.gz ONHSPZINQKGKMB-KGLIPLIRSA-N 1 0 340.423 2.857 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@H](c2nnc[nH]2)c2ccccc2)cc1F ZINC000825124420 1278421251 /nfs/dbraw/zinc/42/12/51/1278421251.db2.gz PROMVQJSKPIZMK-INIZCTEOSA-N 1 0 339.418 2.932 20 10 EFCDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000738991696 1268623199 /nfs/dbraw/zinc/62/31/99/1268623199.db2.gz STNDCORPVRUZDX-IBGZPJMESA-N 1 0 344.503 2.551 20 10 EFCDRO COc1cc(Cl)cc(C[N@H+](CCO)C2CCSCC2)c1O ZINC000825133727 1278423938 /nfs/dbraw/zinc/42/39/38/1278423938.db2.gz MAAZNDMGZBVINT-UHFFFAOYSA-N 1 0 331.865 2.744 20 10 EFCDRO Cc1cc(C(=O)NC[C@@H]2C[NH2+]CCCO2)c(C)n1-c1ccccc1C ZINC000825183042 1278442588 /nfs/dbraw/zinc/44/25/88/1278442588.db2.gz GOJPPIYCGLQOIQ-KRWDZBQOSA-N 1 0 341.455 2.511 20 10 EFCDRO Cc1cc(O)c(C[NH2+]CCCNC(=O)c2cccc(O)c2)cc1Cl ZINC000825186088 1278446162 /nfs/dbraw/zinc/44/61/62/1278446162.db2.gz VXQURWCXUDOGDM-UHFFFAOYSA-N 1 0 348.830 2.969 20 10 EFCDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1ccc(N2CC=CC2)cc1 ZINC000740631529 1268984616 /nfs/dbraw/zinc/98/46/16/1268984616.db2.gz PAXUSDQMBXMGQJ-GOSISDBHSA-N 1 0 344.528 2.511 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000825156137 1278454471 /nfs/dbraw/zinc/45/44/71/1278454471.db2.gz OWWVXHPDJJLFSN-LSTHTHJFSA-N 1 0 329.488 2.595 20 10 EFCDRO COC[C@]1(CO)CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000825158582 1278455271 /nfs/dbraw/zinc/45/52/71/1278455271.db2.gz QVUXBWYCVZBYDR-HXUWFJFHSA-N 1 0 327.424 2.890 20 10 EFCDRO COc1ccc(N2CCCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000741140685 1269348716 /nfs/dbraw/zinc/34/87/16/1269348716.db2.gz VENMQDUGYFLYRN-CALCHBBNSA-N 1 0 345.487 2.607 20 10 EFCDRO COc1ccc(N2CCCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000741140687 1269348841 /nfs/dbraw/zinc/34/88/41/1269348841.db2.gz VENMQDUGYFLYRN-IRXDYDNUSA-N 1 0 345.487 2.607 20 10 EFCDRO C[C@H](F)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994780 1269450037 /nfs/dbraw/zinc/45/00/37/1269450037.db2.gz UQKOQPHHVOLUMU-SWLSCSKDSA-N 1 0 349.410 2.743 20 10 EFCDRO Cc1noc(CCC[NH2+]Cc2ccc(Br)cc2O)n1 ZINC000825253315 1278487671 /nfs/dbraw/zinc/48/76/71/1278487671.db2.gz HBEJVDFUHGOWQA-UHFFFAOYSA-N 1 0 326.194 2.569 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3ccncc3)C2)cc1C ZINC001086013796 1269522495 /nfs/dbraw/zinc/52/24/95/1269522495.db2.gz MZHVFNGJFSUIEJ-MAEOIBBWSA-N 1 0 339.439 2.697 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cc(C)no3)C2)cc1C ZINC001086027250 1269592485 /nfs/dbraw/zinc/59/24/85/1269592485.db2.gz NJOGABLFVMAKFW-IYBDPMFKSA-N 1 0 343.427 2.598 20 10 EFCDRO Cc1cc(O)c(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1Cl ZINC000825291361 1278495317 /nfs/dbraw/zinc/49/53/17/1278495317.db2.gz KARGEXWKYWFVDF-QWHCGFSZSA-N 1 0 331.865 2.799 20 10 EFCDRO COCCC[N@H+](C)CCNC(=O)c1sccc1-n1c(C)ccc1C ZINC000741726274 1269677881 /nfs/dbraw/zinc/67/78/81/1269677881.db2.gz GAJGJTKSCAHPJD-UHFFFAOYSA-N 1 0 349.500 2.854 20 10 EFCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCCN1C(=O)c2ccccc2C1=O ZINC000700928573 1269718657 /nfs/dbraw/zinc/71/86/57/1269718657.db2.gz WZMXDOARBIFFIO-UHFFFAOYSA-N 1 0 349.434 2.584 20 10 EFCDRO C[NH+](C)CC(C)(C)CNC(=S)NCc1c(O)ccc2c1CCCC2 ZINC000741872424 1269744256 /nfs/dbraw/zinc/74/42/56/1269744256.db2.gz AMLWRFRMDGHRCM-UHFFFAOYSA-N 1 0 349.544 2.823 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)CN1C1CC1 ZINC000825353684 1278518759 /nfs/dbraw/zinc/51/87/59/1278518759.db2.gz OUUOKAIHMOFFDA-ZWNOBZJWSA-N 1 0 325.250 2.870 20 10 EFCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000742370695 1270025171 /nfs/dbraw/zinc/02/51/71/1270025171.db2.gz JHPPWKLULHPCNK-WBVHZDCISA-N 1 0 336.501 2.590 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c1O ZINC000742374649 1270029031 /nfs/dbraw/zinc/02/90/31/1270029031.db2.gz BGFDXHIVGDKBCV-GXFFZTMASA-N 1 0 343.265 2.736 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000825406120 1278539539 /nfs/dbraw/zinc/53/95/39/1278539539.db2.gz OIXUOHYNMOCNPZ-UKRRQHHQSA-N 1 0 342.233 2.582 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000825406118 1278539548 /nfs/dbraw/zinc/53/95/48/1278539548.db2.gz OIXUOHYNMOCNPZ-HIFRSBDPSA-N 1 0 342.233 2.582 20 10 EFCDRO COC(=O)CC1([NH2+]Cc2ccc(Br)cc2O)CCC1 ZINC000825413311 1278541244 /nfs/dbraw/zinc/54/12/44/1278541244.db2.gz UPRWEVXDSWKNFB-UHFFFAOYSA-N 1 0 328.206 2.730 20 10 EFCDRO CCCCC[NH+]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001113703799 1278551265 /nfs/dbraw/zinc/55/12/65/1278551265.db2.gz MHKQRQRMKYFPAK-UHFFFAOYSA-N 1 0 331.420 2.797 20 10 EFCDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000825422694 1278547895 /nfs/dbraw/zinc/54/78/95/1278547895.db2.gz QXKHQYGGNWIDHZ-UWVGGRQHSA-N 1 0 329.238 2.548 20 10 EFCDRO COc1ccc(N2CCC[N@H+](CCC(=O)N3CCC[C@H]3C)CC2)cc1 ZINC000743261770 1270494063 /nfs/dbraw/zinc/49/40/63/1270494063.db2.gz KFILIUYPDVZUIT-QGZVFWFLSA-N 1 0 345.487 2.608 20 10 EFCDRO CC[N@H+](CCNC(=O)NCc1c(O)ccc2c1CCCC2)C(C)C ZINC000743591040 1270654160 /nfs/dbraw/zinc/65/41/60/1270654160.db2.gz FLQFBPKQGQCTMN-UHFFFAOYSA-N 1 0 333.476 2.801 20 10 EFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743604792 1270661979 /nfs/dbraw/zinc/66/19/79/1270661979.db2.gz QVQSOCLRBZGZMY-INIZCTEOSA-N 1 0 345.487 2.945 20 10 EFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)[C@@H]1OC ZINC000825513116 1278579573 /nfs/dbraw/zinc/57/95/73/1278579573.db2.gz BSWJPMFKJVHCOU-NUJGCVRESA-N 1 0 337.460 2.980 20 10 EFCDRO Cc1cc(O)c(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)cc1Cl ZINC000825520286 1278582560 /nfs/dbraw/zinc/58/25/60/1278582560.db2.gz ZMEXKYKXSMPWPR-INIZCTEOSA-N 1 0 329.824 2.536 20 10 EFCDRO CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001034051916 1270930388 /nfs/dbraw/zinc/93/03/88/1270930388.db2.gz CPVISBOFVBXYIU-OAHLLOKOSA-N 1 0 331.420 2.794 20 10 EFCDRO CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CC[N@H+](CCCF)C1 ZINC001034052838 1270933697 /nfs/dbraw/zinc/93/36/97/1270933697.db2.gz MNWOGEFAUOYFDD-HNNXBMFYSA-N 1 0 349.410 2.745 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3ccoc3)C2)cc1C ZINC001086309506 1270934277 /nfs/dbraw/zinc/93/42/77/1270934277.db2.gz YPSSHGHVMDZCHK-JCNLHEQBSA-N 1 0 328.412 2.895 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3cncs3)C2)cc1C ZINC001086318326 1270958343 /nfs/dbraw/zinc/95/83/43/1270958343.db2.gz CCICBPQAAKIBEX-SHTZXODSSA-N 1 0 345.468 2.758 20 10 EFCDRO C[C@H]1CCCN1C(=O)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000744403364 1271028135 /nfs/dbraw/zinc/02/81/35/1271028135.db2.gz YWODHLFOLOXMHW-FUHWJXTLSA-N 1 0 346.471 2.774 20 10 EFCDRO CC(C)(C)OC(=O)CCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000744450075 1271052791 /nfs/dbraw/zinc/05/27/91/1271052791.db2.gz KOGURTGTNSRJHD-UHFFFAOYSA-N 1 0 334.460 2.735 20 10 EFCDRO CN(Cc1cn(C(C)(C)C)nn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000792175506 1278618399 /nfs/dbraw/zinc/61/83/99/1278618399.db2.gz VKMDQHZOAJFPBG-UHFFFAOYSA-N 1 0 331.464 2.610 20 10 EFCDRO COc1ccc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000702554627 1271479949 /nfs/dbraw/zinc/47/99/49/1271479949.db2.gz WVLBVKHMUXBZRE-OAQYLSRUSA-N 1 0 340.467 2.730 20 10 EFCDRO C[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000702566658 1271494085 /nfs/dbraw/zinc/49/40/85/1271494085.db2.gz MTAIQLHCVXGHQO-MGPUTAFESA-N 1 0 344.430 2.819 20 10 EFCDRO CCc1cccc(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)c1O ZINC000702652456 1271599671 /nfs/dbraw/zinc/59/96/71/1271599671.db2.gz KZQWTDOWYUROJV-NRFANRHFSA-N 1 0 340.467 2.681 20 10 EFCDRO CC[NH+]1CCC(CNC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000745795115 1271630773 /nfs/dbraw/zinc/63/07/73/1271630773.db2.gz RZOVLYHOZWQSLV-UHFFFAOYSA-N 1 0 345.487 2.802 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC34CC4)C2)cc1C ZINC001086489756 1271759905 /nfs/dbraw/zinc/75/99/05/1271759905.db2.gz VRKFSLUSXCLDRC-ULQDDVLXSA-N 1 0 328.456 2.788 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CC34CC4)C2)cc1C ZINC001086489755 1271760691 /nfs/dbraw/zinc/76/06/91/1271760691.db2.gz VRKFSLUSXCLDRC-BRWVUGGUSA-N 1 0 328.456 2.788 20 10 EFCDRO COC(=O)C1(C)CCC([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001168794488 1272296847 /nfs/dbraw/zinc/29/68/47/1272296847.db2.gz UYNDCRDNFAJHDU-UHFFFAOYSA-N 1 0 333.428 2.968 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCOC3)CC2)cc1C ZINC001034605756 1272336682 /nfs/dbraw/zinc/33/66/82/1272336682.db2.gz KKTLBESKRWBEQL-KZNAEPCWSA-N 1 0 346.471 2.557 20 10 EFCDRO COc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CCCO2)cc1C ZINC001168970781 1272560875 /nfs/dbraw/zinc/56/08/75/1272560875.db2.gz JGURCCJNECJRRR-APWZRJJASA-N 1 0 348.487 2.947 20 10 EFCDRO COc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CCCO2)cc1C ZINC001168970782 1272561431 /nfs/dbraw/zinc/56/14/31/1272561431.db2.gz JGURCCJNECJRRR-LPHOPBHVSA-N 1 0 348.487 2.947 20 10 EFCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CO1 ZINC001169318093 1272801111 /nfs/dbraw/zinc/80/11/11/1272801111.db2.gz CCBPDWBVKRYXND-MJGOQNOKSA-N 1 0 346.471 2.877 20 10 EFCDRO COc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)c2ccn[nH]2)cc1C ZINC001169310733 1272830962 /nfs/dbraw/zinc/83/09/62/1272830962.db2.gz WNKZUJOZJWFOEG-HNNXBMFYSA-N 1 0 344.459 2.805 20 10 EFCDRO COc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)OC)cc1C ZINC001169497867 1272967726 /nfs/dbraw/zinc/96/77/26/1272967726.db2.gz GOTGFDPFHJCPEB-JKSUJKDBSA-N 1 0 336.476 2.803 20 10 EFCDRO COc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CCOC2)cc1C ZINC001169610687 1273052065 /nfs/dbraw/zinc/05/20/65/1273052065.db2.gz XPIPMNVBKMQDGG-FUHWJXTLSA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C2CCOCC2)cc1C ZINC001034840471 1273076993 /nfs/dbraw/zinc/07/69/93/1273076993.db2.gz PVXJZSWZVYUNFZ-GOSISDBHSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2cc(C)no2)cc1C ZINC001034857947 1273109080 /nfs/dbraw/zinc/10/90/80/1273109080.db2.gz UVAHOUBIKIFVMK-MRXNPFEDSA-N 1 0 343.427 2.694 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)Cc2ccoc2)cc1C ZINC001034914352 1273202417 /nfs/dbraw/zinc/20/24/17/1273202417.db2.gz AMOXMLSHLZEQBC-GOSISDBHSA-N 1 0 342.439 2.920 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@H]3CCCC4(C3)OCCO4)CC2)c(C)c1 ZINC001169961376 1273282281 /nfs/dbraw/zinc/28/22/81/1273282281.db2.gz JQDGZSYTEDEGDI-KRWDZBQOSA-N 1 0 346.471 2.811 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@@H]3CCCC4(C3)OCCO4)CC2)c(C)c1 ZINC001169961377 1273282509 /nfs/dbraw/zinc/28/25/09/1273282509.db2.gz JQDGZSYTEDEGDI-QGZVFWFLSA-N 1 0 346.471 2.811 20 10 EFCDRO CCOc1ccc(N2CC[NH+]([C@H]3CCCC4(C3)OCCO4)CC2)cc1 ZINC001169960954 1273282835 /nfs/dbraw/zinc/28/28/35/1273282835.db2.gz DTNGPFIQFYMJFR-SFHVURJKSA-N 1 0 346.471 2.893 20 10 EFCDRO CC[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cc(Br)ccc1O ZINC000704304784 1273299927 /nfs/dbraw/zinc/29/99/27/1273299927.db2.gz LUETYFYVSIGWAV-QWHCGFSZSA-N 1 0 341.249 2.816 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](OC)C(C)C)cc1C ZINC001035039726 1273425892 /nfs/dbraw/zinc/42/58/92/1273425892.db2.gz PCYHNGFMSSBBBD-IEBWSBKVSA-N 1 0 348.487 2.755 20 10 EFCDRO Cc1ccccc1NCCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000844162600 1278791675 /nfs/dbraw/zinc/79/16/75/1278791675.db2.gz JNIKKGLAWLMGTQ-SFHVURJKSA-N 1 0 340.471 2.679 20 10 EFCDRO CCc1nc(NC(=O)CN2CCCc3cc(C[NH3+])ccc32)sc1C ZINC000844219202 1278793308 /nfs/dbraw/zinc/79/33/08/1278793308.db2.gz IGDKROJYMPBUSI-UHFFFAOYSA-N 1 0 344.484 2.864 20 10 EFCDRO Oc1ccc(CNc2ccc([C@]34CC[NH2+][C@H]3COCC4)cc2)cc1O ZINC001169993281 1274163896 /nfs/dbraw/zinc/16/38/96/1274163896.db2.gz QYOHAVYQTCHVAJ-VQTJNVASSA-N 1 0 340.423 2.730 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1O)C(=O)NC(C)(C)C ZINC000691500322 1274732214 /nfs/dbraw/zinc/73/22/14/1274732214.db2.gz GDIKRZQNUZERQZ-SECBINFHSA-N 1 0 329.238 2.548 20 10 EFCDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1c(O)cccc1Br ZINC000706809412 1275031052 /nfs/dbraw/zinc/03/10/52/1275031052.db2.gz WGUVSZWSJRDCSN-SNVBAGLBSA-N 1 0 329.238 2.549 20 10 EFCDRO O=C(CC[NH2+]Cc1c(O)cccc1Br)N1CCCCC1 ZINC000706830415 1275040713 /nfs/dbraw/zinc/04/07/13/1275040713.db2.gz WFIWXJMQUMHRDF-UHFFFAOYSA-N 1 0 341.249 2.647 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H](O)c2ccccc2F)cc1 ZINC000844400070 1278947906 /nfs/dbraw/zinc/94/79/06/1278947906.db2.gz VBGKDPBXONLOFD-LJQANCHMSA-N 1 0 332.419 2.936 20 10 EFCDRO COC(=O)c1ccc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)o1 ZINC000844399854 1278948043 /nfs/dbraw/zinc/94/80/43/1278948043.db2.gz QHWVMBQXMOGLJG-UHFFFAOYSA-N 1 0 332.400 2.643 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1 ZINC000786965797 1275593291 /nfs/dbraw/zinc/59/32/91/1275593291.db2.gz OFHCLTRYHFOJGB-JTQLQIEISA-N 1 0 341.454 2.717 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2[C@H](C)CCCN2C(=O)C(F)F)cc1C ZINC001036479194 1275728562 /nfs/dbraw/zinc/72/85/62/1275728562.db2.gz IXFIJIHYHJCDMI-IUODEOHRSA-N 1 0 340.414 2.985 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3ncoc3C)C2)cc1C ZINC001090946795 1278996497 /nfs/dbraw/zinc/99/64/97/1278996497.db2.gz POKZWLOCDLQREZ-UHFFFAOYSA-N 1 0 343.427 2.598 20 10 EFCDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(O)c(O)c2)c([N+](=O)[O-])c1 ZINC001170314041 1279007852 /nfs/dbraw/zinc/00/78/52/1279007852.db2.gz UMEFMNFBWQJJDL-LLVKDONJSA-N 1 0 332.356 2.735 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)C(C)(C)OC)CC2)cc1 ZINC000788507075 1276204059 /nfs/dbraw/zinc/20/40/59/1276204059.db2.gz NOYZZSUJCRNBJI-KRWDZBQOSA-N 1 0 349.519 2.610 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)C(C)(C)OC)CC2)cc1 ZINC000788507076 1276204780 /nfs/dbraw/zinc/20/47/80/1276204780.db2.gz NOYZZSUJCRNBJI-QGZVFWFLSA-N 1 0 349.519 2.610 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CC=C(C)CC3)CC2)cc1 ZINC000788572014 1276229177 /nfs/dbraw/zinc/22/91/77/1276229177.db2.gz KZZSWKMLROIHRD-GOSISDBHSA-N 1 0 329.488 2.906 20 10 EFCDRO C[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000788604280 1276238020 /nfs/dbraw/zinc/23/80/20/1276238020.db2.gz JOQAXKSEBKDLLH-KGLIPLIRSA-N 1 0 326.868 2.988 20 10 EFCDRO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000788785196 1276331190 /nfs/dbraw/zinc/33/11/90/1276331190.db2.gz WXAHNITULSHRPY-CYBMUJFWSA-N 1 0 344.386 2.971 20 10 EFCDRO C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000817888163 1276347126 /nfs/dbraw/zinc/34/71/26/1276347126.db2.gz JDYCIMBZOOKJDQ-BASYENTBSA-N 1 0 335.467 2.669 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)NC(C)(C)CC[NH3+])cc2)CC1 ZINC000817876986 1276356010 /nfs/dbraw/zinc/35/60/10/1276356010.db2.gz YSBWHQYZFRUZKD-UHFFFAOYSA-N 1 0 332.492 2.850 20 10 EFCDRO C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817901565 1276367788 /nfs/dbraw/zinc/36/77/88/1276367788.db2.gz WZSUNNCWLCZOOK-CKEIUWERSA-N 1 0 339.430 2.844 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc1F ZINC000817903941 1276369299 /nfs/dbraw/zinc/36/92/99/1276369299.db2.gz XKCGDVOJPAEJEW-OALUTQOASA-N 1 0 335.467 2.529 20 10 EFCDRO C[C@H](NCC1([NH3+])CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817936301 1276381834 /nfs/dbraw/zinc/38/18/34/1276381834.db2.gz NJUZTHHANNIZSM-HNNXBMFYSA-N 1 0 335.467 2.975 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CN[C@@H](c2nc[nH]n2)C2CCCCC2)cc1 ZINC000817941501 1276386590 /nfs/dbraw/zinc/38/65/90/1276386590.db2.gz KDDMPIDHTLKEAO-QZTJIDSGSA-N 1 0 342.491 2.782 20 10 EFCDRO C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cc(Br)cc(F)c1[O-] ZINC000817941801 1276387547 /nfs/dbraw/zinc/38/75/47/1276387547.db2.gz RWMAZMVVKAVVAS-SECBINFHSA-N 1 0 331.229 2.944 20 10 EFCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000817956109 1276397912 /nfs/dbraw/zinc/39/79/12/1276397912.db2.gz QVZVLJYCSBQAQY-UWJYYQICSA-N 1 0 339.483 2.863 20 10 EFCDRO Nc1ccc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000817958144 1276398909 /nfs/dbraw/zinc/39/89/09/1276398909.db2.gz SIARTRIZCQROIK-JKSUJKDBSA-N 1 0 329.404 2.690 20 10 EFCDRO CC(C)[C@@H]([NH3+])CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817958984 1276399640 /nfs/dbraw/zinc/39/96/40/1276399640.db2.gz NZZRJMAPAVWRAS-DYVFJYSZSA-N 1 0 325.884 2.811 20 10 EFCDRO CC(C)[C@H]([NH3+])CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817958987 1276399804 /nfs/dbraw/zinc/39/98/04/1276399804.db2.gz NZZRJMAPAVWRAS-SUMWQHHRSA-N 1 0 325.884 2.811 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)c1 ZINC000817968840 1276411622 /nfs/dbraw/zinc/41/16/22/1276411622.db2.gz NJKBJVWWYWFBNM-GFCCVEGCSA-N 1 0 326.396 2.633 20 10 EFCDRO C[C@H](N[C@H]1CCC[NH2+]CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817968508 1276411963 /nfs/dbraw/zinc/41/19/63/1276411963.db2.gz KREULMFJAHLOJC-GJZGRUSLSA-N 1 0 337.895 2.969 20 10 EFCDRO CC[NH2+][C@H](C)CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817972928 1276414650 /nfs/dbraw/zinc/41/46/50/1276414650.db2.gz PZOJPSCPARHWJK-ZIAGYGMSSA-N 1 0 325.884 2.825 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CC[C@@H](O)C2)ccc1N1CCCCC1 ZINC000788971602 1276420752 /nfs/dbraw/zinc/42/07/52/1276420752.db2.gz PFIDCFSTXBYZME-GOEBONIOSA-N 1 0 333.432 2.836 20 10 EFCDRO C[C@H](NC[C@H]1C[NH2+]CCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817981372 1276420857 /nfs/dbraw/zinc/42/08/57/1276420857.db2.gz RSWYAOYUTKABON-DOTOQJQBSA-N 1 0 335.467 2.845 20 10 EFCDRO C[C@H](NCCC[NH2+]C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817983435 1276421217 /nfs/dbraw/zinc/42/12/17/1276421217.db2.gz CZSFDYPZXWZHAF-AWEZNQCLSA-N 1 0 337.895 2.969 20 10 EFCDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000788981725 1276448906 /nfs/dbraw/zinc/44/89/06/1276448906.db2.gz GAFLIQHYVMHCNB-MNOVXSKESA-N 1 0 343.265 2.981 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cn4ccccc4n3)C2)cc1 ZINC000818219448 1276493745 /nfs/dbraw/zinc/49/37/45/1276493745.db2.gz GHCNUQOASQJAHQ-MRXNPFEDSA-N 1 0 336.439 2.959 20 10 EFCDRO COc1cccc(O)c1C[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000818225948 1276494717 /nfs/dbraw/zinc/49/47/17/1276494717.db2.gz WPXKEFGKYWOEFP-UHFFFAOYSA-N 1 0 342.439 2.630 20 10 EFCDRO Oc1ccc([C@H](O)C[NH2+][C@H]2CCc3cccc(Cl)c3C2)cc1O ZINC001170892901 1276497029 /nfs/dbraw/zinc/49/70/29/1276497029.db2.gz JZIYXESDEXAQEC-SCLBCKFNSA-N 1 0 333.815 2.932 20 10 EFCDRO COC(=O)CC1CC([NH2+]Cc2ccc(N3CCSCC3)cc2)C1 ZINC000818329676 1276507369 /nfs/dbraw/zinc/50/73/69/1276507369.db2.gz BMEAOZUNXMFTHE-UHFFFAOYSA-N 1 0 334.485 2.671 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3nccnc3C)C2)cc1 ZINC000818341545 1276510125 /nfs/dbraw/zinc/51/01/25/1276510125.db2.gz AKFSIXVLSOYYOQ-HZPDHXFCSA-N 1 0 326.444 2.971 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)C(C)(C)n3cncn3)C2)cc1 ZINC000818341919 1276510332 /nfs/dbraw/zinc/51/03/32/1276510332.db2.gz JCDLXNMVLPTMJC-HZPDHXFCSA-N 1 0 343.475 2.526 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cc(C)n(C)n3)C2)cc1 ZINC000818342933 1276511599 /nfs/dbraw/zinc/51/15/99/1276511599.db2.gz WUOYFOXXFAZADX-CVEARBPZSA-N 1 0 328.460 2.914 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cc(C)n(C)n3)C2)cc1 ZINC000818342936 1276511630 /nfs/dbraw/zinc/51/16/30/1276511630.db2.gz WUOYFOXXFAZADX-JKSUJKDBSA-N 1 0 328.460 2.914 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CCC4(CC3)OCCO4)C2)cc1 ZINC000818342830 1276511733 /nfs/dbraw/zinc/51/17/33/1276511733.db2.gz VVDAFMZOXFDYFU-INIZCTEOSA-N 1 0 346.471 2.797 20 10 EFCDRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818344633 1276513411 /nfs/dbraw/zinc/51/34/11/1276513411.db2.gz PMVKJURQMDFOJR-DLBZAZTESA-N 1 0 347.503 2.758 20 10 EFCDRO C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000818349254 1276518081 /nfs/dbraw/zinc/51/80/81/1276518081.db2.gz FOWJOPYZIGOTJO-CYBMUJFWSA-N 1 0 325.474 2.746 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)cc1 ZINC000818941470 1276553983 /nfs/dbraw/zinc/55/39/83/1276553983.db2.gz KBMMXJKQSDRAIE-KRWDZBQOSA-N 1 0 339.439 2.763 20 10 EFCDRO CCc1cccc(OC[C@H](O)C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000818941066 1276554017 /nfs/dbraw/zinc/55/40/17/1276554017.db2.gz CHQBWXALRSYEKB-LJQANCHMSA-N 1 0 328.456 2.845 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)COc1ccccc1F ZINC000818953055 1276557422 /nfs/dbraw/zinc/55/74/22/1276557422.db2.gz AIXLZPUWQWBGOS-SFHVURJKSA-N 1 0 344.430 2.955 20 10 EFCDRO CN1CCCc2cc(C[NH2+]C[C@@H](O)COCc3cccs3)ccc21 ZINC000818984541 1276563242 /nfs/dbraw/zinc/56/32/42/1276563242.db2.gz BIHRLFJUJGWUTG-QGZVFWFLSA-N 1 0 346.496 2.798 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000818985462 1276563428 /nfs/dbraw/zinc/56/34/28/1276563428.db2.gz UGSRESOQUGQEMF-KRWDZBQOSA-N 1 0 333.363 2.623 20 10 EFCDRO Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000818984999 1276563768 /nfs/dbraw/zinc/56/37/68/1276563768.db2.gz KLZCOEBTLWBTTE-MRXNPFEDSA-N 1 0 332.419 2.730 20 10 EFCDRO CN1CCCc2cc(C[NH2+]C[C@@H](O)Cc3ccc(F)cc3)ccc21 ZINC000818985509 1276563906 /nfs/dbraw/zinc/56/39/06/1276563906.db2.gz VWJPUIGYVHERKE-IBGZPJMESA-N 1 0 328.431 2.901 20 10 EFCDRO CSc1ccc(OC[C@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000818997401 1276566848 /nfs/dbraw/zinc/56/68/48/1276566848.db2.gz ZSOYUIWBKCIOOX-MRXNPFEDSA-N 1 0 345.464 2.873 20 10 EFCDRO CCOC(=O)CC[C@H](O)C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000819040260 1276577068 /nfs/dbraw/zinc/57/70/68/1276577068.db2.gz YAVPEEBBRFPJOI-IBGZPJMESA-N 1 0 348.487 2.717 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)COc1ccccc1F ZINC000819095806 1276603821 /nfs/dbraw/zinc/60/38/21/1276603821.db2.gz VACZETGGGNRHCA-SFHVURJKSA-N 1 0 342.414 2.731 20 10 EFCDRO OC1(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC1 ZINC000819120112 1276639052 /nfs/dbraw/zinc/63/90/52/1276639052.db2.gz KYRBBACVBLVZSY-CYBMUJFWSA-N 1 0 326.387 2.761 20 10 EFCDRO COC[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000819289578 1276704240 /nfs/dbraw/zinc/70/42/40/1276704240.db2.gz FLRKYVPJWVEIDD-ZFWWWQNUSA-N 1 0 326.868 2.673 20 10 EFCDRO C[C@]12CC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C[C@H]1C2(Cl)Cl ZINC000789486466 1276747953 /nfs/dbraw/zinc/74/79/53/1276747953.db2.gz LUMXRLLBYLJUKA-CFVMTHIKSA-N 1 0 344.238 2.834 20 10 EFCDRO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583470 1276825296 /nfs/dbraw/zinc/82/52/96/1276825296.db2.gz WVVBDOSHLIXDCE-LPHOPBHVSA-N 1 0 345.487 2.512 20 10 EFCDRO CC[C@H](C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)[NH+](CC)CC ZINC000819584046 1276828100 /nfs/dbraw/zinc/82/81/00/1276828100.db2.gz CNZBJQGOHGPKOL-VQIMIIECSA-N 1 0 347.503 2.758 20 10 EFCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819587172 1276828829 /nfs/dbraw/zinc/82/88/29/1276828829.db2.gz XGARODUYFWZNGU-HOTGVXAUSA-N 1 0 347.503 2.804 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@H]1C1CCOCC1)OCO2 ZINC000819902509 1276941394 /nfs/dbraw/zinc/94/13/94/1276941394.db2.gz DVPPCMDMPDAQSM-GOSISDBHSA-N 1 0 331.412 2.902 20 10 EFCDRO Cc1cc(CCNC(=O)C2([NH+](C)C)CC2)c(C)n1-c1ccccc1 ZINC000820005644 1276967362 /nfs/dbraw/zinc/96/73/62/1276967362.db2.gz VKDVPIFNQXWSEL-UHFFFAOYSA-N 1 0 325.456 2.847 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)CN2CCOCC2)cc1F ZINC000789763149 1276971826 /nfs/dbraw/zinc/97/18/26/1276971826.db2.gz FOGLAWGYVBQOLI-INIZCTEOSA-N 1 0 337.483 2.824 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3c(c2)NC(=O)CO3)cc1 ZINC000789743484 1276981533 /nfs/dbraw/zinc/98/15/33/1276981533.db2.gz BDDAUJCSFPYVHI-UHFFFAOYSA-N 1 0 325.412 2.716 20 10 EFCDRO C[C@H]1CCC[C@@]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)(C(=O)[O-])C1 ZINC000789902442 1277088672 /nfs/dbraw/zinc/08/86/72/1277088672.db2.gz NZRXVVGGQXKHDS-JXFKEZNVSA-N 1 0 345.487 2.562 20 10 EFCDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000789966543 1277127876 /nfs/dbraw/zinc/12/78/76/1277127876.db2.gz HURMAXNLONVWCV-VXGBXAGGSA-N 1 0 338.423 2.723 20 10 EFCDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820385336 1277141212 /nfs/dbraw/zinc/14/12/12/1277141212.db2.gz IYNLXXGBIULNAY-CYBMUJFWSA-N 1 0 331.420 2.653 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)Cc2ccsc2C)cc1C ZINC001134845168 1287269605 /nfs/dbraw/zinc/26/96/05/1287269605.db2.gz WMVZXFJFUMYXIJ-UHFFFAOYSA-N 1 0 332.469 2.822 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000790467802 1277608201 /nfs/dbraw/zinc/60/82/01/1277608201.db2.gz JJYMQGSNXLWXNO-KRWDZBQOSA-N 1 0 332.492 2.672 20 10 EFCDRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1cccc(O)c1O ZINC000790668049 1277707984 /nfs/dbraw/zinc/70/79/84/1277707984.db2.gz JJUMVNOWIQKCOB-HNNXBMFYSA-N 1 0 332.444 2.872 20 10 EFCDRO COC(=O)c1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000822494562 1289014268 /nfs/dbraw/zinc/01/42/68/1289014268.db2.gz RBEJDAGIHOOYCP-AWEZNQCLSA-N 1 0 344.411 2.691 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000790748791 1277757927 /nfs/dbraw/zinc/75/79/27/1277757927.db2.gz QGEIMWLVXTXATC-AWEZNQCLSA-N 1 0 334.460 2.951 20 10 EFCDRO C[NH+](C)[C@H](CNC(=O)c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000790838040 1277785866 /nfs/dbraw/zinc/78/58/66/1277785866.db2.gz CJKDMLZLIDVYHM-CQSZACIVSA-N 1 0 334.803 2.784 20 10 EFCDRO COCCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000815081767 1287306223 /nfs/dbraw/zinc/30/62/23/1287306223.db2.gz NWUDIOQGHBBVJL-NVXWUHKLSA-N 1 0 345.439 2.672 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)Cc2ccc(F)cc2)cc1C ZINC001175050040 1287308452 /nfs/dbraw/zinc/30/84/52/1287308452.db2.gz HPIKQSXJMOXHCB-UHFFFAOYSA-N 1 0 344.430 2.981 20 10 EFCDRO CC[C@@]1([NH2+]Cc2cc(Br)cc(OC)c2O)CCOC1 ZINC000791002377 1277900348 /nfs/dbraw/zinc/90/03/48/1277900348.db2.gz GTXBNZPVWZVZHU-CQSZACIVSA-N 1 0 330.222 2.822 20 10 EFCDRO C[C@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)[NH+]1CCCCC1 ZINC000746975395 1277943948 /nfs/dbraw/zinc/94/39/48/1277943948.db2.gz IUXQIXOIJGGKDO-CQSZACIVSA-N 1 0 336.455 2.565 20 10 EFCDRO CCN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)cc1 ZINC000815119901 1287314341 /nfs/dbraw/zinc/31/43/41/1287314341.db2.gz KCUAWEJPVPNJQA-MISYRCLQSA-N 1 0 329.488 2.879 20 10 EFCDRO CCN(C)c1ccc(C[NH2+][C@H](C(N)=O)[C@H](C)c2ccccc2)cc1 ZINC000815121847 1287315511 /nfs/dbraw/zinc/31/55/11/1287315511.db2.gz YVFIPJHTYUPVEP-BEFAXECRSA-N 1 0 325.456 2.890 20 10 EFCDRO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)ccc1N(C)C ZINC000815100411 1287325211 /nfs/dbraw/zinc/32/52/11/1287325211.db2.gz NZEYJHPLOXACTR-AZUAARDMSA-N 1 0 331.504 2.794 20 10 EFCDRO COc1cc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC2CCCC2)cc(OC)n1 ZINC001134872240 1287327281 /nfs/dbraw/zinc/32/72/81/1287327281.db2.gz JHTOPIQNKHURDY-ZIAGYGMSSA-N 1 0 349.475 2.776 20 10 EFCDRO CCN(C)c1ccc(C[NH2+][C@@]2(CO)CCOc3ccccc32)cc1 ZINC000815108237 1287329852 /nfs/dbraw/zinc/32/98/52/1287329852.db2.gz SYMDYGZZFFWFPO-HXUWFJFHSA-N 1 0 326.440 2.903 20 10 EFCDRO COc1ccc(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c(O)c1 ZINC000792829001 1279188076 /nfs/dbraw/zinc/18/80/76/1279188076.db2.gz ORLZRUADHANSHJ-KRWDZBQOSA-N 1 0 349.475 2.711 20 10 EFCDRO COc1ccc(CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c(O)c1 ZINC000792832500 1279190147 /nfs/dbraw/zinc/19/01/47/1279190147.db2.gz SUXKQONEDHWAJI-HNNXBMFYSA-N 1 0 349.475 2.712 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000844726283 1279202890 /nfs/dbraw/zinc/20/28/90/1279202890.db2.gz SLILZODOIBLUJL-UHFFFAOYSA-N 1 0 344.411 2.698 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c1O ZINC000815158784 1287334487 /nfs/dbraw/zinc/33/44/87/1287334487.db2.gz AFYMNHSKWOVBJZ-BMIGLBTASA-N 1 0 344.249 2.804 20 10 EFCDRO Cc1ccc(CCC[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000792931939 1279283372 /nfs/dbraw/zinc/28/33/72/1279283372.db2.gz YTTHNURJLAAKTQ-UHFFFAOYSA-N 1 0 325.456 2.949 20 10 EFCDRO C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)[N@@H+]1CCC[C@@H](C)C1 ZINC000844879928 1279312441 /nfs/dbraw/zinc/31/24/41/1279312441.db2.gz NPCIOVZGQHVNTM-OLZOCXBDSA-N 1 0 339.867 2.965 20 10 EFCDRO CC(C)N1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1=O ZINC000792989751 1279317932 /nfs/dbraw/zinc/31/79/32/1279317932.db2.gz LFDWXABNUTUIQS-ZDUSSCGKSA-N 1 0 343.393 2.870 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NCC[N@H+]2CC=CCC2)cc1F ZINC000792994477 1279318458 /nfs/dbraw/zinc/31/84/58/1279318458.db2.gz FQQWBPGBZFMTMV-UHFFFAOYSA-N 1 0 348.466 2.733 20 10 EFCDRO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793007731 1279325197 /nfs/dbraw/zinc/32/51/97/1279325197.db2.gz BDZFLCJXHNZZHX-ZDUSSCGKSA-N 1 0 343.393 2.872 20 10 EFCDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793007726 1279325724 /nfs/dbraw/zinc/32/57/24/1279325724.db2.gz BDZFLCJXHNZZHX-CYBMUJFWSA-N 1 0 343.393 2.872 20 10 EFCDRO C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)[NH+]1CCCCC1 ZINC000844908712 1279327192 /nfs/dbraw/zinc/32/71/92/1279327192.db2.gz XJNYRUOFNMNZEM-LBPRGKRZSA-N 1 0 325.840 2.719 20 10 EFCDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1cc(Cl)ccc1O ZINC000844914277 1279334796 /nfs/dbraw/zinc/33/47/96/1279334796.db2.gz GJXFZHBZCJRUDR-CHWSQXEVSA-N 1 0 339.867 2.965 20 10 EFCDRO C[N@H+](CCNC(=O)NCc1cc(Cl)ccc1O)Cc1ccccc1 ZINC000844909718 1279358334 /nfs/dbraw/zinc/35/83/34/1279358334.db2.gz JBJVNABHDHHAJV-UHFFFAOYSA-N 1 0 347.846 2.977 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c(C(F)(F)F)c1 ZINC000793096750 1279375227 /nfs/dbraw/zinc/37/52/27/1279375227.db2.gz CLTBPYZKBXLBTG-CQSZACIVSA-N 1 0 339.365 2.810 20 10 EFCDRO COc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c(O)c1 ZINC000793106147 1279379568 /nfs/dbraw/zinc/37/95/68/1279379568.db2.gz GKQLBMWWSZBFQE-HNNXBMFYSA-N 1 0 349.475 2.568 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3cc[nH]c3)C2)cc1C ZINC001091042464 1279391379 /nfs/dbraw/zinc/39/13/79/1279391379.db2.gz CKNMDVAAECTUCJ-UHFFFAOYSA-N 1 0 327.428 2.630 20 10 EFCDRO CCC[NH+]1CCC(NC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000845016507 1279397003 /nfs/dbraw/zinc/39/70/03/1279397003.db2.gz PILCVCFVFQEKOC-UHFFFAOYSA-N 1 0 325.840 2.719 20 10 EFCDRO O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000845151963 1279464930 /nfs/dbraw/zinc/46/49/30/1279464930.db2.gz IHABUORFSLNHDJ-HNNXBMFYSA-N 1 0 337.851 2.862 20 10 EFCDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)n(C)n1 ZINC000793523944 1279716459 /nfs/dbraw/zinc/71/64/59/1279716459.db2.gz QUPDQICCJNCCGK-AWEZNQCLSA-N 1 0 346.450 2.680 20 10 EFCDRO C[N@H+](CCc1cccc(C(F)(F)F)n1)Cc1c(O)cc(O)cc1O ZINC001144500292 1279741662 /nfs/dbraw/zinc/74/16/62/1279741662.db2.gz QQMKHOUEFLQICA-UHFFFAOYSA-N 1 0 342.317 2.892 20 10 EFCDRO C[C@@H](O)CN1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)[C@H](C)C1 ZINC000793589818 1279759650 /nfs/dbraw/zinc/75/96/50/1279759650.db2.gz MMUOLGOWOGAOLX-IAGOWNOFSA-N 1 0 340.467 2.946 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)[C@H](C)CN1Cc1ccccc1 ZINC001144520372 1279762904 /nfs/dbraw/zinc/76/29/04/1279762904.db2.gz NIYTVFWLHTWJOV-HUUCEWRRSA-N 1 0 342.439 2.898 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)c(O)c1 ZINC001144509193 1279769223 /nfs/dbraw/zinc/76/92/23/1279769223.db2.gz ONJZSFFQLAJXRY-CRAIPNDOSA-N 1 0 340.423 2.510 20 10 EFCDRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1c(O)cccc1OC ZINC000793610064 1279772612 /nfs/dbraw/zinc/77/26/12/1279772612.db2.gz OCTZFDHSRSGAKU-HOCLYGCPSA-N 1 0 343.423 2.911 20 10 EFCDRO Cc1ccc(N2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)c(C)c1 ZINC001144514897 1279773874 /nfs/dbraw/zinc/77/38/74/1279773874.db2.gz WWPZTXVNTLBCRN-UHFFFAOYSA-N 1 0 328.412 2.742 20 10 EFCDRO CC(C)c1noc([C@H]2CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)n1 ZINC001144514678 1279774333 /nfs/dbraw/zinc/77/43/33/1279774333.db2.gz ONRJKZGVAFSXNC-NSHDSACASA-N 1 0 333.388 2.689 20 10 EFCDRO CCCc1noc([C@H]2CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)n1 ZINC001144514746 1279774426 /nfs/dbraw/zinc/77/44/26/1279774426.db2.gz QQFRSRHIAXUOHG-NSHDSACASA-N 1 0 333.388 2.519 20 10 EFCDRO C[C@]1(c2ccc(F)cc2)C[N@H+](Cc2c(O)cc(O)cc2O)CCO1 ZINC001144514763 1279774745 /nfs/dbraw/zinc/77/47/45/1279774745.db2.gz RGRGCGLJTGLZRG-GOSISDBHSA-N 1 0 333.359 2.690 20 10 EFCDRO Cc1cccnc1OC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144516009 1279778111 /nfs/dbraw/zinc/77/81/11/1279778111.db2.gz MTSLMMKRRFJDNH-UHFFFAOYSA-N 1 0 330.384 2.550 20 10 EFCDRO CCOC(=O)C1(C(C)C)CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144515940 1279778275 /nfs/dbraw/zinc/77/82/75/1279778275.db2.gz JYAFBULVTICDGS-UHFFFAOYSA-N 1 0 337.416 2.605 20 10 EFCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c(O)c1 ZINC001144516397 1279778882 /nfs/dbraw/zinc/77/88/82/1279778882.db2.gz XPZMNUGPBVGVSQ-QAPCUYQASA-N 1 0 340.423 2.510 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc1C(C)C ZINC000793695647 1279830734 /nfs/dbraw/zinc/83/07/34/1279830734.db2.gz JAOJCZLQZYRFHT-CQSZACIVSA-N 1 0 325.474 2.691 20 10 EFCDRO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000793734700 1279849936 /nfs/dbraw/zinc/84/99/36/1279849936.db2.gz YCSZRCVYSJYKNO-ZDUSSCGKSA-N 1 0 344.386 2.971 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(c3cnccn3)CC2)c1 ZINC000845972263 1279950044 /nfs/dbraw/zinc/95/00/44/1279950044.db2.gz QBZSSYHFSNVMBR-CYBMUJFWSA-N 1 0 328.416 2.510 20 10 EFCDRO Cc1ccc(O)c(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)c1 ZINC000845999788 1279968804 /nfs/dbraw/zinc/96/88/04/1279968804.db2.gz LWIPYXOHRIHXSF-LJQANCHMSA-N 1 0 336.435 2.906 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)c1O ZINC000846148549 1280036827 /nfs/dbraw/zinc/03/68/27/1280036827.db2.gz GGRXKXKICLOQNF-ZDUSSCGKSA-N 1 0 349.452 2.796 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c1O ZINC000846150543 1280038244 /nfs/dbraw/zinc/03/82/44/1280038244.db2.gz RGGDBIVTJHUBCP-UKRRQHHQSA-N 1 0 332.444 2.843 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)c1O ZINC000846150854 1280038728 /nfs/dbraw/zinc/03/87/28/1280038728.db2.gz RRNOTSFFVXTEAC-CHWSQXEVSA-N 1 0 331.391 2.864 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@H](C)C(=O)NCCc2ccccc2)c1O ZINC000846169789 1280046448 /nfs/dbraw/zinc/04/64/48/1280046448.db2.gz UDBZNOSNRSVLEK-LSDHHAIUSA-N 1 0 342.439 2.799 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CCn2cc(Br)cn2)c1O ZINC000846173559 1280048153 /nfs/dbraw/zinc/04/81/53/1280048153.db2.gz SQLCNUNDBLDARA-JTQLQIEISA-N 1 0 340.221 2.711 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c1O ZINC000846173932 1280048521 /nfs/dbraw/zinc/04/85/21/1280048521.db2.gz UUJLLBXQSXXBPY-CABCVRRESA-N 1 0 347.459 2.732 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1O ZINC000846173935 1280048703 /nfs/dbraw/zinc/04/87/03/1280048703.db2.gz UUJLLBXQSXXBPY-LSDHHAIUSA-N 1 0 347.459 2.732 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccco3)CC2)c1O ZINC000846137777 1280049448 /nfs/dbraw/zinc/04/94/48/1280049448.db2.gz GVJYOWYHYRNFAK-ZDUSSCGKSA-N 1 0 344.411 2.949 20 10 EFCDRO COCCOc1ccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)cn1 ZINC000846140798 1280049850 /nfs/dbraw/zinc/04/98/50/1280049850.db2.gz FGNGQLQFHGNMTQ-ZDUSSCGKSA-N 1 0 332.400 2.672 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)COc2cccc(F)c2)c1O ZINC000846141906 1280050171 /nfs/dbraw/zinc/05/01/71/1280050171.db2.gz BPMBPYYERWQFHN-GXTWGEPZSA-N 1 0 335.375 2.630 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)c1O ZINC000846142143 1280050547 /nfs/dbraw/zinc/05/05/47/1280050547.db2.gz CEBGWKDXEAYVGF-TZMCWYRMSA-N 1 0 335.375 2.630 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)c1O ZINC000846142561 1280050973 /nfs/dbraw/zinc/05/09/73/1280050973.db2.gz VKRQRRAXYJPCLF-UONOGXRCSA-N 1 0 328.412 2.756 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CCNC(=O)c2cccc(C)c2)c1O ZINC000846141883 1280051024 /nfs/dbraw/zinc/05/10/24/1280051024.db2.gz BHMHZGVNFAKCAG-AWEZNQCLSA-N 1 0 328.412 2.790 20 10 EFCDRO CCN1C[C@@H](C[NH2+][C@H](C)c2cc(Br)ccc2O)CC1=O ZINC000846208359 1280055373 /nfs/dbraw/zinc/05/53/73/1280055373.db2.gz IYKOHQPEEYOTEF-GHMZBOCLSA-N 1 0 341.249 2.674 20 10 EFCDRO C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cc(Br)ccc1O ZINC000846214924 1280071206 /nfs/dbraw/zinc/07/12/06/1280071206.db2.gz OKTMOISRNVLJOD-NHYWBVRUSA-N 1 0 344.249 2.737 20 10 EFCDRO CC[C@@H](C(=O)NCc1cc(Cl)ccc1O)N1CCO[C@H](CC)C1 ZINC000846475723 1280191262 /nfs/dbraw/zinc/19/12/62/1280191262.db2.gz GSJXCKULTSVDAO-CABCVRRESA-N 1 0 340.851 2.551 20 10 EFCDRO CC[C@@H](C(=O)NCc1cc(Cl)ccc1O)N1CCO[C@@H](CC)C1 ZINC000846475724 1280191724 /nfs/dbraw/zinc/19/17/24/1280191724.db2.gz GSJXCKULTSVDAO-GJZGRUSLSA-N 1 0 340.851 2.551 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cn(C)c3ccccc23)cc1 ZINC000846663899 1280380982 /nfs/dbraw/zinc/38/09/82/1280380982.db2.gz RCGUQCDQQFFOMR-GOSISDBHSA-N 1 0 336.439 2.674 20 10 EFCDRO COc1ccc(N2CCC[N@H+](Cc3ccc4nonc4c3)CC2)cc1 ZINC000846778581 1280481197 /nfs/dbraw/zinc/48/11/97/1280481197.db2.gz XLIWCIYDRDQGOJ-UHFFFAOYSA-N 1 0 338.411 2.944 20 10 EFCDRO COc1ccc(N2CCC[N@H+](CCCc3cncn3C)CC2)cc1 ZINC000846778435 1280481222 /nfs/dbraw/zinc/48/12/22/1280481222.db2.gz WAWJDVSCJJTJPZ-UHFFFAOYSA-N 1 0 328.460 2.574 20 10 EFCDRO Cn1cncc1CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000846823872 1280519304 /nfs/dbraw/zinc/51/93/04/1280519304.db2.gz BDAINUYGODCPBC-SFHVURJKSA-N 1 0 329.444 2.740 20 10 EFCDRO COC1CCN(c2ccc(C[N@@H+]3CCN(C)C(C)(C)C3)cc2)CC1 ZINC000846888505 1280603210 /nfs/dbraw/zinc/60/32/10/1280603210.db2.gz IVYOJFDHQSENAJ-UHFFFAOYSA-N 1 0 331.504 2.828 20 10 EFCDRO Cc1cc(C[NH+]2CCC(N3CCOC[C@@H]3C)CC2)ccc1N(C)C ZINC000846915732 1280638388 /nfs/dbraw/zinc/63/83/88/1280638388.db2.gz AZUZCUXPUDADCX-KRWDZBQOSA-N 1 0 331.504 2.746 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C2(C(F)(F)F)CCC2)cc1C ZINC001130317377 1280704998 /nfs/dbraw/zinc/70/49/98/1280704998.db2.gz AAAVSUGVJOWOSQ-UHFFFAOYSA-N 1 0 344.377 2.942 20 10 EFCDRO COCC1(C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001134992898 1287444876 /nfs/dbraw/zinc/44/48/76/1287444876.db2.gz CGZJSUDBZHZYKT-JKSUJKDBSA-N 1 0 348.487 2.803 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)CCc2scnc2C)cc1C ZINC001146301913 1280889463 /nfs/dbraw/zinc/88/94/63/1280889463.db2.gz JBINJAKXUYVMHF-UHFFFAOYSA-N 1 0 347.484 2.607 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2csc(Cl)n2)cc1C ZINC001146819223 1281040939 /nfs/dbraw/zinc/04/09/39/1281040939.db2.gz MZIIDIBRRURDMY-UHFFFAOYSA-N 1 0 339.848 2.633 20 10 EFCDRO CC[C@H]([NH2+][C@@H](CCSC)C(=O)NC)c1cc(Cl)ccc1O ZINC000806663717 1281129828 /nfs/dbraw/zinc/12/98/28/1281129828.db2.gz RJPPJLHIEFQCPN-STQMWFEESA-N 1 0 330.881 2.954 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000103604107 1281307667 /nfs/dbraw/zinc/30/76/67/1281307667.db2.gz QXNILDNSSIXTIX-ZIAGYGMSSA-N 1 0 335.448 2.635 20 10 EFCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000807551106 1281346690 /nfs/dbraw/zinc/34/66/90/1281346690.db2.gz ZQFZLNWHGKAZAT-SFHVURJKSA-N 1 0 332.492 2.768 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2oc(C3CC3)nc2C)cc1C ZINC001135022825 1287491287 /nfs/dbraw/zinc/49/12/87/1287491287.db2.gz AEDLZYVQQYBWME-UHFFFAOYSA-N 1 0 343.427 2.697 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000103608302 1281363773 /nfs/dbraw/zinc/36/37/73/1281363773.db2.gz NOAYOIKFNMLNLJ-HUUCEWRRSA-N 1 0 349.475 2.883 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H](C)c2ccco2)cc1C ZINC001148107157 1281411731 /nfs/dbraw/zinc/41/17/31/1281411731.db2.gz LZJYHLPHKYEMHQ-HNNXBMFYSA-N 1 0 330.428 2.996 20 10 EFCDRO O=C(c1cccc(O)c1O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001148214776 1281454556 /nfs/dbraw/zinc/45/45/56/1281454556.db2.gz XAGHTEZRMQSCCV-UHFFFAOYSA-N 1 0 330.428 2.578 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)CCc2cncc(C)c2)cc1C ZINC001131137538 1281497026 /nfs/dbraw/zinc/49/70/26/1281497026.db2.gz CFVJEHKCMCDJQN-UHFFFAOYSA-N 1 0 341.455 2.546 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@]23CCO[C@@H]2CCCC3)cc1C ZINC001131212328 1281613467 /nfs/dbraw/zinc/61/34/67/1281613467.db2.gz NONGPWPSWPOWBV-QUCCMNQESA-N 1 0 346.471 2.559 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CCSC)C(=O)NC)cc1F ZINC000808437447 1281710620 /nfs/dbraw/zinc/71/06/20/1281710620.db2.gz NYROUCWOEBYDGM-HNNXBMFYSA-N 1 0 341.496 2.629 20 10 EFCDRO COc1ccc(N2CCC(NC(=O)[C@@H]3CCCCC[C@@H]3[NH3+])CC2)cc1 ZINC000872282772 1287520777 /nfs/dbraw/zinc/52/07/77/1287520777.db2.gz UMSYBEFUFSXYAX-MOPGFXCFSA-N 1 0 345.487 2.688 20 10 EFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)c1O ZINC000808685542 1281844449 /nfs/dbraw/zinc/84/44/49/1281844449.db2.gz SWKJDEKFNALQKD-NSHDSACASA-N 1 0 348.896 2.723 20 10 EFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c1O ZINC000808710310 1281867325 /nfs/dbraw/zinc/86/73/25/1281867325.db2.gz OYZNNMCEJBOHNS-WHOFXGATSA-N 1 0 340.851 2.640 20 10 EFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CCCCS2(=O)=O)c1O ZINC000808713094 1281869434 /nfs/dbraw/zinc/86/94/34/1281869434.db2.gz KFQYQUOYWVMAKG-WCQYABFASA-N 1 0 331.865 2.972 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)c1 ZINC000808722558 1281872506 /nfs/dbraw/zinc/87/25/06/1281872506.db2.gz FTXGCBPJQCMZNH-MZTNWIODSA-N 1 0 332.444 2.698 20 10 EFCDRO CN1CC[C@H]([N@H+](C)Cc2ccc3c(c2)CCN3Cc2ccccc2)C1=O ZINC000809580285 1282296489 /nfs/dbraw/zinc/29/64/89/1282296489.db2.gz MJNQKKOGWYALSJ-NRFANRHFSA-N 1 0 349.478 2.912 20 10 EFCDRO CC(C)(CO)[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000809655657 1282373393 /nfs/dbraw/zinc/37/33/93/1282373393.db2.gz NVTRIRYVDPGCEY-SFHVURJKSA-N 1 0 329.396 2.970 20 10 EFCDRO COCCOCc1ccc(C[NH2+]Cc2ccc(OC)cc2O)cc1 ZINC000809658568 1282374664 /nfs/dbraw/zinc/37/46/64/1282374664.db2.gz RIHWQMSNMBUTCB-UHFFFAOYSA-N 1 0 331.412 2.854 20 10 EFCDRO COc1cc(Br)cc(C[N@H+](C)[C@@H]2CCCOC2)c1O ZINC000809692713 1282380583 /nfs/dbraw/zinc/38/05/83/1282380583.db2.gz FJIBVVYURMTVRI-GFCCVEGCSA-N 1 0 330.222 2.774 20 10 EFCDRO CCOc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(O)c1 ZINC000809728274 1282408916 /nfs/dbraw/zinc/40/89/16/1282408916.db2.gz QPTMCOLXGVLAHA-UHFFFAOYSA-N 1 0 331.372 2.664 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@H](O)c2ccc(C)cc2)cc1OC ZINC000809701867 1282414956 /nfs/dbraw/zinc/41/49/56/1282414956.db2.gz NCAFJRCOEAWTKX-DJJJIMSYSA-N 1 0 331.412 2.930 20 10 EFCDRO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000809708922 1282420924 /nfs/dbraw/zinc/42/09/24/1282420924.db2.gz KVKYIGQDHQSEQW-HNNXBMFYSA-N 1 0 337.439 2.944 20 10 EFCDRO COc1cc(O)c(C[NH2+]Cc2ccc(C[S@](C)=O)cc2)cc1OC ZINC000809717861 1282424464 /nfs/dbraw/zinc/42/44/64/1282424464.db2.gz BXALDPFNYANBDP-DEOSSOPVSA-N 1 0 349.452 2.578 20 10 EFCDRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000809722835 1282427698 /nfs/dbraw/zinc/42/76/98/1282427698.db2.gz KJPDSKJIDPLTMS-CYBMUJFWSA-N 1 0 348.340 2.954 20 10 EFCDRO COc1cc(Cl)cc(CN(CC[NH+](C)C)C[C@@H]2CCCO2)c1O ZINC000809738068 1282437487 /nfs/dbraw/zinc/43/74/87/1282437487.db2.gz RBTHHJOAWJJCCS-HNNXBMFYSA-N 1 0 342.867 2.597 20 10 EFCDRO C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809741402 1282441004 /nfs/dbraw/zinc/44/10/04/1282441004.db2.gz OHFPEZSLRGUACF-UHFFFAOYSA-N 1 0 334.291 2.624 20 10 EFCDRO O[C@@H](CC[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000809747734 1282446504 /nfs/dbraw/zinc/44/65/04/1282446504.db2.gz VGNZVPIYGGPOGY-FQEVSTJZSA-N 1 0 326.440 2.737 20 10 EFCDRO CCN(CCC[NH+]1CCCC1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809749891 1282451510 /nfs/dbraw/zinc/45/15/10/1282451510.db2.gz MBTNYJHTKXTPAG-UHFFFAOYSA-N 1 0 349.494 2.970 20 10 EFCDRO C[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)C(F)(F)F ZINC000809750817 1282455687 /nfs/dbraw/zinc/45/56/87/1282455687.db2.gz JEVVJXDESGIBTM-SNVBAGLBSA-N 1 0 328.128 2.510 20 10 EFCDRO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809765349 1282465279 /nfs/dbraw/zinc/46/52/79/1282465279.db2.gz OEDRNCBDQJFVBN-QGZVFWFLSA-N 1 0 349.478 2.960 20 10 EFCDRO OC12C[C@@H]3C[C@H](C1)CC([NH2+]Cc1ccc(N4CCOCC4)cc1)(C3)C2 ZINC000809782256 1282482465 /nfs/dbraw/zinc/48/24/65/1282482465.db2.gz MMAQJSZDVPYFKA-FWGXRIOKSA-N 1 0 342.483 2.697 20 10 EFCDRO CN(CCC[N@H+](C)Cc1cc(Cl)cc(F)c1[O-])CC[NH+](C)C ZINC000809787363 1282483171 /nfs/dbraw/zinc/48/31/71/1282483171.db2.gz AELNHXBDOJPGDR-UHFFFAOYSA-N 1 0 331.863 2.500 20 10 EFCDRO CCCC[C@@H](C)[N@H+](C)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000810125546 1282908785 /nfs/dbraw/zinc/90/87/85/1282908785.db2.gz YPMQGOMIHNPNII-GFCCVEGCSA-N 1 0 334.420 2.622 20 10 EFCDRO COc1cccc(O)c1C[NH2+]Cc1cc(C)nc(N2CCCC2)c1 ZINC000810169355 1282965161 /nfs/dbraw/zinc/96/51/61/1282965161.db2.gz WTIUAMSODXXXFE-UHFFFAOYSA-N 1 0 327.428 2.994 20 10 EFCDRO C[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])N1CC[NH+](C)CC1 ZINC000815576824 1287609131 /nfs/dbraw/zinc/60/91/31/1287609131.db2.gz ZFYXPPBRBPMGHO-CHWSQXEVSA-N 1 0 345.409 2.698 20 10 EFCDRO C[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])N1CC[NH+](C)CC1 ZINC000815576825 1287609327 /nfs/dbraw/zinc/60/93/27/1287609327.db2.gz ZFYXPPBRBPMGHO-OLZOCXBDSA-N 1 0 345.409 2.698 20 10 EFCDRO Cn1cncc1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000810159766 1282992068 /nfs/dbraw/zinc/99/20/68/1282992068.db2.gz HPPPRESUUIGAGG-UHFFFAOYSA-N 1 0 329.404 2.608 20 10 EFCDRO CC[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000810216278 1283044000 /nfs/dbraw/zinc/04/40/00/1283044000.db2.gz SIABNBXXHYKMQH-GFCCVEGCSA-N 1 0 339.379 2.886 20 10 EFCDRO CC[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(C(F)(F)F)cc1O ZINC000810220272 1283048312 /nfs/dbraw/zinc/04/83/12/1283048312.db2.gz TUJBZOYAKKYGDA-ZFWWWQNUSA-N 1 0 343.349 2.919 20 10 EFCDRO CCCCC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)nc(OC)c2)CC[C@H]1C ZINC001132157282 1283061406 /nfs/dbraw/zinc/06/14/06/1283061406.db2.gz NIQCCOWIFAVDTM-ZBFHGGJFSA-N 1 0 349.475 2.872 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815594501 1287619126 /nfs/dbraw/zinc/61/91/26/1287619126.db2.gz QHKODEBXNWAQTR-IINYFYTJSA-N 1 0 333.350 2.849 20 10 EFCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815592727 1287619332 /nfs/dbraw/zinc/61/93/32/1287619332.db2.gz QMNXWHDVBIJSPN-NXEZZACHSA-N 1 0 339.379 2.885 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815595562 1287621530 /nfs/dbraw/zinc/62/15/30/1287621530.db2.gz VIBNRAXZLOXMPF-VHSXEESVSA-N 1 0 328.334 2.825 20 10 EFCDRO COc1csc(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001132251987 1283190834 /nfs/dbraw/zinc/19/08/34/1283190834.db2.gz SDXVWNHWZLSFCQ-UHFFFAOYSA-N 1 0 334.441 2.593 20 10 EFCDRO OCC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)COC1 ZINC000815597371 1287624484 /nfs/dbraw/zinc/62/44/84/1287624484.db2.gz UWEWYVHNWBBVIU-GOSISDBHSA-N 1 0 327.424 2.665 20 10 EFCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)c(O)c1 ZINC000815573662 1287631548 /nfs/dbraw/zinc/63/15/48/1287631548.db2.gz PUDIJCUBIUCXGF-SJORKVTESA-N 1 0 347.503 2.602 20 10 EFCDRO Oc1cc2ccccc2cc1CNc1ncccc1N1CC[NH2+]CC1 ZINC001171401962 1283451699 /nfs/dbraw/zinc/45/16/99/1283451699.db2.gz DIIFQVZWLZYUAL-UHFFFAOYSA-N 1 0 334.423 2.962 20 10 EFCDRO CCCc1[nH]ccc1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001132693985 1284139000 /nfs/dbraw/zinc/13/90/00/1284139000.db2.gz VMSOSBJMNWNLDM-UHFFFAOYSA-N 1 0 329.444 2.804 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc[nH]c2C(C)C)cc1C ZINC001132711891 1284153841 /nfs/dbraw/zinc/15/38/41/1284153841.db2.gz UIHRTIOTCYQDAM-UHFFFAOYSA-N 1 0 329.444 2.975 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)C2(C(F)F)CCC2)cc1C ZINC001132804971 1284298211 /nfs/dbraw/zinc/29/82/11/1284298211.db2.gz RXBZJOICMSEVNF-UHFFFAOYSA-N 1 0 326.387 2.645 20 10 EFCDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)c1 ZINC000811521027 1284372229 /nfs/dbraw/zinc/37/22/29/1284372229.db2.gz XJDVXTGAAVDEKE-KRWDZBQOSA-N 1 0 344.434 2.614 20 10 EFCDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000811863954 1284701949 /nfs/dbraw/zinc/70/19/49/1284701949.db2.gz HLYYFVVYIIKQII-INIZCTEOSA-N 1 0 332.492 2.815 20 10 EFCDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000811884340 1284728632 /nfs/dbraw/zinc/72/86/32/1284728632.db2.gz DKYXHRMWSVBSJC-INIZCTEOSA-N 1 0 330.476 2.591 20 10 EFCDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000811954569 1284746736 /nfs/dbraw/zinc/74/67/36/1284746736.db2.gz VUWLRLQIZMCHCF-OAHLLOKOSA-N 1 0 332.492 2.597 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)Cc2ccco2)cc1C ZINC001135186270 1287736000 /nfs/dbraw/zinc/73/60/00/1287736000.db2.gz CJOGFXGQSYVCDW-OAHLLOKOSA-N 1 0 330.428 2.681 20 10 EFCDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000811971584 1284787323 /nfs/dbraw/zinc/78/73/23/1284787323.db2.gz CSIRKQIQPPQOJX-KGLIPLIRSA-N 1 0 337.464 2.881 20 10 EFCDRO COc1cccc(O)c1CN1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000822504316 1289018300 /nfs/dbraw/zinc/01/83/00/1289018300.db2.gz RQZYOBWGGFICNN-IYBDPMFKSA-N 1 0 349.333 2.703 20 10 EFCDRO CCC[NH2+]C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1C ZINC001133353550 1285246348 /nfs/dbraw/zinc/24/63/48/1285246348.db2.gz DNMCXBCUYHOWJD-HIFRSBDPSA-N 1 0 345.447 2.947 20 10 EFCDRO CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)CC[C@@H]21 ZINC001036905345 1285401575 /nfs/dbraw/zinc/40/15/75/1285401575.db2.gz IEUYGCIKZYITIB-HOCLYGCPSA-N 1 0 343.431 2.795 20 10 EFCDRO COc1cccc(O)c1CNc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000812776276 1285410533 /nfs/dbraw/zinc/41/05/33/1285410533.db2.gz BHEPVFGOEUOIBH-MRXNPFEDSA-N 1 0 328.412 2.580 20 10 EFCDRO COc1cccc(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1O ZINC000812778096 1285411966 /nfs/dbraw/zinc/41/19/66/1285411966.db2.gz GODFVJYDGDBGPX-QGZVFWFLSA-N 1 0 328.412 2.580 20 10 EFCDRO COc1cc(O)c(C[NH2+]Cc2ccc3cnn(C)c3c2)cc1OC ZINC000812770441 1285425139 /nfs/dbraw/zinc/42/51/39/1285425139.db2.gz LKWIEBZAJVSZGY-UHFFFAOYSA-N 1 0 327.384 2.586 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](C)Cn3cccn3)CC2)cc1 ZINC000812825232 1285435260 /nfs/dbraw/zinc/43/52/60/1285435260.db2.gz JLFVHPMJBKBCEG-MRXNPFEDSA-N 1 0 328.460 2.786 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)C[C@](C)(O)c2ccccc2)cc1OC ZINC000822515474 1289022444 /nfs/dbraw/zinc/02/24/44/1289022444.db2.gz BDVYHPAXHIQGKW-IBGZPJMESA-N 1 0 331.412 2.749 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccc(Cl)cn2)cc1C ZINC001171682730 1285713925 /nfs/dbraw/zinc/71/39/25/1285713925.db2.gz OXOCEMPCDWIYCW-UHFFFAOYSA-N 1 0 347.846 2.962 20 10 EFCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H](O)C(F)(F)F ZINC000813326844 1285794689 /nfs/dbraw/zinc/79/46/89/1285794689.db2.gz ADBNHXXGLHMTFL-HOTGVXAUSA-N 1 0 346.393 2.561 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccccc2OC)cc1C ZINC001171830773 1285810911 /nfs/dbraw/zinc/81/09/11/1285810911.db2.gz RAOGLBAJSXRKIP-UHFFFAOYSA-N 1 0 342.439 2.922 20 10 EFCDRO COc1cccc(C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001171903398 1285890742 /nfs/dbraw/zinc/89/07/42/1285890742.db2.gz HDNQDKRLPCEPPS-UHFFFAOYSA-N 1 0 342.439 2.922 20 10 EFCDRO COCCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133797406 1285968431 /nfs/dbraw/zinc/96/84/31/1285968431.db2.gz DDHAYZXMBWLORH-HOTGVXAUSA-N 1 0 336.476 2.803 20 10 EFCDRO Cc1cc(CN2C[C@@H]([NH3+])CC(F)(F)C2)c(O)cc1Br ZINC001206155947 1286002787 /nfs/dbraw/zinc/00/27/87/1286002787.db2.gz NGQLIRNHLASDME-JTQLQIEISA-N 1 0 335.192 2.631 20 10 EFCDRO COc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)O4)CC2)c(OC)c1 ZINC001172233547 1286065214 /nfs/dbraw/zinc/06/52/14/1286065214.db2.gz VOZVLIGOSYHMOP-ZXFUBFMLSA-N 1 0 332.444 2.536 20 10 EFCDRO CCOc1ccc(N2CC[NH+]([C@@H]3CCC[C@@H](C(=O)OC)C3)CC2)cc1 ZINC001172638849 1286215736 /nfs/dbraw/zinc/21/57/36/1286215736.db2.gz ZBOPQQCXJOGIMC-SJLPKXTDSA-N 1 0 346.471 2.939 20 10 EFCDRO COC(=O)[C@H]1CCC[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001172806794 1286285182 /nfs/dbraw/zinc/28/51/82/1286285182.db2.gz KESAVTKGSLTORT-XJKSGUPXSA-N 1 0 333.428 2.968 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2ccco2)cc1C ZINC001134131942 1286360354 /nfs/dbraw/zinc/36/03/54/1286360354.db2.gz KWHCDZBFLGFXHW-HZPDHXFCSA-N 1 0 328.412 2.606 20 10 EFCDRO O=C(c1ccc(F)cc1)N1CCC([NH2+]Cc2cccc(O)c2O)CC1 ZINC001173001024 1286378900 /nfs/dbraw/zinc/37/89/00/1286378900.db2.gz ZUAJHURTIHBHJX-UHFFFAOYSA-N 1 0 344.386 2.631 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2=CCOCC2)cc1C ZINC001134196308 1286455394 /nfs/dbraw/zinc/45/53/94/1286455394.db2.gz CBBSDHYFCAIVQY-HZPDHXFCSA-N 1 0 346.471 2.723 20 10 EFCDRO COc1cccc2c1C[C@@H]([N@@H+]1CCCc3cc(O)c(O)cc3C1)CO2 ZINC001173167894 1286464741 /nfs/dbraw/zinc/46/47/41/1286464741.db2.gz LRJIBHHJURVAID-OAHLLOKOSA-N 1 0 341.407 2.858 20 10 EFCDRO Cc1cc(O)c(CN2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1Br ZINC001206196400 1286485089 /nfs/dbraw/zinc/48/50/89/1286485089.db2.gz BZMCLYDWXCAMBS-OLZOCXBDSA-N 1 0 331.229 2.724 20 10 EFCDRO CCC[C@H](C)C(=O)NCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000814300410 1286503029 /nfs/dbraw/zinc/50/30/29/1286503029.db2.gz JHULYFJAWPYPCN-INIZCTEOSA-N 1 0 347.503 2.806 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc(C)ccc2F)cc1C ZINC001134359575 1286591921 /nfs/dbraw/zinc/59/19/21/1286591921.db2.gz HDYOONKASWGEKW-UHFFFAOYSA-N 1 0 330.403 2.971 20 10 EFCDRO c1nnn([C@H]2CCC[C@H]([NH2+]Cc3ccc(N4CCCC4)cc3)C2)n1 ZINC001173734816 1286771465 /nfs/dbraw/zinc/77/14/65/1286771465.db2.gz OVKIWBUTSDRHDX-WMZOPIPTSA-N 1 0 326.448 2.547 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)CO[C@@H]2CCCC[C@@H]2C)cc1C ZINC001134636763 1286972035 /nfs/dbraw/zinc/97/20/35/1286972035.db2.gz TUHMXUPRDPINNQ-HNAYVOBHSA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)CO[C@H]2CCC[C@H](C)C2)cc1C ZINC001134622342 1286980053 /nfs/dbraw/zinc/98/00/53/1286980053.db2.gz IWTBTWCXXWJGJT-YJBOKZPZSA-N 1 0 348.487 2.805 20 10 EFCDRO CS(=O)(=O)N(c1ccc(N)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC001176198967 1287916336 /nfs/dbraw/zinc/91/63/36/1287916336.db2.gz PRPBYIREKFBFGI-UHFFFAOYSA-N 1 0 345.468 2.962 20 10 EFCDRO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816496301 1288163559 /nfs/dbraw/zinc/16/35/59/1288163559.db2.gz DRKAYCZARBVPTJ-GOSISDBHSA-N 1 0 347.455 2.780 20 10 EFCDRO Oc1c(C[NH+]2CCN(c3ncc(F)cn3)CC2)ccc2ccccc21 ZINC000816569269 1288211933 /nfs/dbraw/zinc/21/19/33/1288211933.db2.gz FJTYPOUOSUVFBR-UHFFFAOYSA-N 1 0 338.386 2.797 20 10 EFCDRO OCC1([C@@H]([NH2+]Cc2cc(Cl)ccc2O)C2CC2)CCOCC1 ZINC000816656994 1288230278 /nfs/dbraw/zinc/23/02/78/1288230278.db2.gz IBLCAFSYMVKENB-INIZCTEOSA-N 1 0 325.836 2.703 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)cc1 ZINC000816667139 1288235893 /nfs/dbraw/zinc/23/58/93/1288235893.db2.gz DGBXQJRXRQJIPW-VQTJNVASSA-N 1 0 332.488 2.943 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)cc1 ZINC000816667138 1288236030 /nfs/dbraw/zinc/23/60/30/1288236030.db2.gz DGBXQJRXRQJIPW-UXHICEINSA-N 1 0 332.488 2.943 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](O)CC2)c1O ZINC000816667457 1288236323 /nfs/dbraw/zinc/23/63/23/1288236323.db2.gz NTLHOUBCGNGOKS-LBPRGKRZSA-N 1 0 330.222 2.510 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NCCC[NH2+]Cc2ccsc2)cc1 ZINC001177237854 1288342126 /nfs/dbraw/zinc/34/21/26/1288342126.db2.gz NQWOFCGXVQKIOP-UHFFFAOYSA-N 1 0 345.428 2.820 20 10 EFCDRO C[NH+](C)C1CCC(NC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000817153849 1288444673 /nfs/dbraw/zinc/44/46/73/1288444673.db2.gz FGXAWYDYTSSGBS-UHFFFAOYSA-N 1 0 344.503 2.959 20 10 EFCDRO CCC[C@H]1C[C@H](C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)CCO1 ZINC001135850296 1288484264 /nfs/dbraw/zinc/48/42/64/1288484264.db2.gz MLCMPZPSYPSOKG-MSOLQXFVSA-N 1 0 348.487 2.805 20 10 EFCDRO CCC[C@@H]1C[C@@H](C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)CCO1 ZINC001135850299 1288484396 /nfs/dbraw/zinc/48/43/96/1288484396.db2.gz MLCMPZPSYPSOKG-ZWKOTPCHSA-N 1 0 348.487 2.805 20 10 EFCDRO CN(Cc1cccc(CN2CCOCC2)c1)c1ccc2c(c1)OCO2 ZINC000817276156 1288520464 /nfs/dbraw/zinc/52/04/64/1288520464.db2.gz SSXUZWFSQKSWNV-UHFFFAOYSA-N 1 0 340.423 2.884 20 10 EFCDRO COc1ccc(C[NH2+]CCCCCCNC(=O)[C@H]2CCCO2)cc1C ZINC001177850847 1288571020 /nfs/dbraw/zinc/57/10/20/1288571020.db2.gz QDWTZYKIPNOJQB-LJQANCHMSA-N 1 0 348.487 2.949 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1)[C@@H](O)CO2 ZINC000817365478 1288579161 /nfs/dbraw/zinc/57/91/61/1288579161.db2.gz UDNPCIWEMZUGOH-YGRLFVJLSA-N 1 0 331.334 2.982 20 10 EFCDRO CCCN1C[C@H](C[NH2+]Cc2ccc(OC)c(COCC)c2)CC1=O ZINC000817411137 1288590520 /nfs/dbraw/zinc/59/05/20/1288590520.db2.gz NSEASKDZXARUGS-INIZCTEOSA-N 1 0 334.460 2.580 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCCC(C)=O)[C@H]2C)cc1C ZINC001178120342 1288664624 /nfs/dbraw/zinc/66/46/24/1288664624.db2.gz KUCUASLZSRPKEM-WMZOPIPTSA-N 1 0 346.471 2.842 20 10 EFCDRO CC[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1cc(Br)ccc1O ZINC000817585578 1288665081 /nfs/dbraw/zinc/66/50/81/1288665081.db2.gz GUKCYWZDGJLWGM-GFCCVEGCSA-N 1 0 341.249 2.851 20 10 EFCDRO CON1CCC([NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000817588763 1288666138 /nfs/dbraw/zinc/66/61/38/1288666138.db2.gz RCGVOQYFHLROBE-SNVBAGLBSA-N 1 0 329.238 2.831 20 10 EFCDRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001178701852 1288877537 /nfs/dbraw/zinc/87/75/37/1288877537.db2.gz PEHKLSICYRAPSK-AWEZNQCLSA-N 1 0 333.819 2.694 20 10 EFCDRO CC/C(C)=C/C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000822238119 1288913741 /nfs/dbraw/zinc/91/37/41/1288913741.db2.gz TXFOJLBYLPXYLD-WUKNDPDISA-N 1 0 345.487 2.680 20 10 EFCDRO CCC[N@@H+]1CC[C@@H](NC(=O)N(CC)Cc2ccc(N(C)C)cc2)C1 ZINC000823054502 1289189764 /nfs/dbraw/zinc/18/97/64/1289189764.db2.gz SBUHEAVKZUZRDA-QGZVFWFLSA-N 1 0 332.492 2.768 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@@H]2CC[C@@H](C)O2)cc1C ZINC001165836577 1312690544 /nfs/dbraw/zinc/69/05/44/1312690544.db2.gz BKADYICCWGOXDU-WBVHZDCISA-N 1 0 334.460 2.557 20 10 EFCDRO CCN(C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cc(O)ccc1O)C(C)C ZINC001277659977 1312693110 /nfs/dbraw/zinc/69/31/10/1312693110.db2.gz KZCCXGOXLOXJOH-SPLQCWDRSA-N 1 0 346.471 2.859 20 10 EFCDRO COC1([C@@H](C)[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)CCOCC1 ZINC000903447724 1312693141 /nfs/dbraw/zinc/69/31/41/1312693141.db2.gz BQUFDUJHOXNKOY-VQIMIIECSA-N 1 0 349.519 2.529 20 10 EFCDRO CC[C@H]1CN(C)CC[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000823189835 1289230191 /nfs/dbraw/zinc/23/01/91/1289230191.db2.gz SCSJZTOWLQTIJM-SFHVURJKSA-N 1 0 331.504 2.828 20 10 EFCDRO Cc1cc([C@H](C)[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)n(C)n1 ZINC000903447937 1312693763 /nfs/dbraw/zinc/69/37/63/1312693763.db2.gz GJFCNNZETRZUDQ-HNAYVOBHSA-N 1 0 329.492 2.748 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCC23CCOCC3)N(C)C)cc1 ZINC000903447825 1312693765 /nfs/dbraw/zinc/69/37/65/1312693765.db2.gz CVYATUJNPHDDOD-OALUTQOASA-N 1 0 331.504 2.904 20 10 EFCDRO C[C@@H]1C[C@H](NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c2nccn21 ZINC000903447865 1312693805 /nfs/dbraw/zinc/69/38/05/1312693805.db2.gz DPFRXDUYPJYSRS-FHLIZLRMSA-N 1 0 327.476 2.847 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cc[nH]c(=O)c1 ZINC000903448007 1312694071 /nfs/dbraw/zinc/69/40/71/1312694071.db2.gz HOIUEASLNGAAMB-RDTXWAMCSA-N 1 0 328.460 2.807 20 10 EFCDRO CC[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cnn(C)c1 ZINC000903447741 1312694094 /nfs/dbraw/zinc/69/40/94/1312694094.db2.gz BWCJDTQFCPNNFE-RTBURBONSA-N 1 0 329.492 2.830 20 10 EFCDRO CC[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cnn(C)c1 ZINC000903447740 1312694194 /nfs/dbraw/zinc/69/41/94/1312694194.db2.gz BWCJDTQFCPNNFE-RBUKOAKNSA-N 1 0 329.492 2.830 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]C2CCC3(CC2)OCCO3)N(C)C)cc1 ZINC000903447954 1312694245 /nfs/dbraw/zinc/69/42/45/1312694245.db2.gz GTSAAHGXWZOJSU-LJQANCHMSA-N 1 0 347.503 2.631 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@]3(CCCO3)C2)c2ccccc2n1C ZINC001232401973 1312694284 /nfs/dbraw/zinc/69/42/84/1312694284.db2.gz HFVWGBRFOVDGEJ-LJQANCHMSA-N 1 0 328.412 2.720 20 10 EFCDRO COC(=O)c1c(C[NH+]2CCC3(COC3)CC2)c2ccccc2n1C ZINC001232402196 1312694295 /nfs/dbraw/zinc/69/42/95/1312694295.db2.gz IUUVPZJUPXKDPU-UHFFFAOYSA-N 1 0 328.412 2.577 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@@H](C(C)=O)C2)c2ccccc2n1C ZINC001232405176 1312694945 /nfs/dbraw/zinc/69/49/45/1312694945.db2.gz HQLWHWMSHNVJPT-CQSZACIVSA-N 1 0 328.412 2.766 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@@]23CCOC3)c2ccccc2n1C ZINC001232403629 1312695029 /nfs/dbraw/zinc/69/50/29/1312695029.db2.gz AEDIGLIBSPPNIU-IBGZPJMESA-N 1 0 328.412 2.720 20 10 EFCDRO COC(=O)c1c(C[NH+]2CCC3(CCO3)CC2)c2ccccc2n1C ZINC001232405224 1312695307 /nfs/dbraw/zinc/69/53/07/1312695307.db2.gz IOUHEEDZTFTMRX-UHFFFAOYSA-N 1 0 328.412 2.720 20 10 EFCDRO C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cc2n(n1)CCC2 ZINC000903449206 1312695592 /nfs/dbraw/zinc/69/55/92/1312695592.db2.gz WQJOCYIIENQOST-QRWLVFNGSA-N 1 0 341.503 2.849 20 10 EFCDRO Oc1ccc([C@H](O)C[NH2+][C@H]2CCc3c(Cl)cccc3C2)cc1O ZINC001171013365 1289267174 /nfs/dbraw/zinc/26/71/74/1289267174.db2.gz UADFPMRQFRCFCE-SCLBCKFNSA-N 1 0 333.815 2.932 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@@H](CCO)C2)c2ccccc2n1C ZINC001232405757 1312696033 /nfs/dbraw/zinc/69/60/33/1312696033.db2.gz PRTANRXUQHDJCL-AWEZNQCLSA-N 1 0 330.428 2.559 20 10 EFCDRO COC[C@H](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001179828968 1289290246 /nfs/dbraw/zinc/29/02/46/1289290246.db2.gz SGOVACMSEKZWDU-HFTRVMKXSA-N 1 0 348.487 2.755 20 10 EFCDRO CCOC(=O)CN(CCC[NH+]1CCCCC1)Cc1ccccc1O ZINC000823576202 1289337341 /nfs/dbraw/zinc/33/73/41/1289337341.db2.gz JAAFMMJJVGNAQV-UHFFFAOYSA-N 1 0 334.460 2.633 20 10 EFCDRO CCC[NH+]1C[C@@H]2CN(C(=O)/C=C/c3ccc(N(C)C)cc3)C[C@H]2C1 ZINC001180126199 1289427255 /nfs/dbraw/zinc/42/72/55/1289427255.db2.gz IVNRBBLVZXRVJZ-CVRCPQJVSA-N 1 0 327.472 2.566 20 10 EFCDRO COCC[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001180177325 1289428658 /nfs/dbraw/zinc/42/86/58/1289428658.db2.gz KBCNIGBDTWVCFJ-HFTRVMKXSA-N 1 0 348.487 2.755 20 10 EFCDRO COc1ccc(O)c(C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000823871914 1289463918 /nfs/dbraw/zinc/46/39/18/1289463918.db2.gz RHPHXMAOLAKYPU-ZDUSSCGKSA-N 1 0 349.452 2.698 20 10 EFCDRO Cc1cc(CC[NH2+][C@@H]2CCNC(=O)CC2)c(C)n1-c1ccccc1 ZINC000873009381 1289516673 /nfs/dbraw/zinc/51/66/73/1289516673.db2.gz KINNNTQFNAMTFU-SFHVURJKSA-N 1 0 325.456 2.895 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc1Cn1cccn1 ZINC000873021170 1289524627 /nfs/dbraw/zinc/52/46/27/1289524627.db2.gz JOLCVDQGFIDPHQ-PZJWPPBQSA-N 1 0 349.434 2.688 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](O)C2CCCCC2)cc1Cn1cccn1 ZINC000873038398 1289534874 /nfs/dbraw/zinc/53/48/74/1289534874.db2.gz QQLPCUDTWJQVOW-IBGZPJMESA-N 1 0 343.471 2.971 20 10 EFCDRO COc1ccc(C[NH2+]CCc2c(C)noc2C)cc1Cn1cccn1 ZINC000873048352 1289539495 /nfs/dbraw/zinc/53/94/95/1289539495.db2.gz YBTVFDIJVLOFOC-UHFFFAOYSA-N 1 0 340.427 2.877 20 10 EFCDRO COc1ccc(C[NH2+]CCOc2cccnc2)cc1Cn1cccn1 ZINC000873050507 1289540445 /nfs/dbraw/zinc/54/04/45/1289540445.db2.gz OWNWJZQEWDNSJT-UHFFFAOYSA-N 1 0 338.411 2.504 20 10 EFCDRO COc1ccc(C[NH2+][C@H](CO)c2ccccc2)cc1Cn1cccn1 ZINC000873051455 1289540975 /nfs/dbraw/zinc/54/09/75/1289540975.db2.gz CNAPKKNZMLIZBL-LJQANCHMSA-N 1 0 337.423 2.763 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccsc2)cc1Cn1cccn1 ZINC000873059215 1289544357 /nfs/dbraw/zinc/54/43/57/1289544357.db2.gz YNGFFAIXCINEIW-QGZVFWFLSA-N 1 0 343.452 2.825 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1Cn1cccn1 ZINC000873060568 1289545556 /nfs/dbraw/zinc/54/55/56/1289545556.db2.gz JGKUFWGXQCNJTM-QAPCUYQASA-N 1 0 329.444 2.581 20 10 EFCDRO COc1ccc(C[NH2+]C[C@](C)(O)c2ccco2)cc1Cn1cccn1 ZINC000873061718 1289546536 /nfs/dbraw/zinc/54/65/36/1289546536.db2.gz KTWJJSJMQHWQFF-IBGZPJMESA-N 1 0 341.411 2.530 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)cc1Cn1cccn1 ZINC000873076195 1289554988 /nfs/dbraw/zinc/55/49/88/1289554988.db2.gz AMZRRYYEUWZXMY-DNVCBOLYSA-N 1 0 340.471 2.512 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)cc1Cn1cccn1 ZINC000873076196 1289555148 /nfs/dbraw/zinc/55/51/48/1289555148.db2.gz AMZRRYYEUWZXMY-HNAYVOBHSA-N 1 0 340.471 2.512 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000824167611 1289559080 /nfs/dbraw/zinc/55/90/80/1289559080.db2.gz UUXRCOSGLWMTSA-GOSISDBHSA-N 1 0 339.439 2.808 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1Cn1cccn1 ZINC000873096353 1289566598 /nfs/dbraw/zinc/56/65/98/1289566598.db2.gz XDVVJHLJCABXAK-QGZVFWFLSA-N 1 0 329.444 2.987 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)cc1C ZINC000873097647 1289567551 /nfs/dbraw/zinc/56/75/51/1289567551.db2.gz UWXALEBGFPXSEM-KRWDZBQOSA-N 1 0 334.460 2.544 20 10 EFCDRO CCC1([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CCOCC1 ZINC000873097766 1289567859 /nfs/dbraw/zinc/56/78/59/1289567859.db2.gz WHVRCJUWJLDCBT-UHFFFAOYSA-N 1 0 329.444 2.989 20 10 EFCDRO COc1ccc(C[NH2+]CC(C)(C)CCCO)cc1Cn1cccn1 ZINC000873099776 1289568572 /nfs/dbraw/zinc/56/85/72/1289568572.db2.gz DBAFDHPWDBRSOK-UHFFFAOYSA-N 1 0 331.460 2.828 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1Cn1cccn1 ZINC000873107839 1289570847 /nfs/dbraw/zinc/57/08/47/1289570847.db2.gz RABXRXHHHQKQAO-UYAOXDASSA-N 1 0 341.455 2.987 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@H]2CCOC[C@H]2OCCOC)cc1C ZINC000873109182 1289571594 /nfs/dbraw/zinc/57/15/94/1289571594.db2.gz GDQXQPDJEVLYNH-PKOBYXMFSA-N 1 0 337.460 2.694 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)cc1Cn1cccn1 ZINC000873128237 1289583594 /nfs/dbraw/zinc/58/35/94/1289583594.db2.gz HZZCWGDOVBEZAO-KXBFYZLASA-N 1 0 329.444 2.581 20 10 EFCDRO COc1ccc(C[NH2+]CCCC2(O)CCC2)cc1Cn1cccn1 ZINC000873132389 1289587017 /nfs/dbraw/zinc/58/70/17/1289587017.db2.gz RHIAALFJMZNHLY-UHFFFAOYSA-N 1 0 329.444 2.725 20 10 EFCDRO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(O)c(C(C)(C)C)c1 ZINC000825658726 1289602159 /nfs/dbraw/zinc/60/21/59/1289602159.db2.gz SGOUNMDZSCJTDN-XGWLTEMNSA-N 1 0 346.471 2.784 20 10 EFCDRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000873195664 1289634222 /nfs/dbraw/zinc/63/42/22/1289634222.db2.gz OUCDIRGONJOUHZ-RNODOKPDSA-N 1 0 343.423 2.850 20 10 EFCDRO COc1cc(C[N@H+](CC(N)=O)C2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000824555340 1289696581 /nfs/dbraw/zinc/69/65/81/1289696581.db2.gz FOFNYUXDKRHPLL-UHFFFAOYSA-N 1 0 334.460 2.928 20 10 EFCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1 ZINC000824591432 1289713609 /nfs/dbraw/zinc/71/36/09/1289713609.db2.gz VDRSPMSVXONCHM-OAQYLSRUSA-N 1 0 340.467 2.871 20 10 EFCDRO Oc1cc(Br)ccc1CN1CC[NH+](CC2CC2)CC1 ZINC000824593248 1289713730 /nfs/dbraw/zinc/71/37/30/1289713730.db2.gz NCDXFOZUODBBPN-UHFFFAOYSA-N 1 0 325.250 2.682 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c(O)c1 ZINC000824608398 1289724110 /nfs/dbraw/zinc/72/41/10/1289724110.db2.gz GQNYJIUBRLWOIN-AWEZNQCLSA-N 1 0 334.460 2.905 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCOCC(C)C)C2)cc1C ZINC001181185458 1289731122 /nfs/dbraw/zinc/73/11/22/1289731122.db2.gz SKIKLYJRZAHVNW-GOSISDBHSA-N 1 0 348.487 2.757 20 10 EFCDRO COc1cc(CN2CC[S@](=O)C[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000825698740 1290064223 /nfs/dbraw/zinc/06/42/23/1290064223.db2.gz RESPTVYAVVVYKX-NPMABZOXSA-N 1 0 339.501 2.899 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)[C@H](C)C2)cc(O)c1O ZINC001204342874 1290203308 /nfs/dbraw/zinc/20/33/08/1290203308.db2.gz NWENGVCENBGVNJ-MEBBXXQBSA-N 1 0 349.349 2.632 20 10 EFCDRO COc1cc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)cc(O)c1O ZINC001204343418 1290208915 /nfs/dbraw/zinc/20/89/15/1290208915.db2.gz PUHGNHWMENOAKY-UHFFFAOYSA-N 1 0 331.368 2.510 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001232834898 1312790827 /nfs/dbraw/zinc/79/08/27/1312790827.db2.gz PEBDUYOSPSUJQL-HNNXBMFYSA-N 1 0 332.366 2.738 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c(O)c1 ZINC001232834852 1312791308 /nfs/dbraw/zinc/79/13/08/1312791308.db2.gz OQZCTVFULULWEK-UHFFFAOYSA-N 1 0 328.412 2.861 20 10 EFCDRO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232834987 1312791332 /nfs/dbraw/zinc/79/13/32/1312791332.db2.gz SYMSTDHVQFCXRB-INIZCTEOSA-N 1 0 333.476 2.539 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)CC[C@@]1(O)C(F)(F)F ZINC001232836972 1312791571 /nfs/dbraw/zinc/79/15/71/1312791571.db2.gz XYSXNHTYZFNIKB-NHYWBVRUSA-N 1 0 332.366 2.593 20 10 EFCDRO CCc1noc(C2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)n1 ZINC001232840182 1312792231 /nfs/dbraw/zinc/79/22/31/1312792231.db2.gz OKAUZBRKUXHBSZ-UHFFFAOYSA-N 1 0 330.432 2.783 20 10 EFCDRO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232837870 1312792259 /nfs/dbraw/zinc/79/22/59/1312792259.db2.gz DUWSBBKHIMNLQL-PKOBYXMFSA-N 1 0 334.460 2.618 20 10 EFCDRO Cc1cccnc1N1CCC[N@@H+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232839583 1312792321 /nfs/dbraw/zinc/79/23/21/1312792321.db2.gz QYJAPGHQEGAILR-UHFFFAOYSA-N 1 0 340.471 2.874 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c(O)c1 ZINC001232838648 1312792445 /nfs/dbraw/zinc/79/24/45/1312792445.db2.gz IELUULCVZVIAAH-KRWDZBQOSA-N 1 0 345.487 2.683 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CC3(CCN3Cc3ccccc3)C2)c(O)c1 ZINC001232838299 1312792641 /nfs/dbraw/zinc/79/26/41/1312792641.db2.gz CTGMXBYEAGNKKN-UHFFFAOYSA-N 1 0 337.467 2.919 20 10 EFCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)Cc2ccccc21 ZINC001232841251 1312792810 /nfs/dbraw/zinc/79/28/10/1312792810.db2.gz ZOMLTKVUMCNHSQ-SFHVURJKSA-N 1 0 340.423 2.731 20 10 EFCDRO Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3O)C2)nc1 ZINC001232841350 1312792840 /nfs/dbraw/zinc/79/28/40/1312792840.db2.gz DIVNOQILPIPNSK-KRWDZBQOSA-N 1 0 327.428 2.815 20 10 EFCDRO Cc1cccc(O[C@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3O)C2)n1 ZINC001232841790 1312793110 /nfs/dbraw/zinc/79/31/10/1312793110.db2.gz SDMSRZFROXQXOK-KRWDZBQOSA-N 1 0 327.428 2.815 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c(O)c1 ZINC001232840445 1312793328 /nfs/dbraw/zinc/79/33/28/1312793328.db2.gz AEYFGGBRGBCRSY-MRXNPFEDSA-N 1 0 346.393 2.984 20 10 EFCDRO CC[N@H+](CCC(=O)OC)Cc1cc(Br)cc(OC)c1O ZINC000092379973 1290685976 /nfs/dbraw/zinc/68/59/76/1290685976.db2.gz RRLDGLCILCKNPK-UHFFFAOYSA-N 1 0 346.221 2.548 20 10 EFCDRO Fc1cc(C[NH+]2CCC(n3ccnc3)CC2)ccc1N1CCOCC1 ZINC000092648646 1290797512 /nfs/dbraw/zinc/79/75/12/1290797512.db2.gz USCQZWJXRCBBKF-UHFFFAOYSA-N 1 0 344.434 2.696 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]([NH3+])Cc1cccc(OC)c1 ZINC000876632654 1290960998 /nfs/dbraw/zinc/96/09/98/1290960998.db2.gz MHCOCBBFYWQVED-SFHVURJKSA-N 1 0 342.439 2.709 20 10 EFCDRO C[N@H+](Cc1ccc(I)cc1O)[C@H]1CCCOC1 ZINC001232978181 1312824372 /nfs/dbraw/zinc/82/43/72/1312824372.db2.gz ZGIBJUXQQOJHQI-LBPRGKRZSA-N 1 0 347.196 2.608 20 10 EFCDRO Oc1cc(I)ccc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001232980911 1312824945 /nfs/dbraw/zinc/82/49/45/1312824945.db2.gz YEZHFJSRPUNWDE-DLOVCJGASA-N 1 0 347.171 2.929 20 10 EFCDRO Cc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(O)c1 ZINC000876753545 1291006851 /nfs/dbraw/zinc/00/68/51/1291006851.db2.gz MBLWJHKYMHBCIR-CQSZACIVSA-N 1 0 328.372 2.690 20 10 EFCDRO Oc1cc(CN2CC[NH+](C3(c4ccccc4)CC3)CC2)cc(O)c1O ZINC001233015304 1312832374 /nfs/dbraw/zinc/83/23/74/1312832374.db2.gz JGQHPYVJUHXUII-UHFFFAOYSA-N 1 0 340.423 2.610 20 10 EFCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c(O)c1 ZINC000876950766 1291082772 /nfs/dbraw/zinc/08/27/72/1291082772.db2.gz VJBRFRUUTGWXAU-AWEZNQCLSA-N 1 0 348.468 2.802 20 10 EFCDRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)OC ZINC000876965614 1291088632 /nfs/dbraw/zinc/08/86/32/1291088632.db2.gz JGELLVJISJEIMY-IFXJQAMLSA-N 1 0 338.467 2.938 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cn4ccsc4n3)cc2)CC1 ZINC000876983638 1291098046 /nfs/dbraw/zinc/09/80/46/1291098046.db2.gz RWZJTDRIRQPVDM-UHFFFAOYSA-N 1 0 342.468 2.647 20 10 EFCDRO CN1CCCc2cc(C[NH2+]Cc3cc4c(cn3)OCCO4)ccc21 ZINC000876986923 1291098875 /nfs/dbraw/zinc/09/88/75/1291098875.db2.gz OVFFHLKVXFIJPF-UHFFFAOYSA-N 1 0 325.412 2.525 20 10 EFCDRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3Cc2cc(O)c(O)c(O)c2)o1 ZINC001233012674 1312831722 /nfs/dbraw/zinc/83/17/22/1312831722.db2.gz HWVPQBAYJOPWDP-CVEARBPZSA-N 1 0 344.411 2.554 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H](C)C[C@@H]3CCCC(=O)N3)CC2)cc1 ZINC000876999874 1291103077 /nfs/dbraw/zinc/10/30/77/1291103077.db2.gz ZXNZUVZRGXGYTB-RDJZCZTQSA-N 1 0 345.487 2.701 20 10 EFCDRO Cc1ccc(C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c(O)c1 ZINC000877047765 1291116340 /nfs/dbraw/zinc/11/63/40/1291116340.db2.gz FKLAVEYSFGFZPY-INIZCTEOSA-N 1 0 349.814 2.948 20 10 EFCDRO CN(Cc1cc(O)c(O)c(O)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233017576 1312833300 /nfs/dbraw/zinc/83/33/00/1312833300.db2.gz XQELMMMDKNMUPQ-INIZCTEOSA-N 1 0 342.439 2.757 20 10 EFCDRO CCOC(=O)c1cc(C[NH2+]CCCSc2nccs2)on1 ZINC000877061779 1291121943 /nfs/dbraw/zinc/12/19/43/1291121943.db2.gz SNMJWUMMROCZCA-UHFFFAOYSA-N 1 0 327.431 2.580 20 10 EFCDRO OC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCCC1 ZINC000877067694 1291124680 /nfs/dbraw/zinc/12/46/80/1291124680.db2.gz LDFKPDNYORBVQF-FQEVSTJZSA-N 1 0 332.488 2.679 20 10 EFCDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877073995 1291125657 /nfs/dbraw/zinc/12/56/57/1291125657.db2.gz XJZDNLNAKCTMJF-LJQANCHMSA-N 1 0 340.467 2.513 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]4OCC[C@H]43)cc2)CC1 ZINC000877087510 1291131597 /nfs/dbraw/zinc/13/15/97/1291131597.db2.gz ZIKTXGWIFBQFTM-XUVXKRRUSA-N 1 0 330.472 2.695 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]CCCc3nccs3)cc2)CC1 ZINC000877150138 1291148211 /nfs/dbraw/zinc/14/82/11/1291148211.db2.gz YBEXGNGUPKTLMB-UHFFFAOYSA-N 1 0 331.485 2.827 20 10 EFCDRO OCCCC1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877194223 1291162178 /nfs/dbraw/zinc/16/21/78/1291162178.db2.gz DNGBKPOFHOZQDK-UHFFFAOYSA-N 1 0 332.488 2.632 20 10 EFCDRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093693206 1291195826 /nfs/dbraw/zinc/19/58/26/1291195826.db2.gz YEWWNZZXHHARFK-IBGZPJMESA-N 1 0 331.504 2.687 20 10 EFCDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000795687960 1291199713 /nfs/dbraw/zinc/19/97/13/1291199713.db2.gz LXUZXDIYQNLBBL-HNNXBMFYSA-N 1 0 331.334 2.936 20 10 EFCDRO CO[C@@H](CN(C)c1ccc(OCC[NH+](C)C)cc1)C1CCOCC1 ZINC000877343102 1291200527 /nfs/dbraw/zinc/20/05/27/1291200527.db2.gz VCWYIWBCMUUYDI-IBGZPJMESA-N 1 0 336.476 2.505 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000877441835 1291235404 /nfs/dbraw/zinc/23/54/04/1291235404.db2.gz ONMGMXQPHWELEC-NRFANRHFSA-N 1 0 340.467 2.769 20 10 EFCDRO Cc1ccc(C[N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)nc1 ZINC000877468964 1291240942 /nfs/dbraw/zinc/24/09/42/1291240942.db2.gz OLAXZLXAAQCZKD-UHFFFAOYSA-N 1 0 325.456 2.983 20 10 EFCDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877522849 1291258580 /nfs/dbraw/zinc/25/85/80/1291258580.db2.gz SGLNWMKOWANAOU-UTKZUKDTSA-N 1 0 343.515 2.706 20 10 EFCDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)c1 ZINC000877542814 1291266964 /nfs/dbraw/zinc/26/69/64/1291266964.db2.gz SIKGRIDWGCJTKT-IBGZPJMESA-N 1 0 340.471 2.600 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cc[nH]c(=O)c1 ZINC000877551242 1291272640 /nfs/dbraw/zinc/27/26/40/1291272640.db2.gz VRMFDWWSOOTITM-CQSZACIVSA-N 1 0 327.428 2.599 20 10 EFCDRO CO[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1(C)C ZINC000877565028 1291276726 /nfs/dbraw/zinc/27/67/26/1291276726.db2.gz ARNXBNIHPHUOBD-IBGZPJMESA-N 1 0 332.488 2.895 20 10 EFCDRO Cc1ccc(C[N@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)c(O)c1 ZINC000877563946 1291277424 /nfs/dbraw/zinc/27/74/24/1291277424.db2.gz ROELKIKQDPTAFW-SFHVURJKSA-N 1 0 341.455 2.830 20 10 EFCDRO CC1(C)C[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000877578082 1291280780 /nfs/dbraw/zinc/28/07/80/1291280780.db2.gz TWDLAHKLZPDMGP-KRWDZBQOSA-N 1 0 332.488 2.943 20 10 EFCDRO OC1CCN(c2ccc(C[N@@H+]3CCOC[C@@H]3C3CCC3)cc2)CC1 ZINC000877606712 1291288198 /nfs/dbraw/zinc/28/81/98/1291288198.db2.gz JAXPLOOWRDDZSD-HXUWFJFHSA-N 1 0 330.472 2.649 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCCN4CCCC[C@H]34)cc2)CC1 ZINC000877619452 1291292917 /nfs/dbraw/zinc/29/29/17/1291292917.db2.gz ZJULXFZKUWQJFB-LEWJYISDSA-N 1 0 343.515 2.754 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCN4CCCC[C@H]34)cc2)CC1 ZINC000877619453 1291293132 /nfs/dbraw/zinc/29/31/32/1291293132.db2.gz ZJULXFZKUWQJFB-NHCUHLMSSA-N 1 0 343.515 2.754 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(O)cc1C ZINC000795721273 1291310017 /nfs/dbraw/zinc/31/00/17/1291310017.db2.gz YPCBILQSYJURSM-OAHLLOKOSA-N 1 0 333.350 2.989 20 10 EFCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1O ZINC000877693869 1291332284 /nfs/dbraw/zinc/33/22/84/1291332284.db2.gz SVPMRYHUYSETSG-WRWORJQWSA-N 1 0 342.155 2.864 20 10 EFCDRO OC[C@@H](C[NH2+]Cc1cc(F)ccc1O)Cc1cc(F)c(F)c(F)c1 ZINC000775166822 1291387508 /nfs/dbraw/zinc/38/75/08/1291387508.db2.gz AXQHXWMHMSHVDP-LLVKDONJSA-N 1 0 343.320 2.889 20 10 EFCDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000877817876 1291390297 /nfs/dbraw/zinc/39/02/97/1291390297.db2.gz BJCFBSOUECLPQS-ZDUSSCGKSA-N 1 0 337.416 2.575 20 10 EFCDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000877817875 1291390522 /nfs/dbraw/zinc/39/05/22/1291390522.db2.gz BJCFBSOUECLPQS-CYBMUJFWSA-N 1 0 337.416 2.575 20 10 EFCDRO COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2ccc(C)cc2O)c1 ZINC000877832888 1291400621 /nfs/dbraw/zinc/40/06/21/1291400621.db2.gz SOMAHUZSLMJGGC-DJJJIMSYSA-N 1 0 331.412 2.930 20 10 EFCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000826019872 1291481953 /nfs/dbraw/zinc/48/19/53/1291481953.db2.gz LYZXEHALNQISIF-GOSISDBHSA-N 1 0 329.488 2.881 20 10 EFCDRO COCCc1ccnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000795807616 1291493457 /nfs/dbraw/zinc/49/34/57/1291493457.db2.gz GKOKYCHHACDOJQ-UHFFFAOYSA-N 1 0 340.471 2.634 20 10 EFCDRO Cc1cc(O)c(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)cc1Cl ZINC000826024331 1291516659 /nfs/dbraw/zinc/51/66/59/1291516659.db2.gz ZFERTTRTNFBFIW-DLBZAZTESA-N 1 0 325.836 2.764 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2CO)cc1Br ZINC001233134662 1312862948 /nfs/dbraw/zinc/86/29/48/1312862948.db2.gz AQGARZRBNNJOSB-LLVKDONJSA-N 1 0 330.222 2.510 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(CCCO3)C2)cc1Br ZINC001233138166 1312863938 /nfs/dbraw/zinc/86/39/38/1312863938.db2.gz WSMMANPONGEHFU-OAHLLOKOSA-N 1 0 342.233 2.918 20 10 EFCDRO COc1cc(O)c(CN(C2CC2)C2COC2)cc1Br ZINC001233140366 1312865033 /nfs/dbraw/zinc/86/50/33/1312865033.db2.gz GPOHSUSDPFIUNO-UHFFFAOYSA-N 1 0 328.206 2.527 20 10 EFCDRO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000127223497 1291726621 /nfs/dbraw/zinc/72/66/21/1291726621.db2.gz VRTOSCRBXFCDDU-DLBZAZTESA-N 1 0 347.503 2.648 20 10 EFCDRO CCCCCCNC(=O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775260910 1291745004 /nfs/dbraw/zinc/74/50/04/1291745004.db2.gz RHNWIZRHLIILOW-KRWDZBQOSA-N 1 0 347.503 2.870 20 10 EFCDRO COC(=O)CN(C)Cc1c(O)ccc2cc(Br)ccc21 ZINC001233196058 1312878399 /nfs/dbraw/zinc/87/83/99/1312878399.db2.gz QZNPIHXOMHHFML-UHFFFAOYSA-N 1 0 338.201 2.913 20 10 EFCDRO Cc1cc(C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)ccc1N(C)C ZINC000878870266 1291836060 /nfs/dbraw/zinc/83/60/60/1291836060.db2.gz XNNLBCLROAFUSF-MOPGFXCFSA-N 1 0 332.488 2.861 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@H](C)O[C@@H](C)C2)c2ccccc2n1C ZINC001233270091 1312889287 /nfs/dbraw/zinc/88/92/87/1312889287.db2.gz AAFOUDDADIKWBX-KBPBESRZSA-N 1 0 330.428 2.964 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c2ccccc2n1C ZINC001233270577 1312889949 /nfs/dbraw/zinc/88/99/49/1312889949.db2.gz SGGRDUNTNDHNIZ-KGLIPLIRSA-N 1 0 330.428 2.558 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@@H](CO)C2)c2ccccc2n1C ZINC001233270272 1312890386 /nfs/dbraw/zinc/89/03/86/1312890386.db2.gz HMWOHPIDCQDFQC-CQSZACIVSA-N 1 0 330.428 2.559 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c2ccccc2n1C ZINC001233270255 1312890419 /nfs/dbraw/zinc/89/04/19/1312890419.db2.gz GQPSHZPPKWJXBY-CXAGYDPISA-N 1 0 330.428 2.558 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c2ccccc2n1C ZINC001233270561 1312890564 /nfs/dbraw/zinc/89/05/64/1312890564.db2.gz RPKQSAARYZZOGB-RDTXWAMCSA-N 1 0 344.455 2.948 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c2ccccc2n1C ZINC001233270559 1312890575 /nfs/dbraw/zinc/89/05/75/1312890575.db2.gz RPKQSAARYZZOGB-KDOFPFPSSA-N 1 0 344.455 2.948 20 10 EFCDRO CCOC(=O)c1c(CN2CC[C@]23CCOC3)c2ccccc2n1C ZINC001233272890 1312890815 /nfs/dbraw/zinc/89/08/15/1312890815.db2.gz GEHVUVABVQDJMU-LJQANCHMSA-N 1 0 328.412 2.720 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c2ccccc2n1C ZINC001233272802 1312890939 /nfs/dbraw/zinc/89/09/39/1312890939.db2.gz BSRJRJSIZGOEGL-SUMWQHHRSA-N 1 0 328.412 2.576 20 10 EFCDRO CCOC(=O)c1c(CN2CCOC3(CC3)C2)c2ccccc2n1C ZINC001233272912 1312891351 /nfs/dbraw/zinc/89/13/51/1312891351.db2.gz GSUXSFLQRGNWCZ-UHFFFAOYSA-N 1 0 328.412 2.720 20 10 EFCDRO COC(=O)[C@@H]1COCCC12C[NH+](Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001233286972 1312895518 /nfs/dbraw/zinc/89/55/18/1312895518.db2.gz QUJWFXYPTRZCEL-INIZCTEOSA-N 1 0 347.455 2.701 20 10 EFCDRO CCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC001233289592 1312896060 /nfs/dbraw/zinc/89/60/60/1312896060.db2.gz BILZAGHBBYUDID-UHFFFAOYSA-N 1 0 326.824 2.545 20 10 EFCDRO COc1cc(Cl)cc(C[NH+]2CCC(Oc3ccncn3)CC2)c1O ZINC001233290906 1312896310 /nfs/dbraw/zinc/89/63/10/1312896310.db2.gz CLCCSFHJXMWYEU-UHFFFAOYSA-N 1 0 349.818 2.888 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(=O)n3cc(C)ccc3n2)c1 ZINC000775373870 1292105381 /nfs/dbraw/zinc/10/53/81/1292105381.db2.gz YWLCNKNNBFMZHH-ZDUSSCGKSA-N 1 0 339.395 2.568 20 10 EFCDRO COc1ccc(N2CC[NH+](CCc3cncs3)CC2)c(OC)c1 ZINC000879463290 1292146101 /nfs/dbraw/zinc/14/61/01/1292146101.db2.gz UNJVDSKQJRAKGX-UHFFFAOYSA-N 1 0 333.457 2.525 20 10 EFCDRO C[N@H+](C1CCOCC1)C1CCN(Cc2c(O)ccc(F)c2F)CC1 ZINC001233334976 1312906515 /nfs/dbraw/zinc/90/65/15/1312906515.db2.gz BZMPIURTBOTLQS-UHFFFAOYSA-N 1 0 340.414 2.746 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)N(C)CCOc1ccccc1F)c1ccccc1O ZINC000879648686 1292217648 /nfs/dbraw/zinc/21/76/48/1292217648.db2.gz ZEOHUQNTEZKNCE-CQSZACIVSA-N 1 0 346.402 2.719 20 10 EFCDRO Cc1cccc(OCCNC(=O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879649308 1292217790 /nfs/dbraw/zinc/21/77/90/1292217790.db2.gz QHYOEPXXXNCRQQ-OAHLLOKOSA-N 1 0 328.412 2.546 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1O ZINC000879648761 1292217810 /nfs/dbraw/zinc/21/78/10/1292217810.db2.gz CRNXXZAFDOCOLJ-OLZOCXBDSA-N 1 0 342.395 2.841 20 10 EFCDRO COc1cc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)cc(OC)c1 ZINC000879648387 1292217951 /nfs/dbraw/zinc/21/79/51/1292217951.db2.gz MMUYJBCNMMCZQL-GFCCVEGCSA-N 1 0 330.384 2.699 20 10 EFCDRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccccc2O)cc(C(=O)OC)c1 ZINC000879648912 1292218074 /nfs/dbraw/zinc/21/80/74/1292218074.db2.gz FZBODSOOHUMKSN-GFCCVEGCSA-N 1 0 343.379 2.816 20 10 EFCDRO CC1CC(C[NH+]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)C1 ZINC000957849524 1292297439 /nfs/dbraw/zinc/29/74/39/1292297439.db2.gz ITUYCXBFARWRMZ-UHFFFAOYSA-N 1 0 343.431 2.653 20 10 EFCDRO CC(C)(O)CC[NH+]1CCN(Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233419383 1312929158 /nfs/dbraw/zinc/92/91/58/1312929158.db2.gz WFIPXCWXHFLFTA-UHFFFAOYSA-N 1 0 346.393 2.690 20 10 EFCDRO O=C1OCCC12CC[NH+](Cc1ccc(C(F)(F)F)cc1O)CC2 ZINC001233455768 1312936232 /nfs/dbraw/zinc/93/62/32/1312936232.db2.gz XUVZFZORKHFDDJ-UHFFFAOYSA-N 1 0 329.318 2.940 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC3(CC2)OCc2ccccc23)cc1O ZINC001233484985 1312939755 /nfs/dbraw/zinc/93/97/55/1312939755.db2.gz DZXJAMSZMSHSNA-UHFFFAOYSA-N 1 0 327.380 2.825 20 10 EFCDRO CN(Cc1cc(O)c(O)cc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233482221 1312939761 /nfs/dbraw/zinc/93/97/61/1312939761.db2.gz FTOVOILLXWOEGW-MRXNPFEDSA-N 1 0 328.412 2.510 20 10 EFCDRO CC(C)c1noc([C@@H]2CCC[N@H+](Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233486391 1312940438 /nfs/dbraw/zinc/94/04/38/1312940438.db2.gz LOVONCUBRDSEKP-LLVKDONJSA-N 1 0 333.388 2.689 20 10 EFCDRO Oc1cc(O)c(CN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc1O ZINC001233485608 1312940728 /nfs/dbraw/zinc/94/07/28/1312940728.db2.gz CYOXBNCNAAANRE-NVXWUHKLSA-N 1 0 340.423 2.510 20 10 EFCDRO COC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2cc(O)c(O)cc2O)cc1 ZINC001233487564 1312941149 /nfs/dbraw/zinc/94/11/49/1312941149.db2.gz JPAWUNPHOIQXPF-OAHLLOKOSA-N 1 0 343.379 2.927 20 10 EFCDRO COC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2cc(O)c(O)cc2O)cc1 ZINC001233487563 1312941425 /nfs/dbraw/zinc/94/14/25/1312941425.db2.gz JPAWUNPHOIQXPF-HNNXBMFYSA-N 1 0 343.379 2.927 20 10 EFCDRO CC(=O)c1cc(Cl)cc(Cn2cc([C@@H]([NH3+])C(C)(C)C)nn2)c1O ZINC000880999513 1292714577 /nfs/dbraw/zinc/71/45/77/1292714577.db2.gz OXRSHWSAGXFRRK-OAHLLOKOSA-N 1 0 336.823 2.934 20 10 EFCDRO CC(=O)c1cc(Cl)cc(Cn2cc([C@H]([NH3+])C(C)(C)C)nn2)c1O ZINC000880999512 1292715158 /nfs/dbraw/zinc/71/51/58/1292715158.db2.gz OXRSHWSAGXFRRK-HNNXBMFYSA-N 1 0 336.823 2.934 20 10 EFCDRO CCCCCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001191989714 1292732044 /nfs/dbraw/zinc/73/20/44/1292732044.db2.gz CZKGQQIMBLFILX-UHFFFAOYSA-N 1 0 332.492 2.818 20 10 EFCDRO COC(=O)c1ccccc1N1CC[NH+](Cc2ccccc2O)CC1 ZINC001203555758 1312955141 /nfs/dbraw/zinc/95/51/41/1312955141.db2.gz HLDYJGPRVFZTTF-UHFFFAOYSA-N 1 0 326.396 2.501 20 10 EFCDRO CC[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1cc(Cl)ccc1O ZINC000775497795 1292754128 /nfs/dbraw/zinc/75/41/28/1292754128.db2.gz ULYPUZBFFZBOGL-TZMCWYRMSA-N 1 0 346.880 2.510 20 10 EFCDRO Cn1cc([C@@H]2COC3(C2)CC[NH+](Cc2ccccc2O)CC3)cn1 ZINC001203551820 1312954326 /nfs/dbraw/zinc/95/43/26/1312954326.db2.gz PBZYEOYCRNHXNQ-INIZCTEOSA-N 1 0 327.428 2.664 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC001203551773 1312954725 /nfs/dbraw/zinc/95/47/25/1312954725.db2.gz NHCVFURJYJWIMX-YTQUADARSA-N 1 0 326.396 2.598 20 10 EFCDRO Oc1ccccc1C[N@H+]1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001203552935 1312955043 /nfs/dbraw/zinc/95/50/43/1312955043.db2.gz VUBLHWWQISHJPC-MRXNPFEDSA-N 1 0 327.428 2.647 20 10 EFCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccccc1O ZINC000775527900 1292891908 /nfs/dbraw/zinc/89/19/08/1292891908.db2.gz VZWYQZPSWZZCCH-INIZCTEOSA-N 1 0 331.437 2.963 20 10 EFCDRO COc1cccc(C[NH+]2CCC3(CCC(=O)N3CC3CC3)CC2)c1O ZINC001203591956 1312964833 /nfs/dbraw/zinc/96/48/33/1312964833.db2.gz OAJHTELNFKSFTJ-UHFFFAOYSA-N 1 0 344.455 2.768 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1O ZINC001203590008 1312964871 /nfs/dbraw/zinc/96/48/71/1312964871.db2.gz QLIOPXGPFPXSJG-GJZGRUSLSA-N 1 0 348.443 2.985 20 10 EFCDRO CCOCc1ncn2c1C[N@H+](Cc1cccc(OC)c1O)CCC2 ZINC001203591804 1312965172 /nfs/dbraw/zinc/96/51/72/1312965172.db2.gz LQDBVSBVOPUAEQ-UHFFFAOYSA-N 1 0 331.416 2.540 20 10 EFCDRO COc1cccc(C[N@@H+]2CC3CC2(CNC(=O)OC(C)(C)C)C3)c1O ZINC001203590285 1312965543 /nfs/dbraw/zinc/96/55/43/1312965543.db2.gz VTMADGXQVOLVPX-UHFFFAOYSA-N 1 0 348.443 2.890 20 10 EFCDRO COc1cccc(C[NH+]2CCN(c3nccc4occc43)CC2)c1O ZINC001203596012 1312966333 /nfs/dbraw/zinc/96/63/33/1312966333.db2.gz YMFFNVIGLPVOAI-UHFFFAOYSA-N 1 0 339.395 2.864 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COC)C2)c1O ZINC001203608218 1312969491 /nfs/dbraw/zinc/96/94/91/1312969491.db2.gz LQWJVNBPYGAQJJ-HKUYNNGSSA-N 1 0 335.444 2.808 20 10 EFCDRO CCOCc1ncn2c1C[N@H+](Cc1cccc(OCC)c1O)CCC2 ZINC001203608340 1312969720 /nfs/dbraw/zinc/96/97/20/1312969720.db2.gz MHOBYHNWRVLKDZ-UHFFFAOYSA-N 1 0 345.443 2.930 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3)[C@H]2CC)c1O ZINC001203608085 1312969771 /nfs/dbraw/zinc/96/97/71/1312969771.db2.gz HVHCBIMPSOEBEW-APWZRJJASA-N 1 0 332.444 2.814 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)c1O ZINC001203609109 1312970010 /nfs/dbraw/zinc/97/00/10/1312970010.db2.gz ALUFRELDGWEARJ-RDJZCZTQSA-N 1 0 346.471 2.870 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cccc(F)c3F)cc2)CC1 ZINC000881851092 1293028075 /nfs/dbraw/zinc/02/80/75/1293028075.db2.gz CSQWKPKIYDJZJI-UHFFFAOYSA-N 1 0 345.393 2.647 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCCC(F)(F)F)cc2)CC1 ZINC000881851990 1293028623 /nfs/dbraw/zinc/02/86/23/1293028623.db2.gz FNBCIBIHIGDYNA-UHFFFAOYSA-N 1 0 343.393 2.787 20 10 EFCDRO C[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC000881851529 1293029539 /nfs/dbraw/zinc/02/95/39/1293029539.db2.gz VWPRWUARQNHHKA-INIZCTEOSA-N 1 0 329.488 2.881 20 10 EFCDRO CC(C)C[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853283 1293030562 /nfs/dbraw/zinc/03/05/62/1293030562.db2.gz PKWINJFMOZFMSE-IEBWSBKVSA-N 1 0 329.488 2.737 20 10 EFCDRO C[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852882 1293030932 /nfs/dbraw/zinc/03/09/32/1293030932.db2.gz DWCAZXXGLZRDHP-VQIMIIECSA-N 1 0 329.488 2.881 20 10 EFCDRO CCCc1occc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853597 1293031586 /nfs/dbraw/zinc/03/15/86/1293031586.db2.gz BWLGCSKGGJXWKS-UHFFFAOYSA-N 1 0 341.455 2.914 20 10 EFCDRO COc1ccc(O)c(CNC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000129309539 1293043037 /nfs/dbraw/zinc/04/30/37/1293043037.db2.gz GQVGUNSNVJXOOF-OAHLLOKOSA-N 1 0 349.475 2.568 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](Oc3ncccn3)C2)c1O ZINC001203617164 1312972350 /nfs/dbraw/zinc/97/23/50/1312972350.db2.gz KSDGNPVNCBPVGN-OAHLLOKOSA-N 1 0 329.400 2.624 20 10 EFCDRO CCOc1cccc(C[NH+]2CCN(c3ccnc(OC)c3)CC2)c1O ZINC001203617106 1312972515 /nfs/dbraw/zinc/97/25/15/1312972515.db2.gz GZRQTOLLGKHXKH-UHFFFAOYSA-N 1 0 343.427 2.517 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3ccnc(OC)c3)C2)c1O ZINC001203617573 1312972552 /nfs/dbraw/zinc/97/25/52/1312972552.db2.gz QJFPNIGADHOPRH-MRXNPFEDSA-N 1 0 344.411 2.848 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](Oc3nccc(C)n3)C2)c1O ZINC001203617871 1312972566 /nfs/dbraw/zinc/97/25/66/1312972566.db2.gz WKCBXHSLEMLEHE-INIZCTEOSA-N 1 0 343.427 2.933 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c(O)c1 ZINC001203621381 1312973342 /nfs/dbraw/zinc/97/33/42/1312973342.db2.gz CFDCHOKAXMEYQA-HOTGVXAUSA-N 1 0 348.443 2.985 20 10 EFCDRO COc1ccc(CN2CC[NH+](Cc3ccc(OC)cc3O)CC2)cc1 ZINC001203627378 1312974890 /nfs/dbraw/zinc/97/48/90/1312974890.db2.gz BCHTWQMOHVXRKI-UHFFFAOYSA-N 1 0 342.439 2.727 20 10 EFCDRO COc1ccc(C[N@H+](C2CC2)C2CN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203629355 1312975662 /nfs/dbraw/zinc/97/56/62/1312975662.db2.gz XYEKTXBUWSBNFO-UHFFFAOYSA-N 1 0 348.443 2.985 20 10 EFCDRO COc1ccc(C[NH+]2CCC(NC(=O)C3CCCC3)CC2)c(O)c1 ZINC001203628056 1312975678 /nfs/dbraw/zinc/97/56/78/1312975678.db2.gz XPBIVZJZEIEVFH-UHFFFAOYSA-N 1 0 332.444 2.672 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@@]3(CCCN3C(=O)C(C)C)C2)c(O)c1 ZINC001203629950 1312975815 /nfs/dbraw/zinc/97/58/15/1312975815.db2.gz OJQQWPCJJNOSSX-IBGZPJMESA-N 1 0 332.444 2.624 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@@H](Oc3cccc(OC)n3)C2)c(O)c1 ZINC001203635148 1312977103 /nfs/dbraw/zinc/97/71/03/1312977103.db2.gz LKWBJZKPRVMAPV-MRXNPFEDSA-N 1 0 344.411 2.848 20 10 EFCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001203636039 1312977304 /nfs/dbraw/zinc/97/73/04/1312977304.db2.gz NPVRXFIOSUTGKR-CQSZACIVSA-N 1 0 332.213 2.841 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@H](Oc3nccnc3C)C2)c(O)c1 ZINC001203634936 1312977379 /nfs/dbraw/zinc/97/73/79/1312977379.db2.gz BTWUEOGOJWKWFY-INIZCTEOSA-N 1 0 329.400 2.543 20 10 EFCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(OC)cc2O)Cc2ccccc21 ZINC001203634813 1312977509 /nfs/dbraw/zinc/97/75/09/1312977509.db2.gz WSPOUUCVXYYTRR-KRWDZBQOSA-N 1 0 327.380 2.673 20 10 EFCDRO COc1ccc(C[NH+]2CCC(Oc3ccnc(OC)c3)CC2)c(O)c1 ZINC001203635513 1312977645 /nfs/dbraw/zinc/97/76/45/1312977645.db2.gz ZMHNYWTWHMEYMA-UHFFFAOYSA-N 1 0 344.411 2.848 20 10 EFCDRO COc1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(OC)cc3O)C2)nc1 ZINC001203635161 1312977798 /nfs/dbraw/zinc/97/77/98/1312977798.db2.gz MABOLEPNYFCCKC-QGZVFWFLSA-N 1 0 344.411 2.848 20 10 EFCDRO OC[C@@]1(F)CCC[N@H+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233726683 1312978560 /nfs/dbraw/zinc/97/85/60/1312978560.db2.gz FYECDIDAFUSYNX-CQSZACIVSA-N 1 0 337.313 2.977 20 10 EFCDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(Br)ccc2O)C1 ZINC001203645984 1312979581 /nfs/dbraw/zinc/97/95/81/1312979581.db2.gz XOPCMLJBRPGHHN-MNOVXSKESA-N 1 0 342.233 2.928 20 10 EFCDRO C[N@@H+]1C[C@H]2CCCN(Cc3cc(Br)ccc3O)[C@H]2C1 ZINC001203645798 1312979708 /nfs/dbraw/zinc/97/97/08/1312979708.db2.gz SPAHYRZBFUNKMD-RISCZKNCSA-N 1 0 325.250 2.681 20 10 EFCDRO O=C1CCC2(CC[NH+](Cc3cc(Br)ccc3O)CC2)O1 ZINC001203646022 1312979884 /nfs/dbraw/zinc/97/98/84/1312979884.db2.gz YNKWWFKARWUPDR-UHFFFAOYSA-N 1 0 340.217 2.826 20 10 EFCDRO CC[N@H+]1C[C@H]2CN(Cc3cc(Br)ccc3O)C[C@H]2C1 ZINC001203648731 1312980502 /nfs/dbraw/zinc/98/05/02/1312980502.db2.gz RLSRBXSSDUAVGQ-BETUJISGSA-N 1 0 325.250 2.538 20 10 EFCDRO O=C(c1ccco1)N1C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@@H]2C1 ZINC001203659405 1312982902 /nfs/dbraw/zinc/98/29/02/1312982902.db2.gz VCJKDKUBFVLVGL-OKILXGFUSA-N 1 0 346.814 2.843 20 10 EFCDRO COc1cc(C)nc(O[C@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC001203665596 1312984456 /nfs/dbraw/zinc/98/44/56/1312984456.db2.gz OQFGXGNAHLUFGV-AWEZNQCLSA-N 1 0 349.818 2.806 20 10 EFCDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(O)c(O)c1Cl ZINC001193236690 1293209276 /nfs/dbraw/zinc/20/92/76/1293209276.db2.gz NEAPUURSICURBG-NSHDSACASA-N 1 0 326.824 2.746 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)c1 ZINC001203671141 1312985616 /nfs/dbraw/zinc/98/56/16/1312985616.db2.gz KMZWYXTWMWKMQK-HXUWFJFHSA-N 1 0 348.487 2.724 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC3CC2(CNC(=O)OC(C)(C)C)C3)c1 ZINC001203670616 1312986036 /nfs/dbraw/zinc/98/60/36/1312986036.db2.gz VGBFINBQTHOZDM-UHFFFAOYSA-N 1 0 348.443 2.890 20 10 EFCDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233760579 1312986160 /nfs/dbraw/zinc/98/61/60/1312986160.db2.gz HYTVBIDVTKLJQD-JQWIXIFHSA-N 1 0 347.333 2.922 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC3(CCn4c(C)cnc43)CC2)c1 ZINC001203673424 1312986757 /nfs/dbraw/zinc/98/67/57/1312986757.db2.gz YMPBAOOHJVCGMP-UHFFFAOYSA-N 1 0 327.428 2.843 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c1 ZINC001203675016 1312987011 /nfs/dbraw/zinc/98/70/11/1312987011.db2.gz HVCFMRHJDBSWOP-MJGOQNOKSA-N 1 0 333.428 2.561 20 10 EFCDRO Oc1c(C[NH+]2CCC(n3cnnc3)CC2)cccc1OC(F)(F)F ZINC001233768238 1312987507 /nfs/dbraw/zinc/98/75/07/1312987507.db2.gz NIABJZHUOOILKW-UHFFFAOYSA-N 1 0 342.321 2.719 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC3(CC(=O)N(C(C)C)C3)CC2)c1 ZINC001203681244 1312989021 /nfs/dbraw/zinc/98/90/21/1312989021.db2.gz QZDIRNLVRLOOMG-UHFFFAOYSA-N 1 0 332.444 2.624 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC3(CCN(C(C)C)C3=O)CC2)c1 ZINC001203681488 1312989151 /nfs/dbraw/zinc/98/91/51/1312989151.db2.gz ZODHJBFXASYPNO-UHFFFAOYSA-N 1 0 332.444 2.624 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](Oc3nccc(C)n3)C2)c1 ZINC001203684311 1312989824 /nfs/dbraw/zinc/98/98/24/1312989824.db2.gz QRFMKQIOTPWWOS-INIZCTEOSA-N 1 0 329.400 2.543 20 10 EFCDRO Cc1nc(C)c(C)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000882880169 1293367165 /nfs/dbraw/zinc/36/71/65/1293367165.db2.gz FETLZOARIIOMAE-UHFFFAOYSA-N 1 0 325.460 2.766 20 10 EFCDRO CSc1cncc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000882880508 1293367298 /nfs/dbraw/zinc/36/72/98/1293367298.db2.gz WIKLIRNUKFZXMQ-UHFFFAOYSA-N 1 0 329.473 2.562 20 10 EFCDRO CNc1c(Cl)ncnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882880252 1293367361 /nfs/dbraw/zinc/36/73/61/1293367361.db2.gz JUUMPRTVJDPTJM-UHFFFAOYSA-N 1 0 346.866 2.536 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)OC3CCCCC3)cc2)CC1 ZINC001193641395 1293382486 /nfs/dbraw/zinc/38/24/86/1293382486.db2.gz WCLLVPYUAFNSHM-UHFFFAOYSA-N 1 0 331.460 2.997 20 10 EFCDRO C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc(F)cc(F)c2[O-])C[C@@H](C)O1 ZINC000883015287 1293431273 /nfs/dbraw/zinc/43/12/73/1293431273.db2.gz OGQFEFAFIYJIEF-CHWSQXEVSA-N 1 0 328.403 2.649 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCC34OCCO4)CC2)cc1 ZINC000883178924 1293494727 /nfs/dbraw/zinc/49/47/27/1293494727.db2.gz IGTRHKLBTGPLGW-GOSISDBHSA-N 1 0 332.444 2.549 20 10 EFCDRO CC[C@@H](C)[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883195810 1293501574 /nfs/dbraw/zinc/50/15/74/1293501574.db2.gz CPZLQGNHGUPLAI-HZPDHXFCSA-N 1 0 332.492 2.672 20 10 EFCDRO C[C@H]([NH2+]CCCSc1nccs1)c1cccc(-n2cnnn2)c1 ZINC000132150529 1293629803 /nfs/dbraw/zinc/62/98/03/1293629803.db2.gz CHQXCJABPSYCKL-LBPRGKRZSA-N 1 0 346.485 2.952 20 10 EFCDRO Cc1cccc(C[NH+]2CCN(CCOc3ccccc3)CC2)c1O ZINC000775646426 1293852496 /nfs/dbraw/zinc/85/24/96/1293852496.db2.gz JQXJEEHYATWAHQ-UHFFFAOYSA-N 1 0 326.440 2.897 20 10 EFCDRO O=C(NC1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1)C1CC1 ZINC000775648042 1293858376 /nfs/dbraw/zinc/85/83/76/1293858376.db2.gz NRYIEVWIEIGDSE-UHFFFAOYSA-N 1 0 326.799 2.675 20 10 EFCDRO CO[C@@H](C[NH+]1CCN(Cc2ccc(O)c(O)c2)CC1)c1ccccc1 ZINC001203879983 1313040067 /nfs/dbraw/zinc/04/00/67/1313040067.db2.gz LFGJGYQUFAECQC-FQEVSTJZSA-N 1 0 342.439 2.603 20 10 EFCDRO Cc1cccc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c1O ZINC000775653845 1293909026 /nfs/dbraw/zinc/90/90/26/1293909026.db2.gz DDJAACWZYLSNIV-UHFFFAOYSA-N 1 0 330.350 2.591 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(O)c(O)c2)C1 ZINC001203874707 1313038203 /nfs/dbraw/zinc/03/82/03/1313038203.db2.gz BWKUVBGZBWDELC-LSDHHAIUSA-N 1 0 348.443 2.929 20 10 EFCDRO O=C1N(c2ccsc2)CC[C@@]12CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203877615 1313038995 /nfs/dbraw/zinc/03/89/95/1313038995.db2.gz UMSNCHFDJNSKBZ-GOSISDBHSA-N 1 0 344.436 2.788 20 10 EFCDRO Cc1ccc2nc(C3CC[NH+](Cc4ccc(O)c(O)c4)CC3)nn2c1 ZINC001203876878 1313039254 /nfs/dbraw/zinc/03/92/54/1313039254.db2.gz LDJLEPZKPFEXCI-UHFFFAOYSA-N 1 0 338.411 2.829 20 10 EFCDRO Oc1ccc(CN2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1O ZINC001203877352 1313039507 /nfs/dbraw/zinc/03/95/07/1313039507.db2.gz DUVIRJIZKSNNHW-GJZGRUSLSA-N 1 0 330.453 2.723 20 10 EFCDRO C[N@@H+](Cc1ccc(O)c(O)c1)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001203881114 1313039812 /nfs/dbraw/zinc/03/98/12/1313039812.db2.gz LUVLJMNMGMVZCK-AWEZNQCLSA-N 1 0 336.432 2.929 20 10 EFCDRO Oc1ccc(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)cc1O ZINC001203879731 1313040009 /nfs/dbraw/zinc/04/00/09/1313040009.db2.gz ZIKUOPYJGBHXSW-UHFFFAOYSA-N 1 0 348.406 2.551 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@H]2C1 ZINC001203882895 1313040422 /nfs/dbraw/zinc/04/04/22/1313040422.db2.gz WMUPDVYDNVWFQH-CABCVRRESA-N 1 0 348.443 2.787 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN3CCCC[C@H]3c3ncc[nH]3)cc2)CC1 ZINC000775667291 1293990641 /nfs/dbraw/zinc/99/06/41/1293990641.db2.gz HUBHGGKBBUDXTR-IBGZPJMESA-N 1 0 339.487 2.889 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cc1 ZINC001203932163 1313049391 /nfs/dbraw/zinc/04/93/91/1313049391.db2.gz UPGDGRVDNNFZJH-RTWAWAEBSA-N 1 0 336.483 2.996 20 10 EFCDRO CN(C)c1ccc(CN2CC3(C2)CC[N@H+](Cc2cccnc2)C3)cc1 ZINC001203931541 1313049556 /nfs/dbraw/zinc/04/95/56/1313049556.db2.gz JALSEJOGTRXNOB-UHFFFAOYSA-N 1 0 336.483 2.856 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC001203931128 1313049712 /nfs/dbraw/zinc/04/97/12/1313049712.db2.gz NGYWEUUZGUFHIO-BJWYYQGGSA-N 1 0 331.460 2.708 20 10 EFCDRO C[C@H]([NH2+]CCC(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000134158521 1294081809 /nfs/dbraw/zinc/08/18/09/1294081809.db2.gz ZESNTGIGKDJBLX-INIZCTEOSA-N 1 0 345.487 2.623 20 10 EFCDRO CCOCc1ncn2c1C[N@H+](Cc1ccc(N(C)C)cc1)CCC2 ZINC001203931140 1313049772 /nfs/dbraw/zinc/04/97/72/1313049772.db2.gz BVWKCKLNLSTRLM-UHFFFAOYSA-N 1 0 328.460 2.892 20 10 EFCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3CN(C(=O)c4ccco4)C[C@H]3C2)cc1 ZINC001203932251 1313050174 /nfs/dbraw/zinc/05/01/74/1313050174.db2.gz XDGBKDJXRCLKCO-CALCHBBNSA-N 1 0 339.439 2.550 20 10 EFCDRO CN(C)C(=O)N1CCCC12CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203932132 1313050182 /nfs/dbraw/zinc/05/01/82/1313050182.db2.gz SWJQKMROVVMSRB-UHFFFAOYSA-N 1 0 344.503 2.865 20 10 EFCDRO CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC001203933707 1313050411 /nfs/dbraw/zinc/05/04/11/1313050411.db2.gz GPRQSAZHYMUIAW-FQEVSTJZSA-N 1 0 331.504 2.828 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CCc3ncnc(OC)c3CC2)cc1 ZINC001203939254 1313051480 /nfs/dbraw/zinc/05/14/80/1313051480.db2.gz MPGLTPCQRDQMJF-UHFFFAOYSA-N 1 0 340.471 2.932 20 10 EFCDRO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000121467302 1294327023 /nfs/dbraw/zinc/32/70/23/1294327023.db2.gz IUJYIBRHCXNUPB-YQQAZPJKSA-N 1 0 336.451 2.864 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)Cc2ccc(C)s2)cc1C ZINC001152318015 1294472466 /nfs/dbraw/zinc/47/24/66/1294472466.db2.gz JSGRWLIVTYBAKR-UHFFFAOYSA-N 1 0 332.469 2.822 20 10 EFCDRO CC(C)NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001276359114 1294609620 /nfs/dbraw/zinc/60/96/20/1294609620.db2.gz GGZHXNITUYBUSR-IBGZPJMESA-N 1 0 349.450 2.937 20 10 EFCDRO Cc1cccc([C@@H](O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000136468050 1294616131 /nfs/dbraw/zinc/61/61/31/1294616131.db2.gz HSDGULGYWZTFBD-FQEVSTJZSA-N 1 0 326.440 2.655 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCN([C@H]3CCOC3)CC2)c2ccccc21 ZINC001204233961 1313105666 /nfs/dbraw/zinc/10/56/66/1313105666.db2.gz VEIVGIJKKAPGKY-SFHVURJKSA-N 1 0 339.483 2.812 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c2ccccc21 ZINC001204235107 1313106190 /nfs/dbraw/zinc/10/61/90/1313106190.db2.gz GDPLMWMSIBCFBK-IWMITWMQSA-N 1 0 340.467 2.878 20 10 EFCDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204240587 1313106771 /nfs/dbraw/zinc/10/67/71/1313106771.db2.gz ZNTRTAYREPKITN-INIZCTEOSA-N 1 0 340.471 2.799 20 10 EFCDRO CN(C)c1ccc(CN2CC[NH+](CC(C)(C)O)CC2)c2ccccc21 ZINC001204241133 1313106841 /nfs/dbraw/zinc/10/68/41/1313106841.db2.gz WGZKEDGGNZFPER-UHFFFAOYSA-N 1 0 341.499 2.794 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000775829917 1294921268 /nfs/dbraw/zinc/92/12/68/1294921268.db2.gz AUIPWPKHNHPQSV-WMLDXEAASA-N 1 0 332.419 2.982 20 10 EFCDRO CC[C@H]1C[N@H+](Cc2ccc(O)cc2O)CCN1C(=O)OC(C)(C)C ZINC001204275524 1313113319 /nfs/dbraw/zinc/11/33/19/1313113319.db2.gz VEFKICSLRFVNSJ-AWEZNQCLSA-N 1 0 336.432 2.929 20 10 EFCDRO Oc1ccc(C[N@@H+]2CCCn3cnc(COCC4CC4)c3C2)c(O)c1 ZINC001204274605 1313113586 /nfs/dbraw/zinc/11/35/86/1313113586.db2.gz QKTZQFYPVKWQIW-UHFFFAOYSA-N 1 0 343.427 2.627 20 10 EFCDRO Cc1nc(CN2CCC3(C[NH+](Cc4ccc(O)cc4O)C3)C2)cs1 ZINC001204275252 1313113609 /nfs/dbraw/zinc/11/36/09/1313113609.db2.gz ZYYCAKKYFXMCLG-UHFFFAOYSA-N 1 0 345.468 2.571 20 10 EFCDRO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccc(O)cc2O)N1c1ccsc1 ZINC001204274617 1313113619 /nfs/dbraw/zinc/11/36/19/1313113619.db2.gz QRVXTPHOBRLOKG-LSDHHAIUSA-N 1 0 330.409 2.539 20 10 EFCDRO Cc1cccn2c(=O)cc(C[NH2+][C@H](C)c3ccc(N(C)C)cc3)nc12 ZINC000775833251 1294952191 /nfs/dbraw/zinc/95/21/91/1294952191.db2.gz AFMKAYXEGRTTJQ-OAHLLOKOSA-N 1 0 336.439 2.920 20 10 EFCDRO CN(C(=O)c1ccccc1)C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204277842 1313115218 /nfs/dbraw/zinc/11/52/18/1313115218.db2.gz MCGIQEISCULCMI-UHFFFAOYSA-N 1 0 340.423 2.834 20 10 EFCDRO CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(O)cc1O ZINC001204278836 1313115451 /nfs/dbraw/zinc/11/54/51/1313115451.db2.gz KOXVBBADFYJLHW-AWEZNQCLSA-N 1 0 336.432 2.929 20 10 EFCDRO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204278244 1313115522 /nfs/dbraw/zinc/11/55/22/1313115522.db2.gz ZLEOYCAILGCYAO-DOMZBBRYSA-N 1 0 336.432 2.975 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(O)cc2O)CC1(C)C ZINC001204277832 1313115567 /nfs/dbraw/zinc/11/55/67/1313115567.db2.gz BUYWKBNFDMIGCQ-UHFFFAOYSA-N 1 0 336.432 2.929 20 10 EFCDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204281131 1313115844 /nfs/dbraw/zinc/11/58/44/1313115844.db2.gz RESVLSSIPRTUIA-JSGCOSHPSA-N 1 0 336.432 2.833 20 10 EFCDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204281134 1313115914 /nfs/dbraw/zinc/11/59/14/1313115914.db2.gz RESVLSSIPRTUIA-TZMCWYRMSA-N 1 0 336.432 2.833 20 10 EFCDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@@H]21 ZINC001204282717 1313115962 /nfs/dbraw/zinc/11/59/62/1313115962.db2.gz TZFDVEKIJOOPCH-VBNZEHGJSA-N 1 0 348.443 2.833 20 10 EFCDRO CCO[C@@H]1C[C@H]2CN(Cc3ccc(N4CCCC4)cc3)CC[N@@H+]2C1 ZINC001204321824 1313122602 /nfs/dbraw/zinc/12/26/02/1313122602.db2.gz FZKVIXGZNPSPBY-VQTJNVASSA-N 1 0 329.488 2.582 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@]3(CCO3)C2)c1O ZINC001204339723 1313125233 /nfs/dbraw/zinc/12/52/33/1313125233.db2.gz QKKYGWSMYKJUEF-OAHLLOKOSA-N 1 0 342.233 2.918 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2CO)c1O ZINC001204336329 1313125284 /nfs/dbraw/zinc/12/52/84/1313125284.db2.gz SPRTXQHGIKBODU-GFCCVEGCSA-N 1 0 330.222 2.510 20 10 EFCDRO COc1cc(CN2CC[NH+](CC3CCCCC3)CC2)cc(O)c1O ZINC001204343405 1313126168 /nfs/dbraw/zinc/12/61/68/1313126168.db2.gz PJVHNODOUHBMLU-UHFFFAOYSA-N 1 0 334.460 2.804 20 10 EFCDRO COC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(O)c(O)c(OC)c1 ZINC001204344142 1313126307 /nfs/dbraw/zinc/12/63/07/1313126307.db2.gz ZGYJBVTVXDWOMW-UHFFFAOYSA-N 1 0 345.395 2.672 20 10 EFCDRO COc1cc(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc(O)c1O ZINC001204345231 1313126701 /nfs/dbraw/zinc/12/67/01/1313126701.db2.gz PNARQSJSJNOMQS-HNNXBMFYSA-N 1 0 342.439 2.813 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)cc(O)c1O ZINC001204349040 1313126985 /nfs/dbraw/zinc/12/69/85/1313126985.db2.gz NBJWUXXWABUDKF-CYBMUJFWSA-N 1 0 337.416 2.803 20 10 EFCDRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(O)c(O)c(OC)c1 ZINC001204350196 1313127267 /nfs/dbraw/zinc/12/72/67/1313127267.db2.gz DSWZPYXKWHYLCP-UHFFFAOYSA-N 1 0 331.368 2.857 20 10 EFCDRO COc1cc(C[N@H+](C)Cc2ccc(-n3ccnc3)cc2)cc(O)c1O ZINC001204348227 1313127351 /nfs/dbraw/zinc/12/73/51/1313127351.db2.gz ACPICUOCOZORPK-UHFFFAOYSA-N 1 0 339.395 2.924 20 10 EFCDRO CCC(CC)(CO)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000304230072 1295159055 /nfs/dbraw/zinc/15/90/55/1295159055.db2.gz NBWAKWHOZCRWHC-UHFFFAOYSA-N 1 0 332.238 2.804 20 10 EFCDRO COC(=O)C[C@H]1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC001234569394 1313160598 /nfs/dbraw/zinc/16/05/98/1313160598.db2.gz MIZDCKXQEJUIJQ-CYBMUJFWSA-N 1 0 329.396 2.939 20 10 EFCDRO CCOCCCC(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001199463413 1295530458 /nfs/dbraw/zinc/53/04/58/1295530458.db2.gz KZKWKPGOHZLHAJ-UHFFFAOYSA-N 1 0 348.487 2.901 20 10 EFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(C)c2O)[C@@H]1OC ZINC000775978386 1295539591 /nfs/dbraw/zinc/53/95/91/1295539591.db2.gz KRTQOXIAAVSCES-GUTXKFCHSA-N 1 0 344.249 2.745 20 10 EFCDRO FC(F)Oc1ccc2c(c1)CCCN2CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000775979621 1295541286 /nfs/dbraw/zinc/54/12/86/1295541286.db2.gz JFQNPNMDTYVGIZ-IYBDPMFKSA-N 1 0 338.398 2.904 20 10 EFCDRO Cc1cc(Br)cc(CN2CC[N@@H+](C)[C@H](C)[C@H]2C)c1O ZINC000775986615 1295562593 /nfs/dbraw/zinc/56/25/93/1295562593.db2.gz RGCABUBLSWIAFF-VXGBXAGGSA-N 1 0 327.266 2.988 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000775996161 1295633174 /nfs/dbraw/zinc/63/31/74/1295633174.db2.gz SREUTGJDBDFVKY-UHFFFAOYSA-N 1 0 342.443 2.708 20 10 EFCDRO CC[NH+]1CCN(c2ccc(OC3CC(C)(C(=O)OC)C3)cc2)CC1 ZINC001234659978 1313179478 /nfs/dbraw/zinc/17/94/78/1313179478.db2.gz AWNSGYJEPOITCX-UHFFFAOYSA-N 1 0 332.444 2.549 20 10 EFCDRO CC[NH+]1CCN(c2ccc(OC[C@@H](C)OC[C@@H](C)OC)cc2)CC1 ZINC001234661923 1313179826 /nfs/dbraw/zinc/17/98/26/1313179826.db2.gz XKKILFXHJIBXLJ-IAGOWNOFSA-N 1 0 336.476 2.647 20 10 EFCDRO CCOC(=O)[C@@H]1CC[C@H](Oc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC001234661889 1313180054 /nfs/dbraw/zinc/18/00/54/1313180054.db2.gz WYXWCJIQVHEBGM-APWZRJJASA-N 1 0 346.471 2.939 20 10 EFCDRO CCOC(=O)[C@H]1CC[C@H](Oc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC001234661890 1313180090 /nfs/dbraw/zinc/18/00/90/1313180090.db2.gz WYXWCJIQVHEBGM-LPHOPBHVSA-N 1 0 346.471 2.939 20 10 EFCDRO CC[C@H]1C[C@@H](C)CN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889669323 1295794164 /nfs/dbraw/zinc/79/41/64/1295794164.db2.gz GPJOYTJRCWANGZ-AEFFLSMTSA-N 1 0 344.503 2.768 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]3C3CC3)cc2)CC1 ZINC000889670060 1295795771 /nfs/dbraw/zinc/79/57/71/1295795771.db2.gz XOCVHAYNKPOLIX-IBGZPJMESA-N 1 0 342.487 2.522 20 10 EFCDRO CC(C)[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000305109718 1295912832 /nfs/dbraw/zinc/91/28/32/1295912832.db2.gz FIVBDOWVXLZJND-SUMWQHHRSA-N 1 0 326.868 2.844 20 10 EFCDRO CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3c(C)cccc3O)C2)C1=O ZINC001274302157 1296055545 /nfs/dbraw/zinc/05/55/45/1296055545.db2.gz WRKAQXXILLQFFX-MGPUTAFESA-N 1 0 344.455 2.840 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@]2(CCN(CC(F)(F)F)C2=O)C1 ZINC001274301940 1296056177 /nfs/dbraw/zinc/05/61/77/1296056177.db2.gz VVJJEEJERQTYAU-INIZCTEOSA-N 1 0 342.361 2.687 20 10 EFCDRO CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1c(C)cccc1O)C2 ZINC001274301500 1296056488 /nfs/dbraw/zinc/05/64/88/1296056488.db2.gz QRVKQRLYXPGYLI-OXQOHEQNSA-N 1 0 346.471 2.550 20 10 EFCDRO CC(C)(C)c1cc(O)c(CN2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC001234973339 1313215349 /nfs/dbraw/zinc/21/53/49/1313215349.db2.gz HALRVKHCDWRYJK-CXAGYDPISA-N 1 0 338.879 2.763 20 10 EFCDRO OCCCN1CC[NH+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001235000507 1313219494 /nfs/dbraw/zinc/21/94/94/1313219494.db2.gz JOWICDZBHYOHOI-UHFFFAOYSA-N 1 0 326.440 2.559 20 10 EFCDRO C[NH+](C)C[C@@H]1CN(Cc2cccc(-c3ccccc3)c2O)CCO1 ZINC001234997761 1313219566 /nfs/dbraw/zinc/21/95/66/1313219566.db2.gz DYHIUWGABOUIKH-GOSISDBHSA-N 1 0 326.440 2.822 20 10 EFCDRO C[C@@]1(CO)C[N@H+](Cc2cccc(-c3ccccc3)c2O)CC[C@H]1O ZINC001235001490 1313220500 /nfs/dbraw/zinc/22/05/00/1313220500.db2.gz NDOMOTGWTCMYDX-QUCCMNQESA-N 1 0 327.424 2.624 20 10 EFCDRO OC1CCN(c2ccc(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2F)CC1 ZINC000305358482 1296163225 /nfs/dbraw/zinc/16/32/25/1296163225.db2.gz SMIFMJDVPFFWEK-DLBZAZTESA-N 1 0 347.478 2.503 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)CSC)cc1C ZINC000959866565 1296165216 /nfs/dbraw/zinc/16/52/16/1296165216.db2.gz LYQCAMQOVRDCLZ-INIZCTEOSA-N 1 0 336.501 2.837 20 10 EFCDRO CCOc1ccc(N2CCCC[C@@]23CC(=O)N(CC[NH+](C)C)C3)cc1 ZINC001274799645 1296173644 /nfs/dbraw/zinc/17/36/44/1296173644.db2.gz SSPBCQILIQKBDJ-FQEVSTJZSA-N 1 0 345.487 2.608 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)c2cc[nH]n2)cc1C ZINC000959895695 1296204802 /nfs/dbraw/zinc/20/48/02/1296204802.db2.gz XIJWNYMPTFTUQF-INIZCTEOSA-N 1 0 342.443 2.511 20 10 EFCDRO Cc1ncsc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3O)[C@@H]2C1 ZINC001275267104 1296246610 /nfs/dbraw/zinc/24/66/10/1296246610.db2.gz KDMFARRKIKMMIE-GOEBONIOSA-N 1 0 329.469 2.863 20 10 EFCDRO Oc1ccccc1C[N@H+]1C[C@H]2CN(CCCC(F)(F)F)C[C@@H](C1)O2 ZINC001275266926 1296246681 /nfs/dbraw/zinc/24/66/81/1296246681.db2.gz GKJSAMWUIBGINK-GASCZTMLSA-N 1 0 344.377 2.620 20 10 EFCDRO CC(C)NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1O)C2 ZINC001275267446 1296247457 /nfs/dbraw/zinc/24/74/57/1296247457.db2.gz OREMNFPHPAZWSP-LJQANCHMSA-N 1 0 331.460 2.798 20 10 EFCDRO C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3ccccc3O)C2)C1 ZINC001275266780 1296247711 /nfs/dbraw/zinc/24/77/11/1296247711.db2.gz DZERXQWRBHPGQJ-FQEVSTJZSA-N 1 0 331.504 2.632 20 10 EFCDRO COC(=O)C[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235073566 1313236904 /nfs/dbraw/zinc/23/69/04/1313236904.db2.gz BKJNEFPATPWHPQ-SECBINFHSA-N 1 0 346.196 2.679 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)CC(C)(C)O)cc1C ZINC000959981525 1296317275 /nfs/dbraw/zinc/31/72/75/1296317275.db2.gz UCHAUDYIXUCRFQ-KRWDZBQOSA-N 1 0 348.487 2.635 20 10 EFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)c1O ZINC001275965508 1296461330 /nfs/dbraw/zinc/46/13/30/1296461330.db2.gz IBDAJIUTLGZFOZ-ROUUACIJSA-N 1 0 326.444 2.581 20 10 EFCDRO Cc1ccc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)c1O ZINC001275965324 1296461374 /nfs/dbraw/zinc/46/13/74/1296461374.db2.gz BAKQUCPSNOYUSN-CALCHBBNSA-N 1 0 326.444 2.581 20 10 EFCDRO Cc1ccc(C)c(C[NH+]2CCC3(CN(Cc4cn[nH]c4)C3)CC2)c1O ZINC001275965400 1296461552 /nfs/dbraw/zinc/46/15/52/1296461552.db2.gz FECLHUBTTPLYHP-UHFFFAOYSA-N 1 0 340.471 2.830 20 10 EFCDRO CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1c(C)ccc(C)c1O ZINC001275968877 1296464107 /nfs/dbraw/zinc/46/41/07/1296464107.db2.gz QQUCMEVBWLUVTK-CALCHBBNSA-N 1 0 340.471 2.684 20 10 EFCDRO CC(C)(C)c1cc(O)c(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)cc1Cl ZINC001235211052 1313264879 /nfs/dbraw/zinc/26/48/79/1313264879.db2.gz TYEQYAQOQLLFMF-RDJZCZTQSA-N 1 0 338.879 2.906 20 10 EFCDRO CCOC(=O)c1c(CN2CC[C@@H](C)[C@H](C[NH3+])C2)c2ccccc2n1C ZINC001205317370 1313269058 /nfs/dbraw/zinc/26/90/58/1313269058.db2.gz OFYKXFYHCOXDGA-HUUCEWRRSA-N 1 0 343.471 2.772 20 10 EFCDRO Oc1ccc2cc(Br)ccc2c1CN1CC[NH2+][C@H]2C[C@H]21 ZINC001235295596 1313284279 /nfs/dbraw/zinc/28/42/79/1313284279.db2.gz UXQWVZNWZSXFBW-LSDHHAIUSA-N 1 0 333.229 2.854 20 10 EFCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(Br)c1[O-] ZINC001235304558 1313286315 /nfs/dbraw/zinc/28/63/15/1313286315.db2.gz ZVIKSEIYVWROIC-NSHDSACASA-N 1 0 346.196 2.821 20 10 EFCDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc(F)cc(Br)c3[O-])C[C@@H]21 ZINC001235305320 1313287307 /nfs/dbraw/zinc/28/73/07/1313287307.db2.gz LXCMTPLPJMJYAN-HZMBPMFUSA-N 1 0 343.240 2.820 20 10 EFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776161045 1296777392 /nfs/dbraw/zinc/77/73/92/1296777392.db2.gz JJZYYMUJDCBMMH-WBVHZDCISA-N 1 0 332.492 2.987 20 10 EFCDRO CCON1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000924796366 1296784569 /nfs/dbraw/zinc/78/45/69/1296784569.db2.gz VBAIYANRANULAB-MRXNPFEDSA-N 1 0 333.476 2.590 20 10 EFCDRO COc1ccc(O)c(C[NH2+]CC2(N3CCC(OC)CC3)CCCC2)c1 ZINC000776176972 1296815038 /nfs/dbraw/zinc/81/50/38/1296815038.db2.gz GPERIMDFCVHLMN-UHFFFAOYSA-N 1 0 348.487 2.914 20 10 EFCDRO Oc1ccc2cc(Br)ccc2c1CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001235414009 1313316374 /nfs/dbraw/zinc/31/63/74/1313316374.db2.gz LRRNDCWKJMYKPD-STQMWFEESA-N 1 0 333.229 2.854 20 10 EFCDRO C[C@H](Cc1ccccn1)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000926558227 1296935555 /nfs/dbraw/zinc/93/55/55/1296935555.db2.gz CEWHXYUTDYUYHJ-CQSZACIVSA-N 1 0 347.409 2.917 20 10 EFCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205618110 1313323880 /nfs/dbraw/zinc/32/38/80/1313323880.db2.gz RNXDDSBDMNORDQ-GXTWGEPZSA-N 1 0 330.428 2.614 20 10 EFCDRO COCC(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001201609293 1296962782 /nfs/dbraw/zinc/96/27/82/1296962782.db2.gz AYZILINISBXQAA-UHFFFAOYSA-N 1 0 348.487 2.757 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2CC[NH2+]C[C@H]2C(C)C)c1 ZINC001235457999 1313327638 /nfs/dbraw/zinc/32/76/38/1313327638.db2.gz LBSDVCSLNNIOMP-AWEZNQCLSA-N 1 0 327.266 2.893 20 10 EFCDRO COc1cc(CN2CC[NH2+][C@H](C(C)C)C2)c(O)cc1Br ZINC001235475778 1313332866 /nfs/dbraw/zinc/33/28/66/1313332866.db2.gz XTBLIIWYWIRIHL-ZDUSSCGKSA-N 1 0 343.265 2.593 20 10 EFCDRO COc1cc(O)c(CN2CC[NH2+]C[C@H]2C(C)C)cc1Br ZINC001235457413 1313327452 /nfs/dbraw/zinc/32/74/52/1313327452.db2.gz DKAQGAUDULBQFN-ZDUSSCGKSA-N 1 0 343.265 2.593 20 10 EFCDRO COc1cc(CN2CC[NH2+]C[C@H]2C(C)C)c(O)cc1Br ZINC001235457944 1313327512 /nfs/dbraw/zinc/32/75/12/1313327512.db2.gz JPUSYCJRCYVPMM-ZDUSSCGKSA-N 1 0 343.265 2.593 20 10 EFCDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1ccc(OCC(F)(F)F)cc1O ZINC001235457847 1313327556 /nfs/dbraw/zinc/32/75/56/1313327556.db2.gz HJYVBSJJNFUIPL-AWEZNQCLSA-N 1 0 332.366 2.763 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@]4(CCN(C)C4=O)C3)c2c1 ZINC001273904719 1297066061 /nfs/dbraw/zinc/06/60/61/1297066061.db2.gz JMWWFAIXYKDPGF-HXUWFJFHSA-N 1 0 340.423 2.608 20 10 EFCDRO Cc1cc(Br)cc(CN2CCC(F)(F)[C@@H](C[NH3+])C2)c1O ZINC001205787106 1313356480 /nfs/dbraw/zinc/35/64/80/1313356480.db2.gz FPQYTWGPWXURCO-NSHDSACASA-N 1 0 349.219 2.879 20 10 EFCDRO C[C@H](NC(=O)NCC1(C)CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000776238180 1297225808 /nfs/dbraw/zinc/22/58/08/1297225808.db2.gz LMDGXPFHXSPYDO-HNNXBMFYSA-N 1 0 332.492 2.845 20 10 EFCDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000776239195 1297226619 /nfs/dbraw/zinc/22/66/19/1297226619.db2.gz RRXDBBWRKCRNJM-HOTGVXAUSA-N 1 0 332.492 2.797 20 10 EFCDRO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000776242749 1297241899 /nfs/dbraw/zinc/24/18/99/1297241899.db2.gz AGHUVXPHGARHJG-MAUKXSAKSA-N 1 0 330.476 2.693 20 10 EFCDRO COCCOc1ccc(N2CC[NH+](Cc3ncccc3C)CC2)cc1 ZINC001205813807 1313360871 /nfs/dbraw/zinc/36/08/71/1313360871.db2.gz JTPJRRFLFYOBEW-UHFFFAOYSA-N 1 0 341.455 2.737 20 10 EFCDRO COc1cc(O)c(CN2C[C@@H](C)CC[C@@H]2C[NH3+])c(Br)c1 ZINC001205855804 1313366553 /nfs/dbraw/zinc/36/65/53/1313366553.db2.gz PIPPGQXOQBIFCK-WDEREUQCSA-N 1 0 343.265 2.723 20 10 EFCDRO COc1cc(O)c(CN2C[C@@H](C)CC[C@H]2C[NH3+])c(Br)c1 ZINC001205855803 1313366952 /nfs/dbraw/zinc/36/69/52/1313366952.db2.gz PIPPGQXOQBIFCK-QWRGUYRKSA-N 1 0 343.265 2.723 20 10 EFCDRO COCCOc1ccc(N2CC[NH+](Cc3ccncc3C)CC2)cc1 ZINC001205868142 1313367964 /nfs/dbraw/zinc/36/79/64/1313367964.db2.gz XJXOELNCNFPTQK-UHFFFAOYSA-N 1 0 341.455 2.737 20 10 EFCDRO Cc1ccc(O[C@H]2C[C@@H]3CN(Cc4ccc(N)cc4)CC[N@@H+]3C2)cc1 ZINC001235661552 1313369097 /nfs/dbraw/zinc/36/90/97/1313369097.db2.gz ONOMPSRUZGJOEU-CTNGQTDRSA-N 1 0 337.467 2.915 20 10 EFCDRO CC(C)(C)c1ccc(C[NH+]2CC(N3CCOC(C)(C)C3)C2)c(O)c1 ZINC001235677862 1313372462 /nfs/dbraw/zinc/37/24/62/1313372462.db2.gz IDDVVMMBNPPNJX-UHFFFAOYSA-N 1 0 332.488 2.985 20 10 EFCDRO COC(=O)[C@H]1COCCC12C[NH+](Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001235678741 1313373334 /nfs/dbraw/zinc/37/33/34/1313373334.db2.gz MFSWUIGUFWHHRB-MRXNPFEDSA-N 1 0 347.455 2.701 20 10 EFCDRO CC(C)(C)c1ccc(C[NH+]2CCC(N3CCOCC3=O)CC2)c(O)c1 ZINC001235682690 1313374395 /nfs/dbraw/zinc/37/43/95/1313374395.db2.gz ZJGUKOZXIYZCAC-UHFFFAOYSA-N 1 0 346.471 2.513 20 10 EFCDRO CN(C)c1ccc(CN2CC[NH2+]C[C@H]2c2ccccc2F)c(O)c1 ZINC001235754596 1313387963 /nfs/dbraw/zinc/38/79/63/1313387963.db2.gz VPLZCBXBDXPYEW-SFHVURJKSA-N 1 0 329.419 2.744 20 10 EFCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206003468 1313389726 /nfs/dbraw/zinc/38/97/26/1313389726.db2.gz IHHGBRPYYZWMQB-UONOGXRCSA-N 1 0 330.428 2.614 20 10 EFCDRO COCCCN(Cc1c(O)ccc(F)c1Cl)[C@H]1CCC[NH2+]C1 ZINC001235808466 1313401942 /nfs/dbraw/zinc/40/19/42/1313401942.db2.gz CTKSPZSGTVQHQO-LBPRGKRZSA-N 1 0 330.831 2.775 20 10 EFCDRO COCCCN(Cc1ccc(N2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC001235808539 1313402032 /nfs/dbraw/zinc/40/20/32/1313402032.db2.gz UVYKTCAWYLCPQC-FQEVSTJZSA-N 1 0 331.504 2.877 20 10 EFCDRO COCCCN(Cc1cc(F)c(Cl)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001235808866 1313402326 /nfs/dbraw/zinc/40/23/26/1313402326.db2.gz GXMNXNRBSNSAAS-CYBMUJFWSA-N 1 0 330.831 2.775 20 10 EFCDRO CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1c(C)cc(C)cc1O ZINC001276364743 1297614139 /nfs/dbraw/zinc/61/41/39/1297614139.db2.gz DSDDENPANFZXEH-CALCHBBNSA-N 1 0 340.471 2.684 20 10 EFCDRO COc1cc(N(C)C)ccc1CN1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC001235849386 1313409215 /nfs/dbraw/zinc/40/92/15/1313409215.db2.gz KCSIOFNYDKZFGG-HXUWFJFHSA-N 1 0 339.483 2.778 20 10 EFCDRO CC(C)C[C@H]1CN(Cc2cc(O)c(Br)cc2O)CC[NH2+]1 ZINC001235881998 1313414267 /nfs/dbraw/zinc/41/42/67/1313414267.db2.gz NZAFYDWDIAAGDJ-LBPRGKRZSA-N 1 0 343.265 2.680 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c2ccccc2n1C ZINC001235903252 1313415577 /nfs/dbraw/zinc/41/55/77/1313415577.db2.gz VZALCYPJDMGEMU-OKILXGFUSA-N 1 0 329.444 2.537 20 10 EFCDRO [NH3+][C@H]1CN(Cc2cc(OCc3ccccc3)ccc2O)CC[C@H]1F ZINC001235905978 1313416581 /nfs/dbraw/zinc/41/65/81/1313416581.db2.gz KMGRDWXSOAIBQJ-MSOLQXFVSA-N 1 0 330.403 2.842 20 10 EFCDRO Cc1cc(Br)cc(CN2CC[C@@H]([NH3+])C(F)(F)C2)c1O ZINC001235915798 1313417730 /nfs/dbraw/zinc/41/77/30/1313417730.db2.gz UNPDRMXIEFEPSD-LLVKDONJSA-N 1 0 335.192 2.631 20 10 EFCDRO CCOC(=O)c1c(CN2CC[C@@H](F)[C@@H]([NH3+])CC2)c2ccccc2n1C ZINC001206197892 1313419849 /nfs/dbraw/zinc/41/98/49/1313419849.db2.gz KCCVLSYCBUAMTF-CVEARBPZSA-N 1 0 347.434 2.616 20 10 EFCDRO CCN(Cc1cc2c3c(c1O)CCCN3CCC2)[C@H]1CCC[NH2+]C1 ZINC001236005791 1313430284 /nfs/dbraw/zinc/43/02/84/1313430284.db2.gz PIEDESJJDSFIQL-KRWDZBQOSA-N 1 0 329.488 2.665 20 10 EFCDRO CCOC(=O)c1c(CN(CC)[C@H]2CCC[NH2+]C2)c2ccccc2n1C ZINC001236008638 1313430507 /nfs/dbraw/zinc/43/05/07/1313430507.db2.gz HIBKAZIUBOZAMU-HNNXBMFYSA-N 1 0 343.471 2.929 20 10 EFCDRO CCN(Cc1ccc(N2CCOCC2)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC001236005800 1313430715 /nfs/dbraw/zinc/43/07/15/1313430715.db2.gz FGZXZVDTHRXYQZ-INIZCTEOSA-N 1 0 337.895 2.751 20 10 EFCDRO N[C@]1(C(F)(F)F)CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001206237183 1313423913 /nfs/dbraw/zinc/42/39/13/1313423913.db2.gz HDQRDMUHAQAPIX-QGZVFWFLSA-N 1 0 339.405 2.851 20 10 EFCDRO N[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001206245455 1313425845 /nfs/dbraw/zinc/42/58/45/1313425845.db2.gz UGMXRUQGCOCKBA-LLVKDONJSA-N 1 0 344.255 2.756 20 10 EFCDRO CCN(Cc1ccc(N2CCOCC2)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001236005801 1313430964 /nfs/dbraw/zinc/43/09/64/1313430964.db2.gz FGZXZVDTHRXYQZ-MRXNPFEDSA-N 1 0 337.895 2.751 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@H](C)C[C@H]([NH3+])C2)c2ccccc2n1C ZINC001236050781 1313434349 /nfs/dbraw/zinc/43/43/49/1313434349.db2.gz IYMUQQOKOMDATD-KGLIPLIRSA-N 1 0 329.444 2.524 20 10 EFCDRO [NH3+]C[C@@]1(F)CCCCN(Cc2cc(Br)ccc2O)C1 ZINC001206335512 1313438347 /nfs/dbraw/zinc/43/83/47/1313438347.db2.gz FQMOTTYREBKIFH-AWEZNQCLSA-N 1 0 331.229 2.808 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001236094018 1313440267 /nfs/dbraw/zinc/44/02/67/1313440267.db2.gz YGIMTSSTOQZTJP-IYBDPMFKSA-N 1 0 335.879 2.503 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[NH2+][C@@H](C)C2)c2ccccc2n1C ZINC001236101636 1313441185 /nfs/dbraw/zinc/44/11/85/1313441185.db2.gz YKBOOUXGKDQWQH-AWEZNQCLSA-N 1 0 329.444 2.539 20 10 EFCDRO CCC[C@H]1CN(Cc2c(Br)ccc(OC)c2O)CC[NH2+]1 ZINC001236178528 1313452017 /nfs/dbraw/zinc/45/20/17/1313452017.db2.gz MCMWOXCIJQWGJX-NSHDSACASA-N 1 0 343.265 2.737 20 10 EFCDRO COC(=O)c1c(CN(C)[C@H]2CCCC[C@H]2[NH3+])c2ccccc2n1C ZINC001236213877 1313456576 /nfs/dbraw/zinc/45/65/76/1313456576.db2.gz CCDXWVJUGTWHEM-WBVHZDCISA-N 1 0 329.444 2.667 20 10 EFCDRO CCC[C@H]1CN(Cc2cc(OC)c(Br)cc2O)CC[NH2+]1 ZINC001236179350 1313452210 /nfs/dbraw/zinc/45/22/10/1313452210.db2.gz QWQGWQLXVISCJR-LBPRGKRZSA-N 1 0 343.265 2.737 20 10 EFCDRO C[N@H+](Cc1cc(Br)cc(F)c1[O-])[C@H]1CCCC[C@H]1[NH3+] ZINC001236212953 1313456602 /nfs/dbraw/zinc/45/66/02/1313456602.db2.gz ANJBFNPYPJRPRK-OLZOCXBDSA-N 1 0 331.229 2.996 20 10 EFCDRO CCOC(=O)c1c(CN(C)[C@]2(C)CCC[NH2+]C2)c2ccccc2n1C ZINC001236206251 1313455500 /nfs/dbraw/zinc/45/55/00/1313455500.db2.gz JPQUOUKPIDYMSU-HXUWFJFHSA-N 1 0 343.471 2.929 20 10 EFCDRO CN(Cc1cc2c3c(c1O)CCCN3CCC2)[C@]1(C)CCC[NH2+]C1 ZINC001236207595 1313455824 /nfs/dbraw/zinc/45/58/24/1313455824.db2.gz OSUAICGLDQQTFY-HXUWFJFHSA-N 1 0 329.488 2.665 20 10 EFCDRO [NH3+][C@@H]1C[C@H](F)CN(Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001206447634 1313456220 /nfs/dbraw/zinc/45/62/20/1313456220.db2.gz YPCFHIHVSLXOAF-DLBZAZTESA-N 1 0 330.403 2.842 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[C@@H]1O ZINC000779199942 1298051656 /nfs/dbraw/zinc/05/16/56/1298051656.db2.gz NHJXGVSTABDHFM-KDOFPFPSSA-N 1 0 333.432 2.788 20 10 EFCDRO Oc1c(CN(C2CC2)[C@H]2CCC[NH2+]C2)cc2c3c1CCCN3CCC2 ZINC001236239336 1313459533 /nfs/dbraw/zinc/45/95/33/1313459533.db2.gz JXIIWDICPYWFHB-SFHVURJKSA-N 1 0 341.499 2.807 20 10 EFCDRO COCCN(Cc1ccc(N(C)C)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001236330249 1313470747 /nfs/dbraw/zinc/47/07/47/1313470747.db2.gz MLNCCMXZSZLSJG-MRXNPFEDSA-N 1 0 325.884 2.606 20 10 EFCDRO CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001049914214 1313477103 /nfs/dbraw/zinc/47/71/03/1313477103.db2.gz BGBSUTCZMXXUSH-HZPDHXFCSA-N 1 0 343.431 2.938 20 10 EFCDRO CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001049914215 1313477544 /nfs/dbraw/zinc/47/75/44/1313477544.db2.gz BGBSUTCZMXXUSH-JKSUJKDBSA-N 1 0 343.431 2.938 20 10 EFCDRO CCOC(=O)C1(C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825537635 1298241459 /nfs/dbraw/zinc/24/14/59/1298241459.db2.gz ZJXMJFBGZLNNMG-UHFFFAOYSA-N 1 0 328.206 2.588 20 10 EFCDRO CC(C)CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236477740 1313486070 /nfs/dbraw/zinc/48/60/70/1313486070.db2.gz KYUNDPSERGFJGU-HXUWFJFHSA-N 1 0 331.504 2.733 20 10 EFCDRO CCOC(=O)c1c(CN(C(C)C)[C@H]2CC[NH2+]C2)c2ccccc2n1C ZINC001236531534 1313489041 /nfs/dbraw/zinc/48/90/41/1313489041.db2.gz ZZHFYAPKBAUAAD-HNNXBMFYSA-N 1 0 343.471 2.927 20 10 EFCDRO C[NH+](C)Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1F ZINC000779528926 1298325096 /nfs/dbraw/zinc/32/50/96/1298325096.db2.gz AZEKYTZNFRHEMQ-YWEYNIOJSA-N 1 0 330.359 2.950 20 10 EFCDRO COC(=O)c1c(CN2C[C@@H](C[NH3+])CC[C@H]2C)c2ccccc2n1C ZINC001206770128 1313503899 /nfs/dbraw/zinc/50/38/99/1313503899.db2.gz RGNMWKIHZAOTPL-ZIAGYGMSSA-N 1 0 329.444 2.524 20 10 EFCDRO C[N@H+](C1CC1)[C@H]1CCN(Cc2cc(O)c(Br)cc2O)C1 ZINC001236763231 1313524769 /nfs/dbraw/zinc/52/47/69/1313524769.db2.gz XCQKQXGCKWSULT-LBPRGKRZSA-N 1 0 341.249 2.529 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)c(O)cc1Br ZINC001236744704 1313520853 /nfs/dbraw/zinc/52/08/53/1313520853.db2.gz BVXCVOZGGQVSLO-GWCFXTLKSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)Cc2cnc3ccccn23)cc1OC ZINC001236748905 1313521928 /nfs/dbraw/zinc/52/19/28/1313521928.db2.gz BWWOMEQZNXUVEF-UHFFFAOYSA-N 1 0 327.384 2.689 20 10 EFCDRO CCc1noc(C2CC[NH+](Cc3cc(OC)c(OC)cc3O)CC2)n1 ZINC001236752961 1313522288 /nfs/dbraw/zinc/52/22/88/1313522288.db2.gz YZTGBAGGRCOHKR-UHFFFAOYSA-N 1 0 347.415 2.734 20 10 EFCDRO COC(=O)c1cccc(C[N@H+](C)Cc2cc(OC)c(OC)cc2O)c1 ZINC001236751132 1313522335 /nfs/dbraw/zinc/52/23/35/1313522335.db2.gz AQXNJBGUVZFQLA-UHFFFAOYSA-N 1 0 345.395 2.828 20 10 EFCDRO COc1cc(C[N@H+](C)CC2(C)COC2)c(O)cc1Br ZINC001236753529 1313522348 /nfs/dbraw/zinc/52/23/48/1313522348.db2.gz PDFMZWZGVKPQMX-UHFFFAOYSA-N 1 0 330.222 2.632 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(n3nccc3C)CC2)cc1OC ZINC001236753452 1313522400 /nfs/dbraw/zinc/52/24/00/1313522400.db2.gz NYTODQYZOVDNRB-UHFFFAOYSA-N 1 0 331.416 2.751 20 10 EFCDRO COc1cc(C[NH+]2CC([C@H](C)OC)C2)c(O)cc1Br ZINC001236752018 1313522575 /nfs/dbraw/zinc/52/25/75/1313522575.db2.gz SGADHHODKFPQCB-VIFPVBQESA-N 1 0 330.222 2.630 20 10 EFCDRO CCc1nnc(C2CC[NH+](Cc3cc(OC)c(OC)cc3O)CC2)o1 ZINC001236755255 1313522942 /nfs/dbraw/zinc/52/29/42/1313522942.db2.gz BVJVINQEGOYTIR-UHFFFAOYSA-N 1 0 347.415 2.734 20 10 EFCDRO COC(=O)c1cc(C[N@@H+]2CCc3cccc(O)c3C2)cc(OC)c1 ZINC001236762076 1313523621 /nfs/dbraw/zinc/52/36/21/1313523621.db2.gz LYBIKFHPMXWPSU-UHFFFAOYSA-N 1 0 327.380 2.746 20 10 EFCDRO O=C1CCC[C@H]2C[N@@H+](Cc3cc(O)c(Br)cc3O)C[C@@H]12 ZINC001236763727 1313524281 /nfs/dbraw/zinc/52/42/81/1313524281.db2.gz CCSJGYJBPWSYOI-GXSJLCMTSA-N 1 0 340.217 2.661 20 10 EFCDRO Oc1cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c(O)cc1Br ZINC001236771294 1313526288 /nfs/dbraw/zinc/52/62/88/1313526288.db2.gz OTCPDMLKGBQOLA-HNNXBMFYSA-N 1 0 342.233 2.863 20 10 EFCDRO Oc1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c(O)cc1Br ZINC001236776089 1313526824 /nfs/dbraw/zinc/52/68/24/1313526824.db2.gz SXHLGHLAPITOCI-GFCCVEGCSA-N 1 0 341.249 2.530 20 10 EFCDRO CCOC(=O)c1ncn2c1CN(Cc1ccc(CC)cc1O)CCC2 ZINC001236782431 1313527384 /nfs/dbraw/zinc/52/73/84/1313527384.db2.gz BIXQEHSEOVJHRU-UHFFFAOYSA-N 1 0 343.427 2.734 20 10 EFCDRO C[C@H]1CN(C)C(=O)CN1Cc1cc(OCc2ccccc2)ccc1O ZINC001236782755 1313527484 /nfs/dbraw/zinc/52/74/84/1313527484.db2.gz NHOBLLRAHLLLGS-HNNXBMFYSA-N 1 0 340.423 2.634 20 10 EFCDRO Oc1ccc(OCc2ccccc2)cc1C[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001236778701 1313527492 /nfs/dbraw/zinc/52/74/92/1313527492.db2.gz LXASQCHHOLEHFM-MJGOQNOKSA-N 1 0 331.387 2.876 20 10 EFCDRO CNC(=O)CC[N@H+](C)Cc1cc(OCc2ccccc2)ccc1O ZINC001236786194 1313528412 /nfs/dbraw/zinc/52/84/12/1313528412.db2.gz SKXVUBLGJSYUJG-UHFFFAOYSA-N 1 0 328.412 2.539 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NC2CC[NH+](CC3CC3)CC2)cc1F ZINC000195201039 1298623673 /nfs/dbraw/zinc/62/36/73/1298623673.db2.gz KLBGUKIPWKGEBT-UHFFFAOYSA-N 1 0 348.466 2.565 20 10 EFCDRO CCc1ccc(C[NH+]2CCN(c3ccc(OC)cn3)CC2)c(O)c1 ZINC001236788812 1313529398 /nfs/dbraw/zinc/52/93/98/1313529398.db2.gz QUGBZTKNZNZEGL-UHFFFAOYSA-N 1 0 327.428 2.680 20 10 EFCDRO CCc1ccc(C[NH+]2CCN(c3cccc(OC)n3)CC2)c(O)c1 ZINC001236792857 1313529865 /nfs/dbraw/zinc/52/98/65/1313529865.db2.gz SJFSIRMUXOMVQR-UHFFFAOYSA-N 1 0 327.428 2.680 20 10 EFCDRO Oc1cc(Cl)c(Cl)cc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001236796474 1313530369 /nfs/dbraw/zinc/53/03/69/1313530369.db2.gz PJZWPYNEGFYSIK-CYBMUJFWSA-N 1 0 345.270 2.996 20 10 EFCDRO COC(=O)C1(C)CC[NH+](Cc2c(O)cc(OC)cc2Cl)CC1 ZINC001236798976 1313531123 /nfs/dbraw/zinc/53/11/23/1313531123.db2.gz KITVLBGMTUANSZ-UHFFFAOYSA-N 1 0 327.808 2.829 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(Oc3ncccn3)CC2)c(Cl)c1 ZINC001236803934 1313531994 /nfs/dbraw/zinc/53/19/94/1313531994.db2.gz QSNWCQSGPZTMSY-UHFFFAOYSA-N 1 0 349.818 2.888 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)Cc2cn(C)nc21 ZINC001236807484 1313532812 /nfs/dbraw/zinc/53/28/12/1313532812.db2.gz DRLFJDPJXKHUNR-OAHLLOKOSA-N 1 0 345.443 2.579 20 10 EFCDRO COc1ccc(C[NH+]2CCN(c3ccccn3)CC2)c([O-])c1Cl ZINC001236806102 1313533205 /nfs/dbraw/zinc/53/32/05/1313533205.db2.gz MFGDTFKRLSWLDC-UHFFFAOYSA-N 1 0 333.819 2.771 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC3(CCOC3=O)CC2)c(Cl)c1 ZINC001236808644 1313534369 /nfs/dbraw/zinc/53/43/69/1313534369.db2.gz QJAITNDTHBCAHD-UHFFFAOYSA-N 1 0 325.792 2.583 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@@]3(CCCN3C(=O)C(C)C)C2)c(O)c1 ZINC001236814752 1313535706 /nfs/dbraw/zinc/53/57/06/1313535706.db2.gz VUDJHFYYIBBBHT-FQEVSTJZSA-N 1 0 346.471 2.932 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@]3(CCCN3C(=O)C(C)C)C2)c(O)c1 ZINC001236814756 1313535959 /nfs/dbraw/zinc/53/59/59/1313535959.db2.gz VUDJHFYYIBBBHT-HXUWFJFHSA-N 1 0 346.471 2.932 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](Oc3ncncc3C)C2)c(O)c1 ZINC001236816783 1313536151 /nfs/dbraw/zinc/53/61/51/1313536151.db2.gz WTTKCYRFHYAAIO-OAHLLOKOSA-N 1 0 343.427 2.851 20 10 EFCDRO Oc1cc2ccccc2cc1C[N@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001236832529 1313538349 /nfs/dbraw/zinc/53/83/49/1313538349.db2.gz PDSRQUYLZHQCBM-KDURUIRLSA-N 1 0 346.434 2.904 20 10 EFCDRO O=C1CN(Cc2cc3ccccc3cc2O)CCN1c1ccccn1 ZINC001236836610 1313539402 /nfs/dbraw/zinc/53/94/02/1313539402.db2.gz LNZQVRMILZYWRM-UHFFFAOYSA-N 1 0 333.391 2.789 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3ccccn3)C2)cc1C ZINC000961484795 1298785323 /nfs/dbraw/zinc/78/53/23/1298785323.db2.gz NKTJLXAWBYOAPF-UHFFFAOYSA-N 1 0 339.439 2.697 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN1CC([NH+]2CCCCC2)C1 ZINC001236918382 1313552731 /nfs/dbraw/zinc/55/27/31/1313552731.db2.gz GTPUKUZNDHYYLL-UHFFFAOYSA-N 1 0 349.906 2.847 20 10 EFCDRO CC[N@H+](CCn1cccn1)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236919804 1313553360 /nfs/dbraw/zinc/55/33/60/1313553360.db2.gz QNTFHAQLXVQQQF-UHFFFAOYSA-N 1 0 348.878 2.895 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001236920375 1313553924 /nfs/dbraw/zinc/55/39/24/1313553924.db2.gz UUVJUFFFDBCYRH-SFHVURJKSA-N 1 0 349.906 2.847 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001236924602 1313554052 /nfs/dbraw/zinc/55/40/52/1313554052.db2.gz NDLGCWWYBHKCNG-GOSISDBHSA-N 1 0 336.863 2.932 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001236924603 1313554200 /nfs/dbraw/zinc/55/42/00/1313554200.db2.gz NDLGCWWYBHKCNG-SFHVURJKSA-N 1 0 336.863 2.932 20 10 EFCDRO C[N@@H+]1C[C@H]2CCCN(Cc3ccc(N4CCOCC4)cc3Cl)[C@H]2C1 ZINC001236928569 1313555625 /nfs/dbraw/zinc/55/56/25/1313555625.db2.gz XYGLXJRDZMILDC-APWZRJJASA-N 1 0 349.906 2.703 20 10 EFCDRO CCN(CCC[NH+](C)C)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236931257 1313555900 /nfs/dbraw/zinc/55/59/00/1313555900.db2.gz RMHTYVVFKKWHFP-UHFFFAOYSA-N 1 0 339.911 2.950 20 10 EFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(C)cc3)CC2)cc1F ZINC000084866489 1298861270 /nfs/dbraw/zinc/86/12/70/1298861270.db2.gz WSVUYMQEXNBUPO-LJQANCHMSA-N 1 0 344.430 2.998 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN3Cc4ncsc4C3)c(F)c2)CC1 ZINC001236944027 1313558345 /nfs/dbraw/zinc/55/83/45/1313558345.db2.gz YQQDSYKIMQSYMN-UHFFFAOYSA-N 1 0 332.448 2.550 20 10 EFCDRO COCCCN(Cc1cccc(C(F)(F)F)c1O)[C@H]1CC[NH2+]C1 ZINC001236949351 1313559954 /nfs/dbraw/zinc/55/99/54/1313559954.db2.gz YSLDSZOKIKBCQZ-ZDUSSCGKSA-N 1 0 332.366 2.611 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CCN[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001236978675 1313565537 /nfs/dbraw/zinc/56/55/37/1313565537.db2.gz CXLRZAWXUYTXQN-OAHLLOKOSA-N 1 0 331.382 2.575 20 10 EFCDRO COc1ccc2ccc(O)c(CN3CC[NH2+]C[C@@H]3C(F)(F)F)c2c1 ZINC001236981788 1313565775 /nfs/dbraw/zinc/56/57/75/1313565775.db2.gz NXIXFNZFOYNCMH-MRXNPFEDSA-N 1 0 340.345 2.890 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC(N3CC(F)(F)C3)CC2)c(O)c1 ZINC001237042793 1313574201 /nfs/dbraw/zinc/57/42/01/1313574201.db2.gz IJWUGRSFEPKUNE-UHFFFAOYSA-N 1 0 326.387 2.706 20 10 EFCDRO CCOc1ccc(C[NH+]2CC3(CN(c4ccccc4)C3=O)C2)c(O)c1 ZINC001237041245 1313574661 /nfs/dbraw/zinc/57/46/61/1313574661.db2.gz HDSBEYFPYRXFAD-UHFFFAOYSA-N 1 0 338.407 2.640 20 10 EFCDRO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(OCC)cc1O ZINC001237045770 1313574781 /nfs/dbraw/zinc/57/47/81/1313574781.db2.gz JJXGLEMWHRKLJR-OWQGQXMQSA-N 1 0 333.428 2.955 20 10 EFCDRO CCOc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c(O)c1 ZINC001237047033 1313574877 /nfs/dbraw/zinc/57/48/77/1313574877.db2.gz QOZVLVVFOZGRLY-HOCLYGCPSA-N 1 0 348.443 2.842 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3cc(C)ncn3)C2)c(O)c1 ZINC001237047061 1313575109 /nfs/dbraw/zinc/57/51/09/1313575109.db2.gz JVXIUJRFDJCMFJ-QGZVFWFLSA-N 1 0 343.427 2.933 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@H](Oc3ccnc(OC)c3)C2)c(O)c1 ZINC001237047368 1313575241 /nfs/dbraw/zinc/57/52/41/1313575241.db2.gz LUWXJEHOSRWJCX-KRWDZBQOSA-N 1 0 344.411 2.848 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC3(CCN(CC)C3=O)CC2)c(O)c1 ZINC001237047063 1313575336 /nfs/dbraw/zinc/57/53/36/1313575336.db2.gz QTHSDLXALQRZDP-UHFFFAOYSA-N 1 0 332.444 2.625 20 10 EFCDRO C[NH+](C)C1CCN(Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237050490 1313575689 /nfs/dbraw/zinc/57/56/89/1313575689.db2.gz BWAPFHKPDYYREA-UHFFFAOYSA-N 1 0 332.366 2.859 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](Oc3nccc(C)n3)C2)c(O)c1 ZINC001237048851 1313576022 /nfs/dbraw/zinc/57/60/22/1313576022.db2.gz XQEURQIHHGSSNL-KRWDZBQOSA-N 1 0 343.427 2.933 20 10 EFCDRO CCOc1ccc(C[NH+]2CC(CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001237048939 1313576056 /nfs/dbraw/zinc/57/60/56/1313576056.db2.gz BOYBVYQLMKFAMD-UHFFFAOYSA-N 1 0 336.432 2.747 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3nccc(C)n3)C2)c(O)c1 ZINC001237048473 1313576070 /nfs/dbraw/zinc/57/60/70/1313576070.db2.gz SFCVSIYCQVIPOU-MRXNPFEDSA-N 1 0 329.400 2.543 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000085366477 1299016477 /nfs/dbraw/zinc/01/64/77/1299016477.db2.gz RSCPWDZMFBJAQD-OAHLLOKOSA-N 1 0 334.508 2.837 20 10 EFCDRO C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C(C)(C)C[NH+](C)C ZINC000085367313 1299016880 /nfs/dbraw/zinc/01/68/80/1299016880.db2.gz GZHOSPOKZPDNTK-CYBMUJFWSA-N 1 0 338.471 2.667 20 10 EFCDRO COc1cc(O)c(CN(C)C2CC[NH+](C)CC2)c(Br)c1 ZINC001237064305 1313580356 /nfs/dbraw/zinc/58/03/56/1313580356.db2.gz ZYRSVUPGZZCWMN-UHFFFAOYSA-N 1 0 343.265 2.689 20 10 EFCDRO Cc1cc(C)c(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)c(O)c1 ZINC001276365597 1299019479 /nfs/dbraw/zinc/01/94/79/1299019479.db2.gz RYUYGBZHKWPOTF-IRXDYDNUSA-N 1 0 331.460 2.776 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c(Br)c1 ZINC001237072801 1313581758 /nfs/dbraw/zinc/58/17/58/1313581758.db2.gz KEMNNVOJCMFXNC-UWVGGRQHSA-N 1 0 330.222 2.509 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]23CCOC3)c(Br)c1 ZINC001237071134 1313582062 /nfs/dbraw/zinc/58/20/62/1313582062.db2.gz QJAAXSJZYUHTKG-HNNXBMFYSA-N 1 0 342.233 2.918 20 10 EFCDRO CSC[C@](C)(O)C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000305807262 1299031730 /nfs/dbraw/zinc/03/17/30/1299031730.db2.gz ZOJCCNCTZNAPEZ-CYBMUJFWSA-N 1 0 334.279 2.667 20 10 EFCDRO CCOc1ccc(CN2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)c(O)c1 ZINC001237049511 1313576311 /nfs/dbraw/zinc/57/63/11/1313576311.db2.gz GYYDGRVLJDHMHC-CVEARBPZSA-N 1 0 348.443 2.985 20 10 EFCDRO COC[C@H]1C[N@H+](Cc2ccc(C(C)C)cc2O)Cc2cn(C)nc21 ZINC001237051629 1313576813 /nfs/dbraw/zinc/57/68/13/1313576813.db2.gz NOTNQVFOYUAYHP-QGZVFWFLSA-N 1 0 329.444 2.995 20 10 EFCDRO CCN(C)C(=O)CO[C@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237051245 1313577004 /nfs/dbraw/zinc/57/70/04/1313577004.db2.gz JAUCFNQZGUWXNU-SFHVURJKSA-N 1 0 348.487 2.975 20 10 EFCDRO CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C(C)C)cc3O)CC[C@@H]2C1 ZINC001237051500 1313577014 /nfs/dbraw/zinc/57/70/14/1313577014.db2.gz MCQHVNOTISIQSL-UYAOXDASSA-N 1 0 346.471 2.585 20 10 EFCDRO C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC[C@H]1O ZINC001237052881 1313577125 /nfs/dbraw/zinc/57/71/25/1313577125.db2.gz DJBGWYXCLDWMBA-SMDDNHRTSA-N 1 0 333.350 2.926 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001237052706 1313577253 /nfs/dbraw/zinc/57/72/53/1313577253.db2.gz BVQNLZYNOAOETK-QWHCGFSZSA-N 1 0 337.313 2.628 20 10 EFCDRO CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3O)CC[C@@H]21 ZINC001237051044 1313577398 /nfs/dbraw/zinc/57/73/98/1313577398.db2.gz IJLODCJNAMUOSF-ICSRJNTNSA-N 1 0 346.471 2.727 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC001237055522 1313577728 /nfs/dbraw/zinc/57/77/28/1313577728.db2.gz FDZNAJFLCKSGAB-ZDUSSCGKSA-N 1 0 330.350 2.613 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CCC[C@H]1O ZINC001237053781 1313577815 /nfs/dbraw/zinc/57/78/15/1313577815.db2.gz QHMYEKSRFOBSEP-SMDDNHRTSA-N 1 0 333.350 2.926 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC001237053972 1313577989 /nfs/dbraw/zinc/57/79/89/1313577989.db2.gz RYNHAWVGJLLCOW-HNNXBMFYSA-N 1 0 331.334 2.946 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001237110751 1313587581 /nfs/dbraw/zinc/58/75/81/1313587581.db2.gz JTMOZACANVDXQK-GFCCVEGCSA-N 1 0 330.350 2.961 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3[nH]ccc3C)C2)cc1C ZINC000961793359 1299117258 /nfs/dbraw/zinc/11/72/58/1299117258.db2.gz KBEDWQUSSIDWRB-UHFFFAOYSA-N 1 0 341.455 2.938 20 10 EFCDRO O=C1CCC[C@]2(CCC[N@@H+](Cc3c(O)ccc(F)c3Cl)C2)N1 ZINC001237120253 1313589586 /nfs/dbraw/zinc/58/95/86/1313589586.db2.gz AEVRLXXEWLBPAS-MRXNPFEDSA-N 1 0 326.799 2.819 20 10 EFCDRO CCN1CC[C@@]2(C[N@H+](Cc3c(O)ccc(F)c3Cl)C[C@@H]2C)C1=O ZINC001237120767 1313590740 /nfs/dbraw/zinc/59/07/40/1313590740.db2.gz GGPIFQHDZHHXRC-GTNSWQLSSA-N 1 0 340.826 2.875 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1CN1CCC([NH+]2CCC2)CC1 ZINC001237125172 1313591292 /nfs/dbraw/zinc/59/12/92/1313591292.db2.gz JNYFBXOSNJABIJ-UHFFFAOYSA-N 1 0 330.350 2.961 20 10 EFCDRO CC[NH+]1C[C@H]2CN(Cc3c(O)cccc3OC(F)(F)F)C[C@@H]2C1 ZINC001237125616 1313591359 /nfs/dbraw/zinc/59/13/59/1313591359.db2.gz OLWNMMVVDOOMPK-RYUDHWBXSA-N 1 0 330.350 2.674 20 10 EFCDRO Cc1cncnc1O[C@@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237129098 1313591756 /nfs/dbraw/zinc/59/17/56/1313591756.db2.gz USRMZQLYPCKGPD-LLVKDONJSA-N 1 0 337.782 2.936 20 10 EFCDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3O)C[C@H]21 ZINC001237138451 1313592189 /nfs/dbraw/zinc/59/21/89/1313592189.db2.gz DFPKQTJMGYTRLF-NHAGDIPZSA-N 1 0 342.361 2.613 20 10 EFCDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237138998 1313592240 /nfs/dbraw/zinc/59/22/40/1313592240.db2.gz BFGAQUVEILLDKS-CYBMUJFWSA-N 1 0 330.350 2.902 20 10 EFCDRO CCOC(=O)[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2O)CCS1 ZINC001237143229 1313592432 /nfs/dbraw/zinc/59/24/32/1313592432.db2.gz KPYFTBZQRPSYIT-ZDUSSCGKSA-N 1 0 349.374 2.892 20 10 EFCDRO CCC1CC[NH+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC001237203028 1313605328 /nfs/dbraw/zinc/60/53/28/1313605328.db2.gz OUKQBQKLBWCEPO-UHFFFAOYSA-N 1 0 336.501 2.543 20 10 EFCDRO CCC(CC)[N@H+](CC)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237210367 1313606221 /nfs/dbraw/zinc/60/62/21/1313606221.db2.gz PIZSJTVNMFGCSD-UHFFFAOYSA-N 1 0 338.517 2.932 20 10 EFCDRO O=S1(=O)CCN(c2ccc(C[NH+]3CCCCCCC3)cc2)CC1 ZINC001237212215 1313606956 /nfs/dbraw/zinc/60/69/56/1313606956.db2.gz LOSNBVYAUSGBKA-UHFFFAOYSA-N 1 0 336.501 2.688 20 10 EFCDRO COCCOc1ccc(N2CC[NH+](Cc3cccc(N)c3)CC2)cc1 ZINC001237219067 1313608060 /nfs/dbraw/zinc/60/80/60/1313608060.db2.gz HPHPNXDTOONCCZ-UHFFFAOYSA-N 1 0 341.455 2.616 20 10 EFCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000109769757 1299337195 /nfs/dbraw/zinc/33/71/95/1299337195.db2.gz NTAGQCVXGJQAKB-INIZCTEOSA-N 1 0 341.367 2.538 20 10 EFCDRO C[N@H+](CC(=O)NCCOc1ccc(Cl)cc1)Cc1ccccc1O ZINC000109772453 1299337336 /nfs/dbraw/zinc/33/73/36/1299337336.db2.gz WKAMSAQJSAUGMC-UHFFFAOYSA-N 1 0 348.830 2.673 20 10 EFCDRO COc1ccc(N2CCN(CC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cc1F ZINC000851808029 1299408225 /nfs/dbraw/zinc/40/82/25/1299408225.db2.gz JSEMXEPVXLHAMM-IAGOWNOFSA-N 1 0 349.494 2.934 20 10 EFCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000852010336 1299502540 /nfs/dbraw/zinc/50/25/40/1299502540.db2.gz WVZMEMZUKXELJX-FQEVSTJZSA-N 1 0 331.504 2.829 20 10 EFCDRO Cc1cc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)ccc1N(C)C ZINC000852283161 1299630926 /nfs/dbraw/zinc/63/09/26/1299630926.db2.gz CQHSATBIXWBZBL-IBGZPJMESA-N 1 0 332.488 2.718 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237413113 1313640861 /nfs/dbraw/zinc/64/08/61/1313640861.db2.gz JHMKHJXBZUFYGZ-LPHOPBHVSA-N 1 0 349.906 2.751 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000852465229 1299713014 /nfs/dbraw/zinc/71/30/14/1299713014.db2.gz CRHJJDAZZNARSC-INIZCTEOSA-N 1 0 332.492 2.767 20 10 EFCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(C(=O)OC)nc1 ZINC001237441812 1313645319 /nfs/dbraw/zinc/64/53/19/1313645319.db2.gz PWBVDPJJTXQRKH-UHFFFAOYSA-N 1 0 327.428 2.956 20 10 EFCDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000852605986 1299779377 /nfs/dbraw/zinc/77/93/77/1299779377.db2.gz ZRPBNNVJPGVOFS-INIZCTEOSA-N 1 0 332.492 2.672 20 10 EFCDRO COC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2c(C)cccc2O)c1 ZINC001237454260 1313647849 /nfs/dbraw/zinc/64/78/49/1313647849.db2.gz JEHVSXGNGHBCEK-GOSISDBHSA-N 1 0 340.423 2.634 20 10 EFCDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000852701908 1299823724 /nfs/dbraw/zinc/82/37/24/1299823724.db2.gz VQPZBYDDLWGQJY-QNBRMCRTSA-N 1 0 329.488 2.974 20 10 EFCDRO C[C@@H]1Cc2cc(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)ccc2O1 ZINC000852791057 1299888554 /nfs/dbraw/zinc/88/85/54/1299888554.db2.gz CITUCYBJTQUHLJ-ACJLOTCBSA-N 1 0 339.439 2.506 20 10 EFCDRO Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852791964 1299888601 /nfs/dbraw/zinc/88/86/01/1299888601.db2.gz OFAGNJVQUUCNQW-XUVXKRRUSA-N 1 0 337.467 2.981 20 10 EFCDRO Cc1cccc(O)c1C[N@H+]1C[C@H]2CN(C(=O)c3ccccc3)C[C@H]2C1 ZINC001237486849 1313654613 /nfs/dbraw/zinc/65/46/13/1313654613.db2.gz UYKHHFRHXVUPHF-HDICACEKSA-N 1 0 336.435 2.905 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001237486928 1313654642 /nfs/dbraw/zinc/65/46/42/1313654642.db2.gz VNSUHKJDYKTADK-UZLBHIALSA-N 1 0 340.423 2.623 20 10 EFCDRO Cc1cccc(O)c1C[N@H+]1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001237487607 1313654657 /nfs/dbraw/zinc/65/46/57/1313654657.db2.gz CFCVFXCFHKELNS-QGZVFWFLSA-N 1 0 341.455 2.956 20 10 EFCDRO COc1ccc(N2CC[C@@H](CNC(=O)C[C@@H](C[NH3+])CC(C)C)C2)cc1 ZINC000852819481 1299900308 /nfs/dbraw/zinc/90/03/08/1299900308.db2.gz CINJKSAOOHVENZ-IRXDYDNUSA-N 1 0 347.503 2.649 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001237489064 1313654852 /nfs/dbraw/zinc/65/48/52/1313654852.db2.gz UYJQHOQUNOBKIC-XLIONFOSSA-N 1 0 340.423 2.908 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@]2(CCCN(C(=O)C(C)C)C2)C1 ZINC001237488564 1313655115 /nfs/dbraw/zinc/65/51/15/1313655115.db2.gz NWPMZJCQKWNPNN-FQEVSTJZSA-N 1 0 346.471 2.550 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CCCn2cnc(Cn3cccn3)c2C1 ZINC001237489469 1313655227 /nfs/dbraw/zinc/65/52/27/1313655227.db2.gz YCIBEDRMYALVAX-UHFFFAOYSA-N 1 0 337.427 2.548 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001237488093 1313655250 /nfs/dbraw/zinc/65/52/50/1313655250.db2.gz IXRDHJJPVUKQNN-UZLBHIALSA-N 1 0 340.423 2.623 20 10 EFCDRO COc1ccnc(O[C@@H]2CCC[N@H+](Cc3c(C)cccc3O)C2)n1 ZINC001237495546 1313655760 /nfs/dbraw/zinc/65/57/60/1313655760.db2.gz RSDIYZFOKGYHSX-CQSZACIVSA-N 1 0 329.400 2.543 20 10 EFCDRO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@H+](Cc2c(C)cccc2O)C1 ZINC001237494703 1313655789 /nfs/dbraw/zinc/65/57/89/1313655789.db2.gz KSVBXLCAFSQPDW-LSDHHAIUSA-N 1 0 343.427 2.653 20 10 EFCDRO CN1CCCc2cc(CNC(=O)c3cccc4c3CC[NH2+]C4)ccc21 ZINC000852864190 1299918635 /nfs/dbraw/zinc/91/86/35/1299918635.db2.gz ZBOSWAFJKVBREG-UHFFFAOYSA-N 1 0 335.451 2.645 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3[NH2+]CCC3(C)C)cc2)CC1 ZINC000852867363 1299921335 /nfs/dbraw/zinc/92/13/35/1299921335.db2.gz UWNQSDWECYBZNC-SFHVURJKSA-N 1 0 329.488 2.927 20 10 EFCDRO Cc1cc(CC(=O)NC[C@H]2CCC[NH2+]C2)c(C)n1-c1ccccc1 ZINC000853304293 1300081504 /nfs/dbraw/zinc/08/15/04/1300081504.db2.gz IARUUHCCATUNQN-KRWDZBQOSA-N 1 0 325.456 2.752 20 10 EFCDRO COCC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000779992871 1300175206 /nfs/dbraw/zinc/17/52/06/1300175206.db2.gz PBAKNAJJHBTPBH-GOSISDBHSA-N 1 0 330.428 2.984 20 10 EFCDRO CN(c1ccccc1)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000853584855 1300178511 /nfs/dbraw/zinc/17/85/11/1300178511.db2.gz MDOKHNYAZMCJRC-INIZCTEOSA-N 1 0 326.396 2.832 20 10 EFCDRO C[C@@]1(O)COCC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237640657 1313682351 /nfs/dbraw/zinc/68/23/51/1313682351.db2.gz DLAUQIFMGGWJCZ-IBGZPJMESA-N 1 0 331.387 2.782 20 10 EFCDRO O=C1NCC[C@@]12CC[N@@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001237641140 1313682573 /nfs/dbraw/zinc/68/25/73/1313682573.db2.gz MVCIEXMQFKJUDL-FQEVSTJZSA-N 1 0 340.398 2.910 20 10 EFCDRO COc1cc(C[NH+]2CCC3(CC(F)(F)CO3)CC2)c(O)c(OC)c1 ZINC001237669139 1313688218 /nfs/dbraw/zinc/68/82/18/1313688218.db2.gz IYANBZUXYOVFRL-UHFFFAOYSA-N 1 0 343.370 2.800 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)c(O)c(OC)c1 ZINC001237670328 1313687963 /nfs/dbraw/zinc/68/79/63/1313687963.db2.gz SRGQKIQRTYGJBF-ZUZCIYMTSA-N 1 0 349.349 2.545 20 10 EFCDRO COc1cc(C[NH+]2CCC(Oc3ccncc3)CC2)c(O)c(OC)c1 ZINC001237670168 1313688015 /nfs/dbraw/zinc/68/80/15/1313688015.db2.gz PVERPYQQBHZZDX-UHFFFAOYSA-N 1 0 344.411 2.848 20 10 EFCDRO Cc1cc(O)c(CN2CC[N@@H+](C)C(C)(C)C2)cc1Br ZINC001237680191 1313689647 /nfs/dbraw/zinc/68/96/47/1313689647.db2.gz AKZGSVNRMYIQQP-UHFFFAOYSA-N 1 0 327.266 2.989 20 10 EFCDRO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237680609 1313690040 /nfs/dbraw/zinc/69/00/40/1313690040.db2.gz KXYMPWCXPFOGCL-CYBMUJFWSA-N 1 0 337.416 2.575 20 10 EFCDRO COc1cc(C[NH+]2CCC(c3ccn(C)n3)CC2)c(O)c(OC)c1 ZINC001237679788 1313690326 /nfs/dbraw/zinc/69/03/26/1313690326.db2.gz FCHAAJXHPAQUEV-UHFFFAOYSA-N 1 0 331.416 2.523 20 10 EFCDRO COc1cc(C[N@@H+]2CCc3c(cccc3OC)C2)c(O)c(OC)c1 ZINC001237680843 1313690494 /nfs/dbraw/zinc/69/04/94/1313690494.db2.gz MLRNNTGIGGOTKH-UHFFFAOYSA-N 1 0 329.396 2.976 20 10 EFCDRO Cc1cc(O)c(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1Br ZINC001237682953 1313690779 /nfs/dbraw/zinc/69/07/79/1313690779.db2.gz VKQIXUMDFAILTQ-SWLSCSKDSA-N 1 0 339.277 2.989 20 10 EFCDRO Cc1cc(O)c(CN2CCC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1Br ZINC001237682948 1313690968 /nfs/dbraw/zinc/69/09/68/1313690968.db2.gz VKQIXUMDFAILTQ-DOMZBBRYSA-N 1 0 339.277 2.989 20 10 EFCDRO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)CCS1 ZINC001237687400 1313691324 /nfs/dbraw/zinc/69/13/24/1313691324.db2.gz AACOHMJCRTYFEV-ZDUSSCGKSA-N 1 0 329.849 2.835 20 10 EFCDRO COc1cc(CN2CC[NH+](Cc3ccccc3)CC2)c(O)c(OC)c1 ZINC001237669831 1313688284 /nfs/dbraw/zinc/68/82/84/1313688284.db2.gz PCFHCUIJEGHFAP-UHFFFAOYSA-N 1 0 342.439 2.727 20 10 EFCDRO COc1cc(C[N@H+](C)CCc2noc(C(C)C)n2)c(O)c(OC)c1 ZINC001237669795 1313688532 /nfs/dbraw/zinc/68/85/32/1313688532.db2.gz OGIRZWQCVMKXCP-UHFFFAOYSA-N 1 0 335.404 2.590 20 10 EFCDRO Cc1cc(O)c(CN2CC[NH+](C3CC3)CC2)cc1Br ZINC001237675917 1313688903 /nfs/dbraw/zinc/68/89/03/1313688903.db2.gz DFHWOISYHAPJBQ-UHFFFAOYSA-N 1 0 325.250 2.743 20 10 EFCDRO C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3cccc(F)c3[O-])C2)C1 ZINC001276537694 1313704395 /nfs/dbraw/zinc/70/43/95/1313704395.db2.gz KXZULHPELAAJKJ-FQEVSTJZSA-N 1 0 349.494 2.771 20 10 EFCDRO CN(C)c1ccc(N=Nc2ccc(NS(=O)(=O)CC[NH3+])cc2)cc1 ZINC001237798985 1313708208 /nfs/dbraw/zinc/70/82/08/1313708208.db2.gz AVBZJNVLRJCEON-UHFFFAOYSA-N 1 0 347.444 2.868 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c(O)cc1C ZINC000776766981 1300754864 /nfs/dbraw/zinc/75/48/64/1300754864.db2.gz NYBKUXSUXBMIJP-IBGZPJMESA-N 1 0 331.387 2.942 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000245824062 1300785535 /nfs/dbraw/zinc/78/55/35/1300785535.db2.gz NPKNVHLPCXBFPQ-KFWWJZLASA-N 1 0 349.475 2.881 20 10 EFCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N1CCCCC1 ZINC000089592565 1300836114 /nfs/dbraw/zinc/83/61/14/1300836114.db2.gz AMQDASATXYAURZ-IRXDYDNUSA-N 1 0 345.487 2.575 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000246013186 1300842432 /nfs/dbraw/zinc/84/24/32/1300842432.db2.gz INLORWVWLHROIH-XJIUQZFPSA-N 1 0 334.460 2.992 20 10 EFCDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000113364779 1300978653 /nfs/dbraw/zinc/97/86/53/1300978653.db2.gz UBHBQAOYHDJLMP-QGZVFWFLSA-N 1 0 332.492 2.816 20 10 EFCDRO CC[NH+](CC)C[C@H]1CN(Cc2cc(F)c(Cl)cc2O)CCO1 ZINC001237944106 1313734814 /nfs/dbraw/zinc/73/48/14/1313734814.db2.gz SISJPLBYVFWAFD-ZDUSSCGKSA-N 1 0 330.831 2.727 20 10 EFCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000776866759 1301204919 /nfs/dbraw/zinc/20/49/19/1301204919.db2.gz IVBWBNVSDXQTQY-DIOULYMOSA-N 1 0 329.824 2.517 20 10 EFCDRO CC[C@H]([NH2+][C@H]1CCOC[C@@H]1OCCOC)c1cc(Cl)ccc1O ZINC000776869734 1301209196 /nfs/dbraw/zinc/20/91/96/1301209196.db2.gz PRASPYVFAMOLBI-ZOBUZTSGSA-N 1 0 343.851 2.907 20 10 EFCDRO Cc1cc(F)cc(CN2CCn3cc(C[NH+]4CCCC4)nc3C2)c1O ZINC001238059701 1313753707 /nfs/dbraw/zinc/75/37/07/1313753707.db2.gz CQZMCGUMVDKAAY-UHFFFAOYSA-N 1 0 344.434 2.648 20 10 EFCDRO Cc1cncnc1O[C@@H]1CCC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238064709 1313754151 /nfs/dbraw/zinc/75/41/51/1313754151.db2.gz APDCAYBBFKTIQC-MRXNPFEDSA-N 1 0 331.391 2.982 20 10 EFCDRO Cc1cnc(O[C@H]2CCC[N@H+](Cc3cc(F)cc(C)c3O)C2)nc1 ZINC001238064822 1313754216 /nfs/dbraw/zinc/75/42/16/1313754216.db2.gz CMESIAADHCTMLO-INIZCTEOSA-N 1 0 331.391 2.982 20 10 EFCDRO COc1ccc(O[C@@H]2CC[N@H+](Cc3cc(F)cc(C)c3O)C2)nc1 ZINC001238064762 1313754496 /nfs/dbraw/zinc/75/44/96/1313754496.db2.gz BCFSELRSKXJBMZ-MRXNPFEDSA-N 1 0 332.375 2.897 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)c1O ZINC001238063010 1313754573 /nfs/dbraw/zinc/75/45/73/1313754573.db2.gz ZDDIKSQDNPEIDV-PBHICJAKSA-N 1 0 334.435 2.919 20 10 EFCDRO Cc1cc(O[C@H]2CCC[N@H+](Cc3cc(F)cc(C)c3O)C2)ncn1 ZINC001238066819 1313754836 /nfs/dbraw/zinc/75/48/36/1313754836.db2.gz MJBDZQOHACNALI-INIZCTEOSA-N 1 0 331.391 2.982 20 10 EFCDRO COc1cc(C)nc(O[C@@H]2CC[N@H+](Cc3cc(F)cc(C)c3O)C2)n1 ZINC001238066250 1313754905 /nfs/dbraw/zinc/75/49/05/1313754905.db2.gz KUQGOHVXMBXQFI-OAHLLOKOSA-N 1 0 347.390 2.600 20 10 EFCDRO COc1ccnc(O[C@H]2CCC[N@H+](Cc3cc(F)cc(C)c3O)C2)n1 ZINC001238067365 1313754959 /nfs/dbraw/zinc/75/49/59/1313754959.db2.gz SSOAEJCYNHCBBV-HNNXBMFYSA-N 1 0 347.390 2.682 20 10 EFCDRO COc1cc(O[C@@H]2CC[N@H+](Cc3cc(F)cc(C)c3O)C2)ccn1 ZINC001238066422 1313755078 /nfs/dbraw/zinc/75/50/78/1313755078.db2.gz MCRFCIZDPQBUPD-MRXNPFEDSA-N 1 0 332.375 2.897 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N(C)CC[NH+](C)C)ccc1C ZINC000859808941 1301585627 /nfs/dbraw/zinc/58/56/27/1301585627.db2.gz YAHMLHNWLKQLAP-UHFFFAOYSA-N 1 0 341.455 2.849 20 10 EFCDRO O=S(=O)(N[C@@H]1C[NH2+]C[C@H]1F)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238258757 1313791922 /nfs/dbraw/zinc/79/19/22/1313791922.db2.gz FYUSSLHDMASNTM-KZLHXAFESA-N 1 0 348.403 2.690 20 10 EFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000246692412 1302050065 /nfs/dbraw/zinc/05/00/65/1302050065.db2.gz ALIWOQBHOVXGCT-ZIAGYGMSSA-N 1 0 335.448 2.635 20 10 EFCDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(OC)ccc2O)C1 ZINC000777223101 1302253671 /nfs/dbraw/zinc/25/36/71/1302253671.db2.gz RRPBJMQKQFHBSO-ZIAGYGMSSA-N 1 0 336.432 2.747 20 10 EFCDRO CCOC(=O)C1(C[NH2+]Cc2c(O)cccc2Br)CCC1 ZINC000862320289 1302332804 /nfs/dbraw/zinc/33/28/04/1302332804.db2.gz HUTOHJNNXNAOAB-UHFFFAOYSA-N 1 0 342.233 2.978 20 10 EFCDRO CCOC(=O)C1(C[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000862328238 1302335436 /nfs/dbraw/zinc/33/54/36/1302335436.db2.gz MZCOMHPBTGYBJH-UHFFFAOYSA-N 1 0 328.206 2.588 20 10 EFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)[C@@H]1C ZINC000862338288 1302337257 /nfs/dbraw/zinc/33/72/57/1302337257.db2.gz OLFKCJGCFRFDDP-NXEZZACHSA-N 1 0 328.206 2.538 20 10 EFCDRO Oc1cccc(Br)c1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000862369514 1302351705 /nfs/dbraw/zinc/35/17/05/1302351705.db2.gz VMPUGVSTDXGKPR-UHFFFAOYSA-N 1 0 349.219 2.928 20 10 EFCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[C@@H]1C(=O)OC(C)(C)C ZINC000862485335 1302398790 /nfs/dbraw/zinc/39/87/90/1302398790.db2.gz KYMOXAARLDGVMR-JSGCOSHPSA-N 1 0 349.427 2.921 20 10 EFCDRO Cc1ccc(O)c(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000862758622 1302451716 /nfs/dbraw/zinc/45/17/16/1302451716.db2.gz DTWQJOAHFQRNDF-QGZVFWFLSA-N 1 0 339.439 2.624 20 10 EFCDRO Oc1ccc2ccncc2c1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000748264998 1313842549 /nfs/dbraw/zinc/84/25/49/1313842549.db2.gz JCRPGYNKEJKOBM-MRXNPFEDSA-N 1 0 328.412 2.710 20 10 EFCDRO O=C(N1CC(F)(C2CC2)C1)C12CC([NH2+]Cc3cc(F)ccc3O)(C1)C2 ZINC001278256233 1313845456 /nfs/dbraw/zinc/84/54/56/1313845456.db2.gz DOACHQBXLPDMMP-UHFFFAOYSA-N 1 0 348.393 2.504 20 10 EFCDRO CC(C)(C)NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC001278254826 1313843776 /nfs/dbraw/zinc/84/37/76/1313843776.db2.gz JHJVFQAJKBIQTE-FCLUMBPUSA-N 1 0 334.435 2.950 20 10 EFCDRO O=C([C@@H]1CC12C[NH+](Cc1cc(F)ccc1O)C2)N1CCCC12CC2 ZINC001278255061 1313844571 /nfs/dbraw/zinc/84/45/71/1313844571.db2.gz NFKZMKZQXAHQFR-HNNXBMFYSA-N 1 0 330.403 2.508 20 10 EFCDRO C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C(C)(C)C[NH+](C)C ZINC000119482715 1302633371 /nfs/dbraw/zinc/63/33/71/1302633371.db2.gz FVSZCSFUHTXJMS-INIZCTEOSA-N 1 0 344.503 2.838 20 10 EFCDRO CN(C)c1ccc(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000863646511 1302666995 /nfs/dbraw/zinc/66/69/95/1302666995.db2.gz LHNWDDRMQQAQCA-STQMWFEESA-N 1 0 333.373 2.851 20 10 EFCDRO Cc1c(C[NH+]2CC3(CCN3Cc3cn[nH]c3)C2)c2ccccc2n1C ZINC001276557092 1313861290 /nfs/dbraw/zinc/86/12/90/1313861290.db2.gz UORDMXPCCSMFPJ-UHFFFAOYSA-N 1 0 335.455 2.670 20 10 EFCDRO CCn1cc(CC[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000794561074 1302735033 /nfs/dbraw/zinc/73/50/33/1302735033.db2.gz DPSSVPBISVRQCS-MRXNPFEDSA-N 1 0 328.460 2.633 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@@]4(CCO[C@@H]4C)C3)c2c1 ZINC000794661422 1302884049 /nfs/dbraw/zinc/88/40/49/1302884049.db2.gz HLIYIRWIEFIXCC-VLIAUNLRSA-N 1 0 343.423 2.934 20 10 EFCDRO C[C@H]1C[C@H]1c1nnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000865294162 1303210376 /nfs/dbraw/zinc/21/03/76/1303210376.db2.gz IIMBFJIBELGCSH-XJKSGUPXSA-N 1 0 327.432 2.557 20 10 EFCDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cc(N2CCSCC2)n1 ZINC000865720448 1303377694 /nfs/dbraw/zinc/37/76/94/1303377694.db2.gz AGHFYACKGOYARL-UHFFFAOYSA-N 1 0 341.480 2.860 20 10 EFCDRO CN(C)c1ccc(C[NH2+]Cc2ccnc(N3CCSCC3)c2)cc1 ZINC000865720870 1303377773 /nfs/dbraw/zinc/37/77/73/1303377773.db2.gz JXXJTXUALPCVHX-UHFFFAOYSA-N 1 0 342.512 2.991 20 10 EFCDRO COc1cccc(O)c1C[NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000865793135 1303403081 /nfs/dbraw/zinc/40/30/81/1303403081.db2.gz VWUMFOIRTNTNAC-JOCQHMNTSA-N 1 0 336.432 2.794 20 10 EFCDRO O=C([C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc2c(c1)CCO2)N1CC=CC1 ZINC001278290226 1313915880 /nfs/dbraw/zinc/91/58/80/1313915880.db2.gz MSRYYROXMPYGEE-LCLWPZTBSA-N 1 0 338.451 2.524 20 10 EFCDRO [NH3+]CCNC(=S)Nc1ccccc1C(=O)c1ccc(Cl)cc1 ZINC001239344387 1313927426 /nfs/dbraw/zinc/92/74/26/1313927426.db2.gz MILYKHNOSIOJEO-UHFFFAOYSA-N 1 0 333.844 2.816 20 10 EFCDRO COC(=O)[C@H](c1cccc(OC)c1)N1CCCc2cc(C[NH3+])ccc21 ZINC000866659712 1303736527 /nfs/dbraw/zinc/73/65/27/1303736527.db2.gz SIQUOHJRLQTLPD-IBGZPJMESA-N 1 0 340.423 2.821 20 10 EFCDRO CC(C)[C@@H](CNC(=O)NCc1ccccc1O)[NH+]1CCC(C)CC1 ZINC000748461596 1313939243 /nfs/dbraw/zinc/93/92/43/1313939243.db2.gz ZVNAJEKWUCJOPK-QGZVFWFLSA-N 1 0 333.476 2.948 20 10 EFCDRO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2cnc(OC)c(N)c2)n1C ZINC001239628297 1313950203 /nfs/dbraw/zinc/95/02/03/1313950203.db2.gz FIUPFGUSGUJNFE-UHFFFAOYSA-N 1 0 340.383 2.711 20 10 EFCDRO O=C1c2ccccc2C(=O)N1CCC[NH2+]Cc1cc(Cl)ccc1O ZINC000796499947 1304199447 /nfs/dbraw/zinc/19/94/47/1304199447.db2.gz OPKAMGXPVXKDPL-UHFFFAOYSA-N 1 0 344.798 2.822 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC3(C)C)cc2F)CC1 ZINC000122207248 1304365695 /nfs/dbraw/zinc/36/56/95/1304365695.db2.gz RIEXHKGCKRKOSB-OAHLLOKOSA-N 1 0 333.451 2.630 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)cc1C ZINC001018678548 1313999799 /nfs/dbraw/zinc/99/97/99/1313999799.db2.gz BLNCWXXYVRFZBU-IMBTUZDBSA-N 1 0 328.456 2.740 20 10 EFCDRO CC[C@@H](SC)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001018726721 1314023245 /nfs/dbraw/zinc/02/32/45/1314023245.db2.gz XOJREIZTJZBAJI-DOTOQJQBSA-N 1 0 336.501 2.836 20 10 EFCDRO CN1CC=C(Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)CC1 ZINC001208857573 1314030515 /nfs/dbraw/zinc/03/05/15/1314030515.db2.gz MHTCIQOQQGKDJM-UHFFFAOYSA-N 1 0 334.375 2.799 20 10 EFCDRO Cc1ccc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)nc1 ZINC000122986732 1305192215 /nfs/dbraw/zinc/19/22/15/1305192215.db2.gz WINVTCAFOOLICA-ZROIWOOFSA-N 1 0 333.482 2.685 20 10 EFCDRO COCCOc1ccc(N2CC[NH+](C[C@H]3CCC=CO3)CC2)cc1 ZINC001208882332 1314037859 /nfs/dbraw/zinc/03/78/59/1314037859.db2.gz LJWYPIQVQGJWOK-LJQANCHMSA-N 1 0 332.444 2.527 20 10 EFCDRO CC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1CC ZINC001037975577 1305504597 /nfs/dbraw/zinc/50/45/97/1305504597.db2.gz HKZYFWJAIGMADV-DOMZBBRYSA-N 1 0 331.420 2.699 20 10 EFCDRO CC[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1[NH2+]CCF ZINC001037977335 1305518679 /nfs/dbraw/zinc/51/86/79/1305518679.db2.gz SNPFTNBWEFRSSJ-SWLSCSKDSA-N 1 0 349.410 2.649 20 10 EFCDRO CCOc1cccc(C[NH2+]Cc2ccc(C[S@](C)=O)cc2)c1O ZINC000796527154 1305898226 /nfs/dbraw/zinc/89/82/26/1305898226.db2.gz WDCGQFXFGJZDKG-QHCPKHFHSA-N 1 0 333.453 2.959 20 10 EFCDRO CCc1ocnc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000968159689 1305929515 /nfs/dbraw/zinc/92/95/15/1305929515.db2.gz VCJGKYQHVGAHQJ-OAHLLOKOSA-N 1 0 343.427 2.558 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(C[S@](C)=O)cc2)c1 ZINC000796527104 1305975522 /nfs/dbraw/zinc/97/55/22/1305975522.db2.gz VJUODZLVVCFSNE-QHCPKHFHSA-N 1 0 333.453 2.959 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)/C=C/c3ccc[nH]3)C2)cc1C ZINC000968505955 1306411568 /nfs/dbraw/zinc/41/15/68/1306411568.db2.gz JZLMRXKXXIDVPD-JHTBKMLMSA-N 1 0 339.439 2.736 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CSC)[C@H](C)C2)cc1C ZINC001044440895 1306509986 /nfs/dbraw/zinc/50/99/86/1306509986.db2.gz KZNIUMZNJLBBEX-ZBFHGGJFSA-N 1 0 336.501 2.836 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cn[nH]c3)[C@@H](C)C2)cc1C ZINC001044468921 1306536962 /nfs/dbraw/zinc/53/69/62/1306536962.db2.gz AFDKJMZEQKSCTN-YOEHRIQHSA-N 1 0 342.443 2.510 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ncc[nH]3)[C@@H](C)C2)cc1C ZINC001044589985 1306641022 /nfs/dbraw/zinc/64/10/22/1306641022.db2.gz UUFOZXLOBJMYLO-GOEBONIOSA-N 1 0 342.443 2.510 20 10 EFCDRO c1cc(N2CCOCC2)ccc1CN1CC2(C1)C[NH+](C1CCCC1)C2 ZINC001276635070 1314143189 /nfs/dbraw/zinc/14/31/89/1314143189.db2.gz AMVKNUPCVSHPBI-UHFFFAOYSA-N 1 0 341.499 2.583 20 10 EFCDRO c1nn(C2CC[NH2+]CC2)cc1-c1cc(N2CCc3ccccc32)ncn1 ZINC001241774587 1314148726 /nfs/dbraw/zinc/14/87/26/1314148726.db2.gz BEUGKMXXCOQNBN-UHFFFAOYSA-N 1 0 346.438 2.959 20 10 EFCDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c(C)n1-c1ccccn1 ZINC000748843790 1314152598 /nfs/dbraw/zinc/15/25/98/1314152598.db2.gz HOSRDDYOICRFPV-KRWDZBQOSA-N 1 0 340.471 2.949 20 10 EFCDRO C[C@H]1C[C@H]([NH2+]CC2CC2)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001044879918 1306892614 /nfs/dbraw/zinc/89/26/14/1306892614.db2.gz SYTIHKXJEUKUCK-BLLLJJGKSA-N 1 0 343.431 2.842 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCC3(F)F)C2)cc1C ZINC000969041703 1306916442 /nfs/dbraw/zinc/91/64/42/1306916442.db2.gz WFOXVMLXOSCULD-CABCVRRESA-N 1 0 338.398 2.739 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2ccc[nH]2)cc1C ZINC001044919513 1306925132 /nfs/dbraw/zinc/92/51/32/1306925132.db2.gz ONIFANQSCIKTPL-INIZCTEOSA-N 1 0 327.428 2.726 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cccn2C)cc1C ZINC001044929019 1306932527 /nfs/dbraw/zinc/93/25/27/1306932527.db2.gz MQEPICXIWRISFN-KRWDZBQOSA-N 1 0 341.455 2.737 20 10 EFCDRO CC[C@@H](OC)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001044954122 1306951940 /nfs/dbraw/zinc/95/19/40/1306951940.db2.gz BADBUFZDTIXAIC-DLBZAZTESA-N 1 0 334.460 2.509 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCCOC2)cc1C ZINC001044956395 1306954458 /nfs/dbraw/zinc/95/44/58/1306954458.db2.gz RAQIKBPYQNPDIL-MSOLQXFVSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CC2(F)F)cc1C ZINC001045026426 1307003388 /nfs/dbraw/zinc/00/33/88/1307003388.db2.gz IVUAGKFPPZGZKT-LSDHHAIUSA-N 1 0 338.398 2.739 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2cnc(N3CC[NH2+]CC3)nc2)cc1 ZINC001241897400 1314161920 /nfs/dbraw/zinc/16/19/20/1314161920.db2.gz GTLGHWZATQHRQG-UHFFFAOYSA-N 1 0 333.439 2.961 20 10 EFCDRO COc1cc(CN2CCCc3cc(O)c(O)cc3C2)cc(F)c1O ZINC001209533142 1314182154 /nfs/dbraw/zinc/18/21/54/1314182154.db2.gz XTWOEAUNNAODTK-UHFFFAOYSA-N 1 0 333.359 2.900 20 10 EFCDRO COc1cccc(O)c1C[NH2+]CCCNC(=O)/C=C\c1ccccc1 ZINC000800313013 1307690971 /nfs/dbraw/zinc/69/09/71/1307690971.db2.gz ZVYKSPKNMXSZPG-QXMHVHEDSA-N 1 0 340.423 2.710 20 10 EFCDRO C[C@@H]1CN(CC[N@H+](C)Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000800328563 1307715160 /nfs/dbraw/zinc/71/51/60/1307715160.db2.gz PCFJDYLZFOAQOX-GOSISDBHSA-N 1 0 331.504 2.829 20 10 EFCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1c2ccccc2n(C)c1C(=O)OC ZINC001276663334 1314214704 /nfs/dbraw/zinc/21/47/04/1314214704.db2.gz ASKUOZRSVOSBBJ-GOOCMWNKSA-N 1 0 341.455 2.680 20 10 EFCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC000748962479 1314215311 /nfs/dbraw/zinc/21/53/11/1314215311.db2.gz BSYCTZTXVDBPOL-CRAIPNDOSA-N 1 0 332.492 2.767 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3csc(C)n3)C2)cc1C ZINC001019280781 1314252472 /nfs/dbraw/zinc/25/24/72/1314252472.db2.gz JTTIOGUAWCWEIM-HNNXBMFYSA-N 1 0 345.468 2.773 20 10 EFCDRO COc1cc(C)cc(C[N@H+](CCNC(C)=O)Cc2ccsc2)c1O ZINC000800849660 1308544835 /nfs/dbraw/zinc/54/48/35/1308544835.db2.gz HQSASVSZWMJVLY-UHFFFAOYSA-N 1 0 348.468 2.909 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCC[N@H+](CCC3CC3)C2)cc1 ZINC001009671751 1308603393 /nfs/dbraw/zinc/60/33/93/1308603393.db2.gz JPEADZGMYOUQNZ-INIZCTEOSA-N 1 0 343.431 2.843 20 10 EFCDRO C[C@@H](F)CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009672608 1308604393 /nfs/dbraw/zinc/60/43/93/1308604393.db2.gz MIPLOQZOQNIZBU-DOMZBBRYSA-N 1 0 349.410 2.791 20 10 EFCDRO COc1cccc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c1O ZINC000800901236 1308645698 /nfs/dbraw/zinc/64/56/98/1308645698.db2.gz DLIJOZPRTKFFFH-INIZCTEOSA-N 1 0 341.411 2.797 20 10 EFCDRO COc1cc(N(C)C)ccc1CN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001210357980 1314319140 /nfs/dbraw/zinc/31/91/40/1314319140.db2.gz YQTUZDJVFOYOCP-IBGZPJMESA-N 1 0 339.483 2.778 20 10 EFCDRO CN1CCOc2cc(CN3CC[NH2+][C@@H](Cc4ccccc4)C3)ccc21 ZINC001210357978 1314319151 /nfs/dbraw/zinc/31/91/51/1314319151.db2.gz YQTMTWDLOLZTBU-IBGZPJMESA-N 1 0 337.467 2.532 20 10 EFCDRO CC[C@H](F)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046868959 1309573528 /nfs/dbraw/zinc/57/35/28/1309573528.db2.gz JITCXHLTRQGJHP-GUYCJALGSA-N 1 0 349.410 2.791 20 10 EFCDRO CCCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046869217 1309576202 /nfs/dbraw/zinc/57/62/02/1309576202.db2.gz MTHOOIJQMHLIBI-KRWDZBQOSA-N 1 0 331.420 2.843 20 10 EFCDRO CCOc1ccc(CN2CC[NH2+][C@@H](Cc3ccccc3)C2)c(O)c1 ZINC001210382115 1314324507 /nfs/dbraw/zinc/32/45/07/1314324507.db2.gz DXZJGPJXXSSHDE-SFHVURJKSA-N 1 0 326.440 2.807 20 10 EFCDRO COc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)o1 ZINC001019555014 1314383059 /nfs/dbraw/zinc/38/30/59/1314383059.db2.gz VPPRWCDSVSFJLY-HNNXBMFYSA-N 1 0 344.411 2.610 20 10 EFCDRO COc1ccc(O)c(C[NH2+]Cc2c(C)nn(-c3ccccn3)c2C)c1 ZINC000801721936 1310798716 /nfs/dbraw/zinc/79/87/16/1310798716.db2.gz WQTJEOOMSLBGQB-UHFFFAOYSA-N 1 0 338.411 2.888 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)C(F)F)C2)cc1C ZINC001047663253 1311053057 /nfs/dbraw/zinc/05/30/57/1311053057.db2.gz JQHRFNVSFFGAKA-GXTWGEPZSA-N 1 0 326.387 2.595 20 10 EFCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276826253 1311057570 /nfs/dbraw/zinc/05/75/70/1311057570.db2.gz MJWWPZHUSCFPQM-GASCZTMLSA-N 1 0 342.439 2.581 20 10 EFCDRO [O-]c1cc(F)c(Br)cc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222149014 1311091935 /nfs/dbraw/zinc/09/19/35/1311091935.db2.gz UXSYYQDUZQYWCB-OAHLLOKOSA-N 1 0 343.240 2.869 20 10 EFCDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000752151554 1311148076 /nfs/dbraw/zinc/14/80/76/1311148076.db2.gz JTJPEBIABBUAMI-SOLBZPMBSA-N 1 0 346.471 2.773 20 10 EFCDRO COc1cc(N(C)C)ccc1CN1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001222563008 1311152850 /nfs/dbraw/zinc/15/28/50/1311152850.db2.gz BUNQMRGZJIMKSS-PMACEKPBSA-N 1 0 337.467 2.832 20 10 EFCDRO CN1CCOc2cc(CN3Cc4ccccc4[C@@H]4C[NH2+]C[C@@H]43)ccc21 ZINC001222563015 1311152897 /nfs/dbraw/zinc/15/28/97/1311152897.db2.gz BXWKEQWUBDLXSW-ICSRJNTNSA-N 1 0 335.451 2.586 20 10 EFCDRO CN1CCOc2cc(CN3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)ccc21 ZINC001222602454 1311158076 /nfs/dbraw/zinc/15/80/76/1311158076.db2.gz QGCWHJQJAYFWAT-LJQANCHMSA-N 1 0 349.478 2.704 20 10 EFCDRO c1cc(N2CCCCC2)ccc1CN1CC[NH2+]C[C@]2(CCCCN2)C1 ZINC001222674698 1311171192 /nfs/dbraw/zinc/17/11/92/1311171192.db2.gz OLCHPLYHWCEFRA-OAQYLSRUSA-N 1 0 342.531 2.594 20 10 EFCDRO O=C(NC1CCC(F)CC1)C12CC([NH2+]Cc3ccc(O)c(O)c3)(C1)C2 ZINC001276915131 1311297200 /nfs/dbraw/zinc/29/72/00/1311297200.db2.gz YSELCFHONVOJEY-UHFFFAOYSA-N 1 0 348.418 2.507 20 10 EFCDRO CCOc1ccc(N2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)cc1 ZINC001276925980 1311310971 /nfs/dbraw/zinc/31/09/71/1311310971.db2.gz KXMIBJJGOQOPAD-UHFFFAOYSA-N 1 0 326.444 2.911 20 10 EFCDRO COc1ccc(N2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)cc1 ZINC001276927610 1311312911 /nfs/dbraw/zinc/31/29/11/1311312911.db2.gz USWMNFLFBMIXJS-UHFFFAOYSA-N 1 0 331.504 2.939 20 10 EFCDRO Cc1cc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)NC(C)(C)C)ccc1N(C)C ZINC001276929081 1311316324 /nfs/dbraw/zinc/31/63/24/1311316324.db2.gz JYMFFBKQTKNNCX-UZLBHIALSA-N 1 0 329.488 2.940 20 10 EFCDRO Cc1cc(C[NH+]2CCC3(CC[C@@H](C(N)=O)C3)CC2)ccc1N(C)C ZINC001276929360 1311316847 /nfs/dbraw/zinc/31/68/47/1311316847.db2.gz UXFDLVSYGMRIDI-QGZVFWFLSA-N 1 0 329.488 2.929 20 10 EFCDRO COc1ccc(C[NH2+]C23CC(C(=O)N4CCCCO4)(C2)C3)cc1C ZINC001276929333 1311316988 /nfs/dbraw/zinc/31/69/88/1311316988.db2.gz UKHSUSDUOCVAIN-UHFFFAOYSA-N 1 0 330.428 2.570 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CCCC23CC3)cc1 ZINC001276958732 1311366605 /nfs/dbraw/zinc/36/66/05/1311366605.db2.gz UTVYCDLRNOXOLS-UTKZUKDTSA-N 1 0 339.483 2.872 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CC=CC2)cc1 ZINC001276966762 1311380714 /nfs/dbraw/zinc/38/07/14/1311380714.db2.gz CTYUUDIYQWZZBD-NQIIRXRSSA-N 1 0 339.483 2.896 20 10 EFCDRO CCOC(=O)c1c[nH]c2cc(NCc3ccc(O)c(O)c3)[nH+]cc21 ZINC001158997394 1311431440 /nfs/dbraw/zinc/43/14/40/1311431440.db2.gz GKMBZFRLMXTPQC-UHFFFAOYSA-N 1 0 327.340 2.763 20 10 EFCDRO COc1ccc(N2CC[C@H]3C[N@H+](Cc4ccc[nH]4)C[C@H]32)c(OC)c1 ZINC001276994941 1311431650 /nfs/dbraw/zinc/43/16/50/1311431650.db2.gz UTVNDSCLLWVTOH-KBXCAEBGSA-N 1 0 327.428 2.743 20 10 EFCDRO CC(C)[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001048071741 1311432014 /nfs/dbraw/zinc/43/20/14/1311432014.db2.gz KSXOGNDWGOGDBK-TZMCWYRMSA-N 1 0 331.420 2.698 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CC3CC3)C[C@@H]2C)cc1C ZINC001048097334 1311453683 /nfs/dbraw/zinc/45/36/83/1311453683.db2.gz FUZLZAHXCXDRFB-MAUKXSAKSA-N 1 0 330.472 2.988 20 10 EFCDRO CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001224994116 1311460957 /nfs/dbraw/zinc/46/09/57/1311460957.db2.gz OCKMBGPZDIUJGG-CGTJXYLNSA-N 1 0 348.487 2.946 20 10 EFCDRO NC(=O)Cc1cccc(C(=O)c2ccccc2)c1NC1=C[NH2+]CCC1 ZINC001159700896 1311567925 /nfs/dbraw/zinc/56/79/25/1311567925.db2.gz VWSWLSBHPGDENJ-UHFFFAOYSA-N 1 0 335.407 2.582 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@H]2C)cc1C ZINC001048257508 1311609389 /nfs/dbraw/zinc/60/93/89/1311609389.db2.gz BHTNNLXTBFYLRE-CRAIPNDOSA-N 1 0 341.455 2.830 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)Cc2cnccc2C)cc1C ZINC001160204038 1311664273 /nfs/dbraw/zinc/66/42/73/1311664273.db2.gz PHYLEAURXWDODO-UHFFFAOYSA-N 1 0 341.455 2.546 20 10 EFCDRO Cc1cc(CN2CCCC3(C[NH+](C)C3)C2)c(O)cc1Br ZINC001277143815 1311701231 /nfs/dbraw/zinc/70/12/31/1311701231.db2.gz CDBKZQNPMMWIEG-UHFFFAOYSA-N 1 0 339.277 2.991 20 10 EFCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000902419873 1311730154 /nfs/dbraw/zinc/73/01/54/1311730154.db2.gz UMTOLAUYXVTSCY-CQSZACIVSA-N 1 0 329.396 2.939 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2nc(C)sc2C)cc1C ZINC001160771379 1311778215 /nfs/dbraw/zinc/77/82/15/1311778215.db2.gz XWJQXDAWLWOTQY-UHFFFAOYSA-N 1 0 347.484 2.987 20 10 EFCDRO Cc1cc(C)c(CNc2cccc(N3CC[NH+](C)CC3)n2)c(O)c1 ZINC001160809840 1311786180 /nfs/dbraw/zinc/78/61/80/1311786180.db2.gz BEDBXHWUWJMQRW-UHFFFAOYSA-N 1 0 326.444 2.768 20 10 EFCDRO Cc1cc(C)c(CNc2ccc(OC3CC[NH2+]CC3)nn2)c(O)c1 ZINC001160811256 1311786675 /nfs/dbraw/zinc/78/66/75/1311786675.db2.gz IIJONYDNLBFUNG-UHFFFAOYSA-N 1 0 328.416 2.542 20 10 EFCDRO NC(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001277208927 1311806713 /nfs/dbraw/zinc/80/67/13/1311806713.db2.gz AGAWOZBMMOUXTN-QUCCMNQESA-N 1 0 327.472 2.764 20 10 EFCDRO O=C(N1CC=CC1)C12CC([NH2+]Cc3ccc(N4CCCC4)cc3)(C1)C2 ZINC001277211052 1311809363 /nfs/dbraw/zinc/80/93/63/1311809363.db2.gz AKKSUDMGYSICEU-UHFFFAOYSA-N 1 0 337.467 2.698 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ncc(F)cc2F)cc1C ZINC001161084841 1311855127 /nfs/dbraw/zinc/85/51/27/1311855127.db2.gz ZFTONNYXHPQBCU-UHFFFAOYSA-N 1 0 349.381 2.587 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H](OC(C)(C)C)C[NH2+]1 ZINC001161135190 1311867374 /nfs/dbraw/zinc/86/73/74/1311867374.db2.gz VIACSQUMJSZRRI-MSOLQXFVSA-N 1 0 347.503 2.647 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)Cc2ccccc2)cc1C ZINC001161135907 1311867889 /nfs/dbraw/zinc/86/78/89/1311867889.db2.gz LDSOQOJGLXENNB-UHFFFAOYSA-N 1 0 326.440 2.842 20 10 EFCDRO C[NH+]1CCC(Oc2c(O)c(O)ccc2C(=O)c2ccccc2)CC1 ZINC001227938174 1311876716 /nfs/dbraw/zinc/87/67/16/1311876716.db2.gz SFFQVMODDPHAGG-UHFFFAOYSA-N 1 0 327.380 2.802 20 10 EFCDRO CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1ccc3c(c1)CCCN3C)C2 ZINC001277256659 1311880584 /nfs/dbraw/zinc/88/05/84/1311880584.db2.gz MTIZEIWEWJRPEE-OPVJXMOQSA-N 1 0 341.499 2.615 20 10 EFCDRO COc1ccc(C[NH2+]Cc2c(C)nn(-c3ccccn3)c2C)c(O)c1 ZINC000802651533 1311886223 /nfs/dbraw/zinc/88/62/23/1311886223.db2.gz QGWHSRULFBQQTH-UHFFFAOYSA-N 1 0 338.411 2.888 20 10 EFCDRO COc1cccc(C[N@H+](CCNC(C)=O)Cc2ccc(C)s2)c1O ZINC000802652892 1311887855 /nfs/dbraw/zinc/88/78/55/1311887855.db2.gz LZDBHCOCUIXSHU-UHFFFAOYSA-N 1 0 348.468 2.909 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)COC2CCCCC2)cc1C ZINC001161605894 1311929193 /nfs/dbraw/zinc/92/91/93/1311929193.db2.gz FJGDMJRDVLJYPS-UHFFFAOYSA-N 1 0 348.487 2.949 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCC3(C[C@@H]3C(N)=O)CC2)c(OC)c1 ZINC001277295238 1311939291 /nfs/dbraw/zinc/93/92/91/1311939291.db2.gz GHWAYHSDYMIRRR-QGZVFWFLSA-N 1 0 345.487 2.629 20 10 EFCDRO O=C1CC2(CN1)CC[NH+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000271184412 1312112077 /nfs/dbraw/zinc/11/20/77/1312112077.db2.gz MOWXKCMKJZHRSF-UHFFFAOYSA-N 1 0 327.472 2.779 20 10 EFCDRO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001277409063 1312122929 /nfs/dbraw/zinc/12/29/29/1312122929.db2.gz CGLLNZJUTUABML-OKILXGFUSA-N 1 0 338.879 2.858 20 10 EFCDRO O=C([C@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1O)C2)N1CCCCO1 ZINC001277445988 1312188812 /nfs/dbraw/zinc/18/88/12/1312188812.db2.gz KLFYSXFYWPSKPR-XLIONFOSSA-N 1 0 344.455 2.938 20 10 EFCDRO [NH3+][C@@H]1Cc2ccccc2N(c2cccc3c2NC(=O)C32CCOCC2)C1 ZINC001162855201 1312190686 /nfs/dbraw/zinc/19/06/86/1312190686.db2.gz VVJXXGMUWMDAQV-OAHLLOKOSA-N 1 0 349.434 2.708 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(NCc2nnn3c2C[NH2+]CCC3)cc1 ZINC001162972218 1312216037 /nfs/dbraw/zinc/21/60/37/1312216037.db2.gz RVHDLKFJAOJBQK-UHFFFAOYSA-N 1 0 336.443 2.791 20 10 EFCDRO COCC(C)(C)CC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001163156992 1312253105 /nfs/dbraw/zinc/25/31/05/1312253105.db2.gz FQKNTOBOIUVEPY-UHFFFAOYSA-N 1 0 336.476 2.662 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)Cc2cncc(C)c2)cc1C ZINC001163338926 1312292914 /nfs/dbraw/zinc/29/29/14/1312292914.db2.gz FNDXOIYXWXZHFH-UHFFFAOYSA-N 1 0 341.455 2.546 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)NC(C)(C)C)CC2)c1 ZINC001277464010 1312315836 /nfs/dbraw/zinc/31/58/36/1312315836.db2.gz RVQXWHZNXSQSJZ-INIZCTEOSA-N 1 0 346.471 2.918 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2C[C@@H]3OCCN(C4CCCC4)[C@H]3C2)c1O ZINC001277519663 1312499616 /nfs/dbraw/zinc/49/96/16/1312499616.db2.gz GWMCSNXYDVYHDG-ROUUACIJSA-N 1 0 334.435 2.667 20 10 EFCDRO Cc1cc(F)cc(CN2C[C@@H]3C[N@H+](C4CCCC4)C[C@H](C2)O3)c1O ZINC001277519789 1312499971 /nfs/dbraw/zinc/49/99/71/1312499971.db2.gz LCYOBNPEYKNTST-HDICACEKSA-N 1 0 334.435 2.667 20 10 EFCDRO O=C([O-])c1ccc(O)c(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001231563233 1312525833 /nfs/dbraw/zinc/52/58/33/1312525833.db2.gz GKVHJGYXNRYDNC-KRWDZBQOSA-N 1 0 332.444 2.931 20 10 EFCDRO C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231565543 1312526340 /nfs/dbraw/zinc/52/63/40/1312526340.db2.gz DVXCPFLNEZOKAM-DLBZAZTESA-N 1 0 332.444 2.929 20 10 EFCDRO COC(=O)[C@@H]1COCCC12C[NH+](Cc1c(O)ccc3ccccc31)C2 ZINC001231591240 1312528458 /nfs/dbraw/zinc/52/84/58/1312528458.db2.gz ZJWCIJQXSGIBDN-KRWDZBQOSA-N 1 0 341.407 2.557 20 10 EFCDRO COc1cc(C[NH+]2CCC(O)(c3ccccc3F)CC2)c(O)cc1O ZINC001231635467 1312535932 /nfs/dbraw/zinc/53/59/32/1312535932.db2.gz CUJOADGCZLGJNE-UHFFFAOYSA-N 1 0 347.386 2.729 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c(O)cc1O ZINC001231635126 1312536099 /nfs/dbraw/zinc/53/60/99/1312536099.db2.gz WBOFKGOTJGQCCB-BONVTDFDSA-N 1 0 349.349 2.632 20 10 EFCDRO COC(=O)c1cccc(C[N@H+](C)Cc2cc(OC)c(O)cc2O)c1 ZINC001231638428 1312537289 /nfs/dbraw/zinc/53/72/89/1312537289.db2.gz AYEUDMQGGHSNLR-UHFFFAOYSA-N 1 0 331.368 2.525 20 10 EFCDRO COc1cc(C[N@H+](C)Cc2cccc(OC)c2OC)c(O)cc1O ZINC001231638677 1312537327 /nfs/dbraw/zinc/53/73/27/1312537327.db2.gz DCMJMFKKGHHYPO-UHFFFAOYSA-N 1 0 333.384 2.756 20 10 EFCDRO COc1cc(C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)c(O)cc1O ZINC001231640194 1312537987 /nfs/dbraw/zinc/53/79/87/1312537987.db2.gz QQRKUFAWRQSYIB-UHFFFAOYSA-N 1 0 346.402 2.958 20 10 EFCDRO CC[C@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1cc(Cl)ccc1O ZINC000903291253 1312542844 /nfs/dbraw/zinc/54/28/44/1312542844.db2.gz TWEBMHVJVBPBGZ-AWEZNQCLSA-N 1 0 346.880 2.512 20 10 EFCDRO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NCC(F)F)c(O)c1 ZINC001277568284 1312568198 /nfs/dbraw/zinc/56/81/98/1312568198.db2.gz NKIIYBZHSGTNFE-XOIINTDNSA-N 1 0 338.398 2.540 20 10 EFCDRO Cc1cc(C)c(C[NH+]2CCN(c3ccc(Cl)nn3)CC2)c(O)c1 ZINC001231846113 1312573418 /nfs/dbraw/zinc/57/34/18/1312573418.db2.gz AZWJNMGZVZHHHS-UHFFFAOYSA-N 1 0 332.835 2.775 20 10 EFCDRO Cc1cc(C)c(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)c(O)c1 ZINC001231845631 1312573591 /nfs/dbraw/zinc/57/35/91/1312573591.db2.gz DUHCYRLJTXITKU-UHFFFAOYSA-N 1 0 328.412 2.950 20 10 EFCDRO COCCN1CC[N@H+](Cc2c(C)cc(C)cc2O)Cc2cccnc21 ZINC001231845292 1312573691 /nfs/dbraw/zinc/57/36/91/1312573691.db2.gz XZSZTSUHYYTNOG-UHFFFAOYSA-N 1 0 341.455 2.873 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001231849735 1312574282 /nfs/dbraw/zinc/57/42/82/1312574282.db2.gz XOEKLPMPHBBXRK-WBMJQRKESA-N 1 0 346.393 2.896 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001231852584 1312574662 /nfs/dbraw/zinc/57/46/62/1312574662.db2.gz NYONNMORKYZJCB-VQTJNVASSA-N 1 0 340.467 2.939 20 10 EFCDRO COc1cc(N(C)C)ccc1CN1CC[C@@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001231854915 1312574670 /nfs/dbraw/zinc/57/46/70/1312574670.db2.gz GCSFMDWPCNWNJI-ZWKOTPCHSA-N 1 0 335.467 2.769 20 10 EFCDRO COc1cc(N(C)C)ccc1CN1CC[C@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001231854914 1312574738 /nfs/dbraw/zinc/57/47/38/1312574738.db2.gz GCSFMDWPCNWNJI-ROUUACIJSA-N 1 0 335.467 2.769 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](Oc2nccnc2C)C1 ZINC001231854185 1312575317 /nfs/dbraw/zinc/57/53/17/1312575317.db2.gz ATJTVYGRDDXKNL-KRWDZBQOSA-N 1 0 342.443 2.513 20 10 EFCDRO CCC(=O)N(C)C1CC[NH+](Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231854630 1312575394 /nfs/dbraw/zinc/57/53/94/1312575394.db2.gz GOUNFRYTHPZBJK-UHFFFAOYSA-N 1 0 333.476 2.594 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001231855379 1312575510 /nfs/dbraw/zinc/57/55/10/1312575510.db2.gz RLGIBYFXZUYDLD-GOSISDBHSA-N 1 0 327.428 2.810 20 10 EFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(Oc2ccncn2)CC1 ZINC001231857392 1312575541 /nfs/dbraw/zinc/57/55/41/1312575541.db2.gz INUXYVHBQSJGDP-UHFFFAOYSA-N 1 0 342.443 2.595 20 10 EFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(NC(=O)C(C)(C)C)CC1 ZINC001231857427 1312575880 /nfs/dbraw/zinc/57/58/80/1312575880.db2.gz JVHNZHKGMZENNK-UHFFFAOYSA-N 1 0 347.503 2.888 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CC3CC2(C(=O)N2CCCC2)C3)cc1Cl ZINC001231866612 1312577535 /nfs/dbraw/zinc/57/75/35/1312577535.db2.gz GOWIZPFBKVXCGU-UHFFFAOYSA-N 1 0 334.847 2.941 20 10 EFCDRO CC[NH+](CC)C[C@H]1CN(Cc2cc(Cl)c(C)cc2O)CCO1 ZINC001231871212 1312578414 /nfs/dbraw/zinc/57/84/14/1312578414.db2.gz FWZNBSYYPMQFMY-HNNXBMFYSA-N 1 0 326.868 2.897 20 10 EFCDRO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)N2Cc1ccc2ccccc2c1O ZINC001231880544 1312579988 /nfs/dbraw/zinc/57/99/88/1312579988.db2.gz HNQCRIJOAUGKON-BJWYYQGGSA-N 1 0 341.407 2.698 20 10 EFCDRO CC[NH+](CC)CCCN1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC001231912481 1312587445 /nfs/dbraw/zinc/58/74/45/1312587445.db2.gz IPSNANXTZYMECS-UHFFFAOYSA-N 1 0 339.911 2.895 20 10 EFCDRO CC[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ccc(N(C)C)cc1 ZINC000903374307 1312610147 /nfs/dbraw/zinc/61/01/47/1312610147.db2.gz ICGFAECOLMAZCX-GOSISDBHSA-N 1 0 348.487 2.842 20 10 EFCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@]1(C)O ZINC001232194568 1312646106 /nfs/dbraw/zinc/64/61/06/1312646106.db2.gz JXPCRFOOITZGRZ-KDOFPFPSSA-N 1 0 338.879 2.769 20 10 EFCDRO Clc1cc(C[N@@H+]2CC[C@]3(CCOC3)C2)ccc1N1CCOCC1 ZINC001232194230 1312646138 /nfs/dbraw/zinc/64/61/38/1312646138.db2.gz FRMKNYLWLPOOAQ-SFHVURJKSA-N 1 0 336.863 2.789 20 10 EFCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@H]1O ZINC001232195192 1312646176 /nfs/dbraw/zinc/64/61/76/1312646176.db2.gz RIRPGZZGIAADPC-RDTXWAMCSA-N 1 0 338.879 2.769 20 10 EFCDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232194802 1312646272 /nfs/dbraw/zinc/64/62/72/1312646272.db2.gz MTGFWXBVLMIPBM-LSDHHAIUSA-N 1 0 337.895 2.701 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@@]1(C)O ZINC001232194567 1312646449 /nfs/dbraw/zinc/64/64/49/1312646449.db2.gz JXPCRFOOITZGRZ-KBXCAEBGSA-N 1 0 338.879 2.769 20 10 EFCDRO CC[N@H+](CCn1ccnc1)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232202387 1312648100 /nfs/dbraw/zinc/64/81/00/1312648100.db2.gz YNTCVRXIPYNISL-UHFFFAOYSA-N 1 0 348.878 2.895 20 10 EFCDRO CC(=O)C1CC[NH+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232203275 1312648569 /nfs/dbraw/zinc/64/85/69/1312648569.db2.gz RXKMJLANQDCNGT-UHFFFAOYSA-N 1 0 336.863 2.978 20 10 EFCDRO C[C@@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C[C@@]1(O)C(F)(F)F ZINC001232259010 1312660018 /nfs/dbraw/zinc/66/00/18/1312660018.db2.gz GVCKNQQOAHOWEZ-OQPBUACISA-N 1 0 339.741 2.886 20 10 EFCDRO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232259955 1312660232 /nfs/dbraw/zinc/66/02/32/1312660232.db2.gz NBUXBTUDJRDVLJ-SUMWQHHRSA-N 1 0 341.835 2.911 20 10 EFCDRO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232259418 1312660256 /nfs/dbraw/zinc/66/02/56/1312660256.db2.gz YCXKHBBBALUJPH-GFCCVEGCSA-N 1 0 340.851 2.832 20 10 EFCDRO CCN1CC[C@@]2(CCC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)C1=O ZINC001232262005 1312660620 /nfs/dbraw/zinc/66/06/20/1312660620.db2.gz XCYOFHKJSGKJJX-QGZVFWFLSA-N 1 0 338.835 2.586 20 10 EFCDRO O=C1OCCCN1C1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232262218 1312660631 /nfs/dbraw/zinc/66/06/31/1312660631.db2.gz AAIMZAGXYZPDSK-UHFFFAOYSA-N 1 0 340.807 2.558 20 10 EFCDRO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232260853 1312661265 /nfs/dbraw/zinc/66/12/65/1312661265.db2.gz RXBXHNWEVDGCHP-MWLCHTKSSA-N 1 0 339.741 2.886 20 10 EFCDRO Cc1nccnc1O[C@@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232264565 1312661954 /nfs/dbraw/zinc/66/19/54/1312661954.db2.gz JCNUKLXYHGZTBG-CYBMUJFWSA-N 1 0 349.818 2.893 20 10 EFCDRO Cc1cnc(O[C@@H]2CC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)nc1 ZINC001232266287 1312662059 /nfs/dbraw/zinc/66/20/59/1312662059.db2.gz UDIUENDIYCMSHM-GFCCVEGCSA-N 1 0 335.791 2.503 20 10 EFCDRO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)n1 ZINC001232265039 1312662273 /nfs/dbraw/zinc/66/22/73/1312662273.db2.gz NQCKJHRLSMFZAK-ZDUSSCGKSA-N 1 0 349.818 2.893 20 10 EFCDRO Cc1cnc(O[C@H]2CC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)nc1 ZINC001232266291 1312662383 /nfs/dbraw/zinc/66/23/83/1312662383.db2.gz UDIUENDIYCMSHM-LBPRGKRZSA-N 1 0 335.791 2.503 20 10 EFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2O)[C@H]1C ZINC001232269538 1312662578 /nfs/dbraw/zinc/66/25/78/1312662578.db2.gz CZFQTAZJUWQCPN-JQWIXIFHSA-N 1 0 327.808 2.828 20 10 EFCDRO CCOCC[NH+](CCOCC)Cc1cc(Cl)c(OC)cc1O ZINC001232269596 1312662655 /nfs/dbraw/zinc/66/26/55/1312662655.db2.gz GEOLUQMQMPMGBK-UHFFFAOYSA-N 1 0 331.840 2.929 20 10 EFCDRO CCO[C@@H]1C[N@H+](Cc2cc(Cl)c(OC)cc2O)[C@@H]2CCCO[C@H]12 ZINC001232267652 1312663098 /nfs/dbraw/zinc/66/30/98/1312663098.db2.gz HPCUWBQWNLJTDS-XYPHTWIQSA-N 1 0 341.835 2.823 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3cnccn3)C2)cc1Cl ZINC001232270832 1312663284 /nfs/dbraw/zinc/66/32/84/1312663284.db2.gz JRKKEHGIIGXSPL-ZDUSSCGKSA-N 1 0 349.818 2.888 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]([NH2+]C/C=C\Cl)C2)cc1 ZINC001211346398 1314481210 /nfs/dbraw/zinc/48/12/10/1314481210.db2.gz OZPZFXKFVDKKLY-GRTSXNNNSA-N 1 0 349.822 2.796 20 10 EFCDRO CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001052966679 1314525071 /nfs/dbraw/zinc/52/50/71/1314525071.db2.gz WVADHYXHRFUGFF-CQSZACIVSA-N 1 0 331.420 2.843 20 10 EFCDRO Oc1c(C[NH+]2CC3(CN(Cc4cn[nH]c4)C3)C2)ccc2ccccc21 ZINC001276373642 1314561330 /nfs/dbraw/zinc/56/13/30/1314561330.db2.gz HKJUEZNNKLJECY-UHFFFAOYSA-N 1 0 334.423 2.586 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cnccc3C)C2)cc1C ZINC001020044366 1314583824 /nfs/dbraw/zinc/58/38/24/1314583824.db2.gz HYCXIZOQOJDICT-QAQDUYKDSA-N 1 0 339.439 2.758 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cncc(F)c3)C2)cc1C ZINC001020065513 1314596816 /nfs/dbraw/zinc/59/68/16/1314596816.db2.gz DCGBDVPZRXBCAM-QAQDUYKDSA-N 1 0 343.402 2.588 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccns3)C2)cc1C ZINC001020205542 1314666731 /nfs/dbraw/zinc/66/67/31/1314666731.db2.gz GBLWKYXMYNQWOP-HDJSIYSDSA-N 1 0 331.441 2.511 20 10 EFCDRO COc1ccc2c(c1)c1c(n2C)CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246821838 1314689811 /nfs/dbraw/zinc/68/98/11/1314689811.db2.gz JSWDKYNAQVCRIU-YIONKMFJSA-N 1 0 325.456 2.828 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CC[C@H](C)OC)C[C@H]2C)cc1C ZINC001214489045 1314698675 /nfs/dbraw/zinc/69/86/75/1314698675.db2.gz XUKYOASQBHFZQO-SOLBZPMBSA-N 1 0 348.487 2.755 20 10 EFCDRO COc1ccc(N2CCN([C@H]3CC[NH2+][C@H](C(C)C)C3)CC2)c(C)c1 ZINC001246935065 1314710720 /nfs/dbraw/zinc/71/07/20/1314710720.db2.gz QGAFGACWKQJRGJ-HKUYNNGSSA-N 1 0 331.504 2.902 20 10 EFCDRO FC(F)(F)Oc1ccc(N2CCN([C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246991642 1314726411 /nfs/dbraw/zinc/72/64/11/1314726411.db2.gz BTAGVOJACBAESC-HNNXBMFYSA-N 1 0 343.393 2.849 20 10 EFCDRO c1ccc(COc2ccc(N3CCN([C@H]4CC[NH2+]C4)CC3)cc2)cc1 ZINC001246999718 1314727927 /nfs/dbraw/zinc/72/79/27/1314727927.db2.gz GHRDPJVFMJAJMT-FQEVSTJZSA-N 1 0 337.467 2.750 20 10 EFCDRO c1ccc2oc(-c3ccc(N4CCN([C@@H]5CC[NH2+]C5)CC4)cc3)nc2c1 ZINC001247001348 1314728429 /nfs/dbraw/zinc/72/84/29/1314728429.db2.gz JLJBTEUJJGVYTF-GOSISDBHSA-N 1 0 348.450 2.979 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H](O)c1cccc(F)c1 ZINC000749116145 1314753857 /nfs/dbraw/zinc/75/38/57/1314753857.db2.gz JGILBAURTYZNOS-MGPUTAFESA-N 1 0 344.430 2.874 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3C[NH2+]C[C@H](O)C3)n2)cc1 ZINC001247752898 1314834574 /nfs/dbraw/zinc/83/45/74/1314834574.db2.gz VICLZHLHEOOKOA-DOTOQJQBSA-N 1 0 338.411 2.582 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@]34C[NH2+][C@@H](CO3)C4)n2)cc1 ZINC001247948285 1314872278 /nfs/dbraw/zinc/87/22/78/1314872278.db2.gz XAKWRLGPHIQZNT-DNVCBOLYSA-N 1 0 336.395 2.732 20 10 EFCDRO COC[C@@H](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001216150228 1314918634 /nfs/dbraw/zinc/91/86/34/1314918634.db2.gz XUUZCYCKAFZAJR-YXJHDRRASA-N 1 0 348.487 2.613 20 10 EFCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)cc1Cl ZINC001248879772 1314990160 /nfs/dbraw/zinc/99/01/60/1314990160.db2.gz DBEQGABTOHSCTA-WMZOPIPTSA-N 1 0 341.879 2.908 20 10 EFCDRO C[NH+](C)Cc1ccc(-c2noc(CCc3ccc(O)c(O)c3)n2)cc1 ZINC001248984420 1315008881 /nfs/dbraw/zinc/00/88/81/1315008881.db2.gz QKRSCCPCWXXOBW-UHFFFAOYSA-N 1 0 339.395 2.995 20 10 EFCDRO Oc1ccc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)c(Cl)c1O ZINC001216953666 1315025731 /nfs/dbraw/zinc/02/57/31/1315025731.db2.gz GULBACKFCNFKMD-UHFFFAOYSA-N 1 0 344.758 2.509 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c(O)c1 ZINC001249201119 1315032809 /nfs/dbraw/zinc/03/28/09/1315032809.db2.gz GHORJVBKQCPTBD-SFHVURJKSA-N 1 0 341.407 2.761 20 10 EFCDRO COC(=O)Cc1ccc(C[N@H+](C)Cc2cccc(OC)c2)c(O)c1 ZINC001249201269 1315033285 /nfs/dbraw/zinc/03/32/85/1315033285.db2.gz MJRQTLLDECSHGS-UHFFFAOYSA-N 1 0 329.396 2.748 20 10 EFCDRO COC(=O)Cc1ccc(C[N@H+](C)CCC(=O)c2cccs2)c(O)c1 ZINC001249215255 1315033483 /nfs/dbraw/zinc/03/34/83/1315033483.db2.gz YABBDZRPQTUVSO-UHFFFAOYSA-N 1 0 347.436 2.874 20 10 EFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)c(O)c1 ZINC001249214662 1315033930 /nfs/dbraw/zinc/03/39/30/1315033930.db2.gz PLOYVSWGTCRNDG-UHFFFAOYSA-N 1 0 333.428 2.643 20 10 EFCDRO COC(=O)Cc1ccc(C[NH+]2CCC3(CCOC3(C)C)CC2)c(O)c1 ZINC001249216534 1315033960 /nfs/dbraw/zinc/03/39/60/1315033960.db2.gz CRQMCUREODIJSX-UHFFFAOYSA-N 1 0 347.455 2.889 20 10 EFCDRO COC(=O)N1CCC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249224014 1315034586 /nfs/dbraw/zinc/03/45/86/1315034586.db2.gz QXWSQGRRPHHVAD-UHFFFAOYSA-N 1 0 346.427 2.851 20 10 EFCDRO Cc1nc(C)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000038635181 1315039300 /nfs/dbraw/zinc/03/93/00/1315039300.db2.gz CAIFTJZJTBREOX-INIZCTEOSA-N 1 0 346.500 2.859 20 10 EFCDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc4c(c3O)C=CC(C)(C)O4)C[C@@H]21 ZINC001249252717 1315040085 /nfs/dbraw/zinc/04/00/85/1315040085.db2.gz RTWCJSYWPBGRSJ-QLPKVWCKSA-N 1 0 343.423 2.817 20 10 EFCDRO COc1ccc(-c2noc(C[C@@H]([NH3+])c3ccccc3O)n2)cc1F ZINC001249339586 1315055894 /nfs/dbraw/zinc/05/58/94/1315055894.db2.gz MCEJRFJROOJYEO-CYBMUJFWSA-N 1 0 329.331 2.832 20 10 EFCDRO Cn1ncc2ccc(-c3noc(C[C@@H]([NH3+])c4ccccc4O)n3)cc21 ZINC001249339596 1315056486 /nfs/dbraw/zinc/05/64/86/1315056486.db2.gz MUEKIFFVKGUJTA-CQSZACIVSA-N 1 0 335.367 2.571 20 10 EFCDRO C[NH2+][C@H]1C[C@@H](Oc2cc(C)cc3c2C(=O)c2c(O)cccc2C3=O)C1 ZINC001217957161 1315125325 /nfs/dbraw/zinc/12/53/25/1315125325.db2.gz BPVQHNQMRQWLSC-TXEJJXNPSA-N 1 0 337.375 2.605 20 10 EFCDRO O=C1c2cccc(O[C@@H]3CCCC[NH2+]C3)c2C(=O)c2cccc(O)c21 ZINC001217969613 1315126632 /nfs/dbraw/zinc/12/66/32/1315126632.db2.gz ACMIAYOSPNOKNR-GFCCVEGCSA-N 1 0 337.375 2.689 20 10 EFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CC[C@@H](F)C2)c(O)c1 ZINC001249725998 1315127825 /nfs/dbraw/zinc/12/78/25/1315127825.db2.gz VRZVRJAAVMXBDR-CQSZACIVSA-N 1 0 325.380 2.658 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@H]1CCC[NH2+]CC1 ZINC001217993674 1315130395 /nfs/dbraw/zinc/13/03/95/1315130395.db2.gz BGLSJPLACCZSGU-LBPRGKRZSA-N 1 0 337.375 2.689 20 10 EFCDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1cccc2c1C(=O)c1c(O)cccc1C2=O ZINC001218044183 1315138117 /nfs/dbraw/zinc/13/81/17/1315138117.db2.gz QPCXTDQBEHAXLU-BDJLRTHQSA-N 1 0 337.375 2.544 20 10 EFCDRO C[C@H]1C[C@H](Oc2ccc(O)c3c2C(=O)c2ccccc2C3=O)CC[NH2+]1 ZINC001218056499 1315140823 /nfs/dbraw/zinc/14/08/23/1315140823.db2.gz OMSMGASPDDEBQX-NWDGAFQWSA-N 1 0 337.375 2.687 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3CC[NH2+]C[C@@H]3F)cccc21 ZINC001218068855 1315142617 /nfs/dbraw/zinc/14/26/17/1315142617.db2.gz XXWQJISTZZHYQM-GJZGRUSLSA-N 1 0 325.339 2.541 20 10 EFCDRO Cc1cc(O[C@H]2C[C@H]3C[C@@H]2C[NH2+]3)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218143419 1315154511 /nfs/dbraw/zinc/15/45/11/1315154511.db2.gz PIURDTVYADRCRO-HSMVNMDESA-N 1 0 349.386 2.605 20 10 EFCDRO COc1c(C)c(O[C@H]2CC[NH2+]C2)cc2c1C(=O)c1ccccc1C2=O ZINC001218180784 1315160151 /nfs/dbraw/zinc/16/01/51/1315160151.db2.gz CFRRYAKIXWMGAQ-LBPRGKRZSA-N 1 0 337.375 2.520 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3C[C@H]4CC[NH2+][C@H]4C3)ccc21 ZINC001218248186 1315171478 /nfs/dbraw/zinc/17/14/78/1315171478.db2.gz DMAQYEOBNZRARQ-TVZGQMOCSA-N 1 0 333.387 2.981 20 10 EFCDRO COc1ccc2c(c1O[C@H]1CCC[NH2+]C1)C(=O)c1ccccc1C2=O ZINC001218283438 1315174443 /nfs/dbraw/zinc/17/44/43/1315174443.db2.gz IXRXSFACEUWMQU-LBPRGKRZSA-N 1 0 337.375 2.601 20 10 EFCDRO Cc1cc(CN2CCC([NH+](C)C)CC2)c(O)cc1Br ZINC001250116381 1315174508 /nfs/dbraw/zinc/17/45/08/1315174508.db2.gz CUJJBVGQQUQOQI-UHFFFAOYSA-N 1 0 327.266 2.989 20 10 EFCDRO Cc1cc(CN2CCc3c(cnn3C)C2)c(O)cc1Br ZINC001250132996 1315177372 /nfs/dbraw/zinc/17/73/72/1315177372.db2.gz GIBOIEGOTHVTCX-UHFFFAOYSA-N 1 0 336.233 2.755 20 10 EFCDRO Cc1cc(CN2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c(O)cc1Br ZINC001250132990 1315177534 /nfs/dbraw/zinc/17/75/34/1315177534.db2.gz GGNXXBZKBYNCEQ-SWLSCSKDSA-N 1 0 339.277 2.989 20 10 EFCDRO COc1ccccc1OC[C@H](C)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218357369 1315183987 /nfs/dbraw/zinc/18/39/87/1315183987.db2.gz WKIQEYRLLWHXOL-INIZCTEOSA-N 1 0 342.439 2.951 20 10 EFCDRO COc1c(C)c(O[C@H]2C[NH2+][C@H]2C)cc2c1C(=O)c1ccccc1C2=O ZINC001218384288 1315187198 /nfs/dbraw/zinc/18/71/98/1315187198.db2.gz IZVRELUVYUGIEL-ZBEGNZNMSA-N 1 0 337.375 2.518 20 10 EFCDRO COc1c(C)c(O[C@@H]2C[NH2+][C@H]2C)cc2c1C(=O)c1ccccc1C2=O ZINC001218384287 1315187338 /nfs/dbraw/zinc/18/73/38/1315187338.db2.gz IZVRELUVYUGIEL-MEDUHNTESA-N 1 0 337.375 2.518 20 10 EFCDRO CCOC(=O)[C@@H]1CCC[C@H](Oc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218390668 1315188617 /nfs/dbraw/zinc/18/86/17/1315188617.db2.gz MQCDBXNTFRWKPO-QAPCUYQASA-N 1 0 332.444 2.597 20 10 EFCDRO C[C@H]1CC[C@@H](Oc2cccc3c2C(=O)c2c(O)cccc2C3=O)C[NH2+]1 ZINC001218392727 1315188731 /nfs/dbraw/zinc/18/87/31/1315188731.db2.gz LEZVFOPTUCNWSK-NWDGAFQWSA-N 1 0 337.375 2.687 20 10 EFCDRO CCOC(=O)[C@H]1CCC[C@H](Oc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218390669 1315188804 /nfs/dbraw/zinc/18/88/04/1315188804.db2.gz MQCDBXNTFRWKPO-YJBOKZPZSA-N 1 0 332.444 2.597 20 10 EFCDRO C[C@@H]1CC[C@H](Oc2ccc(O)c3c2C(=O)c2ccccc2C3=O)C[NH2+]1 ZINC001218400748 1315189769 /nfs/dbraw/zinc/18/97/69/1315189769.db2.gz WBGZJMQBTLLYQB-NEPJUHHUSA-N 1 0 337.375 2.687 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3C[NH2+]CCC34CC4)ccc21 ZINC001218403269 1315190297 /nfs/dbraw/zinc/19/02/97/1315190297.db2.gz JFYBCMGKINHSMD-GOSISDBHSA-N 1 0 333.387 2.983 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3C[NH2+]CCC34CC4)cccc21 ZINC001218406171 1315191132 /nfs/dbraw/zinc/19/11/32/1315191132.db2.gz TVCLHVCZPJLXTK-KRWDZBQOSA-N 1 0 333.387 2.983 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@@H]1C[NH2+]CCC12CC2 ZINC001218404716 1315191410 /nfs/dbraw/zinc/19/14/10/1315191410.db2.gz LMFIEEYZBRJAMR-MRXNPFEDSA-N 1 0 349.386 2.689 20 10 EFCDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1c(O)ccc2c1C(=O)c1ccccc1C2=O ZINC001218421384 1315193182 /nfs/dbraw/zinc/19/31/82/1315193182.db2.gz WBQBNJIFQIOWTP-ZBEGNZNMSA-N 1 0 337.375 2.544 20 10 EFCDRO COC(=O)C1=C[C@@H](Oc2ccc(N)cc2)C[N@H+](Cc2ccccc2)C1 ZINC001218447883 1315196979 /nfs/dbraw/zinc/19/69/79/1315196979.db2.gz KZKDEYCTWWOIGQ-LJQANCHMSA-N 1 0 338.407 2.631 20 10 EFCDRO O=C1c2cccc(O[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]34)c2C(=O)c2cccc(O)c21 ZINC001218458417 1315199915 /nfs/dbraw/zinc/19/99/15/1315199915.db2.gz AWMOHIDQQYEQBZ-DJSGYFEHSA-N 1 0 349.386 2.544 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]34)ccc21 ZINC001218465406 1315200676 /nfs/dbraw/zinc/20/06/76/1315200676.db2.gz JFLMAPNHYGJTBB-QQGDVQBRSA-N 1 0 333.387 2.839 20 10 EFCDRO CC(C)Oc1cc(COc2ccc(N3CC[NH2+]CC3)cc2)ccn1 ZINC001218479897 1315203107 /nfs/dbraw/zinc/20/31/07/1315203107.db2.gz UMAIRVSYMUZRHT-UHFFFAOYSA-N 1 0 327.428 2.857 20 10 EFCDRO CC(C)Oc1cc(COc2ccc(N3CC[NH2+]CC3)cc2)c(F)cn1 ZINC001218491309 1315204449 /nfs/dbraw/zinc/20/44/49/1315204449.db2.gz PPYBFQVJDNWURJ-UHFFFAOYSA-N 1 0 345.418 2.997 20 10 EFCDRO Cc1cc(O[C@@H]2C[C@H]3C[NH2+][C@@H]2C3)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218491785 1315204846 /nfs/dbraw/zinc/20/48/46/1315204846.db2.gz PAEPXGUUXGOGNZ-SGIREYDYSA-N 1 0 349.386 2.605 20 10 EFCDRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001218581468 1315218111 /nfs/dbraw/zinc/21/81/11/1315218111.db2.gz KVRKTJWMLONKSC-BDGHIOPSSA-N 1 0 338.415 2.993 20 10 EFCDRO CC(C)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(O)cc2O)cc1 ZINC001250777800 1315262907 /nfs/dbraw/zinc/26/29/07/1315262907.db2.gz NVMMTHVMTKMYPN-QGZVFWFLSA-N 1 0 331.412 2.751 20 10 EFCDRO CC(C)c1ccc(OC[C@H](O)C[NH2+]Cc2cccc(O)c2O)cc1 ZINC001250782803 1315263850 /nfs/dbraw/zinc/26/38/50/1315263850.db2.gz LQDCZWMNAGDMCR-MRXNPFEDSA-N 1 0 331.412 2.751 20 10 EFCDRO Nc1ccc(Cl)c(C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)c1 ZINC001219120367 1315283296 /nfs/dbraw/zinc/28/32/96/1315283296.db2.gz VWUUTQYMXAEPIN-UHFFFAOYSA-N 1 0 330.819 2.584 20 10 EFCDRO CCc1ccc(C[N@@H+]2C[C@@H]3OCCN(C4CCCC4)[C@H]3C2)c(O)c1 ZINC001276804803 1315311757 /nfs/dbraw/zinc/31/17/57/1315311757.db2.gz KOKUJDWVAIUIRF-ICSRJNTNSA-N 1 0 330.472 2.782 20 10 EFCDRO CCc1ccc(C[NH+]2CC3(CCN3Cc3cccc(=O)[nH]3)C2)c(O)c1 ZINC001276805426 1315317815 /nfs/dbraw/zinc/31/78/15/1315317815.db2.gz WXPSNUXDAPRDRY-UHFFFAOYSA-N 1 0 339.439 2.516 20 10 EFCDRO CN(C)c1ccc(/C=C/C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)cc1 ZINC001219537740 1315321309 /nfs/dbraw/zinc/32/13/09/1315321309.db2.gz PLLDDTGZXFNWNE-VPWSRKDSSA-N 1 0 349.434 2.852 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@H]3CN(Cc4ccc[nH]4)C[C@H]32)c(O)c1 ZINC001276806959 1315334188 /nfs/dbraw/zinc/33/41/88/1315334188.db2.gz WJDDIVRILSWEMX-HNAYVOBHSA-N 1 0 341.455 2.744 20 10 EFCDRO CC(C)C[C@@](C)([NH3+])C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212758 1315385588 /nfs/dbraw/zinc/38/55/88/1315385588.db2.gz VHYKZLHMVNQEPQ-QGZVFWFLSA-N 1 0 335.835 2.974 20 10 EFCDRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212506 1315385728 /nfs/dbraw/zinc/38/57/28/1315385728.db2.gz MFEIFUDRKSWUHJ-AWEZNQCLSA-N 1 0 335.835 2.844 20 10 EFCDRO CC(C)c1ccc(C[N@@H+]2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)c(O)c1 ZINC001276814645 1315429192 /nfs/dbraw/zinc/42/91/92/1315429192.db2.gz IZOCTPZKXJRGAF-PKOBYXMFSA-N 1 0 340.471 2.945 20 10 EFCDRO Oc1ccc(C[NH2+]C[C@H](O)COc2cccc3ccccc32)cc1O ZINC001252397868 1315446123 /nfs/dbraw/zinc/44/61/23/1315446123.db2.gz CMAOJIVJECRXHJ-INIZCTEOSA-N 1 0 339.391 2.781 20 10 EFCDRO Cc1cc(C)c(CNC(=O)[C@H]2CC[C@@H](C(F)(F)F)C[NH2+]2)c(O)c1 ZINC001220826031 1315454338 /nfs/dbraw/zinc/45/43/38/1315454338.db2.gz YIHJZYLJDWXCNO-DGCLKSJQSA-N 1 0 330.350 2.556 20 10 EFCDRO Cc1cc(C)c(CNC(=O)[C@H]([NH3+])Cc2ccc3ccccc3n2)c(O)c1 ZINC001220825810 1315454485 /nfs/dbraw/zinc/45/44/85/1315454485.db2.gz SBSHEUSNFPJBPX-GOSISDBHSA-N 1 0 349.434 2.743 20 10 EFCDRO O=C(NCCCSc1nccs1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001252902337 1315527078 /nfs/dbraw/zinc/52/70/78/1315527078.db2.gz QJRZICVZXXHZFR-ZDUSSCGKSA-N 1 0 340.518 2.505 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccncc3)C[C@H]2C)cc1C ZINC001054332974 1315537946 /nfs/dbraw/zinc/53/79/46/1315537946.db2.gz KBBNDINGXATBCX-CRAIPNDOSA-N 1 0 339.439 2.649 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3cscn3)C[C@@H]2C)cc1C ZINC001054481477 1315561144 /nfs/dbraw/zinc/56/11/44/1315561144.db2.gz JULOSCKJNAUWBI-ZFWWWQNUSA-N 1 0 345.468 2.710 20 10 EFCDRO Oc1cc2c(cc1O)C[N@H+](C[C@@H](O)c1ccc(F)c(F)c1)CCC2 ZINC001253359353 1315595430 /nfs/dbraw/zinc/59/54/30/1315595430.db2.gz CHNFIVSGQFPVAI-GOSISDBHSA-N 1 0 335.350 2.858 20 10 EFCDRO CC(C)[C@@H](O)C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001253768752 1315636948 /nfs/dbraw/zinc/63/69/48/1315636948.db2.gz QFUYLTPJBVETKX-HNNXBMFYSA-N 1 0 332.366 2.724 20 10 EFCDRO CC(C)[C@H](O)C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001253768753 1315637060 /nfs/dbraw/zinc/63/70/60/1315637060.db2.gz QFUYLTPJBVETKX-OAHLLOKOSA-N 1 0 332.366 2.724 20 10 EFCDRO Cc1ccc(OC[C@H](O)C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001253831020 1315643891 /nfs/dbraw/zinc/64/38/91/1315643891.db2.gz ULUXYVQFHVDVMO-QGZVFWFLSA-N 1 0 343.423 2.594 20 10 EFCDRO CCOC(=O)N1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001254004158 1315664959 /nfs/dbraw/zinc/66/49/59/1315664959.db2.gz HCSZKJLITQCGDJ-UHFFFAOYSA-N 1 0 331.460 2.951 20 10 EFCDRO CC(C)Oc1ccccc1OC[C@H](O)C[NH2+]Cc1ccccc1O ZINC001254014550 1315665262 /nfs/dbraw/zinc/66/52/62/1315665262.db2.gz SZUZMCOSAZWUHT-MRXNPFEDSA-N 1 0 331.412 2.709 20 10 EFCDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc(O)cc3O)CC2)cc1 ZINC001254469032 1315706764 /nfs/dbraw/zinc/70/67/64/1315706764.db2.gz UPOLJHPFPCUYNT-UHFFFAOYSA-N 1 0 343.383 2.765 20 10 EFCDRO Oc1ccc([C@H](O)C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1O ZINC001254608829 1315731362 /nfs/dbraw/zinc/73/13/62/1315731362.db2.gz CKJBXJWRVDIUMX-LJQANCHMSA-N 1 0 346.402 2.529 20 10 EFCDRO CCOc1ccc(N2CCN([C@H]3CC4CC[NH+](CC4)C3)CC2)cc1 ZINC001254867757 1315753445 /nfs/dbraw/zinc/75/34/45/1315753445.db2.gz LMIMYSRTNJIBDE-IBGZPJMESA-N 1 0 329.488 2.692 20 10 EFCDRO O=C1C[C@@H]2CC([NH2+]C3CCN(Cc4ccccc4O)CC3)C[C@H]2C1 ZINC001254933901 1315760645 /nfs/dbraw/zinc/76/06/45/1315760645.db2.gz HCZNBKBPLVTKBM-HOTGVXAUSA-N 1 0 328.456 2.704 20 10 EFCDRO N[C@H](c1ccccc1O)[C@H]([NH2+][C@H]1CCSC1)c1ccccc1O ZINC001255277448 1315799533 /nfs/dbraw/zinc/79/95/33/1315799533.db2.gz RZPCESYMWKYODO-JBBXEZCESA-N 1 0 330.453 2.934 20 10 EFCDRO COc1ccc(N2CC[NH+](C3CCC(OC)CC3)CC2)c(OC)c1 ZINC001255464726 1315827546 /nfs/dbraw/zinc/82/75/46/1315827546.db2.gz NDRJPOZRTJDVOJ-UHFFFAOYSA-N 1 0 334.460 2.783 20 10 EFCDRO COCCOc1ccc(N2CC[NH+]([C@H]3CCOC(C)(C)C3)CC2)cc1 ZINC001255553148 1315839709 /nfs/dbraw/zinc/83/97/09/1315839709.db2.gz JXWUFQIWSKRNDO-SFHVURJKSA-N 1 0 348.487 2.791 20 10 EFCDRO C[C@H]([NH2+]C1CCN(C(=O)C(F)(F)F)CC1)c1ccc(N(C)C)cc1 ZINC001255976373 1315888373 /nfs/dbraw/zinc/88/83/73/1315888373.db2.gz WNEYLPMJUDGFKQ-LBPRGKRZSA-N 1 0 343.393 2.957 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@H](C)Cc3ccncc3)CC2)c(OC)c1 ZINC001256756061 1315990109 /nfs/dbraw/zinc/99/01/09/1315990109.db2.gz ZVERZGDIVYGSBT-MRXNPFEDSA-N 1 0 341.455 2.852 20 10 EFCDRO Oc1cc(O)c(CC[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)cc1O ZINC001256790430 1315992092 /nfs/dbraw/zinc/99/20/92/1315992092.db2.gz SBVYIIAJNJGFAM-KXBFYZLASA-N 1 0 329.396 2.856 20 10 EFCDRO Cc1cnccc1CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000827719548 1316012236 /nfs/dbraw/zinc/01/22/36/1316012236.db2.gz LXEJUSGDLPKCJF-UHFFFAOYSA-N 1 0 325.456 2.901 20 10 EFCDRO CN(c1ccc(CNC(=O)[C@@]2(F)CC[NH2+]C2)cc1)C1CCCCC1 ZINC000827820900 1316019871 /nfs/dbraw/zinc/01/98/71/1316019871.db2.gz GHEZCJCREYXNOP-LJQANCHMSA-N 1 0 333.451 2.773 20 10 EFCDRO CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCN(c3ccc(OC)cc3C)CC2)C1 ZINC001257067203 1316029378 /nfs/dbraw/zinc/02/93/78/1316029378.db2.gz DESHIQCWPVYCHF-DLBZAZTESA-N 1 0 346.471 2.857 20 10 EFCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCN(c3ccc(OCC)cc3)CC2)C1 ZINC001257073249 1316030697 /nfs/dbraw/zinc/03/06/97/1316030697.db2.gz YKVIAVRRPHSYHT-SJLPKXTDSA-N 1 0 346.471 2.939 20 10 EFCDRO CC(C)(C)Cc1nnc(-c2ccc(O)c(CN3CCOCC3)c2)o1 ZINC001257903463 1316101970 /nfs/dbraw/zinc/10/19/70/1316101970.db2.gz MCJQJZXVNHKESW-UHFFFAOYSA-N 1 0 331.416 2.863 20 10 EFCDRO Oc1cc(O)c(CC[NH2+]C2CCN(c3cccc(F)c3)CC2)cc1O ZINC001258412351 1316149545 /nfs/dbraw/zinc/14/95/45/1316149545.db2.gz HVFPOHMBDKIBJU-UHFFFAOYSA-N 1 0 346.402 2.744 20 10 EFCDRO Oc1cc(O)c(CC[NH2+]C2CCN(c3ccccc3)CC2)cc1O ZINC001258505536 1316158010 /nfs/dbraw/zinc/15/80/10/1316158010.db2.gz XDTSDTUEKVRWLZ-UHFFFAOYSA-N 1 0 328.412 2.605 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@@H](C)Cc3cccnc3)CC2)c(OC)c1 ZINC001258630642 1316168216 /nfs/dbraw/zinc/16/82/16/1316168216.db2.gz CGDJBIHQYXNQEH-INIZCTEOSA-N 1 0 341.455 2.852 20 10 EFCDRO C[C@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[N@@H+]1CCCF ZINC001072102269 1316357975 /nfs/dbraw/zinc/35/79/75/1316357975.db2.gz NXGTWICFYUMUOM-SWLSCSKDSA-N 1 0 349.410 2.791 20 10 EFCDRO C[C@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[N@@H+]1CC1CC1 ZINC001072103351 1316358225 /nfs/dbraw/zinc/35/82/25/1316358225.db2.gz XRJAOUSKDXQUHR-BLLLJJGKSA-N 1 0 343.431 2.842 20 10 EFCDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC001261814133 1316432186 /nfs/dbraw/zinc/43/21/86/1316432186.db2.gz QTIZEMDOIHALHC-QMTHXVAHSA-N 1 0 325.250 2.727 20 10 EFCDRO Cc1cc(C(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])c(C)n1-c1ccccn1 ZINC001263239038 1316523568 /nfs/dbraw/zinc/52/35/68/1316523568.db2.gz ZRNKOCFXIWMXSR-UZLBHIALSA-N 1 0 338.455 2.833 20 10 EFCDRO Cc1cc(C(=O)N2CCC[C@H]3CC[C@]32C[NH3+])c(C)n1-c1ccccn1 ZINC001263239035 1316523685 /nfs/dbraw/zinc/52/36/85/1316523685.db2.gz ZRNKOCFXIWMXSR-JXFKEZNVSA-N 1 0 338.455 2.833 20 10 EFCDRO CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001041850127 1316734920 /nfs/dbraw/zinc/73/49/20/1316734920.db2.gz FDJWERWZHQYRQP-SFHVURJKSA-N 1 0 343.431 2.797 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ccn(C)c2)cc1C ZINC001266136601 1317085987 /nfs/dbraw/zinc/08/59/87/1317085987.db2.gz FQHWVQFVLZMRSJ-HNNXBMFYSA-N 1 0 329.444 2.640 20 10 EFCDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1(C)C ZINC001318802839 1328704879 /nfs/dbraw/zinc/70/48/79/1328704879.db2.gz AGSVJBBYACIYLF-UYAOXDASSA-N 1 0 349.494 2.871 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC[NH+]3CC=CC3)ccc21 ZINC001318838274 1328717309 /nfs/dbraw/zinc/71/73/09/1328717309.db2.gz ALDZCEBPSDOYMQ-UHFFFAOYSA-N 1 0 341.455 2.506 20 10 EFCDRO CC(C)(C)[NH+]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC001319301972 1328838812 /nfs/dbraw/zinc/83/88/12/1328838812.db2.gz HSSVBXVZHCMCKB-UHFFFAOYSA-N 1 0 344.503 2.913 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCC[C@@H]2O)ccc1N1CCCCC1 ZINC000734844612 1321900258 /nfs/dbraw/zinc/90/02/58/1321900258.db2.gz RCUOLTLFHBCPNZ-YJBOKZPZSA-N 1 0 333.432 2.978 20 10 EFCDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2c(O)cccc2Cl)cn1 ZINC001319971991 1329046733 /nfs/dbraw/zinc/04/67/33/1329046733.db2.gz CPPVXKCPKUDDTP-DYVFJYSZSA-N 1 0 335.835 2.867 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CCCCS3)cc2F)CC1 ZINC001320044407 1329064354 /nfs/dbraw/zinc/06/43/54/1329064354.db2.gz ZWPGLOFFKLNYIE-INIZCTEOSA-N 1 0 337.508 2.953 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](CC(C)C)OC)C2)cc1C ZINC001491751334 1323861234 /nfs/dbraw/zinc/86/12/34/1323861234.db2.gz DZQMQCDWNRDGTI-PKOBYXMFSA-N 1 0 348.487 2.755 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000747960209 1324593156 /nfs/dbraw/zinc/59/31/56/1324593156.db2.gz XYZKDGPZIXXKBO-UHFFFAOYSA-N 1 0 331.420 2.770 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@@]3(C)CCCC[C@@H]3C(=O)[O-])cc2)CC1 ZINC000901825005 1324758633 /nfs/dbraw/zinc/75/86/33/1324758633.db2.gz UJEGYBDTGFXIJB-QUCCMNQESA-N 1 0 345.487 2.562 20 10 EFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC001321022686 1329332607 /nfs/dbraw/zinc/33/26/07/1329332607.db2.gz HQUAIPLPLFJUAS-CJNGLKHVSA-N 1 0 340.423 2.903 20 10 EFCDRO C[C@H]([NH2+]CCN1CCC(CO)CC1)c1ccc2ccccc2c1O ZINC001321024677 1329332373 /nfs/dbraw/zinc/33/23/73/1329332373.db2.gz UGQVTTQQBZCVMJ-HNNXBMFYSA-N 1 0 328.456 2.900 20 10 EFCDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC001321068452 1329339123 /nfs/dbraw/zinc/33/91/23/1329339123.db2.gz CQYQRGJANCJHAD-ZWKOTPCHSA-N 1 0 332.444 2.595 20 10 EFCDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001321202423 1329355887 /nfs/dbraw/zinc/35/58/87/1329355887.db2.gz LRUHGWDGDVCYPP-FQEVSTJZSA-N 1 0 349.494 2.969 20 10 EFCDRO O[C@@H](c1ncc[nH]1)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001321501407 1329391485 /nfs/dbraw/zinc/39/14/85/1329391485.db2.gz PHGZFBFLJCRESP-LJQANCHMSA-N 1 0 340.471 2.956 20 10 EFCDRO CN1CCCc2cc(CNC(=O)N[C@@H]3CCCC[C@@H]3[NH+](C)C)ccc21 ZINC001321730678 1329405433 /nfs/dbraw/zinc/40/54/33/1329405433.db2.gz MZYJEROEFOLYPB-MJGOQNOKSA-N 1 0 344.503 2.741 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001321867207 1329413912 /nfs/dbraw/zinc/41/39/12/1329413912.db2.gz OTQNJFMCLRWSRU-UHFFFAOYSA-N 1 0 332.492 2.687 20 10 EFCDRO Cc1cc(C(=O)NCC[NH+]2CC=CC2)c(C)n1-c1ccc(F)cc1 ZINC001322074766 1329426619 /nfs/dbraw/zinc/42/66/19/1329426619.db2.gz HHCBHEJWPUMVGI-UHFFFAOYSA-N 1 0 327.403 2.835 20 10 EFCDRO CS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC001322156269 1329433577 /nfs/dbraw/zinc/43/35/77/1329433577.db2.gz BXYHRDDOPLNOOS-QZTJIDSGSA-N 1 0 349.544 2.927 20 10 EFCDRO c1cc(N2CCCC2)ccc1CN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC001323285809 1329530803 /nfs/dbraw/zinc/53/08/03/1329530803.db2.gz LBJMXHWMMFMUQQ-NRFANRHFSA-N 1 0 343.515 2.974 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCCN(Cc3cc(C)on3)CC2)c1 ZINC001324743872 1329655399 /nfs/dbraw/zinc/65/53/99/1329655399.db2.gz NWSUNWJYMDTKNX-UHFFFAOYSA-N 1 0 345.443 2.795 20 10 EFCDRO C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCO1 ZINC001325301229 1329678975 /nfs/dbraw/zinc/67/89/75/1329678975.db2.gz YNTOEMGDCJBRMY-IRXDYDNUSA-N 1 0 349.494 2.872 20 10 EFCDRO CCC[C@@]1([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCOC1 ZINC001325660353 1329704411 /nfs/dbraw/zinc/70/44/11/1329704411.db2.gz PCXNSPNFTRGXLT-LJQANCHMSA-N 1 0 335.467 2.626 20 10 EFCDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001325737941 1329709442 /nfs/dbraw/zinc/70/94/42/1329709442.db2.gz NLDVDLBRAINRCJ-GOSISDBHSA-N 1 0 331.460 2.997 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[NH2+]CCCCCCC(=O)[O-])cc2)CC1 ZINC001326198469 1329738115 /nfs/dbraw/zinc/73/81/15/1329738115.db2.gz GWLHJAYMHRJFDI-UHFFFAOYSA-N 1 0 333.476 2.563 20 10 EFCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(N3CCN(C)CC3)c(F)c2)nc1 ZINC001326219121 1329739417 /nfs/dbraw/zinc/73/94/17/1329739417.db2.gz LGSUWLAIUADVMO-UHFFFAOYSA-N 1 0 342.462 2.913 20 10 EFCDRO O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2c(c1)C[NH2+]CC2 ZINC001326323989 1329747141 /nfs/dbraw/zinc/74/71/41/1329747141.db2.gz RVNWHQSHYXVTQC-UHFFFAOYSA-N 1 0 336.435 2.847 20 10 EFCDRO CC[N@H+](CCSC)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326612755 1330327983 /nfs/dbraw/zinc/32/79/83/1330327983.db2.gz VUVVZUSIFZJECD-UHFFFAOYSA-N 1 0 325.497 2.762 20 10 EFCDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC001328579096 1330605201 /nfs/dbraw/zinc/60/52/01/1330605201.db2.gz XNJYQGGKWOWPFY-OAHLLOKOSA-N 1 0 344.484 2.530 20 10 EFCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)cc1F ZINC001329053472 1330661477 /nfs/dbraw/zinc/66/14/77/1330661477.db2.gz PIEQFIZWWPTEFN-LBPRGKRZSA-N 1 0 337.414 2.521 20 10 EFCDRO CN1CCN(c2ccc(C[NH+]3CCC(C(C)(C)O)CC3)cc2F)CC1 ZINC001331083861 1330793240 /nfs/dbraw/zinc/79/32/40/1330793240.db2.gz SDYLMOYZYPQUFH-UHFFFAOYSA-N 1 0 349.494 2.560 20 10 EFCDRO C[NH2+][C@@H](C)CCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001331457382 1330839136 /nfs/dbraw/zinc/83/91/36/1330839136.db2.gz VTVKPLBCOIZBIG-INIZCTEOSA-N 1 0 332.492 2.720 20 10 EFCDRO CCC[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)OCC ZINC001331519434 1330847167 /nfs/dbraw/zinc/84/71/67/1330847167.db2.gz JPOPLGOHKDXGEG-KRWDZBQOSA-N 1 0 337.483 2.872 20 10 EFCDRO CCCN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CC[N@H+](C)C1 ZINC001332086602 1330915853 /nfs/dbraw/zinc/91/58/53/1330915853.db2.gz BPSMXFHNPWRIPU-IBGZPJMESA-N 1 0 342.487 2.689 20 10 EFCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cnc1F ZINC001333658238 1331189360 /nfs/dbraw/zinc/18/93/60/1331189360.db2.gz OPBAOMVXPVLGRF-UHFFFAOYSA-N 1 0 347.409 2.919 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CC=CCC2)[NH+](C)C)cc1 ZINC001334186911 1331262799 /nfs/dbraw/zinc/26/27/99/1331262799.db2.gz KBYKBNMBXFZAPM-SJLPKXTDSA-N 1 0 330.476 2.763 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CC=CCC2)[NH+](C)C)cc1 ZINC001334186905 1331263197 /nfs/dbraw/zinc/26/31/97/1331263197.db2.gz KBYKBNMBXFZAPM-AEFFLSMTSA-N 1 0 330.476 2.763 20 10 EFCDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c(O)c1OC ZINC001334268637 1331275091 /nfs/dbraw/zinc/27/50/91/1331275091.db2.gz ALOREUMRBWLUGS-OAHLLOKOSA-N 1 0 331.416 2.870 20 10 EFCDRO Nc1ccc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC001334774026 1331305327 /nfs/dbraw/zinc/30/53/27/1331305327.db2.gz CJPBVUZAGRVGBA-KRWDZBQOSA-N 1 0 328.391 2.804 20 10 EFCDRO Nc1ccc(C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC001334774816 1331305543 /nfs/dbraw/zinc/30/55/43/1331305543.db2.gz OYYDQWMNVRAXKF-UHFFFAOYSA-N 1 0 336.439 2.508 20 10 EFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC001334814090 1331311706 /nfs/dbraw/zinc/31/17/06/1331311706.db2.gz SNLDQABUCGFOJE-HUUCEWRRSA-N 1 0 347.455 2.887 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](CC[NH3+])C2)cc1F ZINC001335474903 1331354899 /nfs/dbraw/zinc/35/48/99/1331354899.db2.gz AHCLMCBEDHASSD-CQSZACIVSA-N 1 0 336.455 2.552 20 10 EFCDRO C[C@H]1CCCN(C(=O)NCCCSc2nccs2)[C@@H]1CC[NH3+] ZINC001335538787 1331369992 /nfs/dbraw/zinc/36/99/92/1331369992.db2.gz CBFIEMQUAXCMQU-QWHCGFSZSA-N 1 0 342.534 2.784 20 10 EFCDRO C[C@@H]1CCCN(C(=O)NCCCSc2nccs2)[C@@H]1CC[NH3+] ZINC001335538782 1331369540 /nfs/dbraw/zinc/36/95/40/1331369540.db2.gz CBFIEMQUAXCMQU-CHWSQXEVSA-N 1 0 342.534 2.784 20 10 EFCDRO CC[C@@H](F)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001335855977 1331410803 /nfs/dbraw/zinc/41/08/03/1331410803.db2.gz QBEBJVKTMPMVTE-ZIAGYGMSSA-N 1 0 328.815 2.874 20 10 EFCDRO Nc1ccc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC001335911880 1331415966 /nfs/dbraw/zinc/41/59/66/1331415966.db2.gz RPZHPLLMCBNPST-KRWDZBQOSA-N 1 0 342.443 2.888 20 10 EFCDRO CCc1ccc([C@@H](CNC(=O)NCc2ccc(N)cc2)[NH+](C)C)cc1 ZINC001335912641 1331416311 /nfs/dbraw/zinc/41/63/11/1331416311.db2.gz WPMGFLAXNFLWCZ-LJQANCHMSA-N 1 0 340.471 2.933 20 10 EFCDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(N)cc1)c1ccc(F)cc1 ZINC001335952072 1331419987 /nfs/dbraw/zinc/41/99/87/1331419987.db2.gz RNQSHDDODWTIBL-KRWDZBQOSA-N 1 0 330.407 2.510 20 10 EFCDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(N)cc3)CC2)c(C)o1 ZINC001336116622 1331436779 /nfs/dbraw/zinc/43/67/79/1331436779.db2.gz HSOITAONHYOQFJ-UHFFFAOYSA-N 1 0 327.428 2.873 20 10 EFCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3ncccc3F)SC2=S)CC1 ZINC001336359750 1331463771 /nfs/dbraw/zinc/46/37/71/1331463771.db2.gz BKEXSDNQDVJKBD-LCYFTJDESA-N 1 0 337.445 2.516 20 10 EFCDRO COCC1(C)CC[NH+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001337430458 1331573583 /nfs/dbraw/zinc/57/35/83/1331573583.db2.gz NQNIJLMUASABAU-UHFFFAOYSA-N 1 0 349.494 2.826 20 10 EFCDRO C[C@@H]([NH2+]CCN1C(=O)COc2ccccc21)c1cc(F)ccc1O ZINC001337796459 1331599734 /nfs/dbraw/zinc/59/97/34/1331599734.db2.gz UUGWIHJEUOBJFX-GFCCVEGCSA-N 1 0 330.359 2.608 20 10 EFCDRO COc1cc(CN2CC[NH+](Cc3ccc(N)cc3)CC2)cc(OC)c1 ZINC001337837562 1331603417 /nfs/dbraw/zinc/60/34/17/1331603417.db2.gz CJPIVMHJVXIZOZ-UHFFFAOYSA-N 1 0 341.455 2.604 20 10 EFCDRO C[C@H]1[C@H](NC(=O)NCc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001338608290 1331719402 /nfs/dbraw/zinc/71/94/02/1331719402.db2.gz PKZLKJGPMAXYDZ-HNAYVOBHSA-N 1 0 338.455 2.731 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001338697073 1331726557 /nfs/dbraw/zinc/72/65/57/1331726557.db2.gz XOFRZVIEMYQBBV-UYAOXDASSA-N 1 0 344.503 2.816 20 10 EFCDRO Cn1c(C2SC=CC2=O)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001338750209 1331733129 /nfs/dbraw/zinc/73/31/29/1331733129.db2.gz KTEPZVORGXCYFH-UHFFFAOYSA-N 1 0 335.477 2.560 20 10 EFCDRO CN(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001338886810 1331753206 /nfs/dbraw/zinc/75/32/06/1331753206.db2.gz IFPWJNFUOUPAIA-IEBWSBKVSA-N 1 0 335.467 2.625 20 10 EFCDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cc(C)c1O ZINC001338953642 1331761479 /nfs/dbraw/zinc/76/14/79/1331761479.db2.gz SOGYZVAZWJQHSB-STQMWFEESA-N 1 0 342.233 2.894 20 10 EFCDRO CC(C)CNC(=O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001339599998 1331908251 /nfs/dbraw/zinc/90/82/51/1331908251.db2.gz QSMMSTLZEFMGGC-UHFFFAOYSA-N 1 0 331.382 2.633 20 10 EFCDRO C[C@H](NC(=O)COc1ccc(CCC[NH3+])cc1)c1ccccc1O ZINC001340796635 1332206244 /nfs/dbraw/zinc/20/62/44/1332206244.db2.gz OSGYCZQASDSHKG-AWEZNQCLSA-N 1 0 328.412 2.540 20 10 EFCDRO Cc1cc(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC001341159215 1332239394 /nfs/dbraw/zinc/23/93/94/1332239394.db2.gz SDHOWFRRFNQQTJ-JKSUJKDBSA-N 1 0 341.430 2.915 20 10 EFCDRO CCOc1ccc(N2CC[NH+](CCC(=O)NC3CCCC3)CC2)cc1 ZINC001341378137 1332255600 /nfs/dbraw/zinc/25/56/00/1332255600.db2.gz XJMJDXQZMRYCDP-UHFFFAOYSA-N 1 0 345.487 2.656 20 10 EFCDRO Fc1cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)ccc1N1CCOCC1 ZINC001341567790 1332268864 /nfs/dbraw/zinc/26/88/64/1332268864.db2.gz LFPNVVKWFDXLQF-QFBILLFUSA-N 1 0 334.435 2.663 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)cc2N)[NH+](C)C)cc1 ZINC001341999822 1332293030 /nfs/dbraw/zinc/29/30/30/1332293030.db2.gz QWGFZMGIGRHTLI-GOSISDBHSA-N 1 0 344.434 2.507 20 10 EFCDRO C[C@H](CCCCC(=O)[O-])[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001343648123 1332365971 /nfs/dbraw/zinc/36/59/71/1332365971.db2.gz LQLILXJAKAIZJR-MRXNPFEDSA-N 1 0 333.476 2.562 20 10 EFCDRO FC(F)(F)[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)n1cncn1 ZINC001348550807 1332847465 /nfs/dbraw/zinc/84/74/65/1332847465.db2.gz WGZJGRRNWGOEHQ-OAHLLOKOSA-N 1 0 339.365 2.772 20 10 EFCDRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCOc4cc(N(C)C)ccc43)C[N@@H+]2C1 ZINC001349147750 1332911501 /nfs/dbraw/zinc/91/15/01/1332911501.db2.gz QENQQLGRMDIGAL-VYDXJSESSA-N 1 0 343.471 2.598 20 10 EFCDRO C[C@@H]1C[C@H]2CC[C@H](C(=O)N3CCOc4cc(N(C)C)ccc43)C[N@@H+]2C1 ZINC001349147748 1332911935 /nfs/dbraw/zinc/91/19/35/1332911935.db2.gz QENQQLGRMDIGAL-HLLBOEOZSA-N 1 0 343.471 2.598 20 10 EFCDRO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(C)Cc3ccc(N(C)C)cc3)C[N@@H+]2C1 ZINC001350841944 1333140016 /nfs/dbraw/zinc/14/00/16/1333140016.db2.gz KHPWJFBCALISQN-SZVBFZGTSA-N 1 0 329.488 2.831 20 10 EFCDRO Cc1cc(C(=O)CN(C[C@H](C)O)C2CC2)c(C)n1-c1ccc(F)cn1 ZINC000847106358 1333326306 /nfs/dbraw/zinc/32/63/06/1333326306.db2.gz QDIQJPAYZRCNHR-ZDUSSCGKSA-N 1 0 345.418 2.656 20 10 EFCDRO COc1ccc(C[N@H+](CCCO)Cc2ccccc2)c(O)c1OC ZINC001351950859 1333330738 /nfs/dbraw/zinc/33/07/38/1333330738.db2.gz UNUKFCSXOKFWHZ-UHFFFAOYSA-N 1 0 331.412 2.794 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000847276601 1333470995 /nfs/dbraw/zinc/47/09/95/1333470995.db2.gz LQCRAGZSZSBOGU-ZWKOTPCHSA-N 1 0 330.476 2.569 20 10 EFCDRO CN(C)c1ccc(CNC(=O)c2ccc(CC[NH+](C)C)cc2)cc1 ZINC000847296641 1333499175 /nfs/dbraw/zinc/49/91/75/1333499175.db2.gz MSKJJQNOYJIOOQ-UHFFFAOYSA-N 1 0 325.456 2.787 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)/C=C\C3CC3)C2)cc1C ZINC001100218641 1333913237 /nfs/dbraw/zinc/91/32/37/1333913237.db2.gz DMXSPGFBMUFYKJ-VURMDHGXSA-N 1 0 328.456 2.954 20 10 EFCDRO CCO/C=C/C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000847590970 1333962176 /nfs/dbraw/zinc/96/21/76/1333962176.db2.gz LTEWOCRVTSRUCV-LOWQCSRCSA-N 1 0 338.835 2.676 20 10 EFCDRO Nc1ccc(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC001353266900 1334055467 /nfs/dbraw/zinc/05/54/67/1334055467.db2.gz PAXAMYOEZKDZNU-UHFFFAOYSA-N 1 0 338.455 2.864 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)c2conc2C(C)(C)[NH3+])cc1F ZINC000848413725 1334712515 /nfs/dbraw/zinc/71/25/15/1334712515.db2.gz JGJHSAFBSNPRGT-UHFFFAOYSA-N 1 0 348.422 2.784 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc1F ZINC000848414137 1334712558 /nfs/dbraw/zinc/71/25/58/1334712558.db2.gz LVICTQDXBNTYFO-BEFAXECRSA-N 1 0 333.451 2.678 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000848427828 1334717687 /nfs/dbraw/zinc/71/76/87/1334717687.db2.gz QSEOYVYZRQPLRP-ICSRJNTNSA-N 1 0 329.488 2.879 20 10 EFCDRO CC(=O)OC[C@@H](C)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001355255126 1334725439 /nfs/dbraw/zinc/72/54/39/1334725439.db2.gz UNXINNJODYUFEL-WBMJQRKESA-N 1 0 340.851 2.551 20 10 EFCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3CCCn4ccnc43)cc2)CC1 ZINC000848526590 1334775583 /nfs/dbraw/zinc/77/55/83/1334775583.db2.gz BRCHDSVIDJAHIQ-LJQANCHMSA-N 1 0 340.471 2.717 20 10 EFCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCC[C@H]2O)c1O ZINC000848552895 1334790896 /nfs/dbraw/zinc/79/08/96/1334790896.db2.gz PMUVBEBDGCRBOL-GGZOMVNGSA-N 1 0 330.222 2.727 20 10 EFCDRO CN1CCC(CCO)([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000848557870 1334794271 /nfs/dbraw/zinc/79/42/71/1334794271.db2.gz MPIRVVCRRZWXQC-UHFFFAOYSA-N 1 0 331.504 2.613 20 10 EFCDRO CCOc1cccc(C[NH2+][C@@H]2CCc3ccccc3NC2=O)c1O ZINC000848561070 1334795083 /nfs/dbraw/zinc/79/50/83/1334795083.db2.gz PJEJUNKSRPBMJC-MRXNPFEDSA-N 1 0 326.396 2.834 20 10 EFCDRO CCc1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1O ZINC000848888833 1334962766 /nfs/dbraw/zinc/96/27/66/1334962766.db2.gz ZSVSGORAWOFWDW-HNNXBMFYSA-N 1 0 342.399 2.944 20 10 EFCDRO CCc1cccc(CNc2cc(C(N)=O)ccc2C[NH+](C)C)c1O ZINC000848891561 1334965735 /nfs/dbraw/zinc/96/57/35/1334965735.db2.gz SJZBZFFIWYHSFV-UHFFFAOYSA-N 1 0 327.428 2.727 20 10 EFCDRO CCc1cccc(C[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c1O ZINC000848893239 1334966903 /nfs/dbraw/zinc/96/69/03/1334966903.db2.gz ABMISBJJYMXPET-UHFFFAOYSA-N 1 0 334.441 2.616 20 10 EFCDRO CCc1cccc(C[NH2+]C[C@@H](O)c2cc(OC)cc(OC)c2)c1O ZINC000848896708 1334968195 /nfs/dbraw/zinc/96/81/95/1334968195.db2.gz HPSFONFEVRULAR-GOSISDBHSA-N 1 0 331.412 2.795 20 10 EFCDRO CCc1cccc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)c1O ZINC000848895086 1334968201 /nfs/dbraw/zinc/96/82/01/1334968201.db2.gz PCHXZDDMQDJZNT-ZDUSSCGKSA-N 1 0 348.468 2.714 20 10 EFCDRO CCc1cccc(C[NH2+]C[C@H](CO)Cc2ccc(OC)c(O)c2)c1O ZINC000848911889 1334981299 /nfs/dbraw/zinc/98/12/99/1334981299.db2.gz KHLLWBIXRNCQON-OAHLLOKOSA-N 1 0 345.439 2.610 20 10 EFCDRO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2cccc(CC)c2O)c1 ZINC000848917561 1334984763 /nfs/dbraw/zinc/98/47/63/1334984763.db2.gz VXULFJGKPFHYEZ-UHFFFAOYSA-N 1 0 348.468 2.543 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@H](CC(=O)OC(C)C)C(C)C)cc1OC ZINC000848926901 1334992495 /nfs/dbraw/zinc/99/24/95/1334992495.db2.gz HNZKGHUTAJDKDK-CQSZACIVSA-N 1 0 339.432 2.865 20 10 EFCDRO Nc1ccc(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001356571314 1335054553 /nfs/dbraw/zinc/05/45/53/1335054553.db2.gz QSBJMMWJVOKAJG-LJQANCHMSA-N 1 0 338.455 2.733 20 10 EFCDRO COc1cccc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c1O ZINC000849073599 1335069616 /nfs/dbraw/zinc/06/96/16/1335069616.db2.gz OUIRWFKQTCJUJH-UHFFFAOYSA-N 1 0 343.383 2.699 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3ccccc3)C2)cc1C ZINC000969113272 712905616 /nfs/dbraw/zinc/90/56/16/712905616.db2.gz WOJGGUAAQDTCLK-LJQANCHMSA-N 1 0 338.451 2.937 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000160162394 712907773 /nfs/dbraw/zinc/90/77/73/712907773.db2.gz WXOPJPMCCRUMIY-SFHVURJKSA-N 1 0 332.492 2.543 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@]3(C)CCO[C@@H]3C)C2)cc1C ZINC001020427187 712978833 /nfs/dbraw/zinc/97/88/33/712978833.db2.gz CVHDPXXLNQJFTN-OYRIPWCXSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[C@@H](F)C3)C2)cc1C ZINC001020518090 713100342 /nfs/dbraw/zinc/10/03/42/713100342.db2.gz ZDIWKILQUSKLHR-YVSFHVDLSA-N 1 0 334.435 2.879 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[C@@H](F)C3)C2)cc1C ZINC001020518089 713100488 /nfs/dbraw/zinc/10/04/88/713100488.db2.gz ZDIWKILQUSKLHR-QBPKDAKJSA-N 1 0 334.435 2.879 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCO[C@@H](C)C3)C2)cc1C ZINC001020831276 713412583 /nfs/dbraw/zinc/41/25/83/713412583.db2.gz LXDDUBCPNIYAOH-DKIMLUQUSA-N 1 0 346.471 2.556 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cccc(F)c3)cc2)CC1 ZINC000049740623 713446699 /nfs/dbraw/zinc/44/66/99/713446699.db2.gz HGDYQTBVBXFSIC-UHFFFAOYSA-N 1 0 327.403 2.508 20 10 EFCDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000160283035 713491465 /nfs/dbraw/zinc/49/14/65/713491465.db2.gz KPKWCXHHLFSHNM-INIZCTEOSA-N 1 0 335.469 2.752 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC([NH2+]C3CCC3)CC2)cc1F ZINC000892486660 717935997 /nfs/dbraw/zinc/93/59/97/717935997.db2.gz XXTSXEWDLQAHTD-UHFFFAOYSA-N 1 0 348.466 2.708 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3C3CC3)cc2F)CC1 ZINC000177202494 717940480 /nfs/dbraw/zinc/94/04/80/717940480.db2.gz MJIHIVTXNRSUBN-IAGOWNOFSA-N 1 0 345.462 2.630 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3C3CC3)cc2F)CC1 ZINC000177202507 717940739 /nfs/dbraw/zinc/94/07/39/717940739.db2.gz MJIHIVTXNRSUBN-SJORKVTESA-N 1 0 345.462 2.630 20 10 EFCDRO CC1CC(C[NH2+][C@@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC000970838254 714064902 /nfs/dbraw/zinc/06/49/02/714064902.db2.gz VAUMFJWMGUXBRZ-SEEARECTSA-N 1 0 343.431 2.699 20 10 EFCDRO CC(C)c1nocc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245418 714132583 /nfs/dbraw/zinc/13/25/83/714132583.db2.gz DTSHBJXVYDRJPV-KRWDZBQOSA-N 1 0 344.459 2.897 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)[NH+](C)C)cc1 ZINC000891246672 714133988 /nfs/dbraw/zinc/13/39/88/714133988.db2.gz DTBZQJXJNGDKMP-NEPXVJNWSA-N 1 0 329.488 2.908 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2conc2C2CC2)[NH+](C)C)cc1 ZINC000891247139 714134715 /nfs/dbraw/zinc/13/47/15/714134715.db2.gz FSCKNCXOMBVLIX-QGZVFWFLSA-N 1 0 342.443 2.651 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)C(F)F)[NH+](C)C)cc1 ZINC000891247153 714134829 /nfs/dbraw/zinc/13/48/29/714134829.db2.gz FZCVLQXVSBJEDT-CQSZACIVSA-N 1 0 327.419 2.763 20 10 EFCDRO CCc1cncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891247899 714134892 /nfs/dbraw/zinc/13/48/92/714134892.db2.gz ISXWOJHEWMKXMB-LJQANCHMSA-N 1 0 340.471 2.743 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)C2(C)CCC(=O)CC2)[NH+](C)C)cc1 ZINC000891247354 714135392 /nfs/dbraw/zinc/13/53/92/714135392.db2.gz JCDFWOVWKSDPGD-SFHVURJKSA-N 1 0 345.487 2.621 20 10 EFCDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247838 714136417 /nfs/dbraw/zinc/13/64/17/714136417.db2.gz VOZRYDQCURQLKJ-IJCKYZCQSA-N 1 0 347.503 2.531 20 10 EFCDRO CCc1c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)ccn1C ZINC000891247809 714136625 /nfs/dbraw/zinc/13/66/25/714136625.db2.gz KOVSCGCSKGEFCX-LJQANCHMSA-N 1 0 342.487 2.686 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCC(F)(F)C2)[NH+](C)C)cc1 ZINC000891249778 714139168 /nfs/dbraw/zinc/13/91/68/714139168.db2.gz WPVJFVJACLZZPO-HOCLYGCPSA-N 1 0 339.430 2.907 20 10 EFCDRO COC1CCC(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000891249791 714139259 /nfs/dbraw/zinc/13/92/59/714139259.db2.gz WRHHGSQUMVNADZ-NKELODKYSA-N 1 0 347.503 2.677 20 10 EFCDRO CC[C@H](C)[C@H](OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248809 714139619 /nfs/dbraw/zinc/13/96/19/714139619.db2.gz OETSXAMWXHYNEO-WBAXXEDZSA-N 1 0 335.492 2.533 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2occ3c2CCC3)[NH+](C)C)cc1 ZINC000891250264 714142062 /nfs/dbraw/zinc/14/20/62/714142062.db2.gz WEFCYSYZRCTDDM-GOSISDBHSA-N 1 0 341.455 2.867 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc3occc3[nH]2)[NH+](C)C)cc1 ZINC000891253410 714147493 /nfs/dbraw/zinc/14/74/93/714147493.db2.gz SHMMRRVMEVIDOV-QGZVFWFLSA-N 1 0 340.427 2.860 20 10 EFCDRO CCc1noc(C)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255438 714151858 /nfs/dbraw/zinc/15/18/58/714151858.db2.gz PFSUZBHEYWPYSE-KRWDZBQOSA-N 1 0 344.459 2.644 20 10 EFCDRO C[C@@H](F)CC[NH+]1CC([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970954248 714177306 /nfs/dbraw/zinc/17/73/06/714177306.db2.gz MGEVUBTYPWZEFA-NEPJUHHUSA-N 1 0 349.410 2.647 20 10 EFCDRO CC(C)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970954633 714179728 /nfs/dbraw/zinc/17/97/28/714179728.db2.gz PDCPKQKFGVVGQO-GFCCVEGCSA-N 1 0 331.420 2.555 20 10 EFCDRO C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1C[NH+](CCC2CC2)C1 ZINC000970955657 714180680 /nfs/dbraw/zinc/18/06/80/714180680.db2.gz XQLRHOASNQHSSZ-LBPRGKRZSA-N 1 0 343.431 2.699 20 10 EFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cc[nH]c1 ZINC000134263850 714286081 /nfs/dbraw/zinc/28/60/81/714286081.db2.gz QFKBSZDIBYZOMR-OAHLLOKOSA-N 1 0 333.819 2.768 20 10 EFCDRO CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001021740035 714403837 /nfs/dbraw/zinc/40/38/37/714403837.db2.gz QKEGQRRLOHPLEV-HOCLYGCPSA-N 1 0 343.431 2.795 20 10 EFCDRO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(Cn3ccnn3)CC2)c1 ZINC000157036855 714506027 /nfs/dbraw/zinc/50/60/27/714506027.db2.gz GVYJZFRUSJFNSV-UHFFFAOYSA-N 1 0 344.459 2.899 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3occc3C)C2)cc1C ZINC001021840703 714553117 /nfs/dbraw/zinc/55/31/17/714553117.db2.gz RKAHFHBBPDLTHG-IYBDPMFKSA-N 1 0 328.412 2.956 20 10 EFCDRO CCc1ocnc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001021919167 714598422 /nfs/dbraw/zinc/59/84/22/714598422.db2.gz QMBFXZGIPGDJKI-GASCZTMLSA-N 1 0 343.427 2.605 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCO[C@@H]3C)C2)cc1C ZINC001022018443 714653262 /nfs/dbraw/zinc/65/32/62/714653262.db2.gz WBFGCMWRNOMUMH-BGTYHANMSA-N 1 0 346.471 2.556 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000247345949 714699378 /nfs/dbraw/zinc/69/93/78/714699378.db2.gz GJHKYBCBUIYFAD-PKOBYXMFSA-N 1 0 329.488 2.976 20 10 EFCDRO CC[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)O1 ZINC001022155177 714839050 /nfs/dbraw/zinc/83/90/50/714839050.db2.gz HOUKARLOIQBTDA-SFNKJDCFSA-N 1 0 346.471 2.698 20 10 EFCDRO CN(C)c1ccc(CNC(=O)N2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000891606783 714851253 /nfs/dbraw/zinc/85/12/53/714851253.db2.gz LEYFWIFDNNWCAE-UHFFFAOYSA-N 1 0 330.476 2.569 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3onc(C)c3C)C2)cc1C ZINC001022255296 714925628 /nfs/dbraw/zinc/92/56/28/714925628.db2.gz ZUKCOODZUARBRI-IYBDPMFKSA-N 1 0 343.427 2.659 20 10 EFCDRO COc1ccc(C[NH2+]CCCN2CCc3ccccc32)c(O)c1OC ZINC000892506134 718018850 /nfs/dbraw/zinc/01/88/50/718018850.db2.gz VGPDWJMTHJJATD-UHFFFAOYSA-N 1 0 342.439 2.952 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC(C2CC2)C2CC2)[NH+](C)C)cc1 ZINC000891723909 714977810 /nfs/dbraw/zinc/97/78/10/714977810.db2.gz SRZKXEXCLKPPHI-GOSISDBHSA-N 1 0 344.503 2.843 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[C@H]3OC)C2)cc1C ZINC001022315206 715003614 /nfs/dbraw/zinc/00/36/14/715003614.db2.gz QKPKVBALPOJGHW-MJQMVNBJSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[C@H](OC)C3)C2)cc1C ZINC001022328600 715013301 /nfs/dbraw/zinc/01/33/01/715013301.db2.gz RXBVPIMLWLVHEH-BDXSIMOUSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc2c(c1)C[N@@H+](Cc1ccc(OC)c(OC)c1O)CC2 ZINC000891808504 715032285 /nfs/dbraw/zinc/03/22/85/715032285.db2.gz FPQFFQAZJGMYLW-UHFFFAOYSA-N 1 0 329.396 2.976 20 10 EFCDRO COc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)cc(OC)n1 ZINC001022368285 715045349 /nfs/dbraw/zinc/04/53/49/715045349.db2.gz STZBLOBVMSNMQR-IYBDPMFKSA-N 1 0 347.459 2.530 20 10 EFCDRO CC1CCN(c2ccc(C[NH2+]C3CCS(=O)(=O)CC3)cc2)CC1 ZINC000291037782 715082438 /nfs/dbraw/zinc/08/24/38/715082438.db2.gz ANVBQFGUNVXBMA-UHFFFAOYSA-N 1 0 336.501 2.590 20 10 EFCDRO CC1(C)CC[N@H+](CCNC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000892003791 715217055 /nfs/dbraw/zinc/21/70/55/715217055.db2.gz DZDVRGMFVYNJOY-UHFFFAOYSA-N 1 0 344.503 2.818 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[C@H](F)C3)C2)cc1C ZINC001022609887 715251402 /nfs/dbraw/zinc/25/14/02/715251402.db2.gz ZDIWKILQUSKLHR-TWMKSMIVSA-N 1 0 334.435 2.879 20 10 EFCDRO C[C@@H](NC(=O)NC[C@H]1[NH2+]CCc2ccccc21)c1ccccc1O ZINC000892118724 715262035 /nfs/dbraw/zinc/26/20/35/715262035.db2.gz HQQNUSDPDDVXFA-CXAGYDPISA-N 1 0 325.412 2.639 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000892133145 715267992 /nfs/dbraw/zinc/26/79/92/715267992.db2.gz IXTAQUITEOFMKQ-SFHVURJKSA-N 1 0 332.492 2.768 20 10 EFCDRO CCC[N@H+](Cc1ccc(N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000161115412 715279679 /nfs/dbraw/zinc/27/96/79/715279679.db2.gz SURYLPRKADMDOB-SFHVURJKSA-N 1 0 338.517 2.932 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)C(C)(F)F)C2)cc1C ZINC000980296785 718042877 /nfs/dbraw/zinc/04/28/77/718042877.db2.gz JHJXFMNNRMMQJJ-HIFRSBDPSA-N 1 0 340.414 2.985 20 10 EFCDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c(O)c1OC ZINC000892223234 715373301 /nfs/dbraw/zinc/37/33/01/715373301.db2.gz HBNJZTHBTGOVAQ-UKRRQHHQSA-N 1 0 331.416 2.689 20 10 EFCDRO O=C(c1ccccn1)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000026634113 715465866 /nfs/dbraw/zinc/46/58/66/715465866.db2.gz SWXCTYFOAMQVOQ-UHFFFAOYSA-N 1 0 347.418 2.898 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3nc(C)oc3C)C2)cc1C ZINC001022884688 715871814 /nfs/dbraw/zinc/87/18/14/715871814.db2.gz OXBRPJXGDAQKBH-IYBDPMFKSA-N 1 0 343.427 2.659 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCO[C@H](C)C3)C2)cc1C ZINC001022897617 715908584 /nfs/dbraw/zinc/90/85/84/715908584.db2.gz LXDDUBCPNIYAOH-DDBAPUKQSA-N 1 0 346.471 2.556 20 10 EFCDRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000104328959 716032437 /nfs/dbraw/zinc/03/24/37/716032437.db2.gz GZGKYDSCJGPDGV-LPHOPBHVSA-N 1 0 345.487 2.575 20 10 EFCDRO C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000161582601 716051520 /nfs/dbraw/zinc/05/15/20/716051520.db2.gz SFYCCFAEDQBVQQ-XKGZKEIXSA-N 1 0 329.488 2.801 20 10 EFCDRO CCc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)no1 ZINC001022992523 716061670 /nfs/dbraw/zinc/06/16/70/716061670.db2.gz DMVOPDCZEJPBGM-GASCZTMLSA-N 1 0 343.427 2.605 20 10 EFCDRO CN(C)c1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)cc1F ZINC000161597617 716063891 /nfs/dbraw/zinc/06/38/91/716063891.db2.gz HLJKPSJBDSTWRC-UHFFFAOYSA-N 1 0 329.419 2.883 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)C=C(C)C)CCO2)cc1C ZINC000979191591 716789034 /nfs/dbraw/zinc/78/90/34/716789034.db2.gz YNBZVLDJJXMKJE-LPHOPBHVSA-N 1 0 346.471 2.675 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CN(C(=O)C3(C)CC3)CCO2)cc1C ZINC000979296140 716901472 /nfs/dbraw/zinc/90/14/72/716901472.db2.gz LSDIRUNHESNEJT-CRAIPNDOSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)C3(C)CC3)CCO2)cc1C ZINC000979296151 716901497 /nfs/dbraw/zinc/90/14/97/716901497.db2.gz LSDIRUNHESNEJT-QAPCUYQASA-N 1 0 346.471 2.509 20 10 EFCDRO CCOc1cccc(CNc2ccc(N3CC[NH+](C)CC3)nc2)c1O ZINC000162880334 716921234 /nfs/dbraw/zinc/92/12/34/716921234.db2.gz TYOSSPTVIGZMQF-UHFFFAOYSA-N 1 0 342.443 2.550 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)c3ccon3)C2)cc1C ZINC001023867796 717100013 /nfs/dbraw/zinc/10/00/13/717100013.db2.gz CKWGWOMCZYMMLY-INIZCTEOSA-N 1 0 343.427 2.634 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000125867809 717470465 /nfs/dbraw/zinc/47/04/65/717470465.db2.gz VVXLIELDJBQJRV-KRWDZBQOSA-N 1 0 327.428 2.837 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000840933034 717474272 /nfs/dbraw/zinc/47/42/72/717474272.db2.gz WYLITCOYILEKGM-UHFFFAOYSA-N 1 0 331.504 2.796 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)cc2=O ZINC000162967105 717676761 /nfs/dbraw/zinc/67/67/61/717676761.db2.gz DVJWLMKIMHOLJT-TYNCELHUSA-N 1 0 346.431 2.526 20 10 EFCDRO Cc1ccc(O)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000179534941 717777776 /nfs/dbraw/zinc/77/77/76/717777776.db2.gz OEZUXSGZTDCLIZ-UHFFFAOYSA-N 1 0 327.384 2.931 20 10 EFCDRO C[C@H]1C[C@@H](C[NH2+]CC2CC2)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000980816480 717796889 /nfs/dbraw/zinc/79/68/89/717796889.db2.gz DZWJVDGWZZJPOG-JSGCOSHPSA-N 1 0 343.431 2.699 20 10 EFCDRO CC(C)[NH2+]C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980817901 717799503 /nfs/dbraw/zinc/79/95/03/717799503.db2.gz JDTROYFPBIYICC-OLZOCXBDSA-N 1 0 331.420 2.698 20 10 EFCDRO COc1c(O)ccc(C[NH2+]Cc2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC000892475460 717830610 /nfs/dbraw/zinc/83/06/10/717830610.db2.gz IEZMRZPQPXGZET-UHFFFAOYSA-N 1 0 331.372 2.665 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)c2cnco2)cc1C ZINC001025033643 718286000 /nfs/dbraw/zinc/28/60/00/718286000.db2.gz OETNZQIHCMGIES-MRXNPFEDSA-N 1 0 343.427 2.776 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 ZINC000180219397 718305739 /nfs/dbraw/zinc/30/57/39/718305739.db2.gz KLAXVCMRMBOXIE-CQSZACIVSA-N 1 0 345.393 2.926 20 10 EFCDRO Cn1ncc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1C1CC1 ZINC000892621558 718349748 /nfs/dbraw/zinc/34/97/48/718349748.db2.gz KZKLYPKPKSYPHF-UHFFFAOYSA-N 1 0 344.434 2.563 20 10 EFCDRO COCCOc1ccccc1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892660300 718389898 /nfs/dbraw/zinc/38/98/98/718389898.db2.gz QHIUXHRTSXLLIP-UHFFFAOYSA-N 1 0 347.411 2.724 20 10 EFCDRO CN(C)c1ccc(CNC(=O)CC[C@@H]([NH3+])c2ccccc2)cc1F ZINC000166457735 718625248 /nfs/dbraw/zinc/62/52/48/718625248.db2.gz LHPSLYWLDLMFNB-QGZVFWFLSA-N 1 0 329.419 2.988 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000169103086 718838965 /nfs/dbraw/zinc/83/89/65/718838965.db2.gz YJWGSUGECIDYQX-UHFFFAOYSA-N 1 0 340.471 2.717 20 10 EFCDRO CCCC[N@H+](CCO)Cc1cc(Br)cc(OC)c1O ZINC000305732736 724542100 /nfs/dbraw/zinc/54/21/00/724542100.db2.gz NWIVKUYYURUHTQ-UHFFFAOYSA-N 1 0 332.238 2.758 20 10 EFCDRO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000840891450 718941790 /nfs/dbraw/zinc/94/17/90/718941790.db2.gz TYNYETPDQZHSKS-UWVGGRQHSA-N 1 0 329.238 2.718 20 10 EFCDRO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000305797955 724549133 /nfs/dbraw/zinc/54/91/33/724549133.db2.gz CVYAZWAXJDDYJM-AWEZNQCLSA-N 1 0 328.460 2.778 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3ccoc3)[C@H]2C)cc1C ZINC000986181402 724563550 /nfs/dbraw/zinc/56/35/50/724563550.db2.gz RSXQAVKFRHTLQP-MAUKXSAKSA-N 1 0 342.439 2.918 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3ccoc3)[C@H]2C)cc1C ZINC000986181419 724563696 /nfs/dbraw/zinc/56/36/96/724563696.db2.gz RSXQAVKFRHTLQP-YJBOKZPZSA-N 1 0 342.439 2.918 20 10 EFCDRO CCn1cc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)c(C)n1 ZINC000892813488 719205169 /nfs/dbraw/zinc/20/51/69/719205169.db2.gz RPZDSKMGPHSVJE-UHFFFAOYSA-N 1 0 328.460 2.979 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2COc3c(cccc3OC)C2)c(O)c1OC ZINC000892874121 719250027 /nfs/dbraw/zinc/25/00/27/719250027.db2.gz IMBFPAJUKGCORF-CQSZACIVSA-N 1 0 345.395 2.511 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3coc(C)n3)[C@H]2C)cc1C ZINC000986201098 724577459 /nfs/dbraw/zinc/57/74/59/724577459.db2.gz LLACSFVMROUPGY-BBRMVZONSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1cccc(O[C@H](C)C[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000893080928 719592570 /nfs/dbraw/zinc/59/25/70/719592570.db2.gz VECQFDGVKORLFF-CYBMUJFWSA-N 1 0 347.411 2.975 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)C(F)F)C[C@H]32)cc1C ZINC001026160912 719825965 /nfs/dbraw/zinc/82/59/65/719825965.db2.gz ITTHIQUXBXAVEG-RRFJBIMHSA-N 1 0 338.398 2.595 20 10 EFCDRO CCc1nn(C)cc1C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000179826301 719855349 /nfs/dbraw/zinc/85/53/49/719855349.db2.gz HWHARQFSMCQKAC-UHFFFAOYSA-N 1 0 328.460 2.703 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)CSC)C[C@@H]32)cc1C ZINC001026189710 719882926 /nfs/dbraw/zinc/88/29/26/719882926.db2.gz WVSMTNRDAVHWOJ-YESZJQIVSA-N 1 0 348.512 2.693 20 10 EFCDRO Cc1ccc(CC(=O)N2CC[NH+](Cc3cccc(C)c3O)CC2)cc1 ZINC000180010629 719884186 /nfs/dbraw/zinc/88/41/86/719884186.db2.gz VDWAHZAWFBFPLZ-UHFFFAOYSA-N 1 0 338.451 2.896 20 10 EFCDRO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1cccs1 ZINC000180596000 719953059 /nfs/dbraw/zinc/95/30/59/719953059.db2.gz BLSWDYJULYCGPE-CFNZNRNTSA-N 1 0 332.425 2.592 20 10 EFCDRO CC[NH+](CC)[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccco1 ZINC000180714747 719965996 /nfs/dbraw/zinc/96/59/96/719965996.db2.gz FVMPKXWFPBBXKU-TUPIDYKKSA-N 1 0 344.411 2.903 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000180987341 719994891 /nfs/dbraw/zinc/99/48/91/719994891.db2.gz AFXANHJHXZQVMB-VQHVLOKHSA-N 1 0 344.455 2.836 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c1O ZINC000840980406 720037820 /nfs/dbraw/zinc/03/78/20/720037820.db2.gz ZCYFWXFEBKOTQV-MNOVXSKESA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c1O ZINC000840980407 720037834 /nfs/dbraw/zinc/03/78/34/720037834.db2.gz ZCYFWXFEBKOTQV-QWRGUYRKSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(O)c1OC ZINC000893208741 720050873 /nfs/dbraw/zinc/05/08/73/720050873.db2.gz GKKGZBVPSRRVLB-FSPWUOQZSA-N 1 0 333.428 2.847 20 10 EFCDRO CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893213842 720064477 /nfs/dbraw/zinc/06/44/77/720064477.db2.gz JCTHZZMFRASDPP-UHFFFAOYSA-N 1 0 333.432 2.558 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000182404849 720125480 /nfs/dbraw/zinc/12/54/80/720125480.db2.gz MOPHIXKKACHZOO-PIGZYNQJSA-N 1 0 332.356 2.693 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c1O ZINC000893925846 720164363 /nfs/dbraw/zinc/16/43/63/720164363.db2.gz SBWBDRHSENPFLJ-MRXNPFEDSA-N 1 0 344.411 2.583 20 10 EFCDRO [O-]c1c(F)cc(F)cc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000893984922 720204720 /nfs/dbraw/zinc/20/47/20/720204720.db2.gz VEPOKKFGBOTKSK-UHFFFAOYSA-N 1 0 340.414 2.605 20 10 EFCDRO CC[C@H](C)c1nnc([C@H](C)NCc2ccc(OC)c(OC)c2O)[nH]1 ZINC000894010960 720212096 /nfs/dbraw/zinc/21/20/96/720212096.db2.gz YSXJHAABBTVXOH-QWRGUYRKSA-N 1 0 334.420 2.892 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1OC ZINC000893249193 720248140 /nfs/dbraw/zinc/24/81/40/720248140.db2.gz SDOIPNJTOSHOAR-FNODVLLQSA-N 1 0 349.452 2.998 20 10 EFCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000894049038 720248488 /nfs/dbraw/zinc/24/84/88/720248488.db2.gz CUOGOKTYDWSEFR-NSHDSACASA-N 1 0 346.196 2.821 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCC2CC2)cc1 ZINC001028339975 720394629 /nfs/dbraw/zinc/39/46/29/720394629.db2.gz GXMAQJXEEVGCHL-MRXNPFEDSA-N 1 0 343.431 2.843 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1c1ccc(O)cc1 ZINC000296033641 720403799 /nfs/dbraw/zinc/40/37/99/720403799.db2.gz NODPLNUCNWJPCA-DLBZAZTESA-N 1 0 345.370 2.626 20 10 EFCDRO CC[C@@H](F)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028344862 720530505 /nfs/dbraw/zinc/53/05/05/720530505.db2.gz QCQJAPAQBOKXRU-UKRRQHHQSA-N 1 0 349.410 2.791 20 10 EFCDRO C[C@H](F)CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028345327 720531450 /nfs/dbraw/zinc/53/14/50/720531450.db2.gz ZVTHYDQZVDSDFP-WFASDCNBSA-N 1 0 349.410 2.791 20 10 EFCDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000188405361 720553246 /nfs/dbraw/zinc/55/32/46/720553246.db2.gz AZJQDURJIPNPFX-ZDUSSCGKSA-N 1 0 328.412 2.957 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](c2cccs2)N(C)C)c(O)c1OC ZINC000893322221 720614985 /nfs/dbraw/zinc/61/49/85/720614985.db2.gz OUKSTZUOUSREFB-ZDUSSCGKSA-N 1 0 336.457 2.863 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000162525995 720630890 /nfs/dbraw/zinc/63/08/90/720630890.db2.gz FCRUJCCIXUOFGI-ZDUSSCGKSA-N 1 0 341.249 2.645 20 10 EFCDRO COc1ccc(OC)c([C@H](O)C[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894153630 720944474 /nfs/dbraw/zinc/94/44/74/720944474.db2.gz ZSODWEQOBNARPF-MRXNPFEDSA-N 1 0 347.411 2.550 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000894160266 720978370 /nfs/dbraw/zinc/97/83/70/720978370.db2.gz KVLAVGYQWCVEPW-GASCZTMLSA-N 1 0 336.476 2.687 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C3CC=CC3)C2)cc1C ZINC001026745681 721025455 /nfs/dbraw/zinc/02/54/55/721025455.db2.gz HECGQRRELFDGPW-KRWDZBQOSA-N 1 0 328.456 2.908 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3ocnc3C)C2)cc1C ZINC001026756481 721044362 /nfs/dbraw/zinc/04/43/62/721044362.db2.gz KNANZRUXFXZTCM-MRXNPFEDSA-N 1 0 343.427 2.552 20 10 EFCDRO Cc1cc(C(=O)N[C@](C)(C[NH3+])CC(C)C)c(C)n1-c1ccccn1 ZINC000236700656 721080137 /nfs/dbraw/zinc/08/01/37/721080137.db2.gz IWZGGJDKWWWVQR-IBGZPJMESA-N 1 0 328.460 2.982 20 10 EFCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000067247971 721084141 /nfs/dbraw/zinc/08/41/41/721084141.db2.gz PMVXJILMRZHOIU-AWEZNQCLSA-N 1 0 347.484 2.512 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3ccn(C)c3)C2)cc1C ZINC001026778843 721090290 /nfs/dbraw/zinc/09/02/90/721090290.db2.gz DSLFACBKUTXOPT-QGZVFWFLSA-N 1 0 341.455 2.594 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)c1O ZINC000894169955 721102659 /nfs/dbraw/zinc/10/26/59/721102659.db2.gz LMJCENDWIFYICM-UHFFFAOYSA-N 1 0 344.411 2.697 20 10 EFCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1O ZINC000894200457 721194958 /nfs/dbraw/zinc/19/49/58/721194958.db2.gz MKVITKYJRWTPOL-UHFFFAOYSA-N 1 0 342.439 2.836 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@H]2COc3c(cccc3OC)C2)c1 ZINC000237093102 721231078 /nfs/dbraw/zinc/23/10/78/721231078.db2.gz LNSDQYJOHSAEIB-OAHLLOKOSA-N 1 0 329.396 2.893 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1O ZINC000894210557 721243713 /nfs/dbraw/zinc/24/37/13/721243713.db2.gz DMSZTXPYVGNZTO-UHFFFAOYSA-N 1 0 332.366 2.826 20 10 EFCDRO C[NH+](C)CCCOc1ccc(NC(=O)Cc2ccc(N)cc2)cc1 ZINC000237108417 721269066 /nfs/dbraw/zinc/26/90/66/721269066.db2.gz QSGQKZRZBBETEW-UHFFFAOYSA-N 1 0 327.428 2.781 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CC3(CO2)CCN(C(C)=O)CC3)cc1C ZINC000982868825 721382060 /nfs/dbraw/zinc/38/20/60/721382060.db2.gz RZBREDNPVFSNAI-SFHVURJKSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)cc1C ZINC001027012348 721501929 /nfs/dbraw/zinc/50/19/29/721501929.db2.gz MLKQRTNUHFCNGA-INDMIFKZSA-N 1 0 342.483 2.988 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc(F)c[nH]3)[C@@H]2C)cc1C ZINC000986584305 724775407 /nfs/dbraw/zinc/77/54/07/724775407.db2.gz FQPNXVTWRUOJCF-CZUORRHYSA-N 1 0 345.418 2.864 20 10 EFCDRO COc1ccc(CN(C)Cc2cnc(C(C)C)nc2)c(O)c1OC ZINC000894252071 721749380 /nfs/dbraw/zinc/74/93/80/721749380.db2.gz UKFVHGSEJIDHDR-UHFFFAOYSA-N 1 0 331.416 2.955 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCCNC(=O)c2cccc(F)c2)c1O ZINC000894259335 721774413 /nfs/dbraw/zinc/77/44/13/721774413.db2.gz BFMMHENRPFXLSF-UHFFFAOYSA-N 1 0 346.402 2.758 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCCNC(=O)c2ccc(F)cc2)c1O ZINC000894261606 721781038 /nfs/dbraw/zinc/78/10/38/721781038.db2.gz WLQNIZQGZYTUET-UHFFFAOYSA-N 1 0 346.402 2.758 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3ncoc3C)C2)cc1C ZINC000983273615 721959605 /nfs/dbraw/zinc/95/96/05/721959605.db2.gz XUDFIPLJRCAAAE-WKILWMFISA-N 1 0 343.427 2.598 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1O ZINC000894305108 722029271 /nfs/dbraw/zinc/02/92/71/722029271.db2.gz WSIIFWOBQUYYTM-PBHICJAKSA-N 1 0 340.423 2.993 20 10 EFCDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000894325782 722096141 /nfs/dbraw/zinc/09/61/41/722096141.db2.gz YCEOXKCBNQJLCU-KIMHZCHSSA-N 1 0 325.474 2.879 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c1O ZINC000894333224 722112311 /nfs/dbraw/zinc/11/23/11/722112311.db2.gz VLTWTHBWBXXTPG-INIZCTEOSA-N 1 0 332.444 2.590 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)c1O ZINC000894358396 722608273 /nfs/dbraw/zinc/60/82/73/722608273.db2.gz DVWSDKHYEINLCZ-UHFFFAOYSA-N 1 0 334.460 2.884 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)c1O ZINC000894369699 722630330 /nfs/dbraw/zinc/63/03/30/722630330.db2.gz BKPISNXQFWOGAG-UHFFFAOYSA-N 1 0 336.432 2.666 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC[N@H+](CCC3CC3)C2)cc1 ZINC001029013534 722638123 /nfs/dbraw/zinc/63/81/23/722638123.db2.gz CBNAXYDJWHDYJX-CQSZACIVSA-N 1 0 343.431 2.701 20 10 EFCDRO CC[C@@H](F)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013968 722639030 /nfs/dbraw/zinc/63/90/30/722639030.db2.gz MSUBJIFGWIKGFW-GXTWGEPZSA-N 1 0 349.410 2.649 20 10 EFCDRO CC[C@H](F)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013969 722639064 /nfs/dbraw/zinc/63/90/64/722639064.db2.gz MSUBJIFGWIKGFW-JSGCOSHPSA-N 1 0 349.410 2.649 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C2CCN(C(=O)[C@@H](C)OC)CC2)cc1C ZINC001029061167 722709770 /nfs/dbraw/zinc/70/97/70/722709770.db2.gz QXJJOTVBHHCPIP-HZPDHXFCSA-N 1 0 348.487 2.755 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccc(C)cc2)c(O)c1OC ZINC000894411016 722717511 /nfs/dbraw/zinc/71/75/11/722717511.db2.gz BMMSYIHQIYKWAN-GUYCJALGSA-N 1 0 331.412 2.930 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(O)c1OC ZINC000894419866 722731519 /nfs/dbraw/zinc/73/15/19/722731519.db2.gz VPLGZIPVPKYWQE-OAHLLOKOSA-N 1 0 349.349 2.689 20 10 EFCDRO COc1ccc(C[N@H+](C)CCCN(C)Cc2ccco2)c(O)c1OC ZINC000894434437 722736510 /nfs/dbraw/zinc/73/65/10/722736510.db2.gz ATSOEXLGTSHCMP-UHFFFAOYSA-N 1 0 348.443 2.956 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c(O)c1OC ZINC000894722270 722831828 /nfs/dbraw/zinc/83/18/28/722831828.db2.gz AMCVDJFIYWEBRP-GOEBONIOSA-N 1 0 325.449 2.788 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c(O)c1OC ZINC000894738442 722833655 /nfs/dbraw/zinc/83/36/55/722833655.db2.gz PDCYBMGVMWIDDM-DOTOQJQBSA-N 1 0 344.411 2.814 20 10 EFCDRO Oc1ccc(Br)cc1C[NH2+]CCO[C@@H]1CCCCO1 ZINC000894798313 722850083 /nfs/dbraw/zinc/85/00/83/722850083.db2.gz BCHVFJPSERBMHR-CQSZACIVSA-N 1 0 330.222 2.788 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)c(O)c1OC ZINC000894892694 723009827 /nfs/dbraw/zinc/00/98/27/723009827.db2.gz BTPDVPBIULVOAH-QAPCUYQASA-N 1 0 329.396 2.811 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cn(C)nc3C3CC3)C2)cc1 ZINC000895005271 723046668 /nfs/dbraw/zinc/04/66/68/723046668.db2.gz CWCZAZDKTSJJER-HNNXBMFYSA-N 1 0 340.471 2.922 20 10 EFCDRO Cc1nnc([C@@H]2CC[N@H+](Cc3ccc(Br)cc3O)C2)[nH]1 ZINC000895013096 723050206 /nfs/dbraw/zinc/05/02/06/723050206.db2.gz XYUZMJVHSKSERW-LLVKDONJSA-N 1 0 337.221 2.571 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnn(C)c3C3CC3)C2)cc1 ZINC000895007068 723051689 /nfs/dbraw/zinc/05/16/89/723051689.db2.gz XKCBRTYSVDIVFV-HNNXBMFYSA-N 1 0 340.471 2.922 20 10 EFCDRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCc2ccccc2O)cc1 ZINC000896015759 723096938 /nfs/dbraw/zinc/09/69/38/723096938.db2.gz SJNXSSYFLCYOQG-GOSISDBHSA-N 1 0 328.412 2.756 20 10 EFCDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000067382634 723139214 /nfs/dbraw/zinc/13/92/14/723139214.db2.gz LJIIPOHGPBWVCC-CQSZACIVSA-N 1 0 334.460 2.743 20 10 EFCDRO COc1cc(O)c(C[N@H+](C)CCN(C)c2ccccc2)cc1OC ZINC000160162236 723174174 /nfs/dbraw/zinc/17/41/74/723174174.db2.gz LCMASEPGMHXUKZ-UHFFFAOYSA-N 1 0 330.428 2.978 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000126807759 723180423 /nfs/dbraw/zinc/18/04/23/723180423.db2.gz BQTAXTWMWBWYTJ-GOSISDBHSA-N 1 0 341.455 2.707 20 10 EFCDRO COc1ccc(O)c(C[NH2+]CCn2nc(C(F)(F)F)cc2C)c1 ZINC000896274299 723223817 /nfs/dbraw/zinc/22/38/17/723223817.db2.gz ZIMSKARVTGAFAH-UHFFFAOYSA-N 1 0 329.322 2.714 20 10 EFCDRO CCN(C(=O)C[NH2+]Cc1ccc(OC)c(OC)c1O)c1ccccc1 ZINC000896288119 723236353 /nfs/dbraw/zinc/23/63/53/723236353.db2.gz AFKYNRYJEFTOGL-UHFFFAOYSA-N 1 0 344.411 2.552 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3ccsn3)C2)cc1C ZINC000983982403 723298158 /nfs/dbraw/zinc/29/81/58/723298158.db2.gz CGHFHECWVJWHSH-SHTZXODSSA-N 1 0 345.468 2.758 20 10 EFCDRO C=C/C=C/CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896437234 723301621 /nfs/dbraw/zinc/30/16/21/723301621.db2.gz MQEKURMAHZGKHU-LKGOPFMKSA-N 1 0 330.476 2.787 20 10 EFCDRO Cc1cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC000320662452 723336272 /nfs/dbraw/zinc/33/62/72/723336272.db2.gz KCVUDBTZVLQTKL-KRWDZBQOSA-N 1 0 332.469 2.761 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc3oc(=O)oc3c2)cc1 ZINC000895137287 723428311 /nfs/dbraw/zinc/42/83/11/723428311.db2.gz MGLURYQRPMVLJQ-UHFFFAOYSA-N 1 0 342.395 2.963 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)c1O ZINC000896832862 723527294 /nfs/dbraw/zinc/52/72/94/723527294.db2.gz HNHLAYLKWZWSMA-ZDUSSCGKSA-N 1 0 332.366 2.826 20 10 EFCDRO COc1cc(O)c(C[NH2+]CCc2nc3c(s2)CCC3)cc1OC ZINC000896842600 723541583 /nfs/dbraw/zinc/54/15/83/723541583.db2.gz WJCBOPBJFPONGA-UHFFFAOYSA-N 1 0 334.441 2.687 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000324752425 728832028 /nfs/dbraw/zinc/83/20/28/728832028.db2.gz UBCWYCYCRVAKMI-LJQANCHMSA-N 1 0 325.456 2.844 20 10 EFCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000841334173 723571512 /nfs/dbraw/zinc/57/15/12/723571512.db2.gz YPXJSUIFLDUFHF-AWEZNQCLSA-N 1 0 347.381 2.984 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCc3ccccc3NC2=O)c1O ZINC000895182828 723840656 /nfs/dbraw/zinc/84/06/56/723840656.db2.gz GLTKKVPVBREQHD-MRXNPFEDSA-N 1 0 326.396 2.752 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)c1O ZINC000896907423 723849192 /nfs/dbraw/zinc/84/91/92/723849192.db2.gz MXDNIZMNUQCKJF-AWEZNQCLSA-N 1 0 336.432 2.808 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3c[nH]cc3C)C2)cc1C ZINC000985122237 723856458 /nfs/dbraw/zinc/85/64/58/723856458.db2.gz POEIXQGZPZDHPR-QAQDUYKDSA-N 1 0 341.455 2.938 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000918198773 728853808 /nfs/dbraw/zinc/85/38/08/728853808.db2.gz GJCAZHCECARZHM-UHFFFAOYSA-N 1 0 332.492 2.818 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000728387897 723988700 /nfs/dbraw/zinc/98/87/00/723988700.db2.gz RBBSERXONFTILB-LJQANCHMSA-N 1 0 329.488 2.976 20 10 EFCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CCO[C@@H]1CCOC1 ZINC000897202810 724079950 /nfs/dbraw/zinc/07/99/50/724079950.db2.gz YPVIZVODEBJIRK-LJQANCHMSA-N 1 0 343.423 2.866 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cc1OC ZINC000895379308 724090059 /nfs/dbraw/zinc/09/00/59/724090059.db2.gz UBUWTLPRFOCYBR-HOCLYGCPSA-N 1 0 336.476 2.962 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000067505241 724098428 /nfs/dbraw/zinc/09/84/28/724098428.db2.gz ODVXEAWWSHTEET-CQSZACIVSA-N 1 0 347.484 2.975 20 10 EFCDRO Cc1cc(O)c(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)cc1Cl ZINC000897257781 724137616 /nfs/dbraw/zinc/13/76/16/724137616.db2.gz NJMHWTYOIQDQSZ-CQSZACIVSA-N 1 0 325.836 2.860 20 10 EFCDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895463399 724146443 /nfs/dbraw/zinc/14/64/43/724146443.db2.gz RZDLBBMZZCWEEN-KSSFIOAISA-N 1 0 337.416 2.621 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]CC(=O)N2CCc3ccccc32)c1O ZINC000895488548 724157564 /nfs/dbraw/zinc/15/75/64/724157564.db2.gz ZRRFADVCQGJQDH-UHFFFAOYSA-N 1 0 346.814 2.733 20 10 EFCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CC(c3ccc4c(c3)CCO4)=NO2)c1 ZINC000895505084 724164371 /nfs/dbraw/zinc/16/43/71/724164371.db2.gz NJAMCXQEETVHMR-QGZVFWFLSA-N 1 0 338.407 2.918 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000895495280 724166721 /nfs/dbraw/zinc/16/67/21/724166721.db2.gz PYJJMYFUNZGKFC-INIZCTEOSA-N 1 0 346.814 2.949 20 10 EFCDRO COc1ccc(N2CCC(NC(=O)CCCCCC[NH3+])CC2)cc1 ZINC000237279308 724168145 /nfs/dbraw/zinc/16/81/45/724168145.db2.gz ZJOPEADYWJSXSO-UHFFFAOYSA-N 1 0 333.476 2.689 20 10 EFCDRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3ccccc3O)C2)cc1C ZINC000895501872 724172137 /nfs/dbraw/zinc/17/21/37/724172137.db2.gz ZPIVRJAUUVPSOL-INIZCTEOSA-N 1 0 326.396 2.992 20 10 EFCDRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3ccccc3O)C2)cc1C ZINC000895501873 724172242 /nfs/dbraw/zinc/17/22/42/724172242.db2.gz ZPIVRJAUUVPSOL-MRXNPFEDSA-N 1 0 326.396 2.992 20 10 EFCDRO CCCC[C@@H](C(=O)OC)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000727585402 724184972 /nfs/dbraw/zinc/18/49/72/724184972.db2.gz AIHQDNGEGMENDX-SFHVURJKSA-N 1 0 334.460 2.939 20 10 EFCDRO CN1CCCc2cc(C[NH2+]C[C@@H](O)COc3ccc(F)cc3)ccc21 ZINC000727644415 724283112 /nfs/dbraw/zinc/28/31/12/724283112.db2.gz DNPAONICRWNYHZ-GOSISDBHSA-N 1 0 344.430 2.738 20 10 EFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000895813156 724328616 /nfs/dbraw/zinc/32/86/16/724328616.db2.gz DUUXDPOKNCGOKL-NEWSRXKRSA-N 1 0 327.472 2.667 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000729049451 724876560 /nfs/dbraw/zinc/87/65/60/724876560.db2.gz FOJAKWUUYFKYAY-KGLIPLIRSA-N 1 0 335.448 2.635 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3conc3C)[C@@H]2C)cc1C ZINC000986819756 724897358 /nfs/dbraw/zinc/89/73/58/724897358.db2.gz CCDRHGULNAXBIS-PBHICJAKSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)(F)F)[C@H]2C)cc1C ZINC000985876163 724938480 /nfs/dbraw/zinc/93/84/80/724938480.db2.gz ZHAWPKPXTHATHU-GXTWGEPZSA-N 1 0 326.387 2.738 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccncc3)[C@@H]2C)cc1C ZINC000985881033 724945251 /nfs/dbraw/zinc/94/52/51/724945251.db2.gz YVZRQWCYRNYXSB-CRAIPNDOSA-N 1 0 339.439 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C)cc1C ZINC000985889120 724949611 /nfs/dbraw/zinc/94/96/11/724949611.db2.gz YWOUVCQPMDMKGS-GDBMZVCRSA-N 1 0 328.412 2.989 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cccnc3)[C@@H]2C)cc1C ZINC000985894546 724955654 /nfs/dbraw/zinc/95/56/54/724955654.db2.gz DMGSMCCPDBCHSG-CRAIPNDOSA-N 1 0 339.439 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ncoc3C)[C@@H]2C)cc1C ZINC000986022028 725012412 /nfs/dbraw/zinc/01/24/12/725012412.db2.gz DWDALRILYCIPRG-CJNGLKHVSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1cccc(C[N@H+](C)C[C@@H]2CCN2C(=O)OC(C)(C)C)c1O ZINC000897405904 725012849 /nfs/dbraw/zinc/01/28/49/725012849.db2.gz NKHDSAXCVNRFJV-AWEZNQCLSA-N 1 0 336.432 2.842 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3=COCCC3)[C@H]2C)cc1C ZINC000986052785 725026257 /nfs/dbraw/zinc/02/62/57/725026257.db2.gz IDFIDRCFZJZMSI-MAUKXSAKSA-N 1 0 344.455 2.777 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3=COCCC3)[C@@H]2C)cc1C ZINC000986052783 725026331 /nfs/dbraw/zinc/02/63/31/725026331.db2.gz IDFIDRCFZJZMSI-CRAIPNDOSA-N 1 0 344.455 2.777 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cscn3)[C@@H]2C)cc1C ZINC000986057019 725027225 /nfs/dbraw/zinc/02/72/25/725027225.db2.gz TWSTUQGDFMUWAA-HIFRSBDPSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(=O)C(C)(C)C)[C@H]2C)cc1C ZINC000986065993 725029831 /nfs/dbraw/zinc/02/98/31/725029831.db2.gz MGSFDMQSKUJTRT-GOEBONIOSA-N 1 0 346.471 2.698 20 10 EFCDRO CCOc1ccc(C[NH2+]CC2(NC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000897423392 725519274 /nfs/dbraw/zinc/51/92/74/725519274.db2.gz YRQSLQVMXQWYTP-UHFFFAOYSA-N 1 0 336.432 2.938 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3nocc3C)[C@@H]2C)cc1C ZINC000987318663 725643201 /nfs/dbraw/zinc/64/32/01/725643201.db2.gz LYBAEYGVUAZIHE-ZBFHGGJFSA-N 1 0 343.427 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3ccc[nH]3)[C@@H]2C)cc1C ZINC000987551347 725748357 /nfs/dbraw/zinc/74/83/57/725748357.db2.gz NMMHUPNBTLRIKH-CRAIPNDOSA-N 1 0 341.455 2.653 20 10 EFCDRO C[C@H]1[C@H]([NH2+]CC2CCC2)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000987582816 725765340 /nfs/dbraw/zinc/76/53/40/725765340.db2.gz AWNPCSGLXZMIIJ-BLLLJJGKSA-N 1 0 343.431 2.842 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3cc(C)on3)C2)cc1C ZINC000987960182 725925340 /nfs/dbraw/zinc/92/53/40/725925340.db2.gz JYOFIWSGWBBYJP-XJKSGUPXSA-N 1 0 343.427 2.693 20 10 EFCDRO CCC[N@@H+]1CC[C@]2(NC(=O)c3ccc(N=NC(N)=O)cc3)CCC[C@@H]12 ZINC000992546533 725956310 /nfs/dbraw/zinc/95/63/10/725956310.db2.gz KBSFKIZFFGNNGE-CRAIPNDOSA-N 1 0 343.431 2.986 20 10 EFCDRO C[N@@H+](Cc1cccc(Br)c1[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000092253706 726073060 /nfs/dbraw/zinc/07/30/60/726073060.db2.gz RSUGHGQOBWFKRP-GFCCVEGCSA-N 1 0 327.266 2.928 20 10 EFCDRO C[N@@H+](Cc1cccc(Br)c1[O-])C[C@H]1CCC[NH+](C)C1 ZINC000092253705 726073101 /nfs/dbraw/zinc/07/31/01/726073101.db2.gz RSUGHGQOBWFKRP-LBPRGKRZSA-N 1 0 327.266 2.928 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3cncs3)C2)cc1C ZINC000988249063 726133114 /nfs/dbraw/zinc/13/31/14/726133114.db2.gz QQYXOFUBXYMAAJ-UKRRQHHQSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3cncs3)C2)cc1C ZINC000988249058 726133153 /nfs/dbraw/zinc/13/31/53/726133153.db2.gz QQYXOFUBXYMAAJ-DZGCQCFKSA-N 1 0 345.468 2.853 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000152546763 726157603 /nfs/dbraw/zinc/15/76/03/726157603.db2.gz NBSSSVUDZCACTC-KBXCAEBGSA-N 1 0 332.419 2.982 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000324186403 726167934 /nfs/dbraw/zinc/16/79/34/726167934.db2.gz IXVPVJWXPUDFPC-WDEREUQCSA-N 1 0 327.384 2.982 20 10 EFCDRO C[C@H](CNC(=O)NCCCSc1nccs1)C[NH+]1CCCC1 ZINC000152548853 726168157 /nfs/dbraw/zinc/16/81/57/726168157.db2.gz GUDOCHKLYXVMJH-CYBMUJFWSA-N 1 0 342.534 2.656 20 10 EFCDRO C[NH+](C)CCCCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000729286177 726227197 /nfs/dbraw/zinc/22/71/97/726227197.db2.gz ZTJCWJCWMQOHMN-UHFFFAOYSA-N 1 0 335.517 2.588 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C(=O)C(C)(C)C)C2)cc1C ZINC000988389983 726231280 /nfs/dbraw/zinc/23/12/80/726231280.db2.gz IJKPKEPPUAIWKU-ZBFHGGJFSA-N 1 0 346.471 2.698 20 10 EFCDRO C[C@H]1CCC[N@@H+]1CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000897478370 726262647 /nfs/dbraw/zinc/26/26/47/726262647.db2.gz RRMYIMGKJCAQBC-INIZCTEOSA-N 1 0 344.503 2.911 20 10 EFCDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000729343875 726317818 /nfs/dbraw/zinc/31/78/18/726317818.db2.gz GZGKYDSCJGPDGV-VQIMIIECSA-N 1 0 345.487 2.575 20 10 EFCDRO CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]21 ZINC000992928089 726343507 /nfs/dbraw/zinc/34/35/07/726343507.db2.gz WCTFMAVOVJILHM-NUEKZKHPSA-N 1 0 343.431 2.699 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3ocnc3C)C2)cc1C ZINC000988498527 726343928 /nfs/dbraw/zinc/34/39/28/726343928.db2.gz DMPDZAZPOUFHAD-BBRMVZONSA-N 1 0 343.427 2.693 20 10 EFCDRO CN(C)c1ccc([C@@H](CNc2cc(N)ccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000897521376 726395251 /nfs/dbraw/zinc/39/52/51/726395251.db2.gz FPQPBQVWRBRIIM-GOSISDBHSA-N 1 0 343.431 2.958 20 10 EFCDRO CN(C)c1ccc([C@H](CNc2ncc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000897521410 726397316 /nfs/dbraw/zinc/39/73/16/726397316.db2.gz GACSWKKJTJDZJX-ZDUSSCGKSA-N 1 0 335.433 2.832 20 10 EFCDRO CN(C)c1ccc([C@H](CNc2ccc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000897521660 726398416 /nfs/dbraw/zinc/39/84/16/726398416.db2.gz HCMQZMFWAWZCOC-INIZCTEOSA-N 1 0 329.404 2.771 20 10 EFCDRO Cc1cc(CO)cc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000897522776 726402395 /nfs/dbraw/zinc/40/23/95/726402395.db2.gz OPSQOQJPGCRWOD-GOSISDBHSA-N 1 0 328.460 2.663 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@@H](C)[NH+](C)C)c2C)cc1 ZINC000914879559 726804478 /nfs/dbraw/zinc/80/44/78/726804478.db2.gz LNPPBZVUOIUYMR-CQSZACIVSA-N 1 0 329.444 2.783 20 10 EFCDRO COc1cccc(O)c1C[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000732232166 727011213 /nfs/dbraw/zinc/01/12/13/727011213.db2.gz DLFBZBMSJBUUDT-UHFFFAOYSA-N 1 0 340.423 2.860 20 10 EFCDRO C[N@@H+]1CCCN(c2ccc(NC(=O)C3=CC(=O)CS3)cc2)CC1 ZINC000732272911 727013560 /nfs/dbraw/zinc/01/35/60/727013560.db2.gz SBZSFYBDHVNQPF-UHFFFAOYSA-N 1 0 331.441 2.848 20 10 EFCDRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1=CC(=O)CS1 ZINC000732286196 727016415 /nfs/dbraw/zinc/01/64/15/727016415.db2.gz BUSXSFKBHQMPNP-OAHLLOKOSA-N 1 0 330.453 2.748 20 10 EFCDRO C[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000915698767 727120078 /nfs/dbraw/zinc/12/00/78/727120078.db2.gz YKLXMFRMAWWUND-HZPDHXFCSA-N 1 0 332.492 2.672 20 10 EFCDRO C[N@@H+]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC12CCCCC2 ZINC000908573901 727219171 /nfs/dbraw/zinc/21/91/71/727219171.db2.gz VKWDBSSPXBXRBD-VURMDHGXSA-N 1 0 330.428 2.588 20 10 EFCDRO CC[NH+](CC)[C@H](C(=O)NCc1ccc(O)cc1O)c1ccccc1 ZINC000910954755 727472919 /nfs/dbraw/zinc/47/29/19/727472919.db2.gz MKBLQVLUGWQPHQ-SFHVURJKSA-N 1 0 328.412 2.797 20 10 EFCDRO O=C(NCc1ccc(O)cc1O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000910948131 727475422 /nfs/dbraw/zinc/47/54/22/727475422.db2.gz UYHZKSMXLVBWDH-UHFFFAOYSA-N 1 0 326.396 2.624 20 10 EFCDRO O=C(NCc1ccc(O)cc1O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000910946561 727475556 /nfs/dbraw/zinc/47/55/56/727475556.db2.gz QDGQAFVABOOVAT-GOSISDBHSA-N 1 0 340.423 2.594 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C(C)(C)Nc2ccccc2)cc1 ZINC000911667402 727576478 /nfs/dbraw/zinc/57/64/78/727576478.db2.gz QLKMNOXSBWTRJY-GOSISDBHSA-N 1 0 340.471 2.759 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000733038653 727633237 /nfs/dbraw/zinc/63/32/37/727633237.db2.gz QVMSEYKSHUJZAV-UHFFFAOYSA-N 1 0 332.492 2.770 20 10 EFCDRO Cc1cc(C(=O)CN2CCC[N@@H+](C)CC2)c(C)n1-c1ccccc1 ZINC000916644903 727713609 /nfs/dbraw/zinc/71/36/09/727713609.db2.gz BIJPHEHTJDRZJI-UHFFFAOYSA-N 1 0 325.456 2.914 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000917019351 727755185 /nfs/dbraw/zinc/75/51/85/727755185.db2.gz BWCYSVYDAGWUKH-FQEVSTJZSA-N 1 0 331.504 2.565 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000917019352 727755197 /nfs/dbraw/zinc/75/51/97/727755197.db2.gz BWCYSVYDAGWUKH-HXUWFJFHSA-N 1 0 331.504 2.565 20 10 EFCDRO CC(C)[N@H+](CC(=O)NC(=O)NC(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000917074915 727763608 /nfs/dbraw/zinc/76/36/08/727763608.db2.gz LJCACXYTERFWKL-UHFFFAOYSA-N 1 0 348.491 2.587 20 10 EFCDRO CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC000994497182 727771942 /nfs/dbraw/zinc/77/19/42/727771942.db2.gz QJMIOJYZSVGYEL-WFASDCNBSA-N 1 0 331.420 2.842 20 10 EFCDRO Cc1ccc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)cn1 ZINC000154307111 727782136 /nfs/dbraw/zinc/78/21/36/727782136.db2.gz RWSDVBNCSXXESG-ZROIWOOFSA-N 1 0 333.482 2.685 20 10 EFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C[C@@H]3CC=CCC3)cc2)C1 ZINC000917394275 727800288 /nfs/dbraw/zinc/80/02/88/727800288.db2.gz GUHFIBDDSAYQQF-AEFFLSMTSA-N 1 0 327.472 2.834 20 10 EFCDRO COCC(=O)NC1CC[NH+](Cc2cc(C(C)C)c(C)cc2O)CC1 ZINC000917457879 727810437 /nfs/dbraw/zinc/81/04/37/727810437.db2.gz XAEXFOOPBADLGB-UHFFFAOYSA-N 1 0 334.460 2.551 20 10 EFCDRO [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000841099546 727974067 /nfs/dbraw/zinc/97/40/67/727974067.db2.gz LLTQIJHQWHTFHN-YOEHRIQHSA-N 1 0 342.842 2.903 20 10 EFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c1O ZINC000183160834 727980224 /nfs/dbraw/zinc/98/02/24/727980224.db2.gz IJYPYJZIGQGTAM-XDHUDOTRSA-N 1 0 349.427 2.943 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000182372730 728120784 /nfs/dbraw/zinc/12/07/84/728120784.db2.gz XWYLTLDENHAEPM-SNVBAGLBSA-N 1 0 336.338 2.968 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COCc2cccs2)c1 ZINC000182429029 728148642 /nfs/dbraw/zinc/14/86/42/728148642.db2.gz XCSDWNFLEJOYJX-QWHCGFSZSA-N 1 0 337.441 2.691 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2sccc2C#N)c1 ZINC000182415680 728152695 /nfs/dbraw/zinc/15/26/95/728152695.db2.gz ISHKKONSSVWVDO-JTQLQIEISA-N 1 0 331.397 2.623 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2cccs2)c1 ZINC000182443370 728162765 /nfs/dbraw/zinc/16/27/65/728162765.db2.gz MXNPHUFCPYXLHX-RYUDHWBXSA-N 1 0 334.441 2.990 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2cccs2)c1 ZINC000182443424 728162934 /nfs/dbraw/zinc/16/29/34/728162934.db2.gz MXNPHUFCPYXLHX-VXGBXAGGSA-N 1 0 334.441 2.990 20 10 EFCDRO CC(C)[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000995228095 728405481 /nfs/dbraw/zinc/40/54/81/728405481.db2.gz HCFNAAYLCCICIS-SWLSCSKDSA-N 1 0 331.420 2.746 20 10 EFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171836367 728555372 /nfs/dbraw/zinc/55/53/72/728555372.db2.gz GRZRQHBWTMUGHJ-IBGZPJMESA-N 1 0 344.503 2.960 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)C(C)C)cc2F)CC1 ZINC000171942006 728560532 /nfs/dbraw/zinc/56/05/32/728560532.db2.gz OBVVOCWPKNFHJG-OAHLLOKOSA-N 1 0 335.467 2.876 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000187799151 728602175 /nfs/dbraw/zinc/60/21/75/728602175.db2.gz NLSABJHCAMNUQR-KRWDZBQOSA-N 1 0 332.492 2.626 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1C(C)C ZINC000172934529 728611054 /nfs/dbraw/zinc/61/10/54/728611054.db2.gz DPOCFBLVLWPLCO-QGZVFWFLSA-N 1 0 332.488 2.978 20 10 EFCDRO COc1cccc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1 ZINC000063824441 728649588 /nfs/dbraw/zinc/64/95/88/728649588.db2.gz IGDRRCQUWPKBLD-PTNGSMBKSA-N 1 0 348.493 2.991 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[NH2+][C@@H](C)C3)c2C)cc1 ZINC000155166914 729131734 /nfs/dbraw/zinc/13/17/34/729131734.db2.gz ULVULYFJQZSESA-ZDUSSCGKSA-N 1 0 327.428 2.537 20 10 EFCDRO CN(C)c1ccc(CN(C(=S)NC2CC[NH+](C)CC2)C2CC2)cc1 ZINC000920311261 729172521 /nfs/dbraw/zinc/17/25/21/729172521.db2.gz VCNQSKZXCGRXAF-UHFFFAOYSA-N 1 0 346.544 2.686 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)c3cocn3)C2)cc1C ZINC000994835254 729577639 /nfs/dbraw/zinc/57/76/39/729577639.db2.gz QLCLNALZJGSEHC-JKSUJKDBSA-N 1 0 343.427 2.680 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCN(Cc3cccc(F)c3)CC2)c1 ZINC000179675965 729607642 /nfs/dbraw/zinc/60/76/42/729607642.db2.gz ZFJGNMBEPCYQPV-UHFFFAOYSA-N 1 0 330.403 2.858 20 10 EFCDRO COc1ccc(F)cc1CN1CC[NH+](Cc2ccccc2O)CC1 ZINC000179887188 729647679 /nfs/dbraw/zinc/64/76/79/729647679.db2.gz RBDQJZSOONLBPQ-UHFFFAOYSA-N 1 0 330.403 2.858 20 10 EFCDRO COc1cc(O)c(C[N@H+](CCO)[C@H]2CCc3ccccc32)cc1OC ZINC000180242430 729714303 /nfs/dbraw/zinc/71/43/03/729714303.db2.gz NERFWCPVHFCDOH-KRWDZBQOSA-N 1 0 343.423 2.891 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCN(c3nc(C)c(C)s3)CC2)c1 ZINC000180482189 729749107 /nfs/dbraw/zinc/74/91/07/729749107.db2.gz BUWWLTOCPGWKBE-UHFFFAOYSA-N 1 0 333.457 2.796 20 10 EFCDRO CCOc1cccc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)cc2)c1O ZINC000873191866 1126119629 /nfs/dbraw/zinc/11/96/29/1126119629.db2.gz UBESEPPWHPXIQJ-HXUWFJFHSA-N 1 0 345.439 2.883 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1O ZINC001353585493 1126183584 /nfs/dbraw/zinc/18/35/84/1126183584.db2.gz WSZWXSFGJVOLRR-INIZCTEOSA-N 1 0 340.423 2.884 20 10 EFCDRO Cc1cc(CCNC(=O)[C@@H]2[NH2+]CC2(C)C)c(C)n1-c1ccccc1 ZINC001574133406 1087953791 /nfs/dbraw/zinc/95/37/91/1087953791.db2.gz CEGGKKPSTAFDAG-SFHVURJKSA-N 1 0 325.456 2.751 20 10 EFCDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N)cc2)cc1 ZINC001575689854 1088633014 /nfs/dbraw/zinc/63/30/14/1088633014.db2.gz WVIZQRPLJSUYRM-UHFFFAOYSA-N 1 0 347.484 2.588 20 10 EFCDRO C[C@H](C[NH3+])Cn1c(C2CCCC2)nnc1N(C)Cc1ccccc1O ZINC001575998848 1088838011 /nfs/dbraw/zinc/83/80/11/1088838011.db2.gz ROWKPLDWHWAKTO-CQSZACIVSA-N 1 0 343.475 2.873 20 10 EFCDRO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC001576392099 1089180228 /nfs/dbraw/zinc/18/02/28/1089180228.db2.gz WTLJFTKLWDZALZ-IPELMVKDSA-N 1 0 347.478 2.529 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)N[C@H]3C[C@H]4CC[C@@H]3[NH2+]4)cc2)CC1 ZINC001576734988 1089426092 /nfs/dbraw/zinc/42/60/92/1089426092.db2.gz PJTMDPIKIQXBAG-NEWSRXKRSA-N 1 0 342.487 2.615 20 10 EFCDRO C[C@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)c2cc(Br)ccc2O1 ZINC001576763679 1089447533 /nfs/dbraw/zinc/44/75/33/1089447533.db2.gz XOJHFUHAGPDQSW-JOYOIKCWSA-N 1 0 337.217 2.611 20 10 EFCDRO C[C@@H]1Cc2cc(C[NH2+]C[C@@H](N)c3ccc(N(C)C)cc3)ccc2O1 ZINC001576861169 1089493170 /nfs/dbraw/zinc/49/31/70/1089493170.db2.gz BUSSBAQNZISFDO-AUUYWEPGSA-N 1 0 325.456 2.866 20 10 EFCDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC001576883600 1089505142 /nfs/dbraw/zinc/50/51/42/1089505142.db2.gz WBRRHZFTFHTTGE-HNAYVOBHSA-N 1 0 341.455 2.872 20 10 EFCDRO CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC001577457568 1089982526 /nfs/dbraw/zinc/98/25/26/1089982526.db2.gz AUHAOKJHILRTFL-AWEZNQCLSA-N 1 0 326.387 2.766 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2C[NH2+]CCC23CCC3)cc1 ZINC001577697526 1090132703 /nfs/dbraw/zinc/13/27/03/1090132703.db2.gz MRKGMKIMAWDFKI-GOSISDBHSA-N 1 0 329.488 2.929 20 10 EFCDRO CN(C(=O)c1cccc2c1CC[NH2+]C2)c1cccnc1N1CCCC1 ZINC001578391951 1090360593 /nfs/dbraw/zinc/36/05/93/1090360593.db2.gz WMQLMHVSPNOSLP-UHFFFAOYSA-N 1 0 336.439 2.604 20 10 EFCDRO CN(C)c1ccc(CN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)C2CC2)cc1 ZINC001578425443 1090369078 /nfs/dbraw/zinc/36/90/78/1090369078.db2.gz DKWNLFMNOJZLEJ-AZUAARDMSA-N 1 0 327.472 2.633 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(-n3cccc3)cc2)cc1 ZINC001578424631 1090369244 /nfs/dbraw/zinc/36/92/44/1090369244.db2.gz PUPYIBBDRHLRJC-FQEVSTJZSA-N 1 0 348.450 2.973 20 10 EFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@]2(C)CNCCO2)cc1 ZINC001578498356 1090386854 /nfs/dbraw/zinc/38/68/54/1090386854.db2.gz GQMOPNRTBVFVCD-IBGZPJMESA-N 1 0 345.512 2.853 20 10 EFCDRO CO/C(=C\c1ccccc1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001578764462 1090438640 /nfs/dbraw/zinc/43/86/40/1090438640.db2.gz WYSMSMROHSJATN-ZJYZBMPFSA-N 1 0 339.439 2.556 20 10 EFCDRO COc1c([O-])c(C[NH+]2CCC3(C[NH2+][C@@H]3C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001579136685 1090522521 /nfs/dbraw/zinc/52/25/21/1090522521.db2.gz PUXRSMOSPQRKDW-QGZVFWFLSA-N 1 0 349.431 2.519 20 10 EFCDRO COc1cc([N+](=O)[O-])c(N2CCC3(CCC[C@H]3C[NH3+])CC2)cc1OC ZINC001579159816 1090530706 /nfs/dbraw/zinc/53/07/06/1090530706.db2.gz FPVWBZFYQUFDRH-ZDUSSCGKSA-N 1 0 349.431 2.957 20 10 EFCDRO COc1ccc(N(CCc2ccccc2)C[C@@H]2C[NH2+]CCO2)cc1 ZINC001579224735 1090551694 /nfs/dbraw/zinc/55/16/94/1090551694.db2.gz URZABBSTJRHQJA-FQEVSTJZSA-N 1 0 326.440 2.733 20 10 EFCDRO CSCC[C@H]([NH3+])C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001579379066 1090599998 /nfs/dbraw/zinc/59/99/98/1090599998.db2.gz TUFISGXBXQAONY-SFHVURJKSA-N 1 0 345.512 2.833 20 10 EFCDRO C[C@@H]1C[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)CC[NH2+]1 ZINC001579467268 1090618434 /nfs/dbraw/zinc/61/84/34/1090618434.db2.gz ROZRYUBVVCEXNT-HUUCEWRRSA-N 1 0 328.412 2.902 20 10 EFCDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2F)c(C)n1-c1ccc(F)cc1 ZINC001579563762 1090634896 /nfs/dbraw/zinc/63/48/96/1090634896.db2.gz RUCWXMSFWUXDJS-IRXDYDNUSA-N 1 0 333.382 2.663 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001579589699 1090638587 /nfs/dbraw/zinc/63/85/87/1090638587.db2.gz NBEOSBXKTOGOPE-CXAGYDPISA-N 1 0 339.439 2.777 20 10 EFCDRO Cc1cc(CNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)c(C)n1-c1ccccc1 ZINC001579600899 1090640540 /nfs/dbraw/zinc/64/05/40/1090640540.db2.gz BJFYZIRLTGMMQQ-CRAIPNDOSA-N 1 0 329.419 2.658 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC001579617977 1090644844 /nfs/dbraw/zinc/64/48/44/1090644844.db2.gz XPAQTOWOESPNAX-WMZOPIPTSA-N 1 0 346.519 2.823 20 10 EFCDRO Cc1cc(C(=O)Nc2ccnn2C2C[NH2+]C2)c(C)n1-c1cccc(C)c1 ZINC001579746823 1090677432 /nfs/dbraw/zinc/67/74/32/1090677432.db2.gz BPMCBVRPOWZMGR-UHFFFAOYSA-N 1 0 349.438 2.996 20 10 EFCDRO Cc1cc(CNC(=O)[C@@H](C)C2C[NH2+]C2)c(C)n1-c1cccc(C)c1 ZINC001579746904 1090677614 /nfs/dbraw/zinc/67/76/14/1090677614.db2.gz DNRCJWHMOOIQIX-HNNXBMFYSA-N 1 0 325.456 2.874 20 10 EFCDRO [NH3+][C@H]1CCc2ccccc2N(C(=O)/C=C/c2cnc3ccccc3n2)C1 ZINC001580205872 1090810086 /nfs/dbraw/zinc/81/00/86/1090810086.db2.gz ZETHZXYHUILKQZ-PCUGXKRQSA-N 1 0 344.418 2.950 20 10 EFCDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCc2cccc(Cl)c2O)CC1 ZINC001580331596 1090865180 /nfs/dbraw/zinc/86/51/80/1090865180.db2.gz UGKHAIZFODUICN-HAQNSBGRSA-N 1 0 325.840 2.610 20 10 EFCDRO Nc1ccc(C[NH2+]Cc2cccc(S(=O)(=O)C(F)(F)F)c2)cc1 ZINC001580447028 1090902560 /nfs/dbraw/zinc/90/25/60/1090902560.db2.gz OFOQBQPDBGQMAF-UHFFFAOYSA-N 1 0 344.358 2.852 20 10 EFCDRO O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCc1ccc2cccnc2c1O ZINC001580523584 1090931916 /nfs/dbraw/zinc/93/19/16/1090931916.db2.gz XCKPQWLGQSOJBO-KRWDZBQOSA-N 1 0 333.391 2.791 20 10 EFCDRO [O-]c1c(F)cc(Br)cc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC001580885582 1091034157 /nfs/dbraw/zinc/03/41/57/1091034157.db2.gz FSXOEIKYOASVDY-GFCCVEGCSA-N 1 0 329.213 2.526 20 10 EFCDRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1F)c1ccc(N(C)C)cc1 ZINC001589970733 1093202316 /nfs/dbraw/zinc/20/23/16/1093202316.db2.gz WHMGSQLZPUVYMK-GFCCVEGCSA-N 1 0 340.406 2.923 20 10 EFCDRO CCN(C)c1ccc(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC001590678711 1093546103 /nfs/dbraw/zinc/54/61/03/1093546103.db2.gz DOHGJMGESYBPAD-UHFFFAOYSA-N 1 0 336.443 2.955 20 10 EFCDRO CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590688171 1093549424 /nfs/dbraw/zinc/54/94/24/1093549424.db2.gz XCULRDPHZYNWCC-UONOGXRCSA-N 1 0 346.479 2.733 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(F)c2-c2nn[nH]n2)c1 ZINC001591618150 1093800284 /nfs/dbraw/zinc/80/02/84/1093800284.db2.gz GGVNCJVRWXHZPQ-JTQLQIEISA-N 1 0 343.362 2.571 20 10 EFCDRO COc1cccc(O)c1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001591641617 1093813175 /nfs/dbraw/zinc/81/31/75/1093813175.db2.gz LLYKTIQHCFMRKC-UHFFFAOYSA-N 1 0 345.790 2.524 20 10 EFCDRO Cc1cc(C[N@H+](C)Cc2cc(-c3nn[nH]n3)cs2)ccc1N(C)C ZINC001591961551 1093934826 /nfs/dbraw/zinc/93/48/26/1093934826.db2.gz RCQCFBBRDIBKPZ-UHFFFAOYSA-N 1 0 342.472 2.935 20 10 EFCDRO Cc1cc(C[NH2+]Cc2cc(Cl)ccc2O)ccc1-c1nn[nH]n1 ZINC001591968764 1093938002 /nfs/dbraw/zinc/93/80/02/1093938002.db2.gz HHDFOHPXYNFNPC-UHFFFAOYSA-N 1 0 329.791 2.824 20 10 EFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cn2)c1O ZINC001591977327 1093943385 /nfs/dbraw/zinc/94/33/85/1093943385.db2.gz YVCAKMJPQFCFGT-SNVBAGLBSA-N 1 0 344.806 2.780 20 10 EFCDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cncc(F)c1 ZINC000783006721 1095078308 /nfs/dbraw/zinc/07/83/08/1095078308.db2.gz UBVAHJJSRYFCEA-AWEZNQCLSA-N 1 0 344.434 2.596 20 10 EFCDRO CCOc1ccc(N2CC[NH+](Cc3cccc4nonc43)CC2)cc1 ZINC001203143672 1095830966 /nfs/dbraw/zinc/83/09/66/1095830966.db2.gz ZUYPXDZIMIMHGH-UHFFFAOYSA-N 1 0 338.411 2.944 20 10 EFCDRO COC(=O)C[C@](C)([NH2+]Cc1ccc2c(c1)CCCO2)c1ccncc1 ZINC000893686479 1095908209 /nfs/dbraw/zinc/90/82/09/1095908209.db2.gz FTVSEWJZZJHHGT-FQEVSTJZSA-N 1 0 340.423 2.975 20 10 EFCDRO CCCOc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cn2)cc1C ZINC001604233260 1096781389 /nfs/dbraw/zinc/78/13/89/1096781389.db2.gz WISPKXZYEKTBHO-UHFFFAOYSA-N 1 0 338.415 2.649 20 10 EFCDRO CCOC(=O)c1c(CN2CCCC[C@H]2C[NH3+])c2ccccc2n1C ZINC001204932241 1097295995 /nfs/dbraw/zinc/29/59/95/1097295995.db2.gz ILQQHRDQRSUYJR-AWEZNQCLSA-N 1 0 329.444 2.668 20 10 EFCDRO C[N@@H+]1CCC[C@@]2(CCCN(C(=O)c3cc4cc(O)c(O)cc4[nH]3)C2)C1 ZINC001269476663 1098168528 /nfs/dbraw/zinc/16/85/28/1098168528.db2.gz KJBMGVGLQBGKKW-LJQANCHMSA-N 1 0 343.427 2.527 20 10 EFCDRO O=C(c1cccc(O)c1O)N1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001269608152 1098286044 /nfs/dbraw/zinc/28/60/44/1098286044.db2.gz WOFJNESAAJYBSL-UHFFFAOYSA-N 1 0 330.428 2.578 20 10 EFCDRO Oc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1C(F)(F)F ZINC001609611534 1098399877 /nfs/dbraw/zinc/39/98/77/1098399877.db2.gz IFSUZAYGFJSTPA-UHFFFAOYSA-N 1 0 349.316 2.881 20 10 EFCDRO CC(C)(C)c1cc(O)c(CN2CCO[C@@H](CC[NH3+])C2)cc1Cl ZINC001204757540 1100208480 /nfs/dbraw/zinc/20/84/80/1100208480.db2.gz ZKJQXIUNDFLSHA-ZDUSSCGKSA-N 1 0 326.868 2.893 20 10 EFCDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000840107178 1100828370 /nfs/dbraw/zinc/82/83/70/1100828370.db2.gz CTPINXWJSWDSJY-GOEBONIOSA-N 1 0 347.418 2.721 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC1CC[NH+](C)CC1 ZINC000840289695 1100982944 /nfs/dbraw/zinc/98/29/44/1100982944.db2.gz NKPIGIWASUJNKA-MRXNPFEDSA-N 1 0 346.519 2.633 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000840310242 1100993461 /nfs/dbraw/zinc/99/34/61/1100993461.db2.gz QPHPQCDHORTENM-LZLYRXPVSA-N 1 0 346.519 2.774 20 10 EFCDRO Cc1ncc(Cl)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001167423171 1101574571 /nfs/dbraw/zinc/57/45/71/1101574571.db2.gz PKIHJTUKRHJEMF-UHFFFAOYSA-N 1 0 331.851 2.802 20 10 EFCDRO Cc1nc2cccnc2c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001167426243 1101583281 /nfs/dbraw/zinc/58/32/81/1101583281.db2.gz DBOAMAOZXDJCRZ-UHFFFAOYSA-N 1 0 348.454 2.697 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3cc4c(nn3)CCCC4)cc2)CC1 ZINC001167430979 1101611536 /nfs/dbraw/zinc/61/15/36/1101611536.db2.gz ACJSTSIMAVDSIX-UHFFFAOYSA-N 1 0 337.471 2.719 20 10 EFCDRO COc1ccc(N2CC[NH+](CCCC(C)(C)OC(C)=O)CC2)cc1 ZINC001209148836 1101660389 /nfs/dbraw/zinc/66/03/89/1101660389.db2.gz MNKROKIMFCGRMQ-UHFFFAOYSA-N 1 0 334.460 2.939 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ccc4nnccc4c3)cc2)CC1 ZINC001167434535 1101662719 /nfs/dbraw/zinc/66/27/19/1101662719.db2.gz OUYWCQLJDREBRS-UHFFFAOYSA-N 1 0 333.439 2.994 20 10 EFCDRO CC(C)n1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1=O ZINC001167436834 1101709222 /nfs/dbraw/zinc/70/92/22/1101709222.db2.gz BODHLWBZSNJZJU-UHFFFAOYSA-N 1 0 340.471 2.793 20 10 EFCDRO C[NH+](C)[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000588405794 1101924925 /nfs/dbraw/zinc/92/49/25/1101924925.db2.gz XJFHIAPRLVULDT-AGHZKPIHSA-N 1 0 344.386 2.669 20 10 EFCDRO CC(C)[NH2+]C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001075367195 1101981876 /nfs/dbraw/zinc/98/18/76/1101981876.db2.gz OFSGGHOKZBVBIG-UKRRQHHQSA-N 1 0 345.447 2.945 20 10 EFCDRO CC(C)[NH2+]C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001075367194 1101982113 /nfs/dbraw/zinc/98/21/13/1101982113.db2.gz OFSGGHOKZBVBIG-HIFRSBDPSA-N 1 0 345.447 2.945 20 10 EFCDRO C[NH+]1CCC(C)(CNC(=O)NCCCSc2nccs2)CC1 ZINC000780840853 1102886551 /nfs/dbraw/zinc/88/65/51/1102886551.db2.gz DQRMIKBPRJSJGP-UHFFFAOYSA-N 1 0 342.534 2.656 20 10 EFCDRO [NH3+]C[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CCCO1 ZINC000841100942 1102975806 /nfs/dbraw/zinc/97/58/06/1102975806.db2.gz PLQFWSIXFZNOON-LJQANCHMSA-N 1 0 342.439 2.521 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]C[C@@H](O)Cc2ccccc2)N(C)C)cc1 ZINC000905703714 1103513968 /nfs/dbraw/zinc/51/39/68/1103513968.db2.gz JGGKZSNSLKWFAB-SFTDATJTSA-N 1 0 341.499 2.549 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@@H](O)c2ccccc2F)N(C)C)cc1 ZINC000905705861 1103516589 /nfs/dbraw/zinc/51/65/89/1103516589.db2.gz RUZDPJUVRAYQMC-WOJBJXKFSA-N 1 0 345.462 2.818 20 10 EFCDRO Cc1cccc([C@@H](O)C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000905706363 1103517290 /nfs/dbraw/zinc/51/72/90/1103517290.db2.gz UFDXJOYFBNBEIN-SFTDATJTSA-N 1 0 341.499 2.987 20 10 EFCDRO CCCCOCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001662474474 1103704122 /nfs/dbraw/zinc/70/41/22/1103704122.db2.gz UWOVMPLIICXSHZ-KRWDZBQOSA-N 1 0 334.460 2.511 20 10 EFCDRO COCCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001105870578 1104276700 /nfs/dbraw/zinc/27/67/00/1104276700.db2.gz OLLRSCCDPCWUAH-SJLPKXTDSA-N 1 0 348.487 2.614 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C[C@H](C)OC)C[C@H]2C)cc1C ZINC001105919705 1104324757 /nfs/dbraw/zinc/32/47/57/1104324757.db2.gz PQSKBGALAZRTFP-SOLBZPMBSA-N 1 0 348.487 2.613 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2nc(C(C)C)oc2C)cc1C ZINC001127168392 1104341695 /nfs/dbraw/zinc/34/16/95/1104341695.db2.gz LHCZIQXLOHYIBW-UHFFFAOYSA-N 1 0 345.443 2.943 20 10 EFCDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CCCC4)cc3)C[C@H]21 ZINC000841710322 1104664729 /nfs/dbraw/zinc/66/47/29/1104664729.db2.gz VYVWUBYTLCCTAW-BHIYHBOVSA-N 1 0 342.487 2.556 20 10 EFCDRO C[NH2+]CCC1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000841710574 1104664755 /nfs/dbraw/zinc/66/47/55/1104664755.db2.gz ZCOJTTLLIKEAQK-UHFFFAOYSA-N 1 0 344.503 2.818 20 10 EFCDRO C[C@@H]1CN(CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000729683022 1104770856 /nfs/dbraw/zinc/77/08/56/1104770856.db2.gz PRDSZUIWGPSBMN-MRXNPFEDSA-N 1 0 326.440 2.870 20 10 EFCDRO CSCC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)C(=O)N(C)C ZINC000841755552 1104821795 /nfs/dbraw/zinc/82/17/95/1104821795.db2.gz JAYJZDQSUDMLST-MFKMUULPSA-N 1 0 330.881 2.906 20 10 EFCDRO COc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1O ZINC000237395363 1105015868 /nfs/dbraw/zinc/01/58/68/1105015868.db2.gz MNQMANJSFOZUTD-UHFFFAOYSA-N 1 0 346.402 2.666 20 10 EFCDRO C[C@@H](CC(=O)NCCCSc1nccs1)[C@H]1CCC[NH2+]C1 ZINC000237430305 1105135838 /nfs/dbraw/zinc/13/58/38/1105135838.db2.gz MBVBMFNKELUMNR-STQMWFEESA-N 1 0 327.519 2.767 20 10 EFCDRO C[C@@H](CC(=O)NCCCSc1nccs1)[C@@H]1CCC[NH2+]C1 ZINC000237430275 1105136121 /nfs/dbraw/zinc/13/61/21/1105136121.db2.gz MBVBMFNKELUMNR-QWHCGFSZSA-N 1 0 327.519 2.767 20 10 EFCDRO Cc1cc(O)c(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)cc1C ZINC000054513976 1105215945 /nfs/dbraw/zinc/21/59/45/1105215945.db2.gz IJSQGCIVYXMRFB-UHFFFAOYSA-N 1 0 338.451 2.896 20 10 EFCDRO O[C@@H]1CCCC[C@@H]1CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000897538979 1105301699 /nfs/dbraw/zinc/30/16/99/1105301699.db2.gz KJILXOVHISYCFS-VQIMIIECSA-N 1 0 336.451 2.693 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3ccsn3)C2)cc1C ZINC000989030415 1105446429 /nfs/dbraw/zinc/44/64/29/1105446429.db2.gz RKALJFQIHUCYKL-DZGCQCFKSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3ccsn3)C2)cc1C ZINC000989030417 1105446473 /nfs/dbraw/zinc/44/64/73/1105446473.db2.gz RKALJFQIHUCYKL-HIFRSBDPSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3cc(F)c[nH]3)C2)cc1C ZINC000989204913 1105608268 /nfs/dbraw/zinc/60/82/68/1105608268.db2.gz BKMWKRDBUWZDQO-CJNGLKHVSA-N 1 0 345.418 2.864 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](Cc3nc(C)no3)C2)c1 ZINC000897579305 1105777859 /nfs/dbraw/zinc/77/78/59/1105777859.db2.gz TUMILTHGMFUDHV-CQSZACIVSA-N 1 0 331.416 2.937 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000841946088 1106023792 /nfs/dbraw/zinc/02/37/92/1106023792.db2.gz FVEZWRGWWNVICB-SFHVURJKSA-N 1 0 330.476 2.556 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CCC([NH3+])CC1 ZINC000841945364 1106026950 /nfs/dbraw/zinc/02/69/50/1106026950.db2.gz IAJKMCUXPKQSBP-UHFFFAOYSA-N 1 0 332.492 2.943 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000841966024 1106058755 /nfs/dbraw/zinc/05/87/55/1106058755.db2.gz NUCURUFRWGYIOT-SFHVURJKSA-N 1 0 330.476 2.556 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1=CC[NH2+]CC1 ZINC000841972951 1106086638 /nfs/dbraw/zinc/08/66/38/1106086638.db2.gz KHXPYIUVHSBYCC-UHFFFAOYSA-N 1 0 330.476 2.592 20 10 EFCDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)CC[NH2+]1 ZINC000841985673 1106095435 /nfs/dbraw/zinc/09/54/35/1106095435.db2.gz KJDMAPROFJYWOW-ZBFHGGJFSA-N 1 0 343.427 2.838 20 10 EFCDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000841997841 1106124591 /nfs/dbraw/zinc/12/45/91/1106124591.db2.gz UPWUMGVWVOMKKR-SHTZXODSSA-N 1 0 345.487 2.835 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000842015317 1106177179 /nfs/dbraw/zinc/17/71/79/1106177179.db2.gz MPZIQNNCGUBYOZ-OKZBNKHCSA-N 1 0 344.503 2.672 20 10 EFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CC[N@@H+]3C(C)(C)C)C2)cc1 ZINC000898007868 1106179275 /nfs/dbraw/zinc/17/92/75/1106179275.db2.gz UMMMOLIUJMWZGG-MAUKXSAKSA-N 1 0 345.487 2.511 20 10 EFCDRO COc1ccc(C[N@H+](CCCO)Cc2cc3c(cc2O)OCO3)cc1 ZINC000898172503 1106259851 /nfs/dbraw/zinc/25/98/51/1106259851.db2.gz LLNJHBRTRVXASE-UHFFFAOYSA-N 1 0 345.395 2.514 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)Cc3ccc[nH]3)C2)cc1C ZINC000989819650 1106681795 /nfs/dbraw/zinc/68/17/95/1106681795.db2.gz LNGVHVMMNJBQEB-MAUKXSAKSA-N 1 0 341.455 2.653 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]CCC2CC2)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000989839481 1106703353 /nfs/dbraw/zinc/70/33/53/1106703353.db2.gz ZNYFMVFXRQAXSJ-WBMJQRKESA-N 1 0 343.431 2.842 20 10 EFCDRO CC[C@@H]([NH2+][C@@H](C)CC(=O)NC)c1cc(Br)ccc1O ZINC000323066209 1106811257 /nfs/dbraw/zinc/81/12/57/1106811257.db2.gz VFQJAGGLJGXLBT-JOYOIKCWSA-N 1 0 329.238 2.720 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)C[C@H]3CCCO3)CC2)cc1C ZINC000990008565 1107175031 /nfs/dbraw/zinc/17/50/31/1107175031.db2.gz QRFFUDKKGZEBOB-GOSISDBHSA-N 1 0 346.471 2.653 20 10 EFCDRO COc1ccc(N(C)CCN(C)C(=O)Nc2ccccc2C[NH3+])cc1 ZINC000904626312 1108068964 /nfs/dbraw/zinc/06/89/64/1108068964.db2.gz KDHBWCYZQZJQKG-UHFFFAOYSA-N 1 0 342.443 2.754 20 10 EFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccccc1C[NH3+] ZINC000904650152 1108085632 /nfs/dbraw/zinc/08/56/32/1108085632.db2.gz UIUKDYAZTBTKML-UHFFFAOYSA-N 1 0 326.400 2.642 20 10 EFCDRO O=C1C[C@@]2(CN1C1CCCC1)CCCC[N@H+]2Cc1cc(O)ccc1O ZINC001272386548 1108151291 /nfs/dbraw/zinc/15/12/91/1108151291.db2.gz MURXMNZUAKYXLW-HXUWFJFHSA-N 1 0 344.455 2.997 20 10 EFCDRO CC(C)=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(O)ccc2O)C1=O ZINC001272387285 1108152956 /nfs/dbraw/zinc/15/29/56/1108152956.db2.gz VVVFZGZHVPUEDY-IBGZPJMESA-N 1 0 330.428 2.631 20 10 EFCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@](C)(O)C(F)F)cc2F)C[C@@H](C)O1 ZINC000905054940 1108362824 /nfs/dbraw/zinc/36/28/24/1108362824.db2.gz LSDLWQYOWSTCPF-QFSBIZTOSA-N 1 0 346.393 2.545 20 10 EFCDRO CCCC[N@@H+]1CC[C@@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001272469467 1108419731 /nfs/dbraw/zinc/41/97/31/1108419731.db2.gz BABMWABJJYFPFA-HXUWFJFHSA-N 1 0 329.488 2.977 20 10 EFCDRO CN(C)c1ccc(CNC(=O)[C@H]2CC23CC[NH+](CC2CC2)CC3)cc1 ZINC001272489186 1108500943 /nfs/dbraw/zinc/50/09/43/1108500943.db2.gz ACFYRWQBPRHLLW-LJQANCHMSA-N 1 0 341.499 2.881 20 10 EFCDRO CN(C)c1ccc(CN2CC[C@@]3(CC[N@H+](CC4CC4)C3)C2=O)cc1 ZINC001272489452 1108501957 /nfs/dbraw/zinc/50/19/57/1108501957.db2.gz DFQVJFGDYDCJTN-HXUWFJFHSA-N 1 0 327.472 2.587 20 10 EFCDRO CN(C)c1ccc(CN2CC[C@]3(CC[N@H+](CC4CCC4)C3)C2=O)cc1 ZINC001272525032 1108616754 /nfs/dbraw/zinc/61/67/54/1108616754.db2.gz PEHNCCVIQRTDTQ-NRFANRHFSA-N 1 0 341.499 2.977 20 10 EFCDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000924705248 1108764857 /nfs/dbraw/zinc/76/48/57/1108764857.db2.gz KPCOYTISUCDHOI-WBMJQRKESA-N 1 0 344.377 2.667 20 10 EFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccnn2CC2CC2)N(C)C)cc1 ZINC000898448174 1108941488 /nfs/dbraw/zinc/94/14/88/1108941488.db2.gz QHKLRXLPLXRTET-HXUWFJFHSA-N 1 0 341.503 2.752 20 10 EFCDRO CC(C)n1cncc1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898448146 1108942165 /nfs/dbraw/zinc/94/21/65/1108942165.db2.gz PYBCIMHDMMEZKL-IBGZPJMESA-N 1 0 329.492 2.923 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cccc3nccn32)N(C)C)cc1 ZINC000898449339 1108942895 /nfs/dbraw/zinc/94/28/95/1108942895.db2.gz BYQCKBNQIDEKIU-IBGZPJMESA-N 1 0 337.471 2.793 20 10 EFCDRO COCc1ccc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000898449738 1108943009 /nfs/dbraw/zinc/94/30/09/1108943009.db2.gz JRKMDVJZGCAHKT-IBGZPJMESA-N 1 0 331.460 2.885 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cnc3ccccn23)N(C)C)cc1 ZINC000898450850 1108944184 /nfs/dbraw/zinc/94/41/84/1108944184.db2.gz FZYHXOIEUZYHBJ-IBGZPJMESA-N 1 0 337.471 2.793 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cn3ccccc3n2)N(C)C)cc1 ZINC000898451837 1108944937 /nfs/dbraw/zinc/94/49/37/1108944937.db2.gz OXSJXJKDKMWHDS-IBGZPJMESA-N 1 0 337.471 2.793 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+](C)C)cc1 ZINC000898448043 1108949095 /nfs/dbraw/zinc/94/90/95/1108949095.db2.gz OLQOTWPPZYTFSU-ZNBHLAFESA-N 1 0 330.520 2.570 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccc(Cl)nn2)N(C)C)cc1 ZINC000898447387 1108949516 /nfs/dbraw/zinc/94/95/16/1108949516.db2.gz JBCJGRLSGRLNNR-INIZCTEOSA-N 1 0 333.867 2.589 20 10 EFCDRO CN(C)c1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+](C)C)cc1 ZINC000898448041 1108949764 /nfs/dbraw/zinc/94/97/64/1108949764.db2.gz OLQOTWPPZYTFSU-QZNYNHHHSA-N 1 0 330.520 2.570 20 10 EFCDRO Cc1cccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1O ZINC000898724628 1109066154 /nfs/dbraw/zinc/06/61/54/1109066154.db2.gz OWPKYPDGEJJMOE-GFCCVEGCSA-N 1 0 336.233 2.764 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3CCCC[C@@H]32)[NH+](C)C)cc1 ZINC000899097805 1109200185 /nfs/dbraw/zinc/20/01/85/1109200185.db2.gz HGGJGVSJZIOSAV-WDSOQIARSA-N 1 0 344.503 2.939 20 10 EFCDRO CC[C@@H]1CCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101365 1109202096 /nfs/dbraw/zinc/20/20/96/1109202096.db2.gz JTUUNFOETMQLGN-AEFFLSMTSA-N 1 0 332.492 2.939 20 10 EFCDRO CC1=CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000899101398 1109202188 /nfs/dbraw/zinc/20/21/88/1109202188.db2.gz HSGNJKAIXBRIGB-GOSISDBHSA-N 1 0 330.476 2.717 20 10 EFCDRO CC1=CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000899101400 1109202317 /nfs/dbraw/zinc/20/23/17/1109202317.db2.gz HSGNJKAIXBRIGB-SFHVURJKSA-N 1 0 330.476 2.717 20 10 EFCDRO CCCN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CC1 ZINC000899105198 1109203932 /nfs/dbraw/zinc/20/39/32/1109203932.db2.gz VFDUIDYVNABPPU-SFHVURJKSA-N 1 0 332.492 2.939 20 10 EFCDRO CC(C)C1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899105836 1109204677 /nfs/dbraw/zinc/20/46/77/1109204677.db2.gz ZSRJDDGOLQUETN-GOSISDBHSA-N 1 0 332.492 2.653 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@H]3CCCC[NH2+]3)c2C)cc1 ZINC000237506852 1109785915 /nfs/dbraw/zinc/78/59/15/1109785915.db2.gz IZPPGAROLGQZDB-MRXNPFEDSA-N 1 0 341.455 2.975 20 10 EFCDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000730785447 1111289977 /nfs/dbraw/zinc/28/99/77/1111289977.db2.gz AXRZPZGWSQNQFT-OAHLLOKOSA-N 1 0 347.484 2.606 20 10 EFCDRO COc1cc(C)cc(C[NH+]2CCN(c3ccccc3O)CC2)c1O ZINC000153367050 1111380747 /nfs/dbraw/zinc/38/07/47/1111380747.db2.gz JXRWYGIFXWLUSV-UHFFFAOYSA-N 1 0 328.412 2.737 20 10 EFCDRO O=C1C[C@@]2(CN1CC(F)(F)F)CCCC[N@H+]2Cc1ccccc1O ZINC001272618288 1111751829 /nfs/dbraw/zinc/75/18/29/1111751829.db2.gz FFCWHRWBMBXLKO-MRXNPFEDSA-N 1 0 342.361 2.912 20 10 EFCDRO O=C1N(CC(F)F)CC[C@@]12CCC[N@@H+](Cc1ccccc1O)CC2 ZINC001272618168 1111752086 /nfs/dbraw/zinc/75/20/86/1111752086.db2.gz CFOJVKUTRIYBOF-SFHVURJKSA-N 1 0 338.398 2.862 20 10 EFCDRO CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@H+](Cc3ccccc3O)CC2)C1=O ZINC001272619738 1111755224 /nfs/dbraw/zinc/75/52/24/1111755224.db2.gz ZAZWOIRPLFRDGZ-FOIQADDNSA-N 1 0 344.455 2.574 20 10 EFCDRO COC(C)(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1ccccc1O)CC2 ZINC001272619712 1111755321 /nfs/dbraw/zinc/75/53/21/1111755321.db2.gz YMPJWAFWGHWKST-MRXNPFEDSA-N 1 0 346.471 2.536 20 10 EFCDRO CC[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC001272622282 1111758723 /nfs/dbraw/zinc/75/87/23/1111758723.db2.gz BVZASSUOJWRXFS-ZBFHGGJFSA-N 1 0 346.471 2.918 20 10 EFCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@]3(CC(=O)N(CC(C)C)C3=O)C2)c1 ZINC001272622452 1111759334 /nfs/dbraw/zinc/75/93/34/1111759334.db2.gz JZZBBFVVKBKSMR-FQEVSTJZSA-N 1 0 344.455 2.698 20 10 EFCDRO CCCCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(C)ccc1O)C2 ZINC001272622569 1111759420 /nfs/dbraw/zinc/75/94/20/1111759420.db2.gz NTODGDLRZHUAGS-FQEVSTJZSA-N 1 0 346.471 2.552 20 10 EFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)c1 ZINC001272623300 1111760697 /nfs/dbraw/zinc/76/06/97/1111760697.db2.gz ZECUEZAMPFSBBC-ZIAGYGMSSA-N 1 0 342.361 2.828 20 10 EFCDRO CC[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccc(OC)cc3O)C2)C1=O ZINC001272625286 1111764419 /nfs/dbraw/zinc/76/44/19/1111764419.db2.gz JWBROZOTCAYNKF-IFXJQAMLSA-N 1 0 332.444 2.624 20 10 EFCDRO CC[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3ccc(OC)cc3O)C2)C1=O ZINC001272625287 1111764630 /nfs/dbraw/zinc/76/46/30/1111764630.db2.gz JWBROZOTCAYNKF-KUHUBIRLSA-N 1 0 332.444 2.624 20 10 EFCDRO CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(OC)cc1O)CC2 ZINC001272625246 1111765575 /nfs/dbraw/zinc/76/55/75/1111765575.db2.gz JDPAWOSXGBLGDJ-KRWDZBQOSA-N 1 0 346.471 2.919 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@@]23CCN(CC(C)C)C3=O)c1O ZINC001272625100 1111765629 /nfs/dbraw/zinc/76/56/29/1111765629.db2.gz HWFYFDSDDSYMSO-IBGZPJMESA-N 1 0 332.444 2.624 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C)C3=O)CC2)c1O ZINC001272625206 1111765795 /nfs/dbraw/zinc/76/57/95/1111765795.db2.gz IOUHFDJBENNIAD-LJQANCHMSA-N 1 0 332.444 2.625 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@@]23CCN(C2CCCC2)C3=O)c1O ZINC001272625220 1111766281 /nfs/dbraw/zinc/76/62/81/1111766281.db2.gz ISHBBGOGLFQAJV-FQEVSTJZSA-N 1 0 344.455 2.910 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(C)C)c1O ZINC001272626293 1111768656 /nfs/dbraw/zinc/76/86/56/1111768656.db2.gz VUQOJISENZVNMD-HZPDHXFCSA-N 1 0 332.444 2.622 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@@]3(CCN(C4CCCC4)C3=O)C2)c1O ZINC001272626462 1111768863 /nfs/dbraw/zinc/76/88/63/1111768863.db2.gz YBRSOJIMFCOICR-HXUWFJFHSA-N 1 0 344.455 2.768 20 10 EFCDRO C[N@H+](CCC[NH3+])Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001235435527 1111772122 /nfs/dbraw/zinc/77/21/22/1111772122.db2.gz NIIHFCNQBMTGCG-UHFFFAOYSA-N 1 0 341.171 2.954 20 10 EFCDRO Cc1cc(Br)cc(CN2CC[NH2+]C[C@H]2C(C)C)c1O ZINC001235458123 1111775030 /nfs/dbraw/zinc/77/50/30/1111775030.db2.gz MJTBUVGYDQFTDF-AWEZNQCLSA-N 1 0 327.266 2.893 20 10 EFCDRO CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(OC)ccc1O)CC2 ZINC001272636902 1111786815 /nfs/dbraw/zinc/78/68/15/1111786815.db2.gz HCWGZOAGZUJPTG-QGZVFWFLSA-N 1 0 346.471 2.919 20 10 EFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(Cl)ccc2O)N1CC(F)F ZINC001272638801 1111797709 /nfs/dbraw/zinc/79/77/09/1111797709.db2.gz VNTNMZZGSUXYHN-CHWSQXEVSA-N 1 0 344.789 2.876 20 10 EFCDRO C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccccc1O ZINC000154208786 1111991556 /nfs/dbraw/zinc/99/15/56/1111991556.db2.gz DGJCFUKWNPCMBO-ZDUSSCGKSA-N 1 0 335.425 2.525 20 10 EFCDRO Oc1c(CNc2nccc(C3C[NH2+]C3)n2)cc(Cl)c2cccnc12 ZINC001168522033 1111992530 /nfs/dbraw/zinc/99/25/30/1111992530.db2.gz NMZXBRQCUPMXCZ-UHFFFAOYSA-N 1 0 341.802 2.683 20 10 EFCDRO Oc1c(CNc2cc3c(nn2)C[NH2+]C3)cc(Cl)c2cccnc12 ZINC001168522962 1112014787 /nfs/dbraw/zinc/01/47/87/1112014787.db2.gz XHYLCRCHUXAFOJ-UHFFFAOYSA-N 1 0 327.775 2.599 20 10 EFCDRO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@]12CCN(Cc1ccc(N(C)C)cc1)C2=O ZINC001272699263 1118248559 /nfs/dbraw/zinc/24/85/59/1118248559.db2.gz FAXKEVXVUGBBRY-PLMTUMEDSA-N 1 0 341.499 2.976 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000182451318 1118608643 /nfs/dbraw/zinc/60/86/43/1118608643.db2.gz WLSYGACDAQBIRG-LBPRGKRZSA-N 1 0 342.395 2.893 20 10 EFCDRO Cc1ccc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c(O)c1O ZINC000182454961 1118609676 /nfs/dbraw/zinc/60/96/76/1118609676.db2.gz YWKBPHUWDISDCX-UHFFFAOYSA-N 1 0 332.444 2.743 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC3CC3)C2)cc1 ZINC000995238819 1118828541 /nfs/dbraw/zinc/82/85/41/1118828541.db2.gz YAJSNPNZBLDJER-XJKSGUPXSA-N 1 0 343.431 2.747 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CSC)CC2(C)C)cc1C ZINC000995423033 1119817502 /nfs/dbraw/zinc/81/75/02/1119817502.db2.gz CAGQLTRVDTVXEX-MRXNPFEDSA-N 1 0 336.501 2.693 20 10 EFCDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001272741637 1120189010 /nfs/dbraw/zinc/18/90/10/1120189010.db2.gz FCZRHJPOMXVKLK-OAHLLOKOSA-N 1 0 335.879 2.754 20 10 EFCDRO CC[C@@H](OC)C(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C(C)(C)C1 ZINC000995547486 1120260827 /nfs/dbraw/zinc/26/08/27/1120260827.db2.gz WKIWCWJMERAIJA-SJLPKXTDSA-N 1 0 348.487 2.755 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000176637008 529779853 /nfs/dbraw/zinc/77/98/53/529779853.db2.gz DVQHDCNPXDKUQA-FUHWJXTLSA-N 1 0 332.492 2.767 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000176636970 529780094 /nfs/dbraw/zinc/78/00/94/529780094.db2.gz DVQHDCNPXDKUQA-WMZOPIPTSA-N 1 0 332.492 2.767 20 10 EFCDRO CCC[NH2+][C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000296371213 283394932 /nfs/dbraw/zinc/39/49/32/283394932.db2.gz JYIARCAAUZMIOO-LPHOPBHVSA-N 1 0 347.503 2.648 20 10 EFCDRO Cc1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)c(C)n1-c1ccc(F)cc1 ZINC000262578023 240361005 /nfs/dbraw/zinc/36/10/05/240361005.db2.gz KRUOYYLIPXKSCO-HNNXBMFYSA-N 1 0 329.419 2.963 20 10 EFCDRO c1cc(C[NH2+]CC2(N3CCOCC3)CCCCC2)cc2c1OCC2 ZINC000077324333 238832384 /nfs/dbraw/zinc/83/23/84/238832384.db2.gz WHZOYLNSJSDOSV-UHFFFAOYSA-N 1 0 330.472 2.746 20 10 EFCDRO C[C@H](CCn1cccn1)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000158685311 239013986 /nfs/dbraw/zinc/01/39/86/239013986.db2.gz ACQWIOZUAMHELJ-QGZVFWFLSA-N 1 0 342.487 2.660 20 10 EFCDRO CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000163472441 239105620 /nfs/dbraw/zinc/10/56/20/239105620.db2.gz OFGMWIYWMISHOM-CQSZACIVSA-N 1 0 342.480 2.901 20 10 EFCDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000175861957 239286940 /nfs/dbraw/zinc/28/69/40/239286940.db2.gz FPJOOGMKEJISEL-HKUYNNGSSA-N 1 0 344.503 2.959 20 10 EFCDRO C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182875552 239545052 /nfs/dbraw/zinc/54/50/52/239545052.db2.gz WGYZDNUWUFKWJB-YBZQBRCDSA-N 1 0 344.455 2.880 20 10 EFCDRO COC(=O)C[C@@](C)([NH2+]Cc1ccc2c(c1)CCO2)c1ccncc1 ZINC000191902723 240012197 /nfs/dbraw/zinc/01/21/97/240012197.db2.gz BQSSCMPJCTWSAO-LJQANCHMSA-N 1 0 326.396 2.585 20 10 EFCDRO C[C@H](C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])N1CC[NH+](C)CC1 ZINC000192832440 240067598 /nfs/dbraw/zinc/06/75/98/240067598.db2.gz GSBKAHDGTPWICJ-VXGBXAGGSA-N 1 0 346.302 2.986 20 10 EFCDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cccc(O)c1O ZINC000192990589 240077909 /nfs/dbraw/zinc/07/79/09/240077909.db2.gz LOTMOYPARKRBEK-UHFFFAOYSA-N 1 0 340.423 2.740 20 10 EFCDRO CCOC1CC(C[NH2+][C@H](CC)c2ccccc2O)(N2CCOCC2)C1 ZINC000193396722 240104404 /nfs/dbraw/zinc/10/44/04/240104404.db2.gz UIJCXOVPEMKNPS-KGXSXCIVSA-N 1 0 348.487 2.703 20 10 EFCDRO CCOC1CC(C[NH2+][C@H](C)c2cc(C)ccc2O)(N2CCOCC2)C1 ZINC000193407724 240105368 /nfs/dbraw/zinc/10/53/68/240105368.db2.gz IMLQDEPXNIQZSX-ZRZPHAQCSA-N 1 0 348.487 2.621 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCCN(c3ccccc3)CC1)OCO2 ZINC000193432929 240107661 /nfs/dbraw/zinc/10/76/61/240107661.db2.gz NBXABTAQUHLVMA-UHFFFAOYSA-N 1 0 326.396 2.833 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000193504506 240110149 /nfs/dbraw/zinc/11/01/49/240110149.db2.gz JLBBSRZFVFHAPW-VXGBXAGGSA-N 1 0 332.366 2.936 20 10 EFCDRO C[C@H]([NH3+])CCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000193320988 240095742 /nfs/dbraw/zinc/09/57/42/240095742.db2.gz GUKKSBGBYUDQIM-STQMWFEESA-N 1 0 341.402 2.500 20 10 EFCDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)CN1CCOCC1)c1ccccc1O ZINC000183508417 299351466 /nfs/dbraw/zinc/35/14/66/299351466.db2.gz RDQHBKJVJZNTIY-HKUYNNGSSA-N 1 0 340.467 2.986 20 10 EFCDRO CSCC[C@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000195138923 240204604 /nfs/dbraw/zinc/20/46/04/240204604.db2.gz FMWHULFTINUPCE-KRWDZBQOSA-N 1 0 335.517 2.716 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCCC[NH2+]1 ZINC000236918615 240236444 /nfs/dbraw/zinc/23/64/44/240236444.db2.gz IWTGYVFWMBVCGY-CYBMUJFWSA-N 1 0 341.249 2.645 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000236917611 240237233 /nfs/dbraw/zinc/23/72/33/240237233.db2.gz IWTGYVFWMBVCGY-ZDUSSCGKSA-N 1 0 341.249 2.645 20 10 EFCDRO COc1cccc(C[NH2+]Cc2cc(OC)c(OC)c(OC)c2)c1O ZINC000263655760 240389947 /nfs/dbraw/zinc/38/99/47/240389947.db2.gz FWKXPFVNCRDJOU-UHFFFAOYSA-N 1 0 333.384 2.716 20 10 EFCDRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)n1-c1ccccn1 ZINC000261665926 240317351 /nfs/dbraw/zinc/31/73/51/240317351.db2.gz CKKVOXNYOBSSSN-CALCHBBNSA-N 1 0 338.455 2.561 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)CC[NH+](C)C)ccc21 ZINC000264060011 240398107 /nfs/dbraw/zinc/39/81/07/240398107.db2.gz VUIBBNRDMUXDQS-CQSZACIVSA-N 1 0 345.487 2.975 20 10 EFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc4[nH]ncc43)c2)CC1 ZINC000274585396 240725514 /nfs/dbraw/zinc/72/55/14/240725514.db2.gz IDTRIGUDZBTQJJ-UHFFFAOYSA-N 1 0 349.438 2.957 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(N2CCOCC2)cc1 ZINC000280091977 240859334 /nfs/dbraw/zinc/85/93/34/240859334.db2.gz MLOMKRBUDDORGP-DNVCBOLYSA-N 1 0 340.471 2.985 20 10 EFCDRO C[S@](=O)C1(C[NH2+]Cc2cc(Br)ccc2O)CCC1 ZINC000280585397 240876009 /nfs/dbraw/zinc/87/60/09/240876009.db2.gz HXGVISLRJFMMDU-SFHVURJKSA-N 1 0 332.263 2.546 20 10 EFCDRO CCOCc1cc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)ccc1OC ZINC000288455350 241012048 /nfs/dbraw/zinc/01/20/48/241012048.db2.gz DIYMRRPOPIQFOU-YLJYHZDGSA-N 1 0 343.423 2.816 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1OC ZINC000290913859 241022591 /nfs/dbraw/zinc/02/25/91/241022591.db2.gz NHKBCNCTLBJNOL-MAUKXSAKSA-N 1 0 333.428 2.943 20 10 EFCDRO CN(C)c1ccc(C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)cc1F ZINC000294226129 241038003 /nfs/dbraw/zinc/03/80/03/241038003.db2.gz MCFPATOEOYOLOC-UHFFFAOYSA-N 1 0 329.375 2.512 20 10 EFCDRO Cc1ccc(C(=O)NCC[NH2+][C@H]2CCc3cccc(O)c32)cc1F ZINC000296057581 241075154 /nfs/dbraw/zinc/07/51/54/241075154.db2.gz RNQYABVKCYYVPC-INIZCTEOSA-N 1 0 328.387 2.847 20 10 EFCDRO C[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[N@@H+](C2CC2)C1 ZINC000297353254 241120759 /nfs/dbraw/zinc/12/07/59/241120759.db2.gz UUUUFSFUVPJDAW-CQSZACIVSA-N 1 0 348.466 2.517 20 10 EFCDRO CC[C@@H]([NH2+]CC1(OCCOC)CCOCC1)c1ccc(C)cc1O ZINC000296546241 241090679 /nfs/dbraw/zinc/09/06/79/241090679.db2.gz REVSSAZAUIVYBT-QGZVFWFLSA-N 1 0 337.460 2.954 20 10 EFCDRO O=C1c2ccccc2C(=O)N1CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297269333 241117853 /nfs/dbraw/zinc/11/78/53/241117853.db2.gz KOHDJOJYUYCONC-INIZCTEOSA-N 1 0 336.391 2.655 20 10 EFCDRO COc1ccc(O)c([C@H](C)[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000294731152 241049199 /nfs/dbraw/zinc/04/91/99/241049199.db2.gz GHLDTLUIJMIPSM-SOUVJXGZSA-N 1 0 340.423 2.743 20 10 EFCDRO Cc1cc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)ccc1N(C)C ZINC000294731688 241050570 /nfs/dbraw/zinc/05/05/70/241050570.db2.gz WGECWIGHQGKWSO-CQSZACIVSA-N 1 0 343.393 2.561 20 10 EFCDRO Cc1cc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)ccc1N(C)C ZINC000294731685 241050806 /nfs/dbraw/zinc/05/08/06/241050806.db2.gz WGECWIGHQGKWSO-AWEZNQCLSA-N 1 0 343.393 2.561 20 10 EFCDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000295776056 241062555 /nfs/dbraw/zinc/06/25/55/241062555.db2.gz APXGLVRPHFAVMJ-WBVHZDCISA-N 1 0 329.396 2.720 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNc3cncc(C)n3)cc2F)CC1 ZINC000302212202 241193397 /nfs/dbraw/zinc/19/33/97/241193397.db2.gz HEHYSJIJFOCOND-UHFFFAOYSA-N 1 0 329.423 2.678 20 10 EFCDRO CCc1cc(N2CCC([NH2+][C@H]3CCc4cccc(O)c43)CC2)ncn1 ZINC000297637486 241128438 /nfs/dbraw/zinc/12/84/38/241128438.db2.gz JQRMMYQCACBZDX-KRWDZBQOSA-N 1 0 338.455 2.991 20 10 EFCDRO CCCN(Cc1ccccc1O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297657354 241131685 /nfs/dbraw/zinc/13/16/85/241131685.db2.gz WBFQUDJLSUBYLI-ALOPSCKCSA-N 1 0 331.460 2.939 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccccc1O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000363256842 242274859 /nfs/dbraw/zinc/27/48/59/242274859.db2.gz PSVNTLCHWOQPQO-OXQOHEQNSA-N 1 0 326.440 2.771 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1O ZINC000363912901 242285400 /nfs/dbraw/zinc/28/54/00/242285400.db2.gz ZJMOWDJEAOWVHU-LBPRGKRZSA-N 1 0 335.835 2.852 20 10 EFCDRO Cc1cc(C(=O)N2CCC3(C2)CC[NH2+]CC3)c(C)n1-c1ccccn1 ZINC000362280360 242249958 /nfs/dbraw/zinc/24/99/58/242249958.db2.gz NEBIIGQMCGVTJD-UHFFFAOYSA-N 1 0 338.455 2.705 20 10 EFCDRO O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000367219737 242377185 /nfs/dbraw/zinc/37/71/85/242377185.db2.gz XZRHIWOOIRKKHK-HNNXBMFYSA-N 1 0 337.851 2.815 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1O ZINC000367659752 242387322 /nfs/dbraw/zinc/38/73/22/242387322.db2.gz WUNQIXOBTJYHLS-CXAGYDPISA-N 1 0 335.787 2.638 20 10 EFCDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000367681719 242388689 /nfs/dbraw/zinc/38/86/89/242388689.db2.gz DWNWUNXHVGJMDM-YLJYHZDGSA-N 1 0 329.488 2.582 20 10 EFCDRO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000367940018 242396947 /nfs/dbraw/zinc/39/69/47/242396947.db2.gz BJOPYJWCIVZKDK-RBUKOAKNSA-N 1 0 330.472 2.913 20 10 EFCDRO CCOCc1cc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)ccc1OC ZINC000378420263 242529040 /nfs/dbraw/zinc/52/90/40/242529040.db2.gz HAGUNONVFWXLAP-PKOBYXMFSA-N 1 0 335.444 2.659 20 10 EFCDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCCCSc1nccs1 ZINC000237884694 242837947 /nfs/dbraw/zinc/83/79/47/242837947.db2.gz GTESMCQRQZUHBX-YHWZYXNKSA-N 1 0 325.503 2.662 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccc(Br)cc1O ZINC000185110339 296146335 /nfs/dbraw/zinc/14/63/35/296146335.db2.gz NLOHBYCVKOUSDY-WDEREUQCSA-N 1 0 341.249 2.816 20 10 EFCDRO O=C1[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCCN1Cc1ccccn1 ZINC000296498353 285004267 /nfs/dbraw/zinc/00/42/67/285004267.db2.gz PZZDHEJGOXSALV-IAGOWNOFSA-N 1 0 337.423 2.555 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363913166 285101449 /nfs/dbraw/zinc/10/14/49/285101449.db2.gz GRGORBWZKHWUJZ-MJGOQNOKSA-N 1 0 344.503 2.911 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](C[NH3+])C3)c2C)cc1 ZINC000178568026 533210005 /nfs/dbraw/zinc/21/00/05/533210005.db2.gz WDDKZHOPHLDKSY-HNNXBMFYSA-N 1 0 327.428 2.524 20 10 EFCDRO CC[C@H]([NH2+][C@@H](C)C[S@](C)=O)c1cc(Br)ccc1O ZINC000119174464 221259365 /nfs/dbraw/zinc/25/93/65/221259365.db2.gz BSYXDILSKIPLNI-RPRQWQAVSA-N 1 0 334.279 2.962 20 10 EFCDRO [O-]c1c(Br)cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252667240 285380482 /nfs/dbraw/zinc/38/04/82/285380482.db2.gz HKDGIJYNKBDKLU-OLZOCXBDSA-N 1 0 325.250 2.871 20 10 EFCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)o1 ZINC000054179221 132190257 /nfs/dbraw/zinc/19/02/57/132190257.db2.gz KKUBPMPRZDBVDZ-MRXNPFEDSA-N 1 0 327.428 2.580 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccnc2N2CCOCC2)c1 ZINC000184986169 292165985 /nfs/dbraw/zinc/16/59/85/292165985.db2.gz XRFBIPGPEGTTDD-OAHLLOKOSA-N 1 0 327.428 2.783 20 10 EFCDRO Cc1ccc([C@@H](C[NH2+]Cc2cc(C)ccc2O)N2CCOCC2)o1 ZINC000113316476 544569066 /nfs/dbraw/zinc/56/90/66/544569066.db2.gz QAXHRNBGDMLWBQ-QGZVFWFLSA-N 1 0 330.428 2.765 20 10 EFCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000113327600 544569395 /nfs/dbraw/zinc/56/93/95/544569395.db2.gz AQTVNKKKGSLLKB-LBPRGKRZSA-N 1 0 325.767 2.714 20 10 EFCDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279792073 278184784 /nfs/dbraw/zinc/18/47/84/278184784.db2.gz CWHIGAXUBJNELA-GFCCVEGCSA-N 1 0 343.393 2.872 20 10 EFCDRO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000177853089 533690793 /nfs/dbraw/zinc/69/07/93/533690793.db2.gz AUZQNVKCHHOFPY-CQSZACIVSA-N 1 0 346.450 2.977 20 10 EFCDRO CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCCOC)c1ccc(C)cc1O ZINC000280093888 288062769 /nfs/dbraw/zinc/06/27/69/288062769.db2.gz MQPCFQHLAWWRSN-IRXDYDNUSA-N 1 0 336.476 2.919 20 10 EFCDRO CC(C)N1C[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)CC1=O ZINC000273461823 279556408 /nfs/dbraw/zinc/55/64/08/279556408.db2.gz IHLNBIPGOWWKLJ-CMPLNLGQSA-N 1 0 341.249 2.815 20 10 EFCDRO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185029005 289618875 /nfs/dbraw/zinc/61/88/75/289618875.db2.gz ORYMOXZWQBGUNB-NEPJUHHUSA-N 1 0 343.265 2.526 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)c1 ZINC000184964633 473285890 /nfs/dbraw/zinc/28/58/90/473285890.db2.gz MOVQUOYVIJTLCL-AWEZNQCLSA-N 1 0 348.468 2.802 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCNC(=O)c2ccccc2F)c1 ZINC000185100046 473327232 /nfs/dbraw/zinc/32/72/32/473327232.db2.gz FSOBRFUDXLBVSB-LBPRGKRZSA-N 1 0 332.375 2.621 20 10 EFCDRO C[C@@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1cc(F)ccc1O ZINC000185166137 473349033 /nfs/dbraw/zinc/34/90/33/473349033.db2.gz HLWQOTDJRIXERM-CQSZACIVSA-N 1 0 344.434 2.529 20 10 EFCDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000185181211 473353556 /nfs/dbraw/zinc/35/35/56/473353556.db2.gz DARNXMDMWRXSKL-CQSZACIVSA-N 1 0 328.412 2.676 20 10 EFCDRO COc1cc2c(cc1OC)C[N@H+](Cc1cc3c(cc1O)OCO3)CC2 ZINC000007076434 471590588 /nfs/dbraw/zinc/59/05/88/471590588.db2.gz HTFXSRSLQGIOAI-UHFFFAOYSA-N 1 0 343.379 2.696 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043239250 472212224 /nfs/dbraw/zinc/21/22/24/472212224.db2.gz DVRXFZWBZCOFCJ-SFHVURJKSA-N 1 0 339.439 2.808 20 10 EFCDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043239246 472212498 /nfs/dbraw/zinc/21/24/98/472212498.db2.gz DVRXFZWBZCOFCJ-GOSISDBHSA-N 1 0 339.439 2.808 20 10 EFCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)NC1CC1 ZINC000076118515 472276616 /nfs/dbraw/zinc/27/66/16/472276616.db2.gz FWDATNIOJPCSRM-SNVBAGLBSA-N 1 0 341.249 2.644 20 10 EFCDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)cc1C ZINC000057090875 472382062 /nfs/dbraw/zinc/38/20/62/472382062.db2.gz QNWNNPGUIDUUBB-UHFFFAOYSA-N 1 0 346.456 2.711 20 10 EFCDRO CCOc1cccc(C[NH2+]CCNC(=O)c2ccc(C)cc2)c1O ZINC000076714587 472389969 /nfs/dbraw/zinc/38/99/69/472389969.db2.gz KBINULQZUWGPAO-UHFFFAOYSA-N 1 0 328.412 2.619 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3cccnc3N(C)C)CC2)cc1 ZINC000154761453 472469490 /nfs/dbraw/zinc/46/94/90/472469490.db2.gz RBJKPZCYVHFHRM-UHFFFAOYSA-N 1 0 340.471 2.915 20 10 EFCDRO Cc1cc(O)c(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)cc1C ZINC000154982979 472492333 /nfs/dbraw/zinc/49/23/33/472492333.db2.gz YIPVDHITCZKFSM-QGZVFWFLSA-N 1 0 333.453 2.885 20 10 EFCDRO CC(C)[N@H+](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000070944524 472526983 /nfs/dbraw/zinc/52/69/83/472526983.db2.gz WZVAAZQVNYBCHW-IBGZPJMESA-N 1 0 347.503 2.600 20 10 EFCDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCCSc1nccs1 ZINC000089937319 472553693 /nfs/dbraw/zinc/55/36/93/472553693.db2.gz ZFGPSMCPEBWNGJ-OLZOCXBDSA-N 1 0 342.534 2.607 20 10 EFCDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000102416418 472577586 /nfs/dbraw/zinc/57/75/86/472577586.db2.gz QZDNGICMRJPJIX-LSDHHAIUSA-N 1 0 333.476 2.557 20 10 EFCDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC000130247860 472592360 /nfs/dbraw/zinc/59/23/60/472592360.db2.gz SMNYQLQICGFVFX-HZPDHXFCSA-N 1 0 325.836 2.798 20 10 EFCDRO CN1CCCc2cc(CNC(=O)NCCC3CC[NH+](C)CC3)ccc21 ZINC000103311730 472626637 /nfs/dbraw/zinc/62/66/37/472626637.db2.gz HXUDEIMXOQJQKO-UHFFFAOYSA-N 1 0 344.503 2.600 20 10 EFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046983822 472635540 /nfs/dbraw/zinc/63/55/40/472635540.db2.gz XIWYPMKBFGAKCS-RTBURBONSA-N 1 0 342.487 2.713 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000090591777 472640494 /nfs/dbraw/zinc/64/04/94/472640494.db2.gz SUCLGHOFWAJXOE-DOMZBBRYSA-N 1 0 343.393 2.957 20 10 EFCDRO C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090885052 472662682 /nfs/dbraw/zinc/66/26/82/472662682.db2.gz AWMBCHWRWIHTLU-KDOFPFPSSA-N 1 0 346.450 2.934 20 10 EFCDRO Cc1c(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cnn1C ZINC000090888229 472663768 /nfs/dbraw/zinc/66/37/68/472663768.db2.gz WXEAHCSJQOLEDR-CYBMUJFWSA-N 1 0 332.423 2.555 20 10 EFCDRO [NH3+]Cc1ccc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc1 ZINC000131494853 472673939 /nfs/dbraw/zinc/67/39/39/472673939.db2.gz KBBSMBBKUPLAPB-BJMVGYQFSA-N 1 0 337.423 2.634 20 10 EFCDRO OC[C@H](Cc1ccccc1)[NH2+]Cc1cc(Br)ccc1O ZINC000131502514 472674184 /nfs/dbraw/zinc/67/41/84/472674184.db2.gz QMRJMIQAPMRHBY-HNNXBMFYSA-N 1 0 336.229 2.848 20 10 EFCDRO COc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)ccn1 ZINC000131674276 472685775 /nfs/dbraw/zinc/68/57/75/472685775.db2.gz IFRYMHJFWNCWDK-HNNXBMFYSA-N 1 0 327.428 2.778 20 10 EFCDRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000131974350 472707218 /nfs/dbraw/zinc/70/72/18/472707218.db2.gz YWDBFIBSIJQUJE-AWEZNQCLSA-N 1 0 347.484 2.512 20 10 EFCDRO C[C@@](O)(C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1Cl ZINC000156670327 472738957 /nfs/dbraw/zinc/73/89/57/472738957.db2.gz RLCRAGXUSKFHSB-QGZVFWFLSA-N 1 0 335.787 2.772 20 10 EFCDRO COc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1O ZINC000105650239 472765845 /nfs/dbraw/zinc/76/58/45/472765845.db2.gz DXMLROWOZJLAHI-KRWDZBQOSA-N 1 0 340.423 2.682 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000120995930 472780312 /nfs/dbraw/zinc/78/03/12/472780312.db2.gz XJPIFRMDXOIEDK-ZDUSSCGKSA-N 1 0 341.249 2.597 20 10 EFCDRO COC(=O)[C@@H](C)Oc1ccc(C[N@H+](C)Cc2ccccc2O)cc1 ZINC000091974654 472835169 /nfs/dbraw/zinc/83/51/69/472835169.db2.gz VXPNDLZVNJERIK-CQSZACIVSA-N 1 0 329.396 2.965 20 10 EFCDRO COc1cccc(CNC(=O)NCCCC[NH+]2CCC(C)CC2)c1O ZINC000073675883 472851931 /nfs/dbraw/zinc/85/19/31/472851931.db2.gz JFRNFYZUPZZTMD-UHFFFAOYSA-N 1 0 349.475 2.712 20 10 EFCDRO Oc1ccc(Br)cc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000133952633 472858529 /nfs/dbraw/zinc/85/85/29/472858529.db2.gz XGTDRNLDUDZOKE-AWEZNQCLSA-N 1 0 325.250 2.825 20 10 EFCDRO CC[N@H+](CCOCCOC)Cc1cc(Br)ccc1O ZINC000079471745 472870812 /nfs/dbraw/zinc/87/08/12/472870812.db2.gz COPLMQZEXXFYPY-UHFFFAOYSA-N 1 0 332.238 2.640 20 10 EFCDRO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1O ZINC000079474246 472871163 /nfs/dbraw/zinc/87/11/63/472871163.db2.gz FIOJMVUIWXKRDF-ZDUSSCGKSA-N 1 0 331.391 2.532 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000092189250 472871733 /nfs/dbraw/zinc/87/17/33/472871733.db2.gz FFCNLDJFSHBJNN-GOSISDBHSA-N 1 0 330.476 2.522 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000092189249 472872089 /nfs/dbraw/zinc/87/20/89/472872089.db2.gz FFCNLDJFSHBJNN-SFHVURJKSA-N 1 0 330.476 2.522 20 10 EFCDRO c1cc(N2CCOCC2)ccc1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000092218873 472878808 /nfs/dbraw/zinc/87/88/08/472878808.db2.gz OXLBPCKPXVHNBX-OAQYLSRUSA-N 1 0 343.515 2.974 20 10 EFCDRO Oc1ccc(Br)cc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000134200549 472884937 /nfs/dbraw/zinc/88/49/37/472884937.db2.gz GNXOFHLCWMVSHM-CQSZACIVSA-N 1 0 325.250 2.825 20 10 EFCDRO CS[C@H](C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158084197 472891007 /nfs/dbraw/zinc/89/10/07/472891007.db2.gz GPYIDBBEVIEBAJ-BXUZGUMPSA-N 1 0 342.892 2.878 20 10 EFCDRO CS[C@@H](C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158084342 472891172 /nfs/dbraw/zinc/89/11/72/472891172.db2.gz GPYIDBBEVIEBAJ-FZMZJTMJSA-N 1 0 342.892 2.878 20 10 EFCDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(OC)c2O)C1 ZINC000092400784 472907255 /nfs/dbraw/zinc/90/72/55/472907255.db2.gz RMVAFHXOBBDKLP-ZBFHGGJFSA-N 1 0 334.460 2.918 20 10 EFCDRO Cc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c(C)n1-c1ccccn1 ZINC000073987336 472916662 /nfs/dbraw/zinc/91/66/62/472916662.db2.gz YENSCEHMIDQINK-DLBZAZTESA-N 1 0 338.455 2.798 20 10 EFCDRO CS[C@@H]1CCCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000134607159 472937850 /nfs/dbraw/zinc/93/78/50/472937850.db2.gz NYRNVKXHCSFAJD-QGZVFWFLSA-N 1 0 335.517 2.586 20 10 EFCDRO C[C@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)[N@H+](C)C1CC1 ZINC000074100712 472941216 /nfs/dbraw/zinc/94/12/16/472941216.db2.gz NAACSPCXPQHHPR-CYBMUJFWSA-N 1 0 331.460 2.553 20 10 EFCDRO COc1cccc(C[N@@H+]2CCCN(C(=O)OCC(C)C)CC2)c1O ZINC000092754467 472978842 /nfs/dbraw/zinc/97/88/42/472978842.db2.gz BPVYTNGENXXNFJ-UHFFFAOYSA-N 1 0 336.432 2.701 20 10 EFCDRO Cn1nccc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000080202408 472995744 /nfs/dbraw/zinc/99/57/44/472995744.db2.gz QGQUMPGMJADALQ-HNNXBMFYSA-N 1 0 334.851 2.533 20 10 EFCDRO CCCO[C@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000108394531 473023298 /nfs/dbraw/zinc/02/32/98/473023298.db2.gz GIKYWNODGMZBON-IBGZPJMESA-N 1 0 347.503 2.650 20 10 EFCDRO CCOc1cccc(C[NH+]2CCN(c3cc(OC)ccn3)CC2)c1O ZINC000093079041 473039450 /nfs/dbraw/zinc/03/94/50/473039450.db2.gz OBYGCRRJFARVHJ-UHFFFAOYSA-N 1 0 343.427 2.517 20 10 EFCDRO CCCOc1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)c(O)c1 ZINC000093088234 473041732 /nfs/dbraw/zinc/04/17/32/473041732.db2.gz FTMHRWXNJZRSEI-UHFFFAOYSA-N 1 0 332.444 2.768 20 10 EFCDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)N3CCCCC3)CC2)cc1 ZINC000052465936 473110207 /nfs/dbraw/zinc/11/02/07/473110207.db2.gz AACLWMCKYCBAQU-KRWDZBQOSA-N 1 0 345.487 2.608 20 10 EFCDRO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)c1 ZINC000109770256 473120566 /nfs/dbraw/zinc/12/05/66/473120566.db2.gz SWELMVLFCZHCTF-ZDUSSCGKSA-N 1 0 344.411 2.868 20 10 EFCDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC000093613673 473125187 /nfs/dbraw/zinc/12/51/87/473125187.db2.gz IOUHJWHLHXCWLD-JKSUJKDBSA-N 1 0 325.836 2.798 20 10 EFCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000093647058 473130912 /nfs/dbraw/zinc/13/09/12/473130912.db2.gz MGCXUPAIDASPQQ-WBVHZDCISA-N 1 0 341.473 2.579 20 10 EFCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000093813398 473147076 /nfs/dbraw/zinc/14/70/76/473147076.db2.gz TUQXJSWUEPATBD-CQSZACIVSA-N 1 0 328.206 2.540 20 10 EFCDRO Cc1csc(=O)n1CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000123509708 473148503 /nfs/dbraw/zinc/14/85/03/473148503.db2.gz OWJBBSJNBIQWAN-INIZCTEOSA-N 1 0 348.468 2.605 20 10 EFCDRO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+](C)Cc1ccccc1O ZINC000111235641 473198600 /nfs/dbraw/zinc/19/86/00/473198600.db2.gz VJPQWCXKQHAQJE-PBHICJAKSA-N 1 0 340.423 2.853 20 10 EFCDRO C[C@H](C(=O)OC(C)(C)C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000150988619 473393306 /nfs/dbraw/zinc/39/33/06/473393306.db2.gz ADPZTWMFNLTKBL-OAHLLOKOSA-N 1 0 334.460 2.685 20 10 EFCDRO C[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])N1CC[NH+](C)CC1 ZINC000185365978 473407249 /nfs/dbraw/zinc/40/72/49/473407249.db2.gz GTWDTKVGDYTZFI-VXGBXAGGSA-N 1 0 346.302 2.986 20 10 EFCDRO C[C@H]([NH2+]CCSCCCO)c1cc(Br)ccc1O ZINC000185378365 473409749 /nfs/dbraw/zinc/40/97/49/473409749.db2.gz NKFIZLHPMNVTCY-JTQLQIEISA-N 1 0 334.279 2.921 20 10 EFCDRO COc1ncccc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151143940 473415769 /nfs/dbraw/zinc/41/57/69/473415769.db2.gz SJTWXTRMELUKBW-AWEZNQCLSA-N 1 0 345.418 2.917 20 10 EFCDRO COc1ccccc1N1CC[C@@H]([N@H+](C)Cc2ccccc2O)C1=O ZINC000151257161 473432034 /nfs/dbraw/zinc/43/20/34/473432034.db2.gz NRQJWFQCCVXRFH-MRXNPFEDSA-N 1 0 326.396 2.638 20 10 EFCDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000185487608 473440390 /nfs/dbraw/zinc/44/03/90/473440390.db2.gz ANKPXDAFYUNUKQ-ZMZPIMSZSA-N 1 0 335.375 2.933 20 10 EFCDRO COc1cccc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1O ZINC000178190324 473473733 /nfs/dbraw/zinc/47/37/33/473473733.db2.gz FGGVBAJERJVPLD-OAHLLOKOSA-N 1 0 332.444 2.672 20 10 EFCDRO C[C@H]([NH2+]CCNC(=O)C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178211474 473475916 /nfs/dbraw/zinc/47/59/16/473475916.db2.gz NYWBWBOZWFAYNH-AWEZNQCLSA-N 1 0 333.451 2.993 20 10 EFCDRO COCCN(C)c1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cn1 ZINC000191149933 473491477 /nfs/dbraw/zinc/49/14/77/473491477.db2.gz ZJODYRMUTUSGGM-UHFFFAOYSA-N 1 0 342.487 2.862 20 10 EFCDRO CCCn1ccnc1CCC[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000191278271 473523193 /nfs/dbraw/zinc/52/31/93/473523193.db2.gz NCYXOPIDAGDXPL-UHFFFAOYSA-N 1 0 331.416 2.792 20 10 EFCDRO C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000185871398 473535064 /nfs/dbraw/zinc/53/50/64/473535064.db2.gz ZCVKCHQQMIJOGF-LBPRGKRZSA-N 1 0 346.302 2.815 20 10 EFCDRO Nc1ccc(CC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000178731146 473549467 /nfs/dbraw/zinc/54/94/67/473549467.db2.gz KCFIKDARHTZJFN-UHFFFAOYSA-N 1 0 337.467 2.840 20 10 EFCDRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cc(Cl)ccc1O ZINC000186021419 473573266 /nfs/dbraw/zinc/57/32/66/473573266.db2.gz CCAKYJLDQUQCTK-KWQFWETISA-N 1 0 336.741 2.859 20 10 EFCDRO COC(=O)CC1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCOCC1 ZINC000152543801 473575348 /nfs/dbraw/zinc/57/53/48/473575348.db2.gz YYALVEXONJFKPK-UHFFFAOYSA-N 1 0 346.471 2.879 20 10 EFCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Cl)ccc1O ZINC000186081967 473586988 /nfs/dbraw/zinc/58/69/88/473586988.db2.gz WCACEHRCBFYRKM-BXUZGUMPSA-N 1 0 348.834 2.625 20 10 EFCDRO C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cc(Br)ccc1O ZINC000186088037 473588418 /nfs/dbraw/zinc/58/84/18/473588418.db2.gz OJKZNLCFNYBYLP-ONGXEEELSA-N 1 0 339.233 2.569 20 10 EFCDRO CCCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)[C@H]1CC[NH2+]C1 ZINC000178918297 473591222 /nfs/dbraw/zinc/59/12/22/473591222.db2.gz ATDGRHFXVCMCNT-INIZCTEOSA-N 1 0 326.444 2.703 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000186144134 473600036 /nfs/dbraw/zinc/60/00/36/473600036.db2.gz VVHBUHCVHKACNX-DGCLKSJQSA-N 1 0 330.350 2.905 20 10 EFCDRO C[C@@H]([NH2+]CC1(CO)CCOCC1)c1ccc(Br)cc1O ZINC000186149974 473601111 /nfs/dbraw/zinc/60/11/11/473601111.db2.gz QNGRCSOGRLVZRB-LLVKDONJSA-N 1 0 344.249 2.594 20 10 EFCDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 ZINC000179005503 473610350 /nfs/dbraw/zinc/61/03/50/473610350.db2.gz RTJBCYWYNJCUCV-MRXNPFEDSA-N 1 0 341.455 2.784 20 10 EFCDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000186224031 473621228 /nfs/dbraw/zinc/62/12/28/473621228.db2.gz JZPHMSQVWOYYHU-VIFPVBQESA-N 1 0 329.238 2.578 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NCC3=CC[NH2+]CC3)c2C)cc1 ZINC000186273657 473634995 /nfs/dbraw/zinc/63/49/95/473634995.db2.gz YALJANLMYRWKQZ-UHFFFAOYSA-N 1 0 339.439 2.752 20 10 EFCDRO CC[C@H]([NH2+]C1CCN(C(=O)CCOC)CC1)c1ccc(N(C)C)cc1 ZINC000127848636 473657247 /nfs/dbraw/zinc/65/72/47/473657247.db2.gz JMJLHOLTEAGDGR-IBGZPJMESA-N 1 0 347.503 2.821 20 10 EFCDRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000186354348 473658768 /nfs/dbraw/zinc/65/87/68/473658768.db2.gz BNEJXXOUCKRCJZ-SNVBAGLBSA-N 1 0 343.265 2.968 20 10 EFCDRO Cc1ncsc1/C=C/C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000186478561 473679621 /nfs/dbraw/zinc/67/96/21/473679621.db2.gz ZHXRWCLKKMRIEN-XVJNWHFHSA-N 1 0 327.453 2.984 20 10 EFCDRO Cc1ccc(NC(=O)c2ccc(C)c(O)c2O)c(OCC[NH+](C)C)c1 ZINC000179510788 473691846 /nfs/dbraw/zinc/69/18/46/473691846.db2.gz NWYSGPFHXRDGBB-UHFFFAOYSA-N 1 0 344.411 2.907 20 10 EFCDRO COc1cccc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)c1O ZINC000179531401 473693074 /nfs/dbraw/zinc/69/30/74/473693074.db2.gz FOKYRWPOABQECZ-UHFFFAOYSA-N 1 0 326.396 2.918 20 10 EFCDRO Cc1cc(N2CC[NH+](Cc3ccccc3O)CC2)nc(C(C)C)n1 ZINC000179554407 473693893 /nfs/dbraw/zinc/69/38/93/473693893.db2.gz BVWYMJFXYMNKJO-UHFFFAOYSA-N 1 0 326.444 2.936 20 10 EFCDRO Cc1cc(Br)cc(C[NH+]2CCC3(CC2)OCCO3)c1O ZINC000179665579 473706166 /nfs/dbraw/zinc/70/61/66/473706166.db2.gz PFYSSHKPRQICAV-UHFFFAOYSA-N 1 0 342.233 2.802 20 10 EFCDRO C[C@@H]([NH2+]CCC1(O)CCOCC1)c1cc(Br)ccc1O ZINC000287668439 473728366 /nfs/dbraw/zinc/72/83/66/473728366.db2.gz VRWMFDVGIHLRNX-LLVKDONJSA-N 1 0 344.249 2.737 20 10 EFCDRO CC[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cccc(Cl)c1[O-] ZINC000287688023 473734534 /nfs/dbraw/zinc/73/45/34/473734534.db2.gz NAVYGMMHIAMASI-ZDUSSCGKSA-N 1 0 331.865 2.911 20 10 EFCDRO CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287731528 473745885 /nfs/dbraw/zinc/74/58/85/473745885.db2.gz PDKQSEOFXURHFV-BBRMVZONSA-N 1 0 325.884 2.722 20 10 EFCDRO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1=O ZINC000179888759 473750292 /nfs/dbraw/zinc/75/02/92/473750292.db2.gz BUOKMEQQJHDNKB-ZFWWWQNUSA-N 1 0 326.396 2.857 20 10 EFCDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccc(O)c1O ZINC000186763633 473752537 /nfs/dbraw/zinc/75/25/37/473752537.db2.gz FNLOPLYWOGFWOS-INIZCTEOSA-N 1 0 326.396 2.665 20 10 EFCDRO CCN(CC)c1ccc(C[N@H+](CCO)C2CCN(C)CC2)cc1F ZINC000269357143 473784669 /nfs/dbraw/zinc/78/46/69/473784669.db2.gz NCAORUQXYCCHRJ-UHFFFAOYSA-N 1 0 337.483 2.560 20 10 EFCDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000186962325 473788326 /nfs/dbraw/zinc/78/83/26/473788326.db2.gz BPFKLZXPJZOGRN-UHFFFAOYSA-N 1 0 340.423 2.801 20 10 EFCDRO Cc1cccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1O ZINC000180082612 473793796 /nfs/dbraw/zinc/79/37/96/473793796.db2.gz LWKWCGKAKFQTGO-CQSZACIVSA-N 1 0 348.468 2.802 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)cc1 ZINC000187026719 473804814 /nfs/dbraw/zinc/80/48/14/473804814.db2.gz SGMJFTAWYDVDAL-OAHLLOKOSA-N 1 0 338.517 2.836 20 10 EFCDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cccc(O)c3O)C2)CC1 ZINC000187050854 473809484 /nfs/dbraw/zinc/80/94/84/473809484.db2.gz FFWZQUGRSFNWIE-HNNXBMFYSA-N 1 0 332.444 2.682 20 10 EFCDRO CN(CC1([NH+](C)C)CCC1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000187080884 473812983 /nfs/dbraw/zinc/81/29/83/473812983.db2.gz ZODCQZPCYUIRHS-UHFFFAOYSA-N 1 0 344.503 2.695 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCCC(=O)N(C)C)c1O ZINC000187097254 473817135 /nfs/dbraw/zinc/81/71/35/473817135.db2.gz ISXMCDWJFVAVLJ-NSHDSACASA-N 1 0 343.265 2.982 20 10 EFCDRO COCCN(C)CC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187143940 473824219 /nfs/dbraw/zinc/82/42/19/473824219.db2.gz MXCJTYYWRLCDKG-GFCCVEGCSA-N 1 0 345.281 2.692 20 10 EFCDRO Cc1cc(Br)cc(CN2CC[C@@H](C[NH+](C)C)C2)c1O ZINC000180230023 473833259 /nfs/dbraw/zinc/83/32/59/473833259.db2.gz GGCKISAZPWNTSE-LBPRGKRZSA-N 1 0 327.266 2.847 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCc3ccccc3[C@@H]2CO)cc1OC ZINC000180281856 473845825 /nfs/dbraw/zinc/84/58/25/473845825.db2.gz VVGSGBKEXVHKJQ-INIZCTEOSA-N 1 0 329.396 2.501 20 10 EFCDRO Cc1cc(Br)cc(C[NH2+]CC2([S@](C)=O)CCC2)c1O ZINC000281827209 473849603 /nfs/dbraw/zinc/84/96/03/473849603.db2.gz PMKHMNNKFMSQQL-IBGZPJMESA-N 1 0 346.290 2.854 20 10 EFCDRO C[S@@](=O)C1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000281866892 473864982 /nfs/dbraw/zinc/86/49/82/473864982.db2.gz VXULIDUUERVOGA-XMMPIXPASA-N 1 0 345.464 2.972 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC(=O)NCC2CC2)c1O ZINC000187530827 473882094 /nfs/dbraw/zinc/88/20/94/473882094.db2.gz VPVBZOALIGRRAN-JTQLQIEISA-N 1 0 341.249 2.640 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C[S@](C)=O)c1O ZINC000187540812 473882500 /nfs/dbraw/zinc/88/25/00/473882500.db2.gz LKISPBIXTZTTJJ-RAALSFIWSA-N 1 0 334.279 2.881 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCCOCCO)c1O ZINC000187535227 473883616 /nfs/dbraw/zinc/88/36/16/473883616.db2.gz NLFOWHJIWKQWGR-NSHDSACASA-N 1 0 332.238 2.513 20 10 EFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc4[nH]cnc43)c2)CC1 ZINC000274662424 473912866 /nfs/dbraw/zinc/91/28/66/473912866.db2.gz ZBHBXWPLWLUNAK-UHFFFAOYSA-N 1 0 349.438 2.957 20 10 EFCDRO C[N@H+](CCCNC(=O)/C=C/c1ccc(O)c(O)c1)Cc1ccccc1 ZINC000180606713 473918511 /nfs/dbraw/zinc/91/85/11/473918511.db2.gz WQYOJAMQSRSADK-PKNBQFBNSA-N 1 0 340.423 2.749 20 10 EFCDRO Cc1cc(Br)cc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)c1O ZINC000187826732 473928851 /nfs/dbraw/zinc/92/88/51/473928851.db2.gz XEQZCMOFEFGVLG-YPMLDQLKSA-N 1 0 334.279 2.662 20 10 EFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)CSC ZINC000187912264 473940773 /nfs/dbraw/zinc/94/07/73/473940773.db2.gz WERQQPLIJPYIMZ-LBPRGKRZSA-N 1 0 334.279 2.701 20 10 EFCDRO C[C@H]1CCC[C@](CNC(=O)/C=C/c2ccc(O)c(O)c2)([NH+](C)C)C1 ZINC000180691046 473943288 /nfs/dbraw/zinc/94/32/88/473943288.db2.gz ORTVUMBCRWKHLZ-JAXYUTGZSA-N 1 0 332.444 2.738 20 10 EFCDRO C[C@@H]1CCC[C@@](CNC(=O)/C=C/c2ccc(O)c(O)c2)([NH+](C)C)C1 ZINC000180690988 473943443 /nfs/dbraw/zinc/94/34/43/473943443.db2.gz ORTVUMBCRWKHLZ-URKVGPRGSA-N 1 0 332.444 2.738 20 10 EFCDRO CC[N@H+](C)Cc1cccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000180695628 473944760 /nfs/dbraw/zinc/94/47/60/473944760.db2.gz QWRSITSYERICMR-CSKARUKUSA-N 1 0 340.423 2.879 20 10 EFCDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180702211 473946322 /nfs/dbraw/zinc/94/63/22/473946322.db2.gz DEDBIMSELDNVIB-VEBHZGNUSA-N 1 0 332.444 2.594 20 10 EFCDRO CC[C@@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1ccccc1O ZINC000274805827 473966914 /nfs/dbraw/zinc/96/69/14/473966914.db2.gz WOYDKLPWCOUWMX-DOMZBBRYSA-N 1 0 343.349 2.617 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000180885676 473981189 /nfs/dbraw/zinc/98/11/89/473981189.db2.gz UVOUIBKOFJLJPC-VFADXPBXSA-N 1 0 342.395 2.657 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000180990974 473996055 /nfs/dbraw/zinc/99/60/55/473996055.db2.gz UNJLZTKMDXMHPC-SOFGYWHQSA-N 1 0 344.455 2.882 20 10 EFCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000264532550 474026848 /nfs/dbraw/zinc/02/68/48/474026848.db2.gz JUGUKYDZOIGOBR-OAHLLOKOSA-N 1 0 334.460 2.733 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c(O)c1 ZINC000288715582 474029659 /nfs/dbraw/zinc/02/96/59/474029659.db2.gz ZOBVHSYMGZPSTL-QFBILLFUSA-N 1 0 329.396 2.765 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1C ZINC000275032652 474049196 /nfs/dbraw/zinc/04/91/96/474049196.db2.gz SPONWPBILOCQOP-LBPRGKRZSA-N 1 0 330.350 2.509 20 10 EFCDRO COc1ccc(N2CCC[N@H+](CCO[C@@H]3CCCCO3)CC2)cc1 ZINC000181650509 474055435 /nfs/dbraw/zinc/05/54/35/474055435.db2.gz SSFNDXSHIRLDDJ-LJQANCHMSA-N 1 0 334.460 2.751 20 10 EFCDRO COCc1noc(CN(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000181972623 474073258 /nfs/dbraw/zinc/07/32/58/474073258.db2.gz ZBDHSYZGNYLCRU-UHFFFAOYSA-N 1 0 330.432 2.838 20 10 EFCDRO CNC(=O)CCC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000275299708 474135115 /nfs/dbraw/zinc/13/51/15/474135115.db2.gz HRNCDFBWAJASCZ-SNVBAGLBSA-N 1 0 329.238 2.640 20 10 EFCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c(O)c1 ZINC000282649639 474142750 /nfs/dbraw/zinc/14/27/50/474142750.db2.gz HTRAVFSBRMDIQH-QFBILLFUSA-N 1 0 349.471 2.838 20 10 EFCDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000289081723 474143638 /nfs/dbraw/zinc/14/36/38/474143638.db2.gz NWGPYFQEAMDIPR-MAUKXSAKSA-N 1 0 330.476 2.521 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2=O)c1 ZINC000182322358 474148876 /nfs/dbraw/zinc/14/88/76/474148876.db2.gz FRBDYIPBTKYRCA-CXAGYDPISA-N 1 0 326.396 2.857 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)c1 ZINC000182337458 474152385 /nfs/dbraw/zinc/15/23/85/474152385.db2.gz VYDNQFMRUYLEJG-ZDUSSCGKSA-N 1 0 335.425 2.525 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)c1 ZINC000182342836 474152798 /nfs/dbraw/zinc/15/27/98/474152798.db2.gz CXKKDLYCEDFHKZ-UONOGXRCSA-N 1 0 328.412 2.756 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)c1 ZINC000182342854 474153975 /nfs/dbraw/zinc/15/39/75/474153975.db2.gz CXKKDLYCEDFHKZ-ZIAGYGMSSA-N 1 0 328.412 2.756 20 10 EFCDRO CCNC(=O)COc1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000264956929 474161242 /nfs/dbraw/zinc/16/12/42/474161242.db2.gz MWFZEYFTBZAUNT-UHFFFAOYSA-N 1 0 348.830 2.850 20 10 EFCDRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000182385971 474163759 /nfs/dbraw/zinc/16/37/59/474163759.db2.gz RAWNJFWURXVTOM-MSOLQXFVSA-N 1 0 336.501 2.732 20 10 EFCDRO COC[C@H](CCO)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000275378011 474164461 /nfs/dbraw/zinc/16/44/61/474164461.db2.gz WYYVSDKSJJPIOC-PWSUYJOCSA-N 1 0 332.238 2.511 20 10 EFCDRO COc1ccc([C@@H](CCO)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)cc1 ZINC000182414104 474171701 /nfs/dbraw/zinc/17/17/01/474171701.db2.gz QLPJCQIATMCAOZ-GOSISDBHSA-N 1 0 347.386 2.956 20 10 EFCDRO O=C(COc1ccccc1C[NH2+]Cc1ccccc1O)NCC1CC1 ZINC000265288046 474172629 /nfs/dbraw/zinc/17/26/29/474172629.db2.gz YZJZMRXMPGFFOC-UHFFFAOYSA-N 1 0 340.423 2.587 20 10 EFCDRO COc1cc(O)c(C[NH2+]C[C@@](C)(O)c2cc(C)oc2C)cc1OC ZINC000182456533 474181530 /nfs/dbraw/zinc/18/15/30/474181530.db2.gz LQXRRLYGHVUIHR-GOSISDBHSA-N 1 0 335.400 2.617 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)c1 ZINC000182463299 474181718 /nfs/dbraw/zinc/18/17/18/474181718.db2.gz HYXJLQRKPPNDRB-ZDUSSCGKSA-N 1 0 328.412 2.953 20 10 EFCDRO CCCOc1ccc(CN2C[C@@H](CC)[S@](=O)[C@@H](C)C2)c(O)c1 ZINC000289209959 474184451 /nfs/dbraw/zinc/18/44/51/474184451.db2.gz BXUKXTXYTHNMBQ-JWCWZOIMSA-N 1 0 325.474 2.912 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000182501351 474191558 /nfs/dbraw/zinc/19/15/58/474191558.db2.gz PNVJRECKEUFQGR-QZTJIDSGSA-N 1 0 338.517 2.978 20 10 EFCDRO CC[NH+](CC)[C@H](C(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000182517560 474194177 /nfs/dbraw/zinc/19/41/77/474194177.db2.gz PFOATIUUHUPJJX-SFHVURJKSA-N 1 0 328.412 2.797 20 10 EFCDRO CC[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[NH+](CC)CC ZINC000265424152 474208031 /nfs/dbraw/zinc/20/80/31/474208031.db2.gz KCIXHQWOGOQWIV-LJQANCHMSA-N 1 0 347.503 2.602 20 10 EFCDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@@H](c3cncn3C)C2)c(O)c1 ZINC000275502811 474212896 /nfs/dbraw/zinc/21/28/96/474212896.db2.gz JUGXRBWTDHYCAM-HNAYVOBHSA-N 1 0 345.443 2.924 20 10 EFCDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccccc2O)[C@H]1c1ccc(F)c(F)c1 ZINC000270693517 474224167 /nfs/dbraw/zinc/22/41/67/474224167.db2.gz WLLPHYZWDUSRAT-CRAIPNDOSA-N 1 0 332.350 2.732 20 10 EFCDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000175557298 474249376 /nfs/dbraw/zinc/24/93/76/474249376.db2.gz LCQYRZFNSNPARR-OAHLLOKOSA-N 1 0 345.487 2.802 20 10 EFCDRO CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000289402024 474255713 /nfs/dbraw/zinc/25/57/13/474255713.db2.gz GPSOICWOJKDOLR-UHFFFAOYSA-N 1 0 337.420 2.617 20 10 EFCDRO NC(=O)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000182941748 474292920 /nfs/dbraw/zinc/29/29/20/474292920.db2.gz FSOOYLACHYWOPB-UHFFFAOYSA-N 1 0 340.423 2.669 20 10 EFCDRO COCCOCc1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000289496762 474297579 /nfs/dbraw/zinc/29/75/79/474297579.db2.gz SHXBRPGKBGHIOF-UHFFFAOYSA-N 1 0 331.412 2.854 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3ccccn3)CC2)cc1 ZINC000270896293 474310627 /nfs/dbraw/zinc/31/06/27/474310627.db2.gz IKKNYRWNPJKELM-KRWDZBQOSA-N 1 0 340.471 2.563 20 10 EFCDRO CC(C)(C)n1ncnc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000283172136 474326900 /nfs/dbraw/zinc/32/69/00/474326900.db2.gz POGHIYABVHLCCP-MRXNPFEDSA-N 1 0 344.459 2.920 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1 ZINC000289596983 474338458 /nfs/dbraw/zinc/33/84/58/474338458.db2.gz XNDJZYMYVVDRDT-AWEZNQCLSA-N 1 0 343.393 2.643 20 10 EFCDRO C[C@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(N2CCCCC2)cc1 ZINC000289630010 474352929 /nfs/dbraw/zinc/35/29/29/474352929.db2.gz FCFZPPLGIRCFQQ-INIZCTEOSA-N 1 0 343.475 2.502 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000289640880 474356614 /nfs/dbraw/zinc/35/66/14/474356614.db2.gz MHUROPOSTGUXMH-GXTWGEPZSA-N 1 0 333.350 2.784 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000265903772 474380149 /nfs/dbraw/zinc/38/01/49/474380149.db2.gz VWAZTYJKSQDNKW-AEFFLSMTSA-N 1 0 338.517 2.978 20 10 EFCDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000189408598 474388260 /nfs/dbraw/zinc/38/82/60/474388260.db2.gz GQCXXEZMVONFHT-VHSXEESVSA-N 1 0 329.238 2.672 20 10 EFCDRO COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3ccccc3O)C2=O)cc1 ZINC000183606400 474399817 /nfs/dbraw/zinc/39/98/17/474399817.db2.gz WHKWLRYCKNWNIW-KDOFPFPSSA-N 1 0 340.423 2.853 20 10 EFCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc(CO)o3)cc2F)C[C@H](C)O1 ZINC000266240130 474425886 /nfs/dbraw/zinc/42/58/86/474425886.db2.gz WXUFLLOFTGAIJT-OKILXGFUSA-N 1 0 348.418 2.814 20 10 EFCDRO COC(=O)CN(CC[C@@H]1CCC[N@@H+]1C)Cc1cc(Cl)ccc1O ZINC000271206695 474440840 /nfs/dbraw/zinc/44/08/40/474440840.db2.gz GLXQDZYSLXILPW-HNNXBMFYSA-N 1 0 340.851 2.505 20 10 EFCDRO OCC[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccccc1O ZINC000271253505 474459626 /nfs/dbraw/zinc/45/96/26/474459626.db2.gz FYVJFCZHIZENKH-UHFFFAOYSA-N 1 0 337.423 2.632 20 10 EFCDRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000289895288 474474882 /nfs/dbraw/zinc/47/48/82/474474882.db2.gz UAQUEZOXYSKRKP-HZPDHXFCSA-N 1 0 341.430 2.915 20 10 EFCDRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000289895277 474475514 /nfs/dbraw/zinc/47/55/14/474475514.db2.gz UAQUEZOXYSKRKP-CVEARBPZSA-N 1 0 341.430 2.915 20 10 EFCDRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000289895292 474475839 /nfs/dbraw/zinc/47/58/39/474475839.db2.gz UAQUEZOXYSKRKP-JKSUJKDBSA-N 1 0 341.430 2.915 20 10 EFCDRO Oc1cc2c(cc1C[NH+]1CCC(Oc3ccc(F)nc3)CC1)OCO2 ZINC000189831553 474490819 /nfs/dbraw/zinc/49/08/19/474490819.db2.gz UKQCNNRRZIUADG-UHFFFAOYSA-N 1 0 346.358 2.698 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOCC(F)(F)C(F)F)c1 ZINC000189844231 474493287 /nfs/dbraw/zinc/49/32/87/474493287.db2.gz OROZAZDNSFGHJK-VIFPVBQESA-N 1 0 325.302 2.968 20 10 EFCDRO CCOc1cccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1O ZINC000289958422 474501516 /nfs/dbraw/zinc/50/15/16/474501516.db2.gz YFYQTLNBUCEYFI-UHFFFAOYSA-N 1 0 331.372 2.664 20 10 EFCDRO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000283818106 474504021 /nfs/dbraw/zinc/50/40/21/474504021.db2.gz CLQZAHFDHCWIMB-QGZVFWFLSA-N 1 0 330.428 2.802 20 10 EFCDRO O=S1(=O)CCC[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000290043369 474537639 /nfs/dbraw/zinc/53/76/39/474537639.db2.gz FZIVYPWOPKCTDO-QGZVFWFLSA-N 1 0 336.501 2.591 20 10 EFCDRO CCOCc1cc(C[NH2+]C[C@H](O)Cc2ccccc2)ccc1OC ZINC000290154554 474559134 /nfs/dbraw/zinc/55/91/34/474559134.db2.gz PISDHZZXHROTTK-LJQANCHMSA-N 1 0 329.440 2.925 20 10 EFCDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCCSc1nccs1 ZINC000242339142 474559591 /nfs/dbraw/zinc/55/95/91/474559591.db2.gz ZFGPSMCPEBWNGJ-QWHCGFSZSA-N 1 0 342.534 2.607 20 10 EFCDRO COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000271470800 474562998 /nfs/dbraw/zinc/56/29/98/474562998.db2.gz HCQZHTYRKCMMPI-BUXKBTBVSA-N 1 0 345.395 2.995 20 10 EFCDRO Cc1noc(CCC[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)n1 ZINC000271496030 474571900 /nfs/dbraw/zinc/57/19/00/474571900.db2.gz PWQGXIFBQUAQSH-ZDUSSCGKSA-N 1 0 348.422 2.637 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CCCN(CC(F)F)CC2)c1O ZINC000290645565 474580831 /nfs/dbraw/zinc/58/08/31/474580831.db2.gz YTCZXSRTNLZHJE-UHFFFAOYSA-N 1 0 334.794 2.827 20 10 EFCDRO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1O ZINC000271649449 474582938 /nfs/dbraw/zinc/58/29/38/474582938.db2.gz IRVJINZAUBTCEB-WMZOPIPTSA-N 1 0 326.440 2.944 20 10 EFCDRO Cc1cc(Br)cc(CN2CC[S@](=O)[C@@H](C)[C@@H]2C)c1O ZINC000271741482 474587443 /nfs/dbraw/zinc/58/74/43/474587443.db2.gz ABKQKYMURKMTFV-ADWYPQAOSA-N 1 0 346.290 2.804 20 10 EFCDRO CC1CC[NH+](CC(=O)NCc2cccc(Br)c2O)CC1 ZINC000277492915 474587660 /nfs/dbraw/zinc/58/76/60/474587660.db2.gz JNFNNKRUFNUMNC-UHFFFAOYSA-N 1 0 341.249 2.503 20 10 EFCDRO Cc1cc(Br)cc(CN2CC[S@](=O)[C@@H](C)[C@H]2C)c1O ZINC000271741487 474587918 /nfs/dbraw/zinc/58/79/18/474587918.db2.gz ABKQKYMURKMTFV-FDMGOTLNSA-N 1 0 346.290 2.804 20 10 EFCDRO COCCOC[C@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184699958 474588706 /nfs/dbraw/zinc/58/87/06/474588706.db2.gz KSPABZCFKGFNMG-LBPRGKRZSA-N 1 0 329.824 2.539 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCN(C(C)=O)C3(CCCCC3)C2)c1 ZINC000271750706 474589582 /nfs/dbraw/zinc/58/95/82/474589582.db2.gz BSKXJXISLNROAQ-UHFFFAOYSA-N 1 0 332.444 2.768 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)cc1OC ZINC000271792836 474592532 /nfs/dbraw/zinc/59/25/32/474592532.db2.gz HGDREZATUJMDPW-ADLMAVQZSA-N 1 0 335.375 2.760 20 10 EFCDRO CCCOc1ccc(C[NH+]2CCN(Cc3ccncc3)CC2)c(O)c1 ZINC000184713257 474592944 /nfs/dbraw/zinc/59/29/44/474592944.db2.gz WYUAGDHKVHLGPZ-UHFFFAOYSA-N 1 0 341.455 2.894 20 10 EFCDRO Cc1cccc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)c1O ZINC000271820572 474596050 /nfs/dbraw/zinc/59/60/50/474596050.db2.gz CEIVRAZVZROFBL-UHFFFAOYSA-N 1 0 328.412 2.943 20 10 EFCDRO Cc1cc(Br)cc(C[NH2+]C[C@](C)(O)C(F)(F)F)c1O ZINC000271858831 474596792 /nfs/dbraw/zinc/59/67/92/474596792.db2.gz VJLLAKDRXJWJFG-NSHDSACASA-N 1 0 342.155 2.866 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000271871323 474597243 /nfs/dbraw/zinc/59/72/43/474597243.db2.gz XTMCQUFWQRIHGF-HNNXBMFYSA-N 1 0 326.396 2.575 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1O ZINC000291272292 474599336 /nfs/dbraw/zinc/59/93/36/474599336.db2.gz NWIFEWRWEBSAQH-FQEVSTJZSA-N 1 0 327.424 2.927 20 10 EFCDRO Oc1cc2c(cc1C[NH+]1CCC(Oc3ncccc3F)CC1)OCO2 ZINC000278134252 474601655 /nfs/dbraw/zinc/60/16/55/474601655.db2.gz VKLXXGKEUNGZMB-UHFFFAOYSA-N 1 0 346.358 2.698 20 10 EFCDRO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000278253316 474605422 /nfs/dbraw/zinc/60/54/22/474605422.db2.gz PMCNZHDRATVVGL-UHFFFAOYSA-N 1 0 332.356 2.950 20 10 EFCDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000272404795 474610482 /nfs/dbraw/zinc/61/04/82/474610482.db2.gz JVSBBBPNXNJXMS-FZKQIMNGSA-N 1 0 337.416 2.621 20 10 EFCDRO Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c(C)n1-c1ccccn1 ZINC000272481251 474613293 /nfs/dbraw/zinc/61/32/93/474613293.db2.gz MCWFSSSIKCBSJX-SJLPKXTDSA-N 1 0 338.455 2.655 20 10 EFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272493774 474614205 /nfs/dbraw/zinc/61/42/05/474614205.db2.gz RXNQTZGUGZHJQY-LKUPDRCFSA-N 1 0 338.407 2.502 20 10 EFCDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(N(C)C)cc1 ZINC000267200801 474616151 /nfs/dbraw/zinc/61/61/51/474616151.db2.gz ONNAKSPCMHJFRL-UHFFFAOYSA-N 1 0 331.420 2.768 20 10 EFCDRO C[N@@H+]1CC[C@H]2CCN(Cc3cc(Br)ccc3O)[C@@H]2C1 ZINC000272551524 474617372 /nfs/dbraw/zinc/61/73/72/474617372.db2.gz DAAGQNIRDMXMCT-SMDDNHRTSA-N 1 0 325.250 2.681 20 10 EFCDRO C[C@@H]([NH2+]CCCN1CCOCC1)c1cc(Br)ccc1O ZINC000184837689 474617966 /nfs/dbraw/zinc/61/79/66/474617966.db2.gz DUBIQYYMTGRCBX-GFCCVEGCSA-N 1 0 343.265 2.528 20 10 EFCDRO CN1CCCc2cc(CNC(=O)NCC3(C)CC[NH+](C)CC3)ccc21 ZINC000272685405 474622672 /nfs/dbraw/zinc/62/26/72/474622672.db2.gz UJASVMWRLXIOMS-UHFFFAOYSA-N 1 0 344.503 2.600 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)CN1CCN(c2ccccn2)CC1)c1ccccc1O ZINC000272803986 474625231 /nfs/dbraw/zinc/62/52/31/474625231.db2.gz BXAXVFZMFJXLTK-DLBZAZTESA-N 1 0 340.471 2.649 20 10 EFCDRO COc1c(O)c(C[N@@H+]2CCC[C@]2(CO)CC(C)C)ccc1[N+](=O)[O-] ZINC000278390229 474631102 /nfs/dbraw/zinc/63/11/02/474631102.db2.gz MVNUHEFIMMPPBQ-QGZVFWFLSA-N 1 0 338.404 2.682 20 10 EFCDRO C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccccc1O ZINC000272893808 474636481 /nfs/dbraw/zinc/63/64/81/474636481.db2.gz TVOLSHGFQZQWOV-OAHLLOKOSA-N 1 0 340.423 2.715 20 10 EFCDRO COCCN(CC[NH2+][C@@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000272896705 474636975 /nfs/dbraw/zinc/63/69/75/474636975.db2.gz UHGBABSRPGNEGK-AWEZNQCLSA-N 1 0 338.448 2.926 20 10 EFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000278424420 474640994 /nfs/dbraw/zinc/64/09/94/474640994.db2.gz SAVZKVDFRJIECH-XHDPSFHLSA-N 1 0 333.350 2.926 20 10 EFCDRO CN(C)c1ccc(C[NH2+]CCCc2cnn(C)n2)c(C(F)(F)F)c1 ZINC000292864514 474682183 /nfs/dbraw/zinc/68/21/83/474682183.db2.gz CSJSXEJQSBKVDR-UHFFFAOYSA-N 1 0 341.381 2.622 20 10 EFCDRO CS(=O)(=O)CC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000291799276 474693022 /nfs/dbraw/zinc/69/30/22/474693022.db2.gz BSHAKTOQXUJVCZ-UHFFFAOYSA-N 1 0 333.453 2.802 20 10 EFCDRO COc1c([O-])c(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278563490 474705646 /nfs/dbraw/zinc/70/56/46/474705646.db2.gz BQLABCXFAPSHMU-ZDUSSCGKSA-N 1 0 337.420 2.663 20 10 EFCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H]1OCCc2sccc21 ZINC000291826533 474706328 /nfs/dbraw/zinc/70/63/28/474706328.db2.gz ZUNUKMQMVRTLMD-DYZYQPBXSA-N 1 0 333.409 2.975 20 10 EFCDRO COc1c(O)c(CNc2ccc(C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000278631996 474747413 /nfs/dbraw/zinc/74/74/13/474747413.db2.gz HBZXKRAPLSXIME-UHFFFAOYSA-N 1 0 331.372 2.983 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(C)n(C)c2=O)cc1F ZINC000278682212 474773521 /nfs/dbraw/zinc/77/35/21/474773521.db2.gz ICVBAYPHNYXCMR-UHFFFAOYSA-N 1 0 331.435 2.969 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268136292 474818473 /nfs/dbraw/zinc/81/84/73/474818473.db2.gz JNNORTFPJGXLJW-BEFAXECRSA-N 1 0 344.503 2.767 20 10 EFCDRO COCCOCCOCCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000284915081 474823416 /nfs/dbraw/zinc/82/34/16/474823416.db2.gz CVNAGCBJTCQZNT-INIZCTEOSA-N 1 0 325.449 2.729 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cc(F)ccc1O ZINC000273299155 474831986 /nfs/dbraw/zinc/83/19/86/474831986.db2.gz AUPCMAPMAHVMHW-ZDUSSCGKSA-N 1 0 331.391 2.614 20 10 EFCDRO CN(CCC[N@H+](C)Cc1cc2c(cc1O)OCO2)Cc1ccco1 ZINC000284985130 474852729 /nfs/dbraw/zinc/85/27/29/474852729.db2.gz CATPDTDDFPBAQS-UHFFFAOYSA-N 1 0 332.400 2.668 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(Br)cc1O ZINC000273382766 474872012 /nfs/dbraw/zinc/87/20/12/474872012.db2.gz IPUVJEOQPZYHBY-LHLIQPBNSA-N 1 0 328.128 2.729 20 10 EFCDRO COCCOCCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000273388069 474875441 /nfs/dbraw/zinc/87/54/41/474875441.db2.gz KCNPSAVKRWOZIW-NSHDSACASA-N 1 0 332.238 2.858 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000273391881 474877233 /nfs/dbraw/zinc/87/72/33/474877233.db2.gz KVJSBXUYQFYXIH-KBPBESRZSA-N 1 0 345.395 2.520 20 10 EFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000273391883 474877273 /nfs/dbraw/zinc/87/72/73/474877273.db2.gz KVJSBXUYQFYXIH-UONOGXRCSA-N 1 0 345.395 2.520 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000273435617 474896112 /nfs/dbraw/zinc/89/61/12/474896112.db2.gz WVQBPHBZOIOUFW-LBPRGKRZSA-N 1 0 335.425 2.655 20 10 EFCDRO C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1cc(Br)ccc1O ZINC000273443903 474900335 /nfs/dbraw/zinc/90/03/35/474900335.db2.gz DSVRCCMBRSHHQV-BONVTDFDSA-N 1 0 344.249 2.593 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)c(O)c1C ZINC000273466556 474913375 /nfs/dbraw/zinc/91/33/75/474913375.db2.gz JAQSYWRVXOIUJG-AAEUAGOBSA-N 1 0 330.350 2.823 20 10 EFCDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000285208735 474928631 /nfs/dbraw/zinc/92/86/31/474928631.db2.gz WVXNSNHLQFNXMI-OAHLLOKOSA-N 1 0 331.334 2.936 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)c(O)c1 ZINC000273506006 474934764 /nfs/dbraw/zinc/93/47/64/474934764.db2.gz ZMJIGWMRLLERJG-MAUKXSAKSA-N 1 0 339.439 2.937 20 10 EFCDRO CC[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1cc(Br)ccc1O ZINC000278952493 474937433 /nfs/dbraw/zinc/93/74/33/474937433.db2.gz ZKXLHSYHPGNDFY-VZJVUDMVSA-N 1 0 344.249 2.735 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(O)c1O ZINC000279425107 474975536 /nfs/dbraw/zinc/97/55/36/474975536.db2.gz YQYMDIZTGFTUNE-WMLDXEAASA-N 1 0 340.423 2.738 20 10 EFCDRO O=S(=O)(CCC[NH2+]Cc1ccccc1O)c1ccc(Cl)cc1 ZINC000293450861 474986070 /nfs/dbraw/zinc/98/60/70/474986070.db2.gz PKBXRBCXPKWHGA-UHFFFAOYSA-N 1 0 339.844 2.999 20 10 EFCDRO COc1ccc(N2CCN(CC[C@H]3CCCC[N@@H+]3C)CC2)cc1F ZINC000268454828 474988997 /nfs/dbraw/zinc/98/89/97/474988997.db2.gz JIODOPCPSVBDPF-MRXNPFEDSA-N 1 0 335.467 2.831 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000273622760 474993928 /nfs/dbraw/zinc/99/39/28/474993928.db2.gz ZOJGCTCLCDALJS-HUUCEWRRSA-N 1 0 334.460 2.950 20 10 EFCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H]1C ZINC000279840914 474995061 /nfs/dbraw/zinc/99/50/61/474995061.db2.gz HPSNNTLSGZMICI-IEZWGBDMSA-N 1 0 346.471 2.591 20 10 EFCDRO CCCCOC[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000279982549 475002218 /nfs/dbraw/zinc/00/22/18/475002218.db2.gz JVBUBPOYGXHWGX-MSOLQXFVSA-N 1 0 337.460 2.551 20 10 EFCDRO CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)c1ccc(C)cc1O ZINC000279961869 475002708 /nfs/dbraw/zinc/00/27/08/475002708.db2.gz CJUKAPQPDACQDW-KRWDZBQOSA-N 1 0 348.468 2.850 20 10 EFCDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280268984 475017934 /nfs/dbraw/zinc/01/79/34/475017934.db2.gz NBQMQJATBFNHKE-LLVKDONJSA-N 1 0 331.382 2.585 20 10 EFCDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280268988 475018010 /nfs/dbraw/zinc/01/80/10/475018010.db2.gz NBQMQJATBFNHKE-NSHDSACASA-N 1 0 331.382 2.585 20 10 EFCDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280347327 475019215 /nfs/dbraw/zinc/01/92/15/475019215.db2.gz SXCSHPXUAXBZPP-CYBMUJFWSA-N 1 0 343.393 2.729 20 10 EFCDRO CCCOc1ccc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c(O)c1 ZINC000280363253 475021060 /nfs/dbraw/zinc/02/10/60/475021060.db2.gz UPZKHHWXZSAEBO-IBGZPJMESA-N 1 0 335.444 2.951 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 ZINC000285457803 475025775 /nfs/dbraw/zinc/02/57/75/475025775.db2.gz JPLWPTHZTJQKQA-KRWDZBQOSA-N 1 0 330.476 2.522 20 10 EFCDRO CC(C)[C@@H]([NH2+]Cc1cc(Br)ccc1O)c1nncn1C ZINC000285608504 475032813 /nfs/dbraw/zinc/03/28/13/475032813.db2.gz VSWYRKFAGYSENR-CYBMUJFWSA-N 1 0 339.237 2.770 20 10 EFCDRO O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000285673168 475036439 /nfs/dbraw/zinc/03/64/39/475036439.db2.gz ZWNYJUPWTRSNAX-ZDUSSCGKSA-N 1 0 337.851 2.815 20 10 EFCDRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000285708625 475039579 /nfs/dbraw/zinc/03/95/79/475039579.db2.gz DDWCCDFDACUQPB-ROUUACIJSA-N 1 0 349.544 2.975 20 10 EFCDRO C[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000285718279 475039666 /nfs/dbraw/zinc/03/96/66/475039666.db2.gz PXTPBRZVOANWHU-XJKSGUPXSA-N 1 0 345.409 2.666 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC000285773386 475041224 /nfs/dbraw/zinc/04/12/24/475041224.db2.gz UDQNCPRWAXXWNA-DOMZBBRYSA-N 1 0 332.366 2.614 20 10 EFCDRO Cc1ccc([C@@H]([NH2+]Cc2ccccc2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280646691 475041889 /nfs/dbraw/zinc/04/18/89/475041889.db2.gz JDVMTVPQCHJZBW-KDOFPFPSSA-N 1 0 333.453 2.965 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3ccco3)CC2)cc1 ZINC000268833710 475045405 /nfs/dbraw/zinc/04/54/05/475045405.db2.gz OXZMIZDSBGUING-INIZCTEOSA-N 1 0 329.444 2.761 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(N2CCCCC2)cc1 ZINC000268854831 475045565 /nfs/dbraw/zinc/04/55/65/475045565.db2.gz CTAZANGKFXYQKC-BEFAXECRSA-N 1 0 328.460 2.795 20 10 EFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3cncs3)CC2)cc1 ZINC000268847212 475046047 /nfs/dbraw/zinc/04/60/47/475046047.db2.gz SANCWWYOQWNSES-HNNXBMFYSA-N 1 0 346.500 2.625 20 10 EFCDRO C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000268838955 475046569 /nfs/dbraw/zinc/04/65/69/475046569.db2.gz MRRSYSBGSZKGGZ-XLIONFOSSA-N 1 0 331.504 2.784 20 10 EFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)c1O ZINC000293671648 475047175 /nfs/dbraw/zinc/04/71/75/475047175.db2.gz JMVSFHCJOHLZDH-RTXFEEFZSA-N 1 0 344.249 2.654 20 10 EFCDRO CCNC(=O)[C@@H]([NH2+]Cc1cc(Br)cc(C)c1O)C(C)C ZINC000293708929 475049014 /nfs/dbraw/zinc/04/90/14/475049014.db2.gz SGNGLFVAWDLYFY-ZDUSSCGKSA-N 1 0 343.265 2.713 20 10 EFCDRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000268887326 475052119 /nfs/dbraw/zinc/05/21/19/475052119.db2.gz ZCMWSWIDAOITMO-WWMYMODYSA-N 1 0 345.531 2.714 20 10 EFCDRO COc1c([O-])c(C[NH2+]CCCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000293750738 475052506 /nfs/dbraw/zinc/05/25/06/475052506.db2.gz WTHIWVPUCLNWPY-UHFFFAOYSA-N 1 0 337.420 2.665 20 10 EFCDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000286487568 475068350 /nfs/dbraw/zinc/06/83/50/475068350.db2.gz JQEQJWMAMHQPEJ-VQHVLOKHSA-N 1 0 344.411 2.685 20 10 EFCDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000294684036 475078096 /nfs/dbraw/zinc/07/80/96/475078096.db2.gz BJENGCXEGHOVIS-LLVKDONJSA-N 1 0 337.338 2.857 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CSC[C@H]3C)CC2)cc1 ZINC000294777532 475082677 /nfs/dbraw/zinc/08/26/77/475082677.db2.gz NKZFCTJOCCPCPA-VQIMIIECSA-N 1 0 349.544 2.548 20 10 EFCDRO COc1cccc(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1O ZINC000294797156 475083234 /nfs/dbraw/zinc/08/32/34/475083234.db2.gz MOSNVCSBDABWCX-UHFFFAOYSA-N 1 0 326.396 2.664 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CSC[C@H]3C)CC2)cc1 ZINC000294777520 475083558 /nfs/dbraw/zinc/08/35/58/475083558.db2.gz NKZFCTJOCCPCPA-APWZRJJASA-N 1 0 349.544 2.548 20 10 EFCDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)C1 ZINC000281133340 475084757 /nfs/dbraw/zinc/08/47/57/475084757.db2.gz DBQYJOROBFXCSU-OJLVUWQFSA-N 1 0 333.428 2.882 20 10 EFCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1F ZINC000294837536 475085237 /nfs/dbraw/zinc/08/52/37/475085237.db2.gz QTJVSXQZSKVOOV-JKSUJKDBSA-N 1 0 341.430 2.673 20 10 EFCDRO COC1CCN(c2ccc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)cc2)CC1 ZINC000294868169 475088351 /nfs/dbraw/zinc/08/83/51/475088351.db2.gz AUXRXOFPKSAODY-NPMXOYFQSA-N 1 0 338.517 2.501 20 10 EFCDRO Cn1cc([C@H]2C[N@H+](Cc3cc(F)ccc3O)CC23CCOCC3)cn1 ZINC000295005513 475097180 /nfs/dbraw/zinc/09/71/80/475097180.db2.gz LPXWQGKSOOGODB-QGZVFWFLSA-N 1 0 345.418 2.661 20 10 EFCDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000287284451 475103464 /nfs/dbraw/zinc/10/34/64/475103464.db2.gz RRRGMOMIGSGJKJ-WMLDXEAASA-N 1 0 348.466 2.660 20 10 EFCDRO C[C@@H]([NH2+]CCNc1ccccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000269002502 475122283 /nfs/dbraw/zinc/12/22/83/475122283.db2.gz PQRQJFWYOUDHRQ-OAHLLOKOSA-N 1 0 344.434 2.820 20 10 EFCDRO CC[N@@H+]1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)[C@@H](C)C1 ZINC000295384252 475123311 /nfs/dbraw/zinc/12/33/11/475123311.db2.gz UGSOUSMHVKXEIQ-KRWDZBQOSA-N 1 0 331.504 2.828 20 10 EFCDRO Cc1ccc(O)c(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)c1 ZINC000281239771 475129538 /nfs/dbraw/zinc/12/95/38/475129538.db2.gz LRLUVAYTGAUTKK-UHFFFAOYSA-N 1 0 330.350 2.591 20 10 EFCDRO COc1cccc(C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1O ZINC000281266883 475144076 /nfs/dbraw/zinc/14/40/76/475144076.db2.gz YHQNVBZMXRTMNS-INIZCTEOSA-N 1 0 340.423 2.886 20 10 EFCDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)o1 ZINC000269071736 475160100 /nfs/dbraw/zinc/16/01/00/475160100.db2.gz XCVIIHGIFZSBPT-KBXCAEBGSA-N 1 0 348.418 2.948 20 10 EFCDRO CC[C@@H]([NH2+]CC(C)(C)OCCO)c1cc(Br)ccc1O ZINC000287489556 475169504 /nfs/dbraw/zinc/16/95/04/475169504.db2.gz XRKXMTVHOPSBOK-CYBMUJFWSA-N 1 0 346.265 2.983 20 10 EFCDRO COc1cccc(CNC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c1O ZINC000297542231 475800956 /nfs/dbraw/zinc/80/09/56/475800956.db2.gz JBKCYQQJBALLCM-INIZCTEOSA-N 1 0 349.475 2.711 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000350060214 476039836 /nfs/dbraw/zinc/03/98/36/476039836.db2.gz PXDDPVXHNUXHLZ-MRXNPFEDSA-N 1 0 338.455 2.642 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)CC[NH+]1CCCC1 ZINC000350286065 476120518 /nfs/dbraw/zinc/12/05/18/476120518.db2.gz JZWNDPAEXIYDSM-UHFFFAOYSA-N 1 0 328.460 2.724 20 10 EFCDRO Cc1csc(=O)n1CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298682678 476130193 /nfs/dbraw/zinc/13/01/93/476130193.db2.gz BBGJTBNTHDZINQ-UHFFFAOYSA-N 1 0 331.485 2.949 20 10 EFCDRO C[C@H](c1ccccc1)[N@H+](CCC(=O)NC(N)=O)Cc1ccccc1O ZINC000299582500 476144273 /nfs/dbraw/zinc/14/42/73/476144273.db2.gz HTTHZHMOSPVAIQ-CQSZACIVSA-N 1 0 341.411 2.540 20 10 EFCDRO COc1cc(O)c(C[NH2+][C@H]2CN(C)Cc3ccccc32)cc1OC ZINC000359892701 476271297 /nfs/dbraw/zinc/27/12/97/476271297.db2.gz AQJADLQQJQWQNR-INIZCTEOSA-N 1 0 328.412 2.686 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCc3nc(C)ncc3C2)c1O ZINC000359959864 476276387 /nfs/dbraw/zinc/27/63/87/476276387.db2.gz XLQYHEONWWDBCH-AWEZNQCLSA-N 1 0 333.819 2.800 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+][C@@]2(CO)CCc3ccccc32)c1O ZINC000359962602 476277484 /nfs/dbraw/zinc/27/74/84/476277484.db2.gz WCAZNIWIWDMDGH-GOSISDBHSA-N 1 0 333.815 2.978 20 10 EFCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCO[C@H]1C1CC1 ZINC000368769444 476369318 /nfs/dbraw/zinc/36/93/18/476369318.db2.gz ZQPCBMWISVEWIB-VQTJNVASSA-N 1 0 330.472 2.818 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)[C@H]3C[C@]34CC[NH2+]C4)cc2)CC1 ZINC000368815318 476374355 /nfs/dbraw/zinc/37/43/55/476374355.db2.gz BLHMHLWBNOEKFG-QUCCMNQESA-N 1 0 327.472 2.539 20 10 EFCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000373163766 476380128 /nfs/dbraw/zinc/38/01/28/476380128.db2.gz KLPFKAYIPZOIGZ-HIFRSBDPSA-N 1 0 342.233 2.582 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCc2nccn2C1 ZINC000368952861 476380887 /nfs/dbraw/zinc/38/08/87/476380887.db2.gz XVNCEWXPAQNEOK-KRWDZBQOSA-N 1 0 340.471 2.949 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000373257055 476389262 /nfs/dbraw/zinc/38/92/62/476389262.db2.gz RZYAMDIEUXBICS-CABCVRRESA-N 1 0 339.439 2.729 20 10 EFCDRO COc1c(O)c(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)ccc1[N+](=O)[O-] ZINC000369326487 476409993 /nfs/dbraw/zinc/40/99/93/476409993.db2.gz ICZGPYLOZQGNLH-CYBMUJFWSA-N 1 0 346.387 2.552 20 10 EFCDRO O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000374081924 476452808 /nfs/dbraw/zinc/45/28/08/476452808.db2.gz WEFRIJHYTUOCGT-JKSUJKDBSA-N 1 0 343.471 2.697 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000352126549 476524505 /nfs/dbraw/zinc/52/45/05/476524505.db2.gz VAWBYISWQLBOCT-IBGZPJMESA-N 1 0 325.456 2.977 20 10 EFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1O ZINC000374891155 476576689 /nfs/dbraw/zinc/57/66/89/476576689.db2.gz BQZYMOFMXRZAEZ-IBGZPJMESA-N 1 0 347.361 2.967 20 10 EFCDRO O=C1C[C@H]([NH2+]Cc2cc(F)ccc2O)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000374899389 476580400 /nfs/dbraw/zinc/58/04/00/476580400.db2.gz RVLOBCXQMYBRJR-KSZLIROESA-N 1 0 340.398 2.778 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000374931778 476601948 /nfs/dbraw/zinc/60/19/48/476601948.db2.gz PCTVCQOZWJICBC-IBGZPJMESA-N 1 0 330.472 2.772 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000374931785 476602011 /nfs/dbraw/zinc/60/20/11/476602011.db2.gz PCTVCQOZWJICBC-LJQANCHMSA-N 1 0 330.472 2.772 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000377851143 476612788 /nfs/dbraw/zinc/61/27/88/476612788.db2.gz IQRSSXRGCZQEEX-FQEVSTJZSA-N 1 0 345.414 2.967 20 10 EFCDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000378129272 476684279 /nfs/dbraw/zinc/68/42/79/476684279.db2.gz LPIBJWZGZFKMJN-HNNXBMFYSA-N 1 0 328.250 2.995 20 10 EFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)cc1 ZINC000370615257 476895376 /nfs/dbraw/zinc/89/53/76/476895376.db2.gz ATRKERPDGCKPIW-NVXWUHKLSA-N 1 0 327.476 2.806 20 10 EFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)cc1 ZINC000370615259 476895663 /nfs/dbraw/zinc/89/56/63/476895663.db2.gz ATRKERPDGCKPIW-WBVHZDCISA-N 1 0 327.476 2.806 20 10 EFCDRO Cc1cc(C[N@@H+](C)CC2(O)CCOCC2)ccc1N1CCCCC1 ZINC000408519763 476962130 /nfs/dbraw/zinc/96/21/30/476962130.db2.gz ZSDJNXMGAAQMQR-UHFFFAOYSA-N 1 0 332.488 2.959 20 10 EFCDRO CN(C)c1ccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1F ZINC000371469979 477339922 /nfs/dbraw/zinc/33/99/22/477339922.db2.gz HSVQXDUXNMXPKW-AYOQOUSVSA-N 1 0 335.467 2.575 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418100038 477465937 /nfs/dbraw/zinc/46/59/37/477465937.db2.gz OPAIYDMCYSOOOA-LSDHHAIUSA-N 1 0 328.460 2.674 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418097630 477466004 /nfs/dbraw/zinc/46/60/04/477466004.db2.gz KSLBNWXSQXGXEK-XYPWUTKMSA-N 1 0 340.471 2.911 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418099431 477466051 /nfs/dbraw/zinc/46/60/51/477466051.db2.gz NHWXUTOCXOEVAK-LJQANCHMSA-N 1 0 328.460 2.676 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000418096387 477466220 /nfs/dbraw/zinc/46/62/20/477466220.db2.gz IMQIHVOSJJVNKP-OAHLLOKOSA-N 1 0 328.460 2.770 20 10 EFCDRO C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413536652 477719673 /nfs/dbraw/zinc/71/96/73/477719673.db2.gz VXWOPQNKSSCNJS-ZNMIVQPWSA-N 1 0 331.460 2.739 20 10 EFCDRO CCOc1cccc(CN2CCNC(=O)[C@H]2c2ccccc2C)c1O ZINC000368114579 477786675 /nfs/dbraw/zinc/78/66/75/477786675.db2.gz AQHKUMRQOOZUIS-GOSISDBHSA-N 1 0 340.423 2.772 20 10 EFCDRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)C1 ZINC000368305719 477796910 /nfs/dbraw/zinc/79/69/10/477796910.db2.gz ZBUITTBBLZLGRA-FQEVSTJZSA-N 1 0 342.487 2.524 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000472221614 478012573 /nfs/dbraw/zinc/01/25/73/478012573.db2.gz IARCNDSIKAQKIX-PBHICJAKSA-N 1 0 342.487 2.968 20 10 EFCDRO CCN(CCC[NH+](C)C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472242258 478012654 /nfs/dbraw/zinc/01/26/54/478012654.db2.gz TXDPKEZLYYLBSD-UHFFFAOYSA-N 1 0 330.476 2.970 20 10 EFCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000481563187 478026483 /nfs/dbraw/zinc/02/64/83/478026483.db2.gz CPVGUYWEXISNCE-KRWDZBQOSA-N 1 0 339.414 2.812 20 10 EFCDRO Cc1ccc(O)c(CNc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000527765296 478508485 /nfs/dbraw/zinc/50/84/85/478508485.db2.gz UWWONUJQJLMBFC-UHFFFAOYSA-N 1 0 327.428 2.604 20 10 EFCDRO CCn1nncc1C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000527918644 478571576 /nfs/dbraw/zinc/57/15/76/478571576.db2.gz CHEQCVLEZLFBJG-SECBINFHSA-N 1 0 325.210 2.617 20 10 EFCDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 ZINC000564221442 478710431 /nfs/dbraw/zinc/71/04/31/478710431.db2.gz KBNQAPRTHZFEKW-QGZVFWFLSA-N 1 0 343.471 2.729 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC[C@H]3CCC[NH2+]3)ccc21 ZINC000565150805 478926587 /nfs/dbraw/zinc/92/65/87/478926587.db2.gz NGKPFXIEDDMZKP-QGZVFWFLSA-N 1 0 343.471 2.776 20 10 EFCDRO COc1cncc(/C=C\C(=O)N(CC[NH+](C)C)c2ccccc2)c1 ZINC000492402870 478968001 /nfs/dbraw/zinc/96/80/01/478968001.db2.gz BMLCGLQFQQQYBW-KTKRTIGZSA-N 1 0 325.412 2.698 20 10 EFCDRO CCC[NH2+]CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000576833235 479584192 /nfs/dbraw/zinc/58/41/92/479584192.db2.gz MGCJXIMRNJKVKH-UHFFFAOYSA-N 1 0 331.460 2.634 20 10 EFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000579215993 479674816 /nfs/dbraw/zinc/67/48/16/479674816.db2.gz YJOKSRKTPRIYLG-ARFHVFGLSA-N 1 0 340.471 2.674 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3CCCC[NH2+]3)ccc21 ZINC000647577988 481004173 /nfs/dbraw/zinc/00/41/73/481004173.db2.gz ZIQYFZFPUZRLDU-KRWDZBQOSA-N 1 0 343.471 2.776 20 10 EFCDRO COCCn1c(C)c(C)c2cc(C(=O)NC3CCC([NH3+])CC3)ccc21 ZINC000653046490 481044838 /nfs/dbraw/zinc/04/48/38/481044838.db2.gz AULMJCFRYMCLCN-UHFFFAOYSA-N 1 0 343.471 2.904 20 10 EFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)CCC[NH3+])CCCC1 ZINC000653144162 481106774 /nfs/dbraw/zinc/10/67/74/481106774.db2.gz FNLGGEJXCXFVQU-CQSZACIVSA-N 1 0 343.471 2.772 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCCOC[C@@H]3CCOC3)CC2)cc1 ZINC000158202283 534001176 /nfs/dbraw/zinc/00/11/76/534001176.db2.gz ZZQJEJIKMUURCG-KRWDZBQOSA-N 1 0 348.487 2.697 20 10 EFCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000172114572 534198148 /nfs/dbraw/zinc/19/81/48/534198148.db2.gz YUPFBPWACVUZOA-AWEZNQCLSA-N 1 0 348.468 2.802 20 10 EFCDRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000174640145 527061968 /nfs/dbraw/zinc/06/19/68/527061968.db2.gz SOGAQOIFWDWUAI-UHFFFAOYSA-N 1 0 338.517 2.980 20 10 EFCDRO CCC[N@H+](CC(=O)NCc1cccc(OC)c1)Cc1ccccc1O ZINC000174374412 527892917 /nfs/dbraw/zinc/89/29/17/527892917.db2.gz PZCSSEXTHXBHRQ-UHFFFAOYSA-N 1 0 342.439 2.929 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)N(C)CC[NH+](C)C)cc2)CC1 ZINC000176342553 528264185 /nfs/dbraw/zinc/26/41/85/528264185.db2.gz KVPWIGOSYHVBHE-UHFFFAOYSA-N 1 0 332.492 2.626 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000171046188 528302802 /nfs/dbraw/zinc/30/28/02/528302802.db2.gz OFDJNNGZLPKNFR-IBGZPJMESA-N 1 0 344.503 2.913 20 10 EFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)C3CC3)cc2F)CC1 ZINC000178480350 529153157 /nfs/dbraw/zinc/15/31/57/529153157.db2.gz RTBAPBIGZBVRAB-AWEZNQCLSA-N 1 0 333.451 2.630 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cnn(C)c1 ZINC000165169941 529183855 /nfs/dbraw/zinc/18/38/55/529183855.db2.gz QTMLJHOUFLTLTK-QGZVFWFLSA-N 1 0 332.423 2.637 20 10 EFCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)cc1F ZINC000369599924 535685907 /nfs/dbraw/zinc/68/59/07/535685907.db2.gz HAOFAULHFRTSQP-MRXNPFEDSA-N 1 0 345.466 2.774 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000193503712 535805915 /nfs/dbraw/zinc/80/59/15/535805915.db2.gz NKBUCKFWAMDGSY-GOSISDBHSA-N 1 0 347.484 2.641 20 10 EFCDRO CCc1nsc(NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)n1 ZINC000301500772 535913298 /nfs/dbraw/zinc/91/32/98/535913298.db2.gz FYUMHZMRODGZKA-UHFFFAOYSA-N 1 0 349.479 2.994 20 10 EFCDRO COC(=O)C[C@](C)([NH2+]Cc1ccc2c(c1)CCO2)c1ccncc1 ZINC000191902736 536360786 /nfs/dbraw/zinc/36/07/86/536360786.db2.gz BQSSCMPJCTWSAO-IBGZPJMESA-N 1 0 326.396 2.585 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N3C[C@H](C[NH3+])C[C@H]3C)c2C)cc1 ZINC000261869588 536550656 /nfs/dbraw/zinc/55/06/56/536550656.db2.gz SDIMKMZLVQQWNB-CJNGLKHVSA-N 1 0 341.455 2.912 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]([NH3+])C3CC3)c2C)cc1 ZINC000237506667 536551211 /nfs/dbraw/zinc/55/12/11/536551211.db2.gz AEYFHKQYUHJIFN-GOSISDBHSA-N 1 0 327.428 2.570 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)c2C)cc1 ZINC000262893784 536552271 /nfs/dbraw/zinc/55/22/71/536552271.db2.gz OUZRIAMIUXMLGO-BBRMVZONSA-N 1 0 341.455 2.973 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@@](C)(O)c3ccco3)CC2)cc1 ZINC000305118130 536669406 /nfs/dbraw/zinc/66/94/06/536669406.db2.gz GCYWXTXJAKHLTJ-LJQANCHMSA-N 1 0 330.428 2.754 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCCNC(=O)C3CCC3)CC2)cc1 ZINC000362304877 536669764 /nfs/dbraw/zinc/66/97/64/536669764.db2.gz ROLXFYDSRPZRQC-UHFFFAOYSA-N 1 0 345.487 2.560 20 10 EFCDRO COc1ccc(N2CCC([NH2+]CCCn3ccnc3C)CC2)cc1 ZINC000363827514 536670893 /nfs/dbraw/zinc/67/08/93/536670893.db2.gz PRRNHANEQHNAFD-UHFFFAOYSA-N 1 0 328.460 2.849 20 10 EFCDRO COc1ccc(N2CCC[N@H+](C[C@@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC000191954505 536671523 /nfs/dbraw/zinc/67/15/23/536671523.db2.gz ZWYSPMBIVQEOTN-SFHVURJKSA-N 1 0 344.455 2.693 20 10 EFCDRO COc1ccc(N2CCC[N@H+](C[C@@](C)(O)C(F)(F)F)CC2)cc1 ZINC000366824023 536672870 /nfs/dbraw/zinc/67/28/70/536672870.db2.gz MZSJJBCGWNIVEE-OAHLLOKOSA-N 1 0 332.366 2.521 20 10 EFCDRO COC1CCN(c2ccc(C[N@H+](C)CCNC(=O)C(C)C)cc2)CC1 ZINC000296359401 536756547 /nfs/dbraw/zinc/75/65/47/536756547.db2.gz RSZJPHRMBJXWJU-UHFFFAOYSA-N 1 0 347.503 2.506 20 10 EFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)C(C)(C)C3)cc2)CC1 ZINC000295734557 536757003 /nfs/dbraw/zinc/75/70/03/536757003.db2.gz MHBDBUNAUYQRBO-LJQANCHMSA-N 1 0 332.488 2.895 20 10 EFCDRO COc1cc(O)c(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1OC ZINC000293980108 536856200 /nfs/dbraw/zinc/85/62/00/536856200.db2.gz REZIMRLCQXUBES-HNNXBMFYSA-N 1 0 337.803 2.886 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1OC ZINC000367700356 536857135 /nfs/dbraw/zinc/85/71/35/536857135.db2.gz SQABPRBGPBJAOY-IBGZPJMESA-N 1 0 347.386 2.642 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[C@H](O)CC2)ccc1N1CCCCC1 ZINC000753852115 575352172 /nfs/dbraw/zinc/35/21/72/575352172.db2.gz XKADEZWOZOEIOA-WKILWMFISA-N 1 0 333.432 2.978 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C[C@H]1C ZINC000755919441 575656067 /nfs/dbraw/zinc/65/60/67/575656067.db2.gz DSMRIFJXSKRUFD-MLGOLLRUSA-N 1 0 329.396 2.795 20 10 EFCDRO COc1cccc(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2=O)c1O ZINC000756148892 575693259 /nfs/dbraw/zinc/69/32/59/575693259.db2.gz HBFUACBZFGHYRA-CQSZACIVSA-N 1 0 348.349 2.574 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]CCc2nnc3ccccn32)c2c1c(F)ccc2O ZINC000756365154 575723738 /nfs/dbraw/zinc/72/37/38/575723738.db2.gz XHQJYCOFBVUGNV-DGCLKSJQSA-N 1 0 326.375 2.955 20 10 EFCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cncn3)nc2)c2c1c(F)ccc2O ZINC000756430975 575738114 /nfs/dbraw/zinc/73/81/14/575738114.db2.gz LISXHADYMCIJRB-BXUZGUMPSA-N 1 0 339.374 2.845 20 10 EFCDRO CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000756434308 575738475 /nfs/dbraw/zinc/73/84/75/575738475.db2.gz LHGFAKVTANANDN-HNNXBMFYSA-N 1 0 342.439 2.985 20 10 EFCDRO CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000756433619 575738480 /nfs/dbraw/zinc/73/84/80/575738480.db2.gz FIZMEJPHUDQBIV-LBPRGKRZSA-N 1 0 332.375 2.507 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000756435130 575738979 /nfs/dbraw/zinc/73/89/79/575738979.db2.gz WJQIHTPIRYQYBF-LSDHHAIUSA-N 1 0 334.460 2.951 20 10 EFCDRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000756516867 575753127 /nfs/dbraw/zinc/75/31/27/575753127.db2.gz UAMNTKOASGXPGF-CQSZACIVSA-N 1 0 331.437 2.574 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1cc(Br)ccc1O ZINC000756706944 575779037 /nfs/dbraw/zinc/77/90/37/575779037.db2.gz RFVMMGQEOIAUIY-SNVBAGLBSA-N 1 0 341.249 2.864 20 10 EFCDRO COCCOC[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000756731440 575782046 /nfs/dbraw/zinc/78/20/46/575782046.db2.gz AKRMQSPXKMSZBL-WDEREUQCSA-N 1 0 332.238 2.857 20 10 EFCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)[C@H]1CN(C)CCO1 ZINC000756761882 575784632 /nfs/dbraw/zinc/78/46/32/575784632.db2.gz VOCHXMDITQXXFM-FIXISWKDSA-N 1 0 343.265 2.524 20 10 EFCDRO C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc(F)cc(F)c1[O-] ZINC000756764900 575785053 /nfs/dbraw/zinc/78/50/53/575785053.db2.gz LPVXDEVVJXZAKB-JECHBYEQSA-N 1 0 340.414 2.699 20 10 EFCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756774328 575785777 /nfs/dbraw/zinc/78/57/77/575785777.db2.gz IHQQNCWNGOSLFY-ZWKOPEQDSA-N 1 0 341.249 2.720 20 10 EFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c(O)c1C ZINC000756839044 575790778 /nfs/dbraw/zinc/79/07/78/575790778.db2.gz PTSGWRMMULNUNB-JDFRZJQESA-N 1 0 342.443 2.587 20 10 EFCDRO CC[N@H+](CCNC(=O)/C=C\c1ccc(O)c(O)c1)CCC(F)(F)F ZINC000757619016 575845506 /nfs/dbraw/zinc/84/55/06/575845506.db2.gz REAPYCPGWNGVSW-XQRVVYSFSA-N 1 0 346.349 2.502 20 10 EFCDRO CC1(C)OCC([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CO1 ZINC000758010281 575857943 /nfs/dbraw/zinc/85/79/43/575857943.db2.gz IKJSJFMVVKYVSD-UHFFFAOYSA-N 1 0 349.431 2.826 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3cccnc3-n3cccn3)cc2)CC1 ZINC000758459263 575870206 /nfs/dbraw/zinc/87/02/06/575870206.db2.gz YWGNEMDEOOJIOS-UHFFFAOYSA-N 1 0 348.454 2.631 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3nnc(C(F)F)s3)cc2)CC1 ZINC000759088303 575884303 /nfs/dbraw/zinc/88/43/03/575884303.db2.gz BLYIHHPCFYJDBD-UHFFFAOYSA-N 1 0 339.415 2.840 20 10 EFCDRO C[C@H]([NH2+][C@H](CO)CC(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000760035701 575973972 /nfs/dbraw/zinc/97/39/72/575973972.db2.gz CPNWACIUHVKMFS-RYUDHWBXSA-N 1 0 348.821 2.843 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000760119034 575981988 /nfs/dbraw/zinc/98/19/88/575981988.db2.gz VWPIQFHAKJCWKP-UHFFFAOYSA-N 1 0 346.519 2.982 20 10 EFCDRO CCOc1ccc(C[NH+]2CCN(Cc3ccncc3)CC2)c(O)c1 ZINC000761216896 576131052 /nfs/dbraw/zinc/13/10/52/576131052.db2.gz RRCNPWMJWMFPBZ-UHFFFAOYSA-N 1 0 327.428 2.504 20 10 EFCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CC[C@@H]3SCCS[C@H]13)OCO2 ZINC000762616750 576318301 /nfs/dbraw/zinc/31/83/01/576318301.db2.gz RWHJUKROKHWIJX-WKPIXPDZSA-N 1 0 325.455 2.590 20 10 EFCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CC[C@H]3SCCS[C@@H]13)OCO2 ZINC000762616189 576318361 /nfs/dbraw/zinc/31/83/61/576318361.db2.gz RWHJUKROKHWIJX-KMUNFCNLSA-N 1 0 325.455 2.590 20 10 EFCDRO Cc1cc(C(=O)NCC[N@H+]2CC=C(C)CC2)c(C)n1-c1ccccn1 ZINC000762706668 576326094 /nfs/dbraw/zinc/32/60/94/576326094.db2.gz LLNDGIHPYVDWQK-UHFFFAOYSA-N 1 0 338.455 2.871 20 10 EFCDRO C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000762790207 576331818 /nfs/dbraw/zinc/33/18/18/576331818.db2.gz YQZBYXJFCUHEQL-XLIONFOSSA-N 1 0 331.504 2.784 20 10 EFCDRO COc1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)ccn1 ZINC000762926834 576347955 /nfs/dbraw/zinc/34/79/55/576347955.db2.gz VLUSRYQNYNCMIY-QGZVFWFLSA-N 1 0 328.412 2.977 20 10 EFCDRO COc1ccc(O)c(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1 ZINC000763444511 576377579 /nfs/dbraw/zinc/37/75/79/576377579.db2.gz PDAJXUWEVKZEMU-PKOBYXMFSA-N 1 0 331.387 2.796 20 10 EFCDRO CO[C@]1(C[NH2+][C@H](C)c2cc(Br)ccc2O)CCOC1 ZINC000763573234 576381620 /nfs/dbraw/zinc/38/16/20/576381620.db2.gz QVVBOQPRASDKKI-YGRLFVJLSA-N 1 0 330.222 2.611 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCN4CCCC[C@H]34)CC2)cc1 ZINC000764965229 576529751 /nfs/dbraw/zinc/52/97/51/576529751.db2.gz JEIZUIJWEVPXSV-VQTJNVASSA-N 1 0 329.488 2.880 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cncs1 ZINC000765256547 577023948 /nfs/dbraw/zinc/02/39/48/577023948.db2.gz UKXCIQWBWIPWJT-ZFWWWQNUSA-N 1 0 344.484 2.696 20 10 EFCDRO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c(O)c1O ZINC000765808818 577079673 /nfs/dbraw/zinc/07/96/73/577079673.db2.gz JMMWHOKDTPBUKM-RHSMWYFYSA-N 1 0 340.423 2.657 20 10 EFCDRO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765937477 577090142 /nfs/dbraw/zinc/09/01/42/577090142.db2.gz VPRJWBWHNLNXDY-SCLBCKFNSA-N 1 0 338.879 2.988 20 10 EFCDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979192 577094681 /nfs/dbraw/zinc/09/46/81/577094681.db2.gz JEZQTTRTUQSLHN-YJBOKZPZSA-N 1 0 336.501 2.590 20 10 EFCDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765981509 577094959 /nfs/dbraw/zinc/09/49/59/577094959.db2.gz VWKQPEIQAYWXJP-SJLPKXTDSA-N 1 0 336.501 2.590 20 10 EFCDRO CCOc1ccc(C[NH2+]CCOCC(F)(F)C(F)F)c(O)c1 ZINC000766223768 577123662 /nfs/dbraw/zinc/12/36/62/577123662.db2.gz JMRVQPNUHPIXPV-UHFFFAOYSA-N 1 0 325.302 2.798 20 10 EFCDRO CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000766503463 577158890 /nfs/dbraw/zinc/15/88/90/577158890.db2.gz ZJRSSMYGGYKQKI-SUMWQHHRSA-N 1 0 326.868 2.844 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766587469 577169300 /nfs/dbraw/zinc/16/93/00/577169300.db2.gz ZOVLJKSRZXNWIU-YZVOILCLSA-N 1 0 347.478 2.796 20 10 EFCDRO CN(C)c1ccc(CNC(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC000766854237 577185064 /nfs/dbraw/zinc/18/50/64/577185064.db2.gz GFNNUGJQNWHGAK-UHFFFAOYSA-N 1 0 332.492 2.674 20 10 EFCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCO[C@H]1C1CC1 ZINC000767196101 577199433 /nfs/dbraw/zinc/19/94/33/577199433.db2.gz RXYVBROIWASSOB-VQTJNVASSA-N 1 0 348.462 2.957 20 10 EFCDRO CN1CCN([C@@H](C[NH2+]Cc2ccccc2O)c2cccs2)CC1 ZINC000725841372 577243576 /nfs/dbraw/zinc/24/35/76/577243576.db2.gz CWKMUHFOYJHSCH-INIZCTEOSA-N 1 0 331.485 2.532 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC000725845974 577246842 /nfs/dbraw/zinc/24/68/42/577246842.db2.gz OTTIEQQLQXWVKQ-UHFFFAOYSA-N 1 0 334.460 2.918 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)c(O)c1 ZINC000725848552 577248522 /nfs/dbraw/zinc/24/85/22/577248522.db2.gz XEVAHWPJNWZSAU-UHFFFAOYSA-N 1 0 340.423 2.927 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000768343944 577267261 /nfs/dbraw/zinc/26/72/61/577267261.db2.gz ARERQRKPSTXCDT-UHFFFAOYSA-N 1 0 336.432 2.890 20 10 EFCDRO C[N@H+](CCCOc1ccccc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768438648 577273566 /nfs/dbraw/zinc/27/35/66/577273566.db2.gz DEEJGMCQMLCLDY-GOSISDBHSA-N 1 0 329.396 2.719 20 10 EFCDRO C[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)[NH+]1[C@H](C)CC[C@H]1C ZINC000725893716 577273591 /nfs/dbraw/zinc/27/35/91/577273591.db2.gz SXQCGZRVFUOMFF-OAGGEKHMSA-N 1 0 329.488 2.947 20 10 EFCDRO Oc1cc2c(cc1CN1CC[NH+](CC3CCCCC3)CC1)[C@@H](O)CO2 ZINC000768440638 577273720 /nfs/dbraw/zinc/27/37/20/577273720.db2.gz SDSMKKLUZDWTFE-IBGZPJMESA-N 1 0 346.471 2.516 20 10 EFCDRO COc1ccc(CCC[N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)cc1 ZINC000768442748 577273972 /nfs/dbraw/zinc/27/39/72/577273972.db2.gz NQICOMKIBLZCCK-IBGZPJMESA-N 1 0 343.423 2.891 20 10 EFCDRO COc1cc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c(O)cc1C ZINC000768445181 577273994 /nfs/dbraw/zinc/27/39/94/577273994.db2.gz FYYZSHIDQNEHAE-UHFFFAOYSA-N 1 0 332.366 2.779 20 10 EFCDRO Oc1cc2c(cc1C[NH+]1CCC(OC3CCCC3)CC1)[C@H](O)CO2 ZINC000768445164 577274102 /nfs/dbraw/zinc/27/41/02/577274102.db2.gz QIJJDNKQHGAGRT-GOSISDBHSA-N 1 0 333.428 2.742 20 10 EFCDRO CCC[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000768446393 577274291 /nfs/dbraw/zinc/27/42/91/577274291.db2.gz NQOYXRIESXKKMV-HQJJXPTPSA-N 1 0 347.455 2.844 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](Cc3ccccc3)C1)[C@@H](O)CO2 ZINC000768449263 577274703 /nfs/dbraw/zinc/27/47/03/577274703.db2.gz YZTDWXQAEUELLE-KXBFYZLASA-N 1 0 325.408 2.883 20 10 EFCDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768448333 577274861 /nfs/dbraw/zinc/27/48/61/577274861.db2.gz UMMUVAWGJLRVJU-ACJLOTCBSA-N 1 0 341.407 2.816 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CCCO[C@H](c3ccccc3)C1)[C@@H](O)CO2 ZINC000768453435 577275239 /nfs/dbraw/zinc/27/52/39/577275239.db2.gz XHJQZURMYMBWCM-ICSRJNTNSA-N 1 0 341.407 2.782 20 10 EFCDRO CN(C)c1cccc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)c1 ZINC000768462479 577275573 /nfs/dbraw/zinc/27/55/73/577275573.db2.gz LVLLZRUDNIWXGN-GOSISDBHSA-N 1 0 328.412 2.516 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccc(F)cc3)C1)[C@@H](O)CO2 ZINC000768463403 577275925 /nfs/dbraw/zinc/27/59/25/577275925.db2.gz IEYYJCNZIHRDNK-ACJLOTCBSA-N 1 0 329.371 2.947 20 10 EFCDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768880796 577313595 /nfs/dbraw/zinc/31/35/95/577313595.db2.gz IHIQEEGLYYNXDX-CQSZACIVSA-N 1 0 349.431 2.826 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000768894868 577314940 /nfs/dbraw/zinc/31/49/40/577314940.db2.gz LTVTUDWBADZGIU-UHFFFAOYSA-N 1 0 332.444 2.625 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000769060769 577329531 /nfs/dbraw/zinc/32/95/31/577329531.db2.gz BYDLXVVYNLLLPD-AWEZNQCLSA-N 1 0 336.432 2.890 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000769106979 577334794 /nfs/dbraw/zinc/33/47/94/577334794.db2.gz HZVVLEJCRLUIDA-JZXOWHBKSA-N 1 0 348.487 2.865 20 10 EFCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000769194519 577343665 /nfs/dbraw/zinc/34/36/65/577343665.db2.gz HEAGGMBMRWVOFR-ZDUSSCGKSA-N 1 0 336.432 2.747 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCN(Cc3cnn(C)c3)CC2)cc1 ZINC000769310028 577350981 /nfs/dbraw/zinc/35/09/81/577350981.db2.gz XSHHSVNPVMLWHP-UHFFFAOYSA-N 1 0 341.503 2.584 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000769328477 577352441 /nfs/dbraw/zinc/35/24/41/577352441.db2.gz PUCRXZORVNAIPP-PMACEKPBSA-N 1 0 331.504 2.564 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1F ZINC000769330411 577352610 /nfs/dbraw/zinc/35/26/10/577352610.db2.gz WMBUKJAHOWQIBN-UXHICEINSA-N 1 0 349.494 2.703 20 10 EFCDRO Fc1cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)ccc1N1CCOCC1 ZINC000769329762 577352623 /nfs/dbraw/zinc/35/26/23/577352623.db2.gz MQYPDPSECMXWLX-GOSISDBHSA-N 1 0 347.478 2.723 20 10 EFCDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000726182967 577354084 /nfs/dbraw/zinc/35/40/84/577354084.db2.gz PPRQPBOOAJKZJW-HNNXBMFYSA-N 1 0 341.455 2.925 20 10 EFCDRO C[NH+](C)C[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769405373 577360084 /nfs/dbraw/zinc/36/00/84/577360084.db2.gz UTWNUCZSQZMSBN-KRWDZBQOSA-N 1 0 346.475 2.969 20 10 EFCDRO C[C@H](CCC1CC1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000769413601 577360806 /nfs/dbraw/zinc/36/08/06/577360806.db2.gz JMLPOMPKFUDLAJ-OAHLLOKOSA-N 1 0 336.501 2.590 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)cc1 ZINC000769447621 577362732 /nfs/dbraw/zinc/36/27/32/577362732.db2.gz YXSPSKVBQGVJLL-UHFFFAOYSA-N 1 0 337.467 2.772 20 10 EFCDRO Cc1ccc(O)c(C[N@H+](C)CCN2CCN(c3ccccc3)CC2)c1 ZINC000769466968 577364603 /nfs/dbraw/zinc/36/46/03/577364603.db2.gz RGWSJKLPSOIGMK-UHFFFAOYSA-N 1 0 339.483 2.955 20 10 EFCDRO COc1ccc(N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)cc1 ZINC000726562516 577373951 /nfs/dbraw/zinc/37/39/51/577373951.db2.gz KLUMYPVCAOSFGK-UHFFFAOYSA-N 1 0 341.411 2.959 20 10 EFCDRO COc1ccc(N2CCC(NC(=O)[C@H](C)OCC(C)C)CC2)cc1 ZINC000726562715 577373996 /nfs/dbraw/zinc/37/39/96/577373996.db2.gz OWRROKGWKNTQLR-HNNXBMFYSA-N 1 0 334.460 2.841 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[N@H+](CC)CC2)cc1 ZINC000769609694 577375095 /nfs/dbraw/zinc/37/50/95/577375095.db2.gz AYBQHLMRFPSWBG-UHFFFAOYSA-N 1 0 332.492 2.770 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCO[C@@H](C)C2)c1O ZINC000769710551 577380120 /nfs/dbraw/zinc/38/01/20/577380120.db2.gz NAKNHFBUXHCCIC-CABZTGNLSA-N 1 0 330.222 2.820 20 10 EFCDRO COc1ccc(N2CCC(NC(=O)NC[C@H]3CCCCO3)CC2)cc1 ZINC000726708935 577381042 /nfs/dbraw/zinc/38/10/42/577381042.db2.gz SJXRKXLEIJSSSS-GOSISDBHSA-N 1 0 347.459 2.532 20 10 EFCDRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CN(C)CCO1 ZINC000769933869 577394022 /nfs/dbraw/zinc/39/40/22/577394022.db2.gz JRLSFZUHDXXVNI-QRWLVFNGSA-N 1 0 326.440 2.868 20 10 EFCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1O ZINC000770381831 577414027 /nfs/dbraw/zinc/41/40/27/577414027.db2.gz QECQYWMHKPDKIM-MAUKXSAKSA-N 1 0 333.432 2.788 20 10 EFCDRO COc1cccc(O)c1CNc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000770412824 577416512 /nfs/dbraw/zinc/41/65/12/577416512.db2.gz YFMOCFSQNGBRGR-UHFFFAOYSA-N 1 0 342.439 2.970 20 10 EFCDRO CCOC(=O)C1(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000770665552 581123100 /nfs/dbraw/zinc/12/31/00/581123100.db2.gz MPWPALVLEFSKLG-UHFFFAOYSA-N 1 0 332.444 2.597 20 10 EFCDRO Cc1cccc2c1C(=O)N[C@H](c1ccc(N3CC[NH+](C)CC3)cc1)N2 ZINC000771521012 581220231 /nfs/dbraw/zinc/22/02/31/581220231.db2.gz NICJVRPIZWMQGW-LJQANCHMSA-N 1 0 336.439 2.601 20 10 EFCDRO CCN1C(=O)/C(=C\c2ccc(N3CC[NH+](C)CC3)cc2)SC1=S ZINC000771521269 581220316 /nfs/dbraw/zinc/22/03/16/581220316.db2.gz SQZFTPMRXJZIOM-NTCAYCPXSA-N 1 0 347.509 2.660 20 10 EFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(O)c(F)c3)c2)CC1 ZINC000771637666 581229185 /nfs/dbraw/zinc/22/91/85/581229185.db2.gz SBWYYEUQWWNONC-UHFFFAOYSA-N 1 0 343.402 2.926 20 10 EFCDRO COC[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(C)o1 ZINC000771843459 581249922 /nfs/dbraw/zinc/24/99/22/581249922.db2.gz PZSYEQITAOVQBN-IBGZPJMESA-N 1 0 343.471 2.817 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(C)(C)c3nccs3)cc2)CC1 ZINC000771844124 581249988 /nfs/dbraw/zinc/24/99/88/581249988.db2.gz WCYJPJUZOSETRE-UHFFFAOYSA-N 1 0 330.501 2.920 20 10 EFCDRO C[N@H+](Cc1cccc(O)c1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000771935456 581261656 /nfs/dbraw/zinc/26/16/56/581261656.db2.gz QNLSTKGSECPDTD-UHFFFAOYSA-N 1 0 330.403 3.000 20 10 EFCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000772424475 581321650 /nfs/dbraw/zinc/32/16/50/581321650.db2.gz SUSYRKJGWYYHHI-HZPDHXFCSA-N 1 0 347.503 2.867 20 10 EFCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000772424473 581321674 /nfs/dbraw/zinc/32/16/74/581321674.db2.gz SUSYRKJGWYYHHI-CVEARBPZSA-N 1 0 347.503 2.867 20 10 EFCDRO C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000773101364 581396606 /nfs/dbraw/zinc/39/66/06/581396606.db2.gz BVDIQOUCDVNNHT-KBPBESRZSA-N 1 0 342.480 2.900 20 10 EFCDRO C[C@@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000773211434 581405754 /nfs/dbraw/zinc/40/57/54/581405754.db2.gz RDRZKJZLVBJEPE-OAHLLOKOSA-N 1 0 344.503 2.987 20 10 EFCDRO C[C@H](NC(=O)NCC[N@H+](C)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000773271104 581412695 /nfs/dbraw/zinc/41/26/95/581412695.db2.gz BRQZZYGWZYIUNM-HNNXBMFYSA-N 1 0 332.492 2.987 20 10 EFCDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000773274875 581413016 /nfs/dbraw/zinc/41/30/16/581413016.db2.gz XXQLDWVUCIKMKC-JCGIZDLHSA-N 1 0 330.476 2.740 20 10 EFCDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000773274872 581413053 /nfs/dbraw/zinc/41/30/53/581413053.db2.gz XXQLDWVUCIKMKC-BMGDILEWSA-N 1 0 330.476 2.740 20 10 EFCDRO C[C@@H](NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773314602 581417399 /nfs/dbraw/zinc/41/73/99/581417399.db2.gz KMAYBVYSBGUDQC-PBHICJAKSA-N 1 0 330.476 2.597 20 10 EFCDRO C[C@H](NC(=O)NCC1([NH+](C)C)CCCC1)c1ccc(N(C)C)cc1 ZINC000773364444 581423247 /nfs/dbraw/zinc/42/32/47/581423247.db2.gz HRGJKMGWPBMDAY-HNNXBMFYSA-N 1 0 332.492 2.987 20 10 EFCDRO CC[NH+]1CCC(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773371445 581423996 /nfs/dbraw/zinc/42/39/96/581423996.db2.gz KMGKEWORTPUHIC-OAHLLOKOSA-N 1 0 332.492 2.845 20 10 EFCDRO C[C@H](NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1ccc(N(C)C)cc1 ZINC000773434748 581430531 /nfs/dbraw/zinc/43/05/31/581430531.db2.gz BXEUHAKYMRQODR-GJZGRUSLSA-N 1 0 330.476 2.763 20 10 EFCDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000773612886 581450503 /nfs/dbraw/zinc/45/05/03/581450503.db2.gz NDNSRBZHRCNNHE-LESCRADOSA-N 1 0 330.476 2.740 20 10 EFCDRO CCN(C)c1ccc(C[NH+]2CCC(C(=O)NCCCOC)CC2)cc1 ZINC000773748122 581460819 /nfs/dbraw/zinc/46/08/19/581460819.db2.gz WMPQELRPTOFMNC-UHFFFAOYSA-N 1 0 347.503 2.507 20 10 EFCDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(N(C)CC)cc1)CC2 ZINC000773752660 581461431 /nfs/dbraw/zinc/46/14/31/581461431.db2.gz IRKPUJJVYWQEED-RTBURBONSA-N 1 0 332.488 2.895 20 10 EFCDRO COC[C@@H](C)OC[C@@H](O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000773758744 581462396 /nfs/dbraw/zinc/46/23/96/581462396.db2.gz XSUXDUBAQHFHLE-QAPCUYQASA-N 1 0 337.460 2.549 20 10 EFCDRO CCN(C)c1ccc(C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)cc1 ZINC000773837211 581468350 /nfs/dbraw/zinc/46/83/50/581468350.db2.gz ZNQGCNGZIFSYCZ-UHFFFAOYSA-N 1 0 329.488 2.976 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3COC4(CCCC4)O3)CC2)cc1 ZINC000774466071 581492235 /nfs/dbraw/zinc/49/22/35/581492235.db2.gz BHCSLVAEQTXDST-LJQANCHMSA-N 1 0 346.471 2.939 20 10 EFCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736559471 598406166 /nfs/dbraw/zinc/40/61/66/598406166.db2.gz XHTPWYZANFEUMZ-UHFFFAOYSA-N 1 0 336.443 2.955 20 10 EFCDRO C[NH+](C)C[C@H]1CC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000737365354 600426608 /nfs/dbraw/zinc/42/66/08/600426608.db2.gz LDQATUDLMWCUMU-CYBMUJFWSA-N 1 0 328.412 2.627 20 10 EFCDRO COc1cc(C[NH2+][C@@H](C)CN2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850031886 1250234653 /nfs/dbraw/zinc/23/46/53/1250234653.db2.gz XCWWSZFUVIHFQM-AWEZNQCLSA-N 1 0 336.476 2.509 20 10 EFCDRO Cc1ncc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1C ZINC000850034516 1250234950 /nfs/dbraw/zinc/23/49/50/1250234950.db2.gz LYNRNLRSAYRZAX-ZIAGYGMSSA-N 1 0 346.450 2.771 20 10 EFCDRO C[C@@H]([NH2+]Cc1cnc2n1CCC2)c1ccc(N2CCOCC2)cc1 ZINC000850076870 1250266102 /nfs/dbraw/zinc/26/61/02/1250266102.db2.gz FKDNGUGWJVIWBH-OAHLLOKOSA-N 1 0 326.444 2.517 20 10 EFCDRO COc1cc(C[NH2+]C[C@@H](O)COCC2CC2)c(O)c(C(C)(C)C)c1 ZINC000850101478 1250279981 /nfs/dbraw/zinc/27/99/81/1250279981.db2.gz MTHNRUCQOLUHIC-OAHLLOKOSA-N 1 0 337.460 2.575 20 10 EFCDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850135545 1250306717 /nfs/dbraw/zinc/30/67/17/1250306717.db2.gz NZYJLZMNHQCMLJ-GFCCVEGCSA-N 1 0 343.489 2.611 20 10 EFCDRO COc1cc(C[NH2+]CCOC[C@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000850137427 1250310861 /nfs/dbraw/zinc/31/08/61/1250310861.db2.gz OKGDUNUQWYRXAI-OAHLLOKOSA-N 1 0 337.460 2.984 20 10 EFCDRO CCn1cnnc1CC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850141846 1250315401 /nfs/dbraw/zinc/31/54/01/1250315401.db2.gz CRRHFIITHQOORZ-UHFFFAOYSA-N 1 0 332.448 2.642 20 10 EFCDRO COc1cc(C[NH2+]C2(CCO)CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850189569 1250347102 /nfs/dbraw/zinc/34/71/02/1250347102.db2.gz DZXBIMOIKXLKTH-UHFFFAOYSA-N 1 0 337.460 2.720 20 10 EFCDRO COc1cc(C[NH2+][C@@H](C)[C@H]2CN(C)CCO2)c(O)c(C(C)(C)C)c1 ZINC000850198655 1250349342 /nfs/dbraw/zinc/34/93/42/1250349342.db2.gz LCUJEYQHNBHZJF-SUMWQHHRSA-N 1 0 336.476 2.507 20 10 EFCDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000850357009 1250447409 /nfs/dbraw/zinc/44/74/09/1250447409.db2.gz VZRRVWHYNZBGSC-NQCMUKECSA-N 1 0 346.290 2.934 20 10 EFCDRO C[C@H](CN1CCC(C)CC1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000850385814 1250458346 /nfs/dbraw/zinc/45/83/46/1250458346.db2.gz BZQPZTGJVNQUGR-QGZVFWFLSA-N 1 0 349.494 2.872 20 10 EFCDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850404559 1250467966 /nfs/dbraw/zinc/46/79/66/1250467966.db2.gz AQYFGICLLGKLIH-UHFFFAOYSA-N 1 0 341.411 2.846 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cs1 ZINC000850405891 1250468891 /nfs/dbraw/zinc/46/88/91/1250468891.db2.gz JLMFDSDZGXNCIN-UHFFFAOYSA-N 1 0 347.440 2.907 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cnn4ccccc34)cc2)CC1 ZINC000850406227 1250469918 /nfs/dbraw/zinc/46/99/18/1250469918.db2.gz XXBLPHQUGWZEDA-UHFFFAOYSA-N 1 0 336.439 2.585 20 10 EFCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3CCCn4nccc43)cc2)CC1 ZINC000850426230 1250481213 /nfs/dbraw/zinc/48/12/13/1250481213.db2.gz BROKVDIBSWAFCC-LJQANCHMSA-N 1 0 340.471 2.717 20 10 EFCDRO COC1([C@@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CCC1 ZINC000850426931 1250481282 /nfs/dbraw/zinc/48/12/82/1250481282.db2.gz IGINVHAYISWNNC-MRXNPFEDSA-N 1 0 332.488 2.943 20 10 EFCDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1cc(F)ccc1O ZINC000850531007 1250525359 /nfs/dbraw/zinc/52/53/59/1250525359.db2.gz GCERCVMQHGWWHM-LBPRGKRZSA-N 1 0 329.437 2.929 20 10 EFCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000850565582 1250538982 /nfs/dbraw/zinc/53/89/82/1250538982.db2.gz GRSFAUTWZNVKRK-OALUTQOASA-N 1 0 332.488 2.941 20 10 EFCDRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566653 1250539003 /nfs/dbraw/zinc/53/90/03/1250539003.db2.gz QLJOZDUMRZXOEN-CQSZACIVSA-N 1 0 328.460 2.540 20 10 EFCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000850567432 1250539681 /nfs/dbraw/zinc/53/96/81/1250539681.db2.gz BXKGYXWDIUYZGG-HXUWFJFHSA-N 1 0 332.488 2.943 20 10 EFCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]2CCCO[C@H]21 ZINC000850568249 1250540252 /nfs/dbraw/zinc/54/02/52/1250540252.db2.gz SWPXFNUDIKXKLM-XUVXKRRUSA-N 1 0 344.499 2.941 20 10 EFCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCC34CCOCC4)cc2)CC1 ZINC000850568380 1250541358 /nfs/dbraw/zinc/54/13/58/1250541358.db2.gz WPLIUMVLTLVIED-IBGZPJMESA-N 1 0 330.472 2.697 20 10 EFCDRO COc1ccc(N2CC[C@H](NC(=O)[C@H]([NH3+])CC3CCCCC3)C2)cc1 ZINC000851639611 1251162692 /nfs/dbraw/zinc/16/26/92/1251162692.db2.gz ICGBJKQQVBBADU-QFBILLFUSA-N 1 0 345.487 2.688 20 10 EFCDRO CN(C)c1ccc(CN(C(=O)NCC2([NH3+])CCCC2)C2CC2)cc1 ZINC000851671687 1251197639 /nfs/dbraw/zinc/19/76/39/1251197639.db2.gz SMKKIEAAZAIVPP-UHFFFAOYSA-N 1 0 330.476 2.698 20 10 EFCDRO C[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1cc(F)ccc1O ZINC000186025186 1253961433 /nfs/dbraw/zinc/96/14/33/1253961433.db2.gz UUWMTHCGKPCXKU-SNVBAGLBSA-N 1 0 338.329 2.890 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1C ZINC001127717394 1254047933 /nfs/dbraw/zinc/04/79/33/1254047933.db2.gz BKKMRVNVWPSRHG-BPQIPLTHSA-N 1 0 328.456 2.812 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CO[C@H](C)C3)CC2)cc1C ZINC000996748282 1255931198 /nfs/dbraw/zinc/93/11/98/1255931198.db2.gz PYAZRXXXCPQQGH-WBVHZDCISA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CO[C@H](C)C3)CC2)cc1C ZINC000996748278 1255931581 /nfs/dbraw/zinc/93/15/81/1255931581.db2.gz PYAZRXXXCPQQGH-NVXWUHKLSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921513526 1256831923 /nfs/dbraw/zinc/83/19/23/1256831923.db2.gz DNRLHJVADBTDRC-SFHVURJKSA-N 1 0 343.423 2.852 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cccc(C)c2F)cc1C ZINC001127893154 1256981993 /nfs/dbraw/zinc/98/19/93/1256981993.db2.gz YCTMHSOEKJYEIZ-UHFFFAOYSA-N 1 0 330.403 2.971 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@]3(C)CCOC3)CC2)cc1C ZINC000997121883 1256987888 /nfs/dbraw/zinc/98/78/88/1256987888.db2.gz HYPCHWJFVJDONB-FQEVSTJZSA-N 1 0 346.471 2.511 20 10 EFCDRO O=S(=O)(CC[NH2+]Cc1ccc2c(c1)CCCO2)Cc1ccccc1 ZINC000921596965 1257532181 /nfs/dbraw/zinc/53/21/81/1257532181.db2.gz SCORKUIPYHUQQJ-UHFFFAOYSA-N 1 0 345.464 2.716 20 10 EFCDRO CCCCN1C[C@@]2(F)CN(Cc3ccc(C)cc3O)C[C@@]2(F)C1=O ZINC001272767309 1257729055 /nfs/dbraw/zinc/72/90/55/1257729055.db2.gz ZTHUNPWNLYDPOL-ZWKOTPCHSA-N 1 0 338.398 2.575 20 10 EFCDRO O=C(Cc1cccc(F)c1)NCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921631232 1257870898 /nfs/dbraw/zinc/87/08/98/1257870898.db2.gz GJPPBMOELYHLDG-UHFFFAOYSA-N 1 0 342.414 2.599 20 10 EFCDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(N(C)C)cc1 ZINC000747524104 1258078796 /nfs/dbraw/zinc/07/87/96/1258078796.db2.gz DRIBMHKNPRMHLN-UHFFFAOYSA-N 1 0 331.420 2.768 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(F)F)[C@@H](C)C2)cc1C ZINC001044402448 1266171564 /nfs/dbraw/zinc/17/15/64/1266171564.db2.gz VXSODAJHZMACSZ-GXTWGEPZSA-N 1 0 326.387 2.738 20 10 EFCDRO Oc1ccccc1C[NH+]1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001203558681 1259331434 /nfs/dbraw/zinc/33/14/34/1259331434.db2.gz VFDNOENUMQTGCI-UHFFFAOYSA-N 1 0 338.333 2.523 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3cc(C)on3)C2)cc1C ZINC000998474193 1259566492 /nfs/dbraw/zinc/56/64/92/1259566492.db2.gz JDTZWOPUAQDMFQ-INIZCTEOSA-N 1 0 343.427 2.694 20 10 EFCDRO C[C@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(F)cc1[O-] ZINC000710551861 1259828273 /nfs/dbraw/zinc/82/82/73/1259828273.db2.gz NBYDUNMNEVCKCX-QMMMGPOBSA-N 1 0 328.185 2.878 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3cscn3)C2)cc1C ZINC000998730896 1259881317 /nfs/dbraw/zinc/88/13/17/1259881317.db2.gz LQLGCBWAWKKIDR-OAHLLOKOSA-N 1 0 345.468 2.855 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C[C@@H]3CCOC3)C2)cc1C ZINC000998806803 1259946096 /nfs/dbraw/zinc/94/60/96/1259946096.db2.gz RZDCZIZYULZISD-ROUUACIJSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3ccsn3)C2)cc1C ZINC000998972894 1260115030 /nfs/dbraw/zinc/11/50/30/1260115030.db2.gz NUBWYURSAXRCLN-UHFFFAOYSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H](OC)C3CC3)C2)cc1C ZINC000999045734 1260177227 /nfs/dbraw/zinc/17/72/27/1260177227.db2.gz KOSJUHJMLVIYGG-PKOBYXMFSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CC3(F)F)C2)cc1C ZINC000999109443 1260226170 /nfs/dbraw/zinc/22/61/70/1260226170.db2.gz WYEZPHDXKCBOIG-LSDHHAIUSA-N 1 0 338.398 2.739 20 10 EFCDRO CC[C@@H](F)C[NH+]1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001004241257 1266346019 /nfs/dbraw/zinc/34/60/19/1266346019.db2.gz JTECQKHTBVMSQI-CYBMUJFWSA-N 1 0 349.410 2.791 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC34CC4)C2)cc1C ZINC000999469465 1260661159 /nfs/dbraw/zinc/66/11/59/1260661159.db2.gz IPESPWRLXVYFSA-JCYILVPMSA-N 1 0 328.456 2.883 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1 ZINC000378883460 1266392069 /nfs/dbraw/zinc/39/20/69/1266392069.db2.gz JPPOZKDZUJZXLD-AWEZNQCLSA-N 1 0 336.432 2.890 20 10 EFCDRO COCCC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001168648216 1261217764 /nfs/dbraw/zinc/21/77/64/1261217764.db2.gz IZRBXOHDFBMUDA-MRXNPFEDSA-N 1 0 336.476 2.805 20 10 EFCDRO CCCCN1CCC2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)C1=O ZINC001272902341 1261293052 /nfs/dbraw/zinc/29/30/52/1261293052.db2.gz CQCRQXWMAKRZQC-UHFFFAOYSA-N 1 0 332.444 2.712 20 10 EFCDRO CN1c2ccccc2C2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)C1=O ZINC001272902874 1261295000 /nfs/dbraw/zinc/29/50/00/1261295000.db2.gz IPSJTKWCPLSTCY-UHFFFAOYSA-N 1 0 338.407 2.608 20 10 EFCDRO CC[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001272903401 1261296043 /nfs/dbraw/zinc/29/60/43/1261296043.db2.gz SNTCUTANCUADLD-UKRRQHHQSA-N 1 0 332.444 2.615 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]23CCN(CC(F)F)C3=O)cc1 ZINC001272917017 1261328550 /nfs/dbraw/zinc/32/85/50/1261328550.db2.gz OOIQOWHAUHEGFU-SFHVURJKSA-N 1 0 337.414 2.585 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C=C(C)C)CCCO2)cc1C ZINC001078324454 1261628770 /nfs/dbraw/zinc/62/87/70/1261628770.db2.gz ULSAJYYHOUOXMM-GOSISDBHSA-N 1 0 346.471 2.677 20 10 EFCDRO CS(=O)(=O)Cc1ccccc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921815147 1261811205 /nfs/dbraw/zinc/81/12/05/1261811205.db2.gz GJQARXHQGOFTDX-UHFFFAOYSA-N 1 0 345.464 2.846 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]([NH2+]CCC3CC3)C2)cc1 ZINC001001033258 1261818082 /nfs/dbraw/zinc/81/80/82/1261818082.db2.gz VRZFYQPWGXDTHJ-MRXNPFEDSA-N 1 0 343.431 2.843 20 10 EFCDRO CC[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001032809701 1261908553 /nfs/dbraw/zinc/90/85/53/1261908553.db2.gz DWEUBZRPJASAFD-KCXAZCMYSA-N 1 0 343.431 2.794 20 10 EFCDRO CC[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001032809703 1261909099 /nfs/dbraw/zinc/90/90/99/1261909099.db2.gz DWEUBZRPJASAFD-RCBQFDQVSA-N 1 0 343.431 2.794 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CC2)cc1 ZINC001032809138 1261918106 /nfs/dbraw/zinc/91/81/06/1261918106.db2.gz BWEXUQNJPHBDPO-HOTGVXAUSA-N 1 0 341.415 2.548 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](NC(=O)C(F)F)C23CCC3)cc1C ZINC001078524735 1261926094 /nfs/dbraw/zinc/92/60/94/1261926094.db2.gz WLBXKZDWEJBESW-CABCVRRESA-N 1 0 338.398 2.786 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCC2)cc1 ZINC001032810210 1261962976 /nfs/dbraw/zinc/96/29/76/1261962976.db2.gz WOOCSKCWMLOMSO-HOTGVXAUSA-N 1 0 341.415 2.548 20 10 EFCDRO O=S1(=O)CCc2cc(C[NH2+]Cc3ccc4c(c3)CCCO4)ccc21 ZINC000921836439 1262197014 /nfs/dbraw/zinc/19/70/14/1262197014.db2.gz JJPIYAWYKMDBRO-UHFFFAOYSA-N 1 0 343.448 2.631 20 10 EFCDRO Cc1cc(C[NH+]2CCC3(CCC(=O)N(C)C3)CC2)ccc1N(C)C ZINC001273206503 1263293861 /nfs/dbraw/zinc/29/38/61/1263293861.db2.gz OJDQEAPAOHEFDW-UHFFFAOYSA-N 1 0 329.488 2.895 20 10 EFCDRO Cn1cc(CN2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)cn1 ZINC000729989806 1264143295 /nfs/dbraw/zinc/14/32/95/1264143295.db2.gz YWYGLWWTZXOHQY-UHFFFAOYSA-N 1 0 336.439 2.597 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)CCCCO)c1O ZINC000824654778 1278218108 /nfs/dbraw/zinc/21/81/08/1278218108.db2.gz QKNDDRAIGSQUKM-JTQLQIEISA-N 1 0 332.238 2.804 20 10 EFCDRO CC1CCN(c2ccc(CNC(=S)NCCC[NH+](C)C)cc2)CC1 ZINC000730953397 1264492317 /nfs/dbraw/zinc/49/23/17/1264492317.db2.gz YCYDDBWFEAWFIT-UHFFFAOYSA-N 1 0 348.560 2.839 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC001084860426 1264555243 /nfs/dbraw/zinc/55/52/43/1264555243.db2.gz PFGLBHKOKQSDGJ-GDBMZVCRSA-N 1 0 343.431 2.651 20 10 EFCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000733330730 1265172446 /nfs/dbraw/zinc/17/24/46/1265172446.db2.gz KPLCJQOWBWTSCR-UHFFFAOYSA-N 1 0 344.480 2.520 20 10 EFCDRO Cc1ccccc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000733330551 1265172713 /nfs/dbraw/zinc/17/27/13/1265172713.db2.gz BEUVNLKYTKPWLI-UHFFFAOYSA-N 1 0 344.480 2.520 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@H](CO)c1ccccc1 ZINC000824696541 1278252220 /nfs/dbraw/zinc/25/22/20/1278252220.db2.gz OQHXEHKETRYHMK-HXUWFJFHSA-N 1 0 344.430 2.828 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCO2)cc1C ZINC001085124363 1265233835 /nfs/dbraw/zinc/23/38/35/1265233835.db2.gz QNDGXAOIRMIWFB-LMMKCTJWSA-N 1 0 346.471 2.700 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC000733647465 1265337781 /nfs/dbraw/zinc/33/77/81/1265337781.db2.gz RCPWFJYUJFNPSN-UHFFFAOYSA-N 1 0 344.503 2.913 20 10 EFCDRO CCOc1ccc(C[NH2+]CCc2ccccc2S(C)(=O)=O)c(O)c1 ZINC000922677404 1266581603 /nfs/dbraw/zinc/58/16/03/1266581603.db2.gz QXOBBWLYDPYNCZ-UHFFFAOYSA-N 1 0 349.452 2.527 20 10 EFCDRO CCOc1cccc(C[NH2+]C[C@H]2CCCN2CC(F)(F)F)c1O ZINC000922707588 1266627027 /nfs/dbraw/zinc/62/70/27/1266627027.db2.gz DMSDAEBOISWQES-CYBMUJFWSA-N 1 0 332.366 2.907 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CCc1nc2c(s1)CCC2 ZINC000922718762 1266650683 /nfs/dbraw/zinc/65/06/83/1266650683.db2.gz ZQSYOVQKXFOUDB-UHFFFAOYSA-N 1 0 343.496 2.801 20 10 EFCDRO COc1cc(C[N@H+](C)CCN2CCCC2=O)c(O)c(C(C)(C)C)c1 ZINC000824776249 1278279086 /nfs/dbraw/zinc/27/90/86/1278279086.db2.gz GQENYRYPKDZFOF-UHFFFAOYSA-N 1 0 334.460 2.753 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000734511860 1266998626 /nfs/dbraw/zinc/99/86/26/1266998626.db2.gz KDOOPHLPINIIPG-UHFFFAOYSA-N 1 0 332.469 2.754 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000734530455 1267004792 /nfs/dbraw/zinc/00/47/92/1267004792.db2.gz CSGVTSUATISMTA-DOTOQJQBSA-N 1 0 346.519 2.981 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000734655355 1267056823 /nfs/dbraw/zinc/05/68/23/1267056823.db2.gz NECCEFKDIPYVMX-UHFFFAOYSA-N 1 0 332.492 2.736 20 10 EFCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1(C)C ZINC000824821165 1278305491 /nfs/dbraw/zinc/30/54/91/1278305491.db2.gz VSXMQVPPDAEPNK-GOSISDBHSA-N 1 0 336.451 2.909 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(S(C)(=O)=O)c2)c1 ZINC000824789921 1278308093 /nfs/dbraw/zinc/30/80/93/1278308093.db2.gz JGZITWSGYRTZAM-LBPRGKRZSA-N 1 0 335.425 2.655 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3=O)C2)c(OC)c1 ZINC001273324688 1267362488 /nfs/dbraw/zinc/36/24/88/1267362488.db2.gz ASVTYHHQLNUCGL-HXUWFJFHSA-N 1 0 345.487 2.596 20 10 EFCDRO CCn1cc(C[NH2+]Cc2cc(Br)cc(OC)c2O)cn1 ZINC000735675948 1267392044 /nfs/dbraw/zinc/39/20/44/1267392044.db2.gz BTXBFINVFRGJHR-UHFFFAOYSA-N 1 0 340.221 2.670 20 10 EFCDRO CC[C@@H](C(=O)NC1CCN(c2ccc(OC)cc2)CC1)[NH+](CC)CC ZINC000735808864 1267422933 /nfs/dbraw/zinc/42/29/33/1267422933.db2.gz YFDMNGGYSUCMBD-IBGZPJMESA-N 1 0 347.503 2.901 20 10 EFCDRO COc1cc(C[N@@H+]2CCSC[C@@H]2CCO)c(O)c(C(C)(C)C)c1 ZINC000824919919 1278353789 /nfs/dbraw/zinc/35/37/89/1278353789.db2.gz AUYFTWMNBBSFJN-AWEZNQCLSA-N 1 0 339.501 2.998 20 10 EFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2c(O)cccc2Cl)N1CC(F)F ZINC001273107635 1267761532 /nfs/dbraw/zinc/76/15/32/1267761532.db2.gz DIODVKHAZAWMMC-CHWSQXEVSA-N 1 0 344.789 2.876 20 10 EFCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCO[C@@H](c3ccncc3)C1)OCO2 ZINC000824954788 1278365441 /nfs/dbraw/zinc/36/54/41/1278365441.db2.gz SJDBTRRVAVAMRB-GDBMZVCRSA-N 1 0 328.368 2.526 20 10 EFCDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000825040522 1278392751 /nfs/dbraw/zinc/39/27/51/1278392751.db2.gz MCQBNLVXONOSGG-MOPGFXCFSA-N 1 0 346.471 2.985 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+]CCC2(CO)CC2)ccc1N1CCCCC1 ZINC000825040448 1278392938 /nfs/dbraw/zinc/39/29/38/1278392938.db2.gz KOTWDTASXIPKPM-UHFFFAOYSA-N 1 0 333.432 2.837 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)cc1F ZINC000825045765 1278394330 /nfs/dbraw/zinc/39/43/30/1278394330.db2.gz KSZXBIJWYCMUPO-KDOFPFPSSA-N 1 0 332.423 2.635 20 10 EFCDRO Cc1cc(Br)cc(C[NH2+][C@H](C)Cc2cnn(C)c2)c1O ZINC000825046245 1278395680 /nfs/dbraw/zinc/39/56/80/1278395680.db2.gz RGBZBNQWOJJYFD-LLVKDONJSA-N 1 0 338.249 2.917 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)c1 ZINC000825046033 1278396776 /nfs/dbraw/zinc/39/67/76/1278396776.db2.gz OSNSXXKPDFWCHI-KSSFIOAISA-N 1 0 331.416 2.534 20 10 EFCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000825068457 1278403542 /nfs/dbraw/zinc/40/35/42/1278403542.db2.gz PEIYBEYIRSNLON-CQSZACIVSA-N 1 0 331.485 2.999 20 10 EFCDRO CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001005002986 1268362402 /nfs/dbraw/zinc/36/24/02/1268362402.db2.gz MHIIIKNADBMYFZ-SWLSCSKDSA-N 1 0 331.420 2.842 20 10 EFCDRO CCC1(C[NH2+]Cc2cc(Br)cc(OC)c2O)COC1 ZINC000825073617 1278404726 /nfs/dbraw/zinc/40/47/26/1278404726.db2.gz WZKHUNJCPAADOB-UHFFFAOYSA-N 1 0 330.222 2.680 20 10 EFCDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000825117690 1278418050 /nfs/dbraw/zinc/41/80/50/1278418050.db2.gz JSWPXSUTPJFCLY-FHLIZLRMSA-N 1 0 345.443 2.884 20 10 EFCDRO COC[C@@]1(CO)CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000825158581 1278454818 /nfs/dbraw/zinc/45/48/18/1278454818.db2.gz QVUXBWYCVZBYDR-FQEVSTJZSA-N 1 0 327.424 2.890 20 10 EFCDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000741086041 1269286750 /nfs/dbraw/zinc/28/67/50/1269286750.db2.gz CLVHECNNGSYMRH-SFHVURJKSA-N 1 0 342.487 2.594 20 10 EFCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)cc1Cl ZINC000825258632 1278488472 /nfs/dbraw/zinc/48/84/72/1278488472.db2.gz CQDVILHJZFSLML-LLVKDONJSA-N 1 0 336.741 2.607 20 10 EFCDRO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000825279121 1278490861 /nfs/dbraw/zinc/49/08/61/1278490861.db2.gz OKFKUMDNLSOUOK-OAHLLOKOSA-N 1 0 327.428 2.781 20 10 EFCDRO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000825279119 1278490932 /nfs/dbraw/zinc/49/09/32/1278490932.db2.gz OHMQFRMUADOJBO-SFHVURJKSA-N 1 0 344.503 2.913 20 10 EFCDRO CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000825279572 1278492931 /nfs/dbraw/zinc/49/29/31/1278492931.db2.gz SBWKUXQQGBKJCP-UHFFFAOYSA-N 1 0 343.874 2.690 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3ccc[nH]3)C2)cc1C ZINC001086026589 1269577273 /nfs/dbraw/zinc/57/72/73/1269577273.db2.gz QZJXYPJATMADCG-IYBDPMFKSA-N 1 0 327.428 2.630 20 10 EFCDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000741725409 1269667737 /nfs/dbraw/zinc/66/77/37/1269667737.db2.gz UXWAXKBYIMOOFX-XJKSGUPXSA-N 1 0 326.444 2.702 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)cc1F ZINC000825325928 1278506635 /nfs/dbraw/zinc/50/66/35/1278506635.db2.gz IEMKRLJTHSNHMM-WMLDXEAASA-N 1 0 332.423 2.635 20 10 EFCDRO CCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033697180 1269834600 /nfs/dbraw/zinc/83/46/00/1269834600.db2.gz BEZDPEDZRVPAHR-OAHLLOKOSA-N 1 0 331.420 2.795 20 10 EFCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)CN1C1CC1 ZINC000825353679 1278518881 /nfs/dbraw/zinc/51/88/81/1278518881.db2.gz OUUOKAIHMOFFDA-GXFFZTMASA-N 1 0 325.250 2.870 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C(C)(F)F)cc1C ZINC001044896275 1269917299 /nfs/dbraw/zinc/91/72/99/1269917299.db2.gz MRLUMJUAEHDMNN-AWEZNQCLSA-N 1 0 326.387 2.739 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]CCOC2CCC2)c1O ZINC000742386398 1270016846 /nfs/dbraw/zinc/01/68/46/1270016846.db2.gz DBJRNGHAPLCAPF-UHFFFAOYSA-N 1 0 330.222 2.822 20 10 EFCDRO O=C1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000742391077 1270017849 /nfs/dbraw/zinc/01/78/49/1270017849.db2.gz BZSZZTOIEJSGGY-UFYCRDLUSA-N 1 0 348.446 2.868 20 10 EFCDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000743130656 1270432742 /nfs/dbraw/zinc/43/27/42/1270432742.db2.gz RYMHKCKHTBNEQF-HNNXBMFYSA-N 1 0 345.487 2.801 20 10 EFCDRO CC[N@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)[C@@H](C)C(C)C ZINC000743272101 1270500250 /nfs/dbraw/zinc/50/02/50/1270500250.db2.gz NBKLKMMIPDFBPL-KRWDZBQOSA-N 1 0 347.503 2.710 20 10 EFCDRO CN(Cc1ccnn1CC1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000825510112 1278577143 /nfs/dbraw/zinc/57/71/43/1278577143.db2.gz WVBBKKOZELWYGB-UHFFFAOYSA-N 1 0 328.460 2.870 20 10 EFCDRO COC(=O)CCC(C)(C)[NH2+]Cc1ccc(Br)cc1O ZINC000825519425 1278582208 /nfs/dbraw/zinc/58/22/08/1278582208.db2.gz FSRUXJDUQWCICW-UHFFFAOYSA-N 1 0 330.222 2.976 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3cc[nH]c3C)C2)cc1C ZINC001086337669 1271055306 /nfs/dbraw/zinc/05/53/06/1271055306.db2.gz FLHYMGPQOJIHSQ-QAQDUYKDSA-N 1 0 341.455 2.938 20 10 EFCDRO COc1cccc(O)c1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000792183425 1278623103 /nfs/dbraw/zinc/62/31/03/1278623103.db2.gz IOTYCFYEKINZKX-UHFFFAOYSA-N 1 0 332.375 2.978 20 10 EFCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@]1(O)CCN(Cc3ccccc3)C1)CC2 ZINC000702544351 1271478085 /nfs/dbraw/zinc/47/80/85/1271478085.db2.gz KEVXHIRRIRWRCY-NQIIRXRSSA-N 1 0 338.451 2.606 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000745857973 1271660248 /nfs/dbraw/zinc/66/02/48/1271660248.db2.gz MDMDKOOXQVPQSF-RDJZCZTQSA-N 1 0 332.492 2.767 20 10 EFCDRO CC[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)[NH+](CC)CC ZINC000746132955 1271810869 /nfs/dbraw/zinc/81/08/69/1271810869.db2.gz OAQGPHYURINRDP-SFHVURJKSA-N 1 0 349.544 2.976 20 10 EFCDRO CCC[N@H+](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000746172814 1271852413 /nfs/dbraw/zinc/85/24/13/1271852413.db2.gz JEBHKRBBVHMLDE-LJQANCHMSA-N 1 0 347.503 2.602 20 10 EFCDRO C[C@@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000746168357 1271873398 /nfs/dbraw/zinc/87/33/98/1271873398.db2.gz OLMUKZHGFBIVLF-IXDOHACOSA-N 1 0 345.487 2.573 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)c3cn[nH]c3)CC2)cc1C ZINC001034597945 1272359839 /nfs/dbraw/zinc/35/98/39/1272359839.db2.gz SYDPICHCGOGNBE-QAQDUYKDSA-N 1 0 342.443 2.558 20 10 EFCDRO C[C@H]([NH2+]C[C@H]1CC2(CCC2)C(=O)O1)c1ccc(N2CCOCC2)cc1 ZINC000792275417 1278707231 /nfs/dbraw/zinc/70/72/31/1278707231.db2.gz AELVYRJKEFETQK-MAUKXSAKSA-N 1 0 344.455 2.660 20 10 EFCDRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3ccccc3O)CC2=O)cc1 ZINC001168894645 1272464717 /nfs/dbraw/zinc/46/47/17/1272464717.db2.gz XGFPQMIGWWQLNY-QGZVFWFLSA-N 1 0 340.423 2.682 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccnc(C)c2)cc1C ZINC001168901158 1272469335 /nfs/dbraw/zinc/46/93/35/1272469335.db2.gz FGXPVASZPWGTHU-UHFFFAOYSA-N 1 0 327.428 2.617 20 10 EFCDRO COc1cc(C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CC3)CC2)cc(OC)n1 ZINC001034680234 1272561971 /nfs/dbraw/zinc/56/19/71/1272561971.db2.gz GBVLSYQPMMBDHB-WKILWMFISA-N 1 0 347.459 2.530 20 10 EFCDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC001168987314 1272588890 /nfs/dbraw/zinc/58/88/90/1272588890.db2.gz IBGUCJXGZCZYLG-CABZTGNLSA-N 1 0 329.194 2.690 20 10 EFCDRO CCOc1ccc(N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169047035 1272625277 /nfs/dbraw/zinc/62/52/77/1272625277.db2.gz QBXJYTIMAGBQCM-RDJZCZTQSA-N 1 0 333.432 2.653 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2ocnc2C)cc1C ZINC001034893844 1273168578 /nfs/dbraw/zinc/16/85/78/1273168578.db2.gz CTRVFDQRPGHOJV-MRXNPFEDSA-N 1 0 343.427 2.694 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2coc(C)n2)cc1C ZINC001034916916 1273224425 /nfs/dbraw/zinc/22/44/25/1273224425.db2.gz QITKGBJLMNMNGT-MRXNPFEDSA-N 1 0 343.427 2.694 20 10 EFCDRO Oc1ccccc1CN1CCC([NH2+][C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169923893 1273264243 /nfs/dbraw/zinc/26/42/43/1273264243.db2.gz KMNRIUZJMGJMIF-SFHVURJKSA-N 1 0 346.471 2.632 20 10 EFCDRO CCN(CC)c1ccc(CN(C)Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000844220649 1278796185 /nfs/dbraw/zinc/79/61/85/1278796185.db2.gz ISWOQPWKMVILIF-UHFFFAOYSA-N 1 0 331.464 2.742 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[C@H]2C(F)F)cc1C ZINC001129376910 1273760043 /nfs/dbraw/zinc/76/00/43/1273760043.db2.gz VWXUVYXLWYZXDC-HUUCEWRRSA-N 1 0 340.414 2.891 20 10 EFCDRO Nc1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000705678163 1274177736 /nfs/dbraw/zinc/17/77/36/1274177736.db2.gz GNTQTWFODFOWNM-CALCHBBNSA-N 1 0 336.439 2.865 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccon3)C[C@@H]2C)cc1C ZINC001035942451 1274720363 /nfs/dbraw/zinc/72/03/63/1274720363.db2.gz RSJIZBJNWFDMQK-GOEBONIOSA-N 1 0 343.427 2.632 20 10 EFCDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccc(Br)cc1O ZINC000691503144 1274779361 /nfs/dbraw/zinc/77/93/61/1274779361.db2.gz YAMJSNKMJOIQGD-SNVBAGLBSA-N 1 0 329.238 2.549 20 10 EFCDRO Oc1cccc(Br)c1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000706853932 1275053341 /nfs/dbraw/zinc/05/33/41/1275053341.db2.gz NQHVVPIFFITQCG-RYUDHWBXSA-N 1 0 325.250 2.871 20 10 EFCDRO Oc1cccc(Br)c1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000706853928 1275053923 /nfs/dbraw/zinc/05/39/23/1275053923.db2.gz NQHVVPIFFITQCG-NEPJUHHUSA-N 1 0 325.250 2.871 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000103511334 1278926492 /nfs/dbraw/zinc/92/64/92/1278926492.db2.gz HOWQGBQQWMTCAI-AWEZNQCLSA-N 1 0 349.475 2.881 20 10 EFCDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cccc(O)c1O)[NH+](C)C ZINC000785857071 1275217668 /nfs/dbraw/zinc/21/76/68/1275217668.db2.gz OCWXCHNEUPBWQL-CXAGYDPISA-N 1 0 328.412 2.827 20 10 EFCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H]1CO ZINC000785984225 1275266021 /nfs/dbraw/zinc/26/60/21/1275266021.db2.gz JYQMQZWEHCYZJT-KDOFPFPSSA-N 1 0 333.432 2.788 20 10 EFCDRO CC(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001036309995 1275397013 /nfs/dbraw/zinc/39/70/13/1275397013.db2.gz VMRCXWVJBLYZDM-XJKSGUPXSA-N 1 0 345.447 2.945 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000844400830 1278947948 /nfs/dbraw/zinc/94/79/48/1278947948.db2.gz FKWAYPCRHYRZJQ-QGZVFWFLSA-N 1 0 332.444 2.549 20 10 EFCDRO COc1ccc(N(C)CC[N@H+](C)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000844399871 1278949573 /nfs/dbraw/zinc/94/95/73/1278949573.db2.gz RDFQXKABMHDSLT-OAHLLOKOSA-N 1 0 333.476 2.511 20 10 EFCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1F ZINC000786825973 1275533527 /nfs/dbraw/zinc/53/35/27/1275533527.db2.gz CFXJKKKULQNUQG-UHFFFAOYSA-N 1 0 342.461 2.647 20 10 EFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)[C@H]1C ZINC000787422084 1275770634 /nfs/dbraw/zinc/77/06/34/1275770634.db2.gz ZBSDKDUAFXMBQV-JOYOIKCWSA-N 1 0 328.206 2.538 20 10 EFCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)[C@H]1C ZINC000787422083 1275771160 /nfs/dbraw/zinc/77/11/60/1275771160.db2.gz ZBSDKDUAFXMBQV-CABZTGNLSA-N 1 0 328.206 2.538 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3cncs3)C2)cc1C ZINC001090943831 1278985785 /nfs/dbraw/zinc/98/57/85/1278985785.db2.gz CCICBPQAAKIBEX-UHFFFAOYSA-N 1 0 345.468 2.758 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCC3)C2)cc1 ZINC001086562145 1276072351 /nfs/dbraw/zinc/07/23/51/1276072351.db2.gz CDYQTZHUXHCHBQ-SAZUREKKSA-N 1 0 343.431 2.747 20 10 EFCDRO O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000788310036 1276141445 /nfs/dbraw/zinc/14/14/45/1276141445.db2.gz YLRXXLPBKTXBFI-MRXNPFEDSA-N 1 0 332.444 2.554 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)C(C)(C)n1cncn1 ZINC000788543503 1276214244 /nfs/dbraw/zinc/21/42/44/1276214244.db2.gz VCPCAEZGDPZQDE-OAHLLOKOSA-N 1 0 345.516 2.745 20 10 EFCDRO C[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000817899337 1276366676 /nfs/dbraw/zinc/36/66/76/1276366676.db2.gz LGTFGNCGIQXQDH-GRDNDAEWSA-N 1 0 339.430 2.987 20 10 EFCDRO C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817936313 1276381820 /nfs/dbraw/zinc/38/18/20/1276381820.db2.gz NWEXOQIQSMIUTE-NSHDSACASA-N 1 0 332.275 2.645 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817941553 1276387593 /nfs/dbraw/zinc/38/75/93/1276387593.db2.gz KNALQTXBPLNLEI-UGSOOPFHSA-N 1 0 329.444 2.817 20 10 EFCDRO CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817944575 1276389395 /nfs/dbraw/zinc/38/93/95/1276389395.db2.gz HCCGZRMLJNHHHE-CQSZACIVSA-N 1 0 332.275 2.645 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)CC1(C[NH3+])CC1 ZINC000817957619 1276398240 /nfs/dbraw/zinc/39/82/40/1276398240.db2.gz DGPRAHRTAWTMKE-UHFFFAOYSA-N 1 0 341.249 2.632 20 10 EFCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000817956289 1276398674 /nfs/dbraw/zinc/39/86/74/1276398674.db2.gz VTKAMZCIPTZVKQ-UWJYYQICSA-N 1 0 339.483 2.690 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)c1 ZINC000817968841 1276411717 /nfs/dbraw/zinc/41/17/17/1276411717.db2.gz NJKBJVWWYWFBNM-LBPRGKRZSA-N 1 0 326.396 2.633 20 10 EFCDRO C[C@H](NC[C@@H]1C[NH2+]CCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817981374 1276420644 /nfs/dbraw/zinc/42/06/44/1276420644.db2.gz RSWYAOYUTKABON-RDJZCZTQSA-N 1 0 335.467 2.845 20 10 EFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CCC34CCCC4)cc2)CC1 ZINC000788983312 1276427349 /nfs/dbraw/zinc/42/73/49/1276427349.db2.gz CMMDJVFQGJMFRN-GOSISDBHSA-N 1 0 348.512 2.734 20 10 EFCDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000788984283 1276427677 /nfs/dbraw/zinc/42/76/77/1276427677.db2.gz JUUAACOQVLHBJI-OFQRWUPVSA-N 1 0 338.879 2.988 20 10 EFCDRO CC(C)n1cncc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000818180014 1276478809 /nfs/dbraw/zinc/47/88/09/1276478809.db2.gz PDYJEMJZSICYSB-UHFFFAOYSA-N 1 0 332.423 2.730 20 10 EFCDRO CCc1ncc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000818222821 1276493092 /nfs/dbraw/zinc/49/30/92/1276493092.db2.gz WPVXAGPDBDVRLI-OAHLLOKOSA-N 1 0 326.444 2.664 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnc(C4CC4)nc3)C2)cc1 ZINC000818219336 1276493557 /nfs/dbraw/zinc/49/35/57/1276493557.db2.gz BZHMFCNWBWOTNK-HNNXBMFYSA-N 1 0 338.455 2.979 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cccc4nccn43)C2)cc1 ZINC000818222963 1276493562 /nfs/dbraw/zinc/49/35/62/1276493562.db2.gz ZFLBSIZBIKASBU-MRXNPFEDSA-N 1 0 336.439 2.959 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnc([C@@H](C)O)s3)C2)cc1 ZINC000818219690 1276493702 /nfs/dbraw/zinc/49/37/02/1276493702.db2.gz CRLKHXDOKKZKNZ-KGLIPLIRSA-N 1 0 347.484 2.821 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)C(C)(C)n3cncn3)C2)cc1 ZINC000818341918 1276509668 /nfs/dbraw/zinc/50/96/68/1276509668.db2.gz JCDLXNMVLPTMJC-HOTGVXAUSA-N 1 0 343.475 2.526 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CCN(C4CC4)CC3)C2)cc1 ZINC000818342250 1276510084 /nfs/dbraw/zinc/51/00/84/1276510084.db2.gz NQEPNEPQXDFRCB-MRXNPFEDSA-N 1 0 329.488 2.738 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3nccnc3C)C2)cc1 ZINC000818341544 1276510237 /nfs/dbraw/zinc/51/02/37/1276510237.db2.gz AKFSIXVLSOYYOQ-HOTGVXAUSA-N 1 0 326.444 2.971 20 10 EFCDRO CC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccn(C)n1 ZINC000818342110 1276510340 /nfs/dbraw/zinc/51/03/40/1276510340.db2.gz LSODHOGOPYJDRM-CRAIPNDOSA-N 1 0 328.460 2.996 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](c3nccn3C)C3CC3)C2)cc1 ZINC000818342849 1276511611 /nfs/dbraw/zinc/51/16/11/1276511611.db2.gz VXQHEOJNKPQYBG-BEFAXECRSA-N 1 0 340.471 2.996 20 10 EFCDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)c1cnn(C)c1 ZINC000818345737 1276512916 /nfs/dbraw/zinc/51/29/16/1276512916.db2.gz XLLDSHPDBWZOMW-KXBFYZLASA-N 1 0 328.460 2.996 20 10 EFCDRO C[C@H]([NH2+]CCCCS(C)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000818349255 1276518212 /nfs/dbraw/zinc/51/82/12/1276518212.db2.gz FOWJOPYZIGOTJO-ZDUSSCGKSA-N 1 0 325.474 2.746 20 10 EFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cnccc3N)C2)cc1 ZINC000818614811 1276539401 /nfs/dbraw/zinc/53/94/01/1276539401.db2.gz GPSKRVHLWAYBGU-LSDHHAIUSA-N 1 0 326.444 2.680 20 10 EFCDRO C[NH2+]CCc1ccccc1C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000818608591 1276546470 /nfs/dbraw/zinc/54/64/70/1276546470.db2.gz IQOWLQAPFBODAW-UHFFFAOYSA-N 1 0 339.395 2.868 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)CC(F)(F)F ZINC000818963960 1276551856 /nfs/dbraw/zinc/55/18/56/1276551856.db2.gz GUZBVOBRLYVHQX-CQSZACIVSA-N 1 0 334.407 2.643 20 10 EFCDRO OC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CCC1 ZINC000818964478 1276552142 /nfs/dbraw/zinc/55/21/42/1276552142.db2.gz XLHYJNAVAARBMO-UHFFFAOYSA-N 1 0 344.377 2.547 20 10 EFCDRO CC(C)OCC[C@@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818964495 1276552386 /nfs/dbraw/zinc/55/23/86/1276552386.db2.gz XUJVAAGUMZVAPX-GOSISDBHSA-N 1 0 338.517 2.505 20 10 EFCDRO Cc1cc(C)cc(OC[C@H](O)C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000818941039 1276553534 /nfs/dbraw/zinc/55/35/34/1276553534.db2.gz BQFSQOYKQAVFOH-LJQANCHMSA-N 1 0 328.456 2.899 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Cl)cc1 ZINC000818941665 1276553720 /nfs/dbraw/zinc/55/37/20/1276553720.db2.gz NKPHRUCFFMYINU-MRXNPFEDSA-N 1 0 334.847 2.936 20 10 EFCDRO CCS(=O)(=O)CC[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000818980430 1276562520 /nfs/dbraw/zinc/56/25/20/1276562520.db2.gz KEKRTLWBMRRSKZ-UHFFFAOYSA-N 1 0 338.517 2.980 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2F)cc1F ZINC000818985060 1276563182 /nfs/dbraw/zinc/56/31/82/1276563182.db2.gz MPZBPPZDLHCNOL-CQSZACIVSA-N 1 0 336.382 2.560 20 10 EFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)COCc2cccs2)cc1F ZINC000818985253 1276563498 /nfs/dbraw/zinc/56/34/98/1276563498.db2.gz PUELWGADQRGVBL-CQSZACIVSA-N 1 0 338.448 2.621 20 10 EFCDRO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)c(C)c1 ZINC000818996574 1276566134 /nfs/dbraw/zinc/56/61/34/1276566134.db2.gz IOUXFJSNKFRIHC-SFHVURJKSA-N 1 0 327.424 2.768 20 10 EFCDRO CCc1cccc(OC[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000818997114 1276566775 /nfs/dbraw/zinc/56/67/75/1276566775.db2.gz SAEMEDPGQGMCGZ-SFHVURJKSA-N 1 0 327.424 2.713 20 10 EFCDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)cc1 ZINC000819094786 1276604157 /nfs/dbraw/zinc/60/41/57/1276604157.db2.gz MFIHJVXQIGHLPA-IBGZPJMESA-N 1 0 339.395 2.794 20 10 EFCDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)c1 ZINC000819094444 1276604403 /nfs/dbraw/zinc/60/44/03/1276604403.db2.gz HCUDMWZWJKRVQI-IBGZPJMESA-N 1 0 339.395 2.794 20 10 EFCDRO O[C@H](C[NH2+]CCCSc1nccs1)COc1ccc(F)cc1 ZINC000819064200 1276615209 /nfs/dbraw/zinc/61/52/09/1276615209.db2.gz UAVVCFQMXGLZGM-CYBMUJFWSA-N 1 0 342.461 2.794 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCSC(C)(C)CC2)cc1 ZINC000789339789 1276665748 /nfs/dbraw/zinc/66/57/48/1276665748.db2.gz GOPHMVDKPHVHDZ-UHFFFAOYSA-N 1 0 349.544 2.929 20 10 EFCDRO COC[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000819289577 1276703999 /nfs/dbraw/zinc/70/39/99/1276703999.db2.gz FLRKYVPJWVEIDD-UKRRQHHQSA-N 1 0 326.868 2.673 20 10 EFCDRO COC[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000819289575 1276704645 /nfs/dbraw/zinc/70/46/45/1276704645.db2.gz FLRKYVPJWVEIDD-DZGCQCFKSA-N 1 0 326.868 2.673 20 10 EFCDRO C[N@H+](C[C@H](O)CNc1ccccc1OC[C@H]1CCCCO1)C1CC1 ZINC000819425567 1276782812 /nfs/dbraw/zinc/78/28/12/1276782812.db2.gz DGEOCEAVDZMRPL-IAGOWNOFSA-N 1 0 334.460 2.502 20 10 EFCDRO COc1ccc(N2CC[C@H](CNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000819583839 1276826534 /nfs/dbraw/zinc/82/65/34/1276826534.db2.gz AEHXWFAVNVZVGM-IXDOHACOSA-N 1 0 345.487 2.511 20 10 EFCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819587171 1276829956 /nfs/dbraw/zinc/82/99/56/1276829956.db2.gz XGARODUYFWZNGU-CVEARBPZSA-N 1 0 347.503 2.804 20 10 EFCDRO Cc1cc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)ccc1N(C)C ZINC000815014881 1287247810 /nfs/dbraw/zinc/24/78/10/1287247810.db2.gz CEFSCSXGLWHBAT-IBGZPJMESA-N 1 0 331.504 2.748 20 10 EFCDRO C[C@H]1CCC[C@]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)(C(=O)[O-])C1 ZINC000789902443 1277088855 /nfs/dbraw/zinc/08/88/55/1277088855.db2.gz NZRXVVGGQXKHDS-OXJNMPFZSA-N 1 0 345.487 2.562 20 10 EFCDRO COC(=O)CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)C[C@H]1CCCO1 ZINC000815048065 1287268116 /nfs/dbraw/zinc/26/81/16/1287268116.db2.gz HBBACHYPPXIULA-QGZVFWFLSA-N 1 0 334.460 2.605 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000103528726 1279029558 /nfs/dbraw/zinc/02/95/58/1279029558.db2.gz IVSZTAMIFJBLCT-ZDUSSCGKSA-N 1 0 328.412 2.953 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[NH+]1CCCC1 ZINC000820885490 1277357527 /nfs/dbraw/zinc/35/75/27/1277357527.db2.gz JBTHSSUSTPBGEJ-UHFFFAOYSA-N 1 0 341.249 2.599 20 10 EFCDRO CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000790486254 1277596874 /nfs/dbraw/zinc/59/68/74/1277596874.db2.gz SWOMOMJTLZKGTI-LJQANCHMSA-N 1 0 331.504 2.733 20 10 EFCDRO C[C@@H]([NH2+]CCCCCO)c1ccc(N2CCOCC2)cc1Cl ZINC000790498886 1277603750 /nfs/dbraw/zinc/60/37/50/1277603750.db2.gz VENGIKGERDAABH-CQSZACIVSA-N 1 0 326.868 2.990 20 10 EFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc(F)ncc3F)C2)cc1 ZINC000822494593 1289014247 /nfs/dbraw/zinc/01/42/47/1289014247.db2.gz RSTIDYQBGBEQAV-ZDUSSCGKSA-N 1 0 333.382 2.985 20 10 EFCDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000790838039 1277785252 /nfs/dbraw/zinc/78/52/52/1277785252.db2.gz CJKDMLZLIDVYHM-AWEZNQCLSA-N 1 0 334.803 2.784 20 10 EFCDRO Cc1cc(C[N@H+]2CCN(C(=O)N(C)C)CC2(C)C)ccc1N(C)C ZINC000815084818 1287307018 /nfs/dbraw/zinc/30/70/18/1287307018.db2.gz ZXDILZJFQLOOEZ-UHFFFAOYSA-N 1 0 332.492 2.639 20 10 EFCDRO CCN(C)c1ccc(C[N@@H+]2[C@H]3C[C@@H](C(=O)OC)O[C@H]3CC[C@H]2C)cc1 ZINC000815112415 1287310172 /nfs/dbraw/zinc/31/01/72/1287310172.db2.gz QCXNMPKLGIAIHW-FCLVOEFKSA-N 1 0 346.471 2.826 20 10 EFCDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000746983083 1277962898 /nfs/dbraw/zinc/96/28/98/1277962898.db2.gz RIVSRSJBMMLSQR-MRXNPFEDSA-N 1 0 344.503 2.743 20 10 EFCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000791137824 1277970804 /nfs/dbraw/zinc/97/08/04/1277970804.db2.gz JAQLRUPWRKSSSD-CQSZACIVSA-N 1 0 334.460 2.800 20 10 EFCDRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CCc1ccc(O)c(O)c1 ZINC001170407765 1279089368 /nfs/dbraw/zinc/08/93/68/1279089368.db2.gz OIKIXPCQAWBUKP-OAHLLOKOSA-N 1 0 329.396 2.980 20 10 EFCDRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CCc1cc(O)c(O)cc1O ZINC001170407939 1279091534 /nfs/dbraw/zinc/09/15/34/1279091534.db2.gz PNESYDYBODFTFV-AWEZNQCLSA-N 1 0 345.395 2.686 20 10 EFCDRO COc1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC2CCCC2)cc(OC)n1 ZINC001134872238 1287327365 /nfs/dbraw/zinc/32/73/65/1287327365.db2.gz JHTOPIQNKHURDY-KGLIPLIRSA-N 1 0 349.475 2.776 20 10 EFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3coc(C)n3)C2)cc1C ZINC001090997476 1279139918 /nfs/dbraw/zinc/13/99/18/1279139918.db2.gz DLYKUUMDCBIKNQ-UHFFFAOYSA-N 1 0 343.427 2.598 20 10 EFCDRO COc1ccc(CNC(=O)NCCC[N@H+](C)C2CCCCC2)c(O)c1 ZINC000792787374 1279151662 /nfs/dbraw/zinc/15/16/62/1279151662.db2.gz DKMLOLXAFQUFOG-UHFFFAOYSA-N 1 0 349.475 2.855 20 10 EFCDRO COc1cc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC=C(C)C)cc(OC)n1 ZINC001134873307 1287328747 /nfs/dbraw/zinc/32/87/47/1287328747.db2.gz VUHPZKZAMSXKEC-UONOGXRCSA-N 1 0 335.448 2.552 20 10 EFCDRO COc1ccc(CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c(O)c1 ZINC000792830142 1279188668 /nfs/dbraw/zinc/18/86/68/1279188668.db2.gz DWWYLKVJADITTR-HNNXBMFYSA-N 1 0 349.475 2.855 20 10 EFCDRO COC(=O)C(C)(C)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000792943599 1279268198 /nfs/dbraw/zinc/26/81/98/1279268198.db2.gz UZQLIGGAMZONFG-OAHLLOKOSA-N 1 0 334.460 2.763 20 10 EFCDRO COc1ccc(CNC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(O)c1 ZINC000792914430 1279272599 /nfs/dbraw/zinc/27/25/99/1279272599.db2.gz RXEAEMYBHHJWLT-ZNMIVQPWSA-N 1 0 349.475 2.566 20 10 EFCDRO CC(C)COC[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792930144 1279283339 /nfs/dbraw/zinc/28/33/39/1279283339.db2.gz IMVLUYAMBJJLMQ-OAHLLOKOSA-N 1 0 348.409 2.895 20 10 EFCDRO C[NH+](C)C1(CNC(=O)NCc2cc(Cl)ccc2O)CCCC1 ZINC000844852805 1279309445 /nfs/dbraw/zinc/30/94/45/1279309445.db2.gz OWMQQTXFPWJBHD-UHFFFAOYSA-N 1 0 325.840 2.719 20 10 EFCDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792992995 1279318737 /nfs/dbraw/zinc/31/87/37/1279318737.db2.gz QYDGEEVPZNRYGV-QMTHXVAHSA-N 1 0 336.423 2.973 20 10 EFCDRO C[C@H]1COCCN1CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793045034 1279340323 /nfs/dbraw/zinc/34/03/23/1279340323.db2.gz KRRABWBCERGVMJ-ZDUSSCGKSA-N 1 0 345.409 2.582 20 10 EFCDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845023365 1279400947 /nfs/dbraw/zinc/40/09/47/1279400947.db2.gz UBAGRUVWMJQYCM-KBPBESRZSA-N 1 0 325.840 2.718 20 10 EFCDRO CN(C)c1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000793187535 1279433631 /nfs/dbraw/zinc/43/36/31/1279433631.db2.gz JPQYBPFSZHGYDF-OKILXGFUSA-N 1 0 327.394 2.765 20 10 EFCDRO COc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(OC)cc2O)c1 ZINC000793386371 1279614414 /nfs/dbraw/zinc/61/44/14/1279614414.db2.gz NZIMADSRSFDLRI-CYBMUJFWSA-N 1 0 344.411 2.916 20 10 EFCDRO COc1ncc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1F ZINC001144463115 1279703787 /nfs/dbraw/zinc/70/37/87/1279703787.db2.gz PDMMMOAGOVFAIH-UHFFFAOYSA-N 1 0 345.418 2.698 20 10 EFCDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)n(C)n1 ZINC000793519278 1279714332 /nfs/dbraw/zinc/71/43/32/1279714332.db2.gz BWRGOXYEQCREJZ-MRXNPFEDSA-N 1 0 342.487 2.788 20 10 EFCDRO C[N@H+](Cc1c(O)cc(O)cc1O)C1CCN(Cc2ccccc2)CC1 ZINC001144504598 1279748888 /nfs/dbraw/zinc/74/88/88/1279748888.db2.gz WNVQZMSEZDKSOL-UHFFFAOYSA-N 1 0 342.439 2.900 20 10 EFCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)nc(C)n1 ZINC000793565713 1279751042 /nfs/dbraw/zinc/75/10/42/1279751042.db2.gz RHODWDUPXBVQFN-HNNXBMFYSA-N 1 0 326.444 2.781 20 10 EFCDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(N3CCCCC3)cc2)[C@@H](C)C1 ZINC000793593255 1279761566 /nfs/dbraw/zinc/76/15/66/1279761566.db2.gz WVDPMMOFJQKEQP-ROUUACIJSA-N 1 0 331.504 2.564 20 10 EFCDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(N3CCCCC3)cc2)[C@@H](C)C1 ZINC000793593257 1279761600 /nfs/dbraw/zinc/76/16/00/1279761600.db2.gz WVDPMMOFJQKEQP-ZWKOTPCHSA-N 1 0 331.504 2.564 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCC(n3cnc4ccccc43)CC2)c(O)c1 ZINC001144519907 1279763160 /nfs/dbraw/zinc/76/31/60/1279763160.db2.gz CPPCRXCFSWNZHJ-UHFFFAOYSA-N 1 0 339.395 2.990 20 10 EFCDRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1c(O)cccc1OC ZINC000793610067 1279772399 /nfs/dbraw/zinc/77/23/99/1279772399.db2.gz OCTZFDHSRSGAKU-ZBFHGGJFSA-N 1 0 343.423 2.911 20 10 EFCDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1c(O)cccc1OC ZINC000793610060 1279772921 /nfs/dbraw/zinc/77/29/21/1279772921.db2.gz OCTZFDHSRSGAKU-GOEBONIOSA-N 1 0 343.423 2.911 20 10 EFCDRO Cc1cccnc1O[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144516187 1279778286 /nfs/dbraw/zinc/77/82/86/1279778286.db2.gz SKZBHTAVWHLJBL-AWEZNQCLSA-N 1 0 330.384 2.550 20 10 EFCDRO c1csc(SCCC[NH2+]Cc2cnnn2-c2ccccc2)n1 ZINC000845938373 1279941419 /nfs/dbraw/zinc/94/14/19/1279941419.db2.gz HVWKURQSNAHJGR-UHFFFAOYSA-N 1 0 331.470 2.996 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2C(=O)N(C)C)c1 ZINC000845971439 1279947792 /nfs/dbraw/zinc/94/77/92/1279947792.db2.gz KJNKJUPVCYROFZ-CYBMUJFWSA-N 1 0 328.412 2.953 20 10 EFCDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000845971378 1279948708 /nfs/dbraw/zinc/94/87/08/1279948708.db2.gz JHFCRVLZHLYBOF-ZDUSSCGKSA-N 1 0 345.395 2.803 20 10 EFCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000846054913 1280003653 /nfs/dbraw/zinc/00/36/53/1280003653.db2.gz HVNXQADYRZLFNO-UHFFFAOYSA-N 1 0 326.805 2.837 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2=O)c1O ZINC000846150214 1280038737 /nfs/dbraw/zinc/03/87/37/1280038737.db2.gz BRRYRRITJYWADB-DOMZBBRYSA-N 1 0 344.386 2.996 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c1O ZINC000846156279 1280040883 /nfs/dbraw/zinc/04/08/83/1280040883.db2.gz DBIVPFGCMSSSQA-QRTARXTBSA-N 1 0 331.412 2.536 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c1O ZINC000846156999 1280041234 /nfs/dbraw/zinc/04/12/34/1280041234.db2.gz RCVIWBZQDBTMGY-ZYHUDNBSSA-N 1 0 346.349 2.605 20 10 EFCDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846162084 1280043033 /nfs/dbraw/zinc/04/30/33/1280043033.db2.gz AIAWAHGJJKNHHM-CHWSQXEVSA-N 1 0 336.432 2.918 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1O ZINC000846166801 1280044074 /nfs/dbraw/zinc/04/40/74/1280044074.db2.gz CWENBQMDNYBRHV-DEYYWGMASA-N 1 0 335.444 2.619 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]CCOCC(F)(F)C(F)F)c1O ZINC000846165089 1280044215 /nfs/dbraw/zinc/04/42/15/1280044215.db2.gz KPDUUHBOEXTHIX-VIFPVBQESA-N 1 0 325.302 2.968 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)c1O ZINC000846169119 1280045383 /nfs/dbraw/zinc/04/53/83/1280045383.db2.gz OUFBEFLDUFHYJF-ZENOOKHLSA-N 1 0 331.416 2.705 20 10 EFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)c1O ZINC000846170397 1280046756 /nfs/dbraw/zinc/04/67/56/1280046756.db2.gz KKAHSUJGFFIILW-LBRJOISOSA-N 1 0 332.444 2.698 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)c1O ZINC000846139414 1280049352 /nfs/dbraw/zinc/04/93/52/1280049352.db2.gz UJQSYNGBUUFXED-CYBMUJFWSA-N 1 0 328.412 2.953 20 10 EFCDRO COc1cccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccoc3)CC2)c1O ZINC000846139767 1280049752 /nfs/dbraw/zinc/04/97/52/1280049752.db2.gz ZQTUUDUVFNAJEN-CYBMUJFWSA-N 1 0 344.411 2.949 20 10 EFCDRO COCCOc1ncccc1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846140266 1280050033 /nfs/dbraw/zinc/05/00/33/1280050033.db2.gz LQVYHRMIWWMQGD-CYBMUJFWSA-N 1 0 332.400 2.672 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)COc2cccc(F)c2)c1O ZINC000846141908 1280050143 /nfs/dbraw/zinc/05/01/43/1280050143.db2.gz BPMBPYYERWQFHN-JSGCOSHPSA-N 1 0 335.375 2.630 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]Cc2ccccc2Cn2cncn2)c1O ZINC000846138134 1280050166 /nfs/dbraw/zinc/05/01/66/1280050166.db2.gz IKHYHANGTMALIM-AWEZNQCLSA-N 1 0 338.411 2.891 20 10 EFCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1O ZINC000846141145 1280051224 /nfs/dbraw/zinc/05/12/24/1280051224.db2.gz LAOOGARESGNMHA-RYUDHWBXSA-N 1 0 332.366 2.936 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)NCCC3(C[NH3+])CC3)cc2)CC1 ZINC000846145662 1280051914 /nfs/dbraw/zinc/05/19/14/1280051914.db2.gz NYSYDVJCDRFAEI-UHFFFAOYSA-N 1 0 344.503 2.851 20 10 EFCDRO CCN1C[C@H](C[NH2+][C@H](C)c2ccc(Br)cc2O)CC1=O ZINC000846210525 1280054753 /nfs/dbraw/zinc/05/47/53/1280054753.db2.gz YYMISGOLJIACLT-MNOVXSKESA-N 1 0 341.249 2.674 20 10 EFCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846442422 1280181994 /nfs/dbraw/zinc/18/19/94/1280181994.db2.gz QKWQYEWJDBIEDQ-HNNXBMFYSA-N 1 0 335.492 2.757 20 10 EFCDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CCO1 ZINC000872028687 1287405555 /nfs/dbraw/zinc/40/55/55/1287405555.db2.gz RYRQCOJIQHJXRR-OAHLLOKOSA-N 1 0 336.451 2.834 20 10 EFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCc3ccccc3C2)cc1 ZINC000846663665 1280380760 /nfs/dbraw/zinc/38/07/60/1280380760.db2.gz LGSLJKIIOTYBHA-AZUAARDMSA-N 1 0 337.467 2.674 20 10 EFCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000846696037 1280426997 /nfs/dbraw/zinc/42/69/97/1280426997.db2.gz CMQHOVGSDVPAAJ-IBGZPJMESA-N 1 0 341.455 2.598 20 10 EFCDRO COc1ccc(N(C)CCN(C)C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000846697653 1280430223 /nfs/dbraw/zinc/43/02/23/1280430223.db2.gz TZIWCPZCRJLDQH-IRXDYDNUSA-N 1 0 347.503 2.616 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NCC2CC([NH2+]CC3CCC3)C2)cc1 ZINC001091385247 1280452442 /nfs/dbraw/zinc/45/24/42/1280452442.db2.gz CDYQTZHUXHCHBQ-UHFFFAOYSA-N 1 0 343.431 2.747 20 10 EFCDRO C[C@H]([NH2+]CCCc1cncn1C)c1ccc(N2CCOCC2)cc1 ZINC000846845437 1280571659 /nfs/dbraw/zinc/57/16/59/1280571659.db2.gz OJOOAYJHFCWNTK-INIZCTEOSA-N 1 0 328.460 2.540 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc2nonc2c1)c1ccc(N2CCOCC2)cc1 ZINC000846846927 1280573824 /nfs/dbraw/zinc/57/38/24/1280573824.db2.gz YVMGWZIEGNMRKH-CQSZACIVSA-N 1 0 338.411 2.910 20 10 EFCDRO CC(=O)c1cc(F)cc(CN(CC[NH+](C)C)Cc2ccccn2)c1O ZINC000846942859 1280643770 /nfs/dbraw/zinc/64/37/70/1280643770.db2.gz NSCIMMSVNLWBRS-UHFFFAOYSA-N 1 0 345.418 2.693 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)Cc2nc(C)sc2C)cc1C ZINC001130274918 1280648714 /nfs/dbraw/zinc/64/87/14/1280648714.db2.gz KEAAZBBZQLCUIU-UHFFFAOYSA-N 1 0 347.484 2.525 20 10 EFCDRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000806663738 1281129927 /nfs/dbraw/zinc/12/99/27/1281129927.db2.gz SJVNGQJXLYWGLW-LRDDRELGSA-N 1 0 336.501 2.789 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000806821024 1281158618 /nfs/dbraw/zinc/15/86/18/1281158618.db2.gz JDEOTZIYSYQWLV-APWZRJJASA-N 1 0 344.503 2.829 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000806821030 1281160031 /nfs/dbraw/zinc/16/00/31/1281160031.db2.gz JDEOTZIYSYQWLV-VQIMIIECSA-N 1 0 344.503 2.829 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000103604105 1281306228 /nfs/dbraw/zinc/30/62/28/1281306228.db2.gz QXNILDNSSIXTIX-UONOGXRCSA-N 1 0 335.448 2.635 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000103609809 1281380960 /nfs/dbraw/zinc/38/09/60/1281380960.db2.gz ACXCRJTWKZUQEY-ZNMIVQPWSA-N 1 0 349.475 2.881 20 10 EFCDRO COC[C@@]1(C)CC(=O)N(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000747452374 1281511745 /nfs/dbraw/zinc/51/17/45/1281511745.db2.gz PUPXFRQUICDTNN-FQEVSTJZSA-N 1 0 347.503 2.806 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](OC)c2ccccc2)cc1C ZINC001148449956 1281556162 /nfs/dbraw/zinc/55/61/62/1281556162.db2.gz WGPCQDDICUKDKB-LJQANCHMSA-N 1 0 342.439 2.597 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2ncccc2Cl)cc1C ZINC001148501348 1281598744 /nfs/dbraw/zinc/59/87/44/1281598744.db2.gz LBKDYAUTXJMEOV-UHFFFAOYSA-N 1 0 333.819 2.572 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2ncc(Cl)s2)cc1C ZINC001131289125 1281702207 /nfs/dbraw/zinc/70/22/07/1281702207.db2.gz BCVDEWISLWHVLV-UHFFFAOYSA-N 1 0 339.848 2.633 20 10 EFCDRO C[NH+]1CCN(c2ccc(CN[C@@H](C3CC3)C(F)(F)F)cc2)CC1 ZINC000808438736 1281711846 /nfs/dbraw/zinc/71/18/46/1281711846.db2.gz MCWDAVVJSVESFW-INIZCTEOSA-N 1 0 327.394 2.869 20 10 EFCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(N(C)C)c(F)c3)[C@@H]2C1 ZINC000808445221 1281713529 /nfs/dbraw/zinc/71/35/29/1281713529.db2.gz BKXXSBUCXVHSHH-JZXOWHBKSA-N 1 0 333.451 2.628 20 10 EFCDRO CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)c1O ZINC000808445773 1281715727 /nfs/dbraw/zinc/71/57/27/1281715727.db2.gz ZIBSBODARFCPIH-GVDBMIGSSA-N 1 0 332.444 2.528 20 10 EFCDRO CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)c(O)c1 ZINC000808448205 1281715809 /nfs/dbraw/zinc/71/58/09/1281715809.db2.gz ZLENQGJKIUOKGB-KBAYOESNSA-N 1 0 332.444 2.528 20 10 EFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c1O ZINC000808706351 1281865693 /nfs/dbraw/zinc/86/56/93/1281865693.db2.gz HWMIKLQRJAACPJ-NSHDSACASA-N 1 0 331.865 2.829 20 10 EFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)c1O ZINC000808707771 1281868310 /nfs/dbraw/zinc/86/83/10/1281868310.db2.gz YFJINIYFENMXRX-XHDPSFHLSA-N 1 0 348.834 2.544 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc3ncccc3o2)cc1C ZINC001131443779 1281885664 /nfs/dbraw/zinc/88/56/64/1281885664.db2.gz VRVSWQDDQUUSIS-UHFFFAOYSA-N 1 0 339.395 2.664 20 10 EFCDRO O=C(C[NH2+][C@H]1CCc2c(F)cc(F)cc2C1)c1ccc(O)c(O)c1 ZINC001171349279 1281926723 /nfs/dbraw/zinc/92/67/23/1281926723.db2.gz HOWXQRLKTQEGAO-ZDUSSCGKSA-N 1 0 333.334 2.706 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)c2ncc(C)cc2C)cc1C ZINC001131598922 1282086514 /nfs/dbraw/zinc/08/65/14/1282086514.db2.gz MEYRXXQPTSUBJE-UHFFFAOYSA-N 1 0 327.428 2.535 20 10 EFCDRO CC(C)[N@H+](CC(N)=O)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809541559 1282278331 /nfs/dbraw/zinc/27/83/31/1282278331.db2.gz LQUCYVPZTUYRDX-UHFFFAOYSA-N 1 0 337.467 2.945 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3cnc([C@H](C)O)s3)CC2)cc1 ZINC000809612994 1282318130 /nfs/dbraw/zinc/31/81/30/1282318130.db2.gz HPOKSJRAWDLXJV-ZDUSSCGKSA-N 1 0 347.484 2.964 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@](C(=O)OC)(C(F)(F)F)C2)c(O)c1 ZINC000809695832 1282380698 /nfs/dbraw/zinc/38/06/98/1282380698.db2.gz ABQVVSXFDMXOLU-HNNXBMFYSA-N 1 0 347.333 2.718 20 10 EFCDRO CC[N@@H+]1CCN(Cc2cc(Br)cc(C)c2O)[C@@H](C)C1 ZINC000809697156 1282381783 /nfs/dbraw/zinc/38/17/83/1282381783.db2.gz CMFXZNZKZSZOJS-LBPRGKRZSA-N 1 0 327.266 2.989 20 10 EFCDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccc(N5CCOCC5)c(F)c4)[C@H]1[C@H]3C2 ZINC000809698517 1282383393 /nfs/dbraw/zinc/38/33/93/1282383393.db2.gz ZGPROFQTERZZHG-IEYYFSCXSA-N 1 0 346.446 2.518 20 10 EFCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809698513 1282383627 /nfs/dbraw/zinc/38/36/27/1282383627.db2.gz ZGPROFQTERZZHG-HRYJEPKJSA-N 1 0 346.446 2.518 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)cc1 ZINC000809700942 1282390300 /nfs/dbraw/zinc/39/03/00/1282390300.db2.gz RPXXTYQPIIYAET-PXNSSMCTSA-N 1 0 331.504 2.828 20 10 EFCDRO C[C@H](CO)[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC1CCC1 ZINC000809664556 1282391412 /nfs/dbraw/zinc/39/14/12/1282391412.db2.gz HEEAHIZWHXFMCV-OAHLLOKOSA-N 1 0 336.451 2.645 20 10 EFCDRO C[C@@H](CO)[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC1CCC1 ZINC000809664550 1282392356 /nfs/dbraw/zinc/39/23/56/1282392356.db2.gz HEEAHIZWHXFMCV-HNNXBMFYSA-N 1 0 336.451 2.645 20 10 EFCDRO C[NH+](C)CCN(Cc1ccc(F)cc1)Cc1cc2c(cc1O)OCO2 ZINC000809736189 1282416537 /nfs/dbraw/zinc/41/65/37/1282416537.db2.gz JJHPQTANRRWAJD-UHFFFAOYSA-N 1 0 346.402 2.824 20 10 EFCDRO COc1cccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC(C)C)c1O ZINC000809721498 1282425224 /nfs/dbraw/zinc/42/52/24/1282425224.db2.gz ZBIDPGYOLUNJOU-HNNXBMFYSA-N 1 0 336.432 2.890 20 10 EFCDRO CCOc1cccc(CN(CC[NH+](C)C)Cc2ccccn2)c1O ZINC000809741410 1282440860 /nfs/dbraw/zinc/44/08/60/1282440860.db2.gz TXNFRZUITPLKLO-UHFFFAOYSA-N 1 0 329.444 2.750 20 10 EFCDRO C[N@H+](Cc1ccc(O)cc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809753390 1282454673 /nfs/dbraw/zinc/45/46/73/1282454673.db2.gz HMANECLFMHESMI-UHFFFAOYSA-N 1 0 330.403 3.000 20 10 EFCDRO Cc1nccn1CCC[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809752341 1282455230 /nfs/dbraw/zinc/45/52/30/1282455230.db2.gz BDGAVNKCLNKBNT-UHFFFAOYSA-N 1 0 346.450 2.689 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@]1(C)CCCO1 ZINC000815564693 1287598660 /nfs/dbraw/zinc/59/86/60/1287598660.db2.gz PSFMXLSRBCGVAS-JXFKEZNVSA-N 1 0 332.488 2.943 20 10 EFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@@]1(C)CCCO1 ZINC000815564931 1287598762 /nfs/dbraw/zinc/59/87/62/1287598762.db2.gz XSXICCDWKQONDV-IFXJQAMLSA-N 1 0 336.451 2.834 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)CN(C)C(C)C)c1O ZINC000810163500 1282999901 /nfs/dbraw/zinc/99/99/01/1282999901.db2.gz WHCIRAUGCBUSRF-NSHDSACASA-N 1 0 345.281 2.982 20 10 EFCDRO COc1cc(Br)cc(C[NH2+][C@@H](CO)C2CCCC2)c1O ZINC000810177586 1283008265 /nfs/dbraw/zinc/00/82/65/1283008265.db2.gz AVBVIUHAOYNBFT-ZDUSSCGKSA-N 1 0 344.249 2.804 20 10 EFCDRO CC[C@H]([NH2+]CCS(=O)(=O)CC)c1ccc(C(F)(F)F)cc1O ZINC000810215695 1283040572 /nfs/dbraw/zinc/04/05/72/1283040572.db2.gz JYYQVKYDMDSYLL-LBPRGKRZSA-N 1 0 339.379 2.886 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@H](C)C(C)(C)n3cncn3)CC2)cc1 ZINC000810216437 1283041910 /nfs/dbraw/zinc/04/19/10/1283041910.db2.gz VXAZEJJFWRHQLX-OAHLLOKOSA-N 1 0 343.475 2.669 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H](C)C(C)(C)n3cncn3)CC2)cc1 ZINC000810216435 1283042569 /nfs/dbraw/zinc/04/25/69/1283042569.db2.gz VXAZEJJFWRHQLX-HNNXBMFYSA-N 1 0 343.475 2.669 20 10 EFCDRO C[C@@H]([NH2+]Cc1cncn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000810242646 1283098208 /nfs/dbraw/zinc/09/82/08/1283098208.db2.gz FRGOMOIJPCWILR-CYBMUJFWSA-N 1 0 334.851 2.761 20 10 EFCDRO COc1ccc(N2CCC([NH2+]Cc3ncccc3N(C)C)CC2)cc1 ZINC000810247777 1283100590 /nfs/dbraw/zinc/10/05/90/1283100590.db2.gz PPQCABNLPUKRDS-UHFFFAOYSA-N 1 0 340.471 2.915 20 10 EFCDRO CSC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC[NH+](C)CC1 ZINC000810251898 1283104855 /nfs/dbraw/zinc/10/48/55/1283104855.db2.gz BGSSTWNKTOKVIO-GFCCVEGCSA-N 1 0 339.461 2.778 20 10 EFCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815595563 1287621433 /nfs/dbraw/zinc/62/14/33/1287621433.db2.gz VIBNRAXZLOXMPF-ZJUUUORDSA-N 1 0 328.334 2.825 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2cnco2)cc1C ZINC001135117985 1287631591 /nfs/dbraw/zinc/63/15/91/1287631591.db2.gz FXEKWWRSYDWNKO-KBPBESRZSA-N 1 0 331.416 2.678 20 10 EFCDRO Oc1cccc(Br)c1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000715589035 1284234587 /nfs/dbraw/zinc/23/45/87/1284234587.db2.gz NHSWAUUWKPDJGL-UHFFFAOYSA-N 1 0 342.233 2.930 20 10 EFCDRO Oc1cc(Br)ccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000715603766 1284246823 /nfs/dbraw/zinc/24/68/23/1284246823.db2.gz GSOJSENAOJVHTL-UHFFFAOYSA-N 1 0 342.233 2.930 20 10 EFCDRO C[NH+]1CCC(C[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715792897 1284332207 /nfs/dbraw/zinc/33/22/07/1284332207.db2.gz SABZELUWFREQIS-UHFFFAOYSA-N 1 0 331.229 2.725 20 10 EFCDRO CCC[N@H+](CC)C[C@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000811520226 1284370042 /nfs/dbraw/zinc/37/00/42/1284370042.db2.gz LNJFDHAVWUNEPQ-LBPRGKRZSA-N 1 0 325.409 2.519 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CC2)c1 ZINC000811511953 1284389717 /nfs/dbraw/zinc/38/97/17/1284389717.db2.gz YIDNQYTWFUVVQG-OAHLLOKOSA-N 1 0 334.416 2.644 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2Cc3ccc(F)cc32)cc1C ZINC001132923857 1284473165 /nfs/dbraw/zinc/47/31/65/1284473165.db2.gz RCNKYWSVONOBDK-SFHVURJKSA-N 1 0 342.414 2.688 20 10 EFCDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000811929082 1284755377 /nfs/dbraw/zinc/75/53/77/1284755377.db2.gz AUOHJBCXZVDMPC-ZIAGYGMSSA-N 1 0 337.464 2.881 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c(O)c1 ZINC000812781784 1285414752 /nfs/dbraw/zinc/41/47/52/1285414752.db2.gz FWPYQGVPYGXSAW-HXUWFJFHSA-N 1 0 327.424 2.927 20 10 EFCDRO Cc1cc(CC[NH2+]C2CCS(=O)(=O)CC2)c(C)n1-c1ccccc1 ZINC000812822457 1285432323 /nfs/dbraw/zinc/43/23/23/1285432323.db2.gz NSIUVHCLDLPMBZ-UHFFFAOYSA-N 1 0 346.496 2.803 20 10 EFCDRO Oc1cc(O)c(CC[NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)cc1O ZINC001171454603 1285556045 /nfs/dbraw/zinc/55/60/45/1285556045.db2.gz VNKMNGAOPNNLNS-CYBMUJFWSA-N 1 0 335.350 2.771 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)C2CC2)C3)cc1C ZINC001094829786 1285665694 /nfs/dbraw/zinc/66/56/94/1285665694.db2.gz DQQVWCDEYYXHJS-JQHSSLGASA-N 1 0 328.456 2.883 20 10 EFCDRO COc1c(O)c(C[N@H+](C)C[C@](C)(O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000822517206 1289023453 /nfs/dbraw/zinc/02/34/53/1289023453.db2.gz UZYBONHSGKBMPD-SFHVURJKSA-N 1 0 346.383 2.649 20 10 EFCDRO COc1cc(C(=O)N[C@H](C)CCCC[NH2+]CC(C)C)cc(OC)n1 ZINC001171677067 1285709826 /nfs/dbraw/zinc/70/98/26/1285709826.db2.gz UHSDQJLGDJBHEW-CQSZACIVSA-N 1 0 337.464 2.633 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)cc1 ZINC001171720256 1285738892 /nfs/dbraw/zinc/73/88/92/1285738892.db2.gz ODVBSMUNRSNGJU-INIZCTEOSA-N 1 0 347.459 2.720 20 10 EFCDRO C[C@H]1C[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)CN1Cc1ccccc1 ZINC001171727427 1285744959 /nfs/dbraw/zinc/74/49/59/1285744959.db2.gz CHALFVFELRPZDR-WMLDXEAASA-N 1 0 342.439 2.599 20 10 EFCDRO Cc1cc(Br)c(O)c(CN2C[C@H]([NH3+])CC(F)(F)C2)c1 ZINC001206145925 1285799649 /nfs/dbraw/zinc/79/96/49/1285799649.db2.gz LNXDEACHQGGBOQ-SNVBAGLBSA-N 1 0 335.192 2.631 20 10 EFCDRO COCCN(C)c1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cn1 ZINC000813330686 1285814468 /nfs/dbraw/zinc/81/44/68/1285814468.db2.gz CVGXQYOVOQCJET-AWEZNQCLSA-N 1 0 345.443 2.729 20 10 EFCDRO Cc1cc(CNC[C@@H](O)C[NH+]2CCCC2)c(C)n1-c1cccc(C)c1 ZINC000747854571 1285875534 /nfs/dbraw/zinc/87/55/34/1285875534.db2.gz OWJOHDMBRUYOMQ-OAQYLSRUSA-N 1 0 341.499 2.949 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)COCC2CC2)cc1C ZINC001133779003 1285917417 /nfs/dbraw/zinc/91/74/17/1285917417.db2.gz JNWJDHYMSNKBDW-JKSUJKDBSA-N 1 0 348.487 2.803 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2cnsn2)cc1C ZINC001133785306 1285935089 /nfs/dbraw/zinc/93/50/89/1285935089.db2.gz MSEZWIDIEVHANI-CHWSQXEVSA-N 1 0 348.472 2.542 20 10 EFCDRO C[NH+](C)C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000813617897 1286026230 /nfs/dbraw/zinc/02/62/30/1286026230.db2.gz FECWNYMPWNSEGQ-AGHZKPIHSA-N 1 0 344.386 2.669 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2ncoc2C)cc1C ZINC001133848084 1286027622 /nfs/dbraw/zinc/02/76/22/1286027622.db2.gz GOJZXHOLUPEYSP-ZIAGYGMSSA-N 1 0 345.443 2.987 20 10 EFCDRO CCCOCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133883868 1286051222 /nfs/dbraw/zinc/05/12/22/1286051222.db2.gz HTRPZFKTKZRVPM-HOTGVXAUSA-N 1 0 336.476 2.803 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2cc(C)n[nH]2)cc1C ZINC001133876054 1286061730 /nfs/dbraw/zinc/06/17/30/1286061730.db2.gz QZGSBFRLMHZFFV-UONOGXRCSA-N 1 0 344.459 2.722 20 10 EFCDRO COc1cc(Br)cc(C[NH2+]Cc2snnc2C)c1O ZINC000813790257 1286120829 /nfs/dbraw/zinc/12/08/29/1286120829.db2.gz MBZPYXKJGHRATR-UHFFFAOYSA-N 1 0 344.234 2.613 20 10 EFCDRO CCOc1ccc(N2CC[NH+]([C@@H]3CCC[C@H](C(=O)OC)C3)CC2)cc1 ZINC001172638848 1286215496 /nfs/dbraw/zinc/21/54/96/1286215496.db2.gz ZBOPQQCXJOGIMC-FUHWJXTLSA-N 1 0 346.471 2.939 20 10 EFCDRO CCOc1ccc(N2CC[NH+]([C@H]3CCC[C@H](C(=O)OC)C3)CC2)cc1 ZINC001172638852 1286216023 /nfs/dbraw/zinc/21/60/23/1286216023.db2.gz ZBOPQQCXJOGIMC-WMZOPIPTSA-N 1 0 346.471 2.939 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2ocnc2C)cc1C ZINC001134022748 1286224396 /nfs/dbraw/zinc/22/43/96/1286224396.db2.gz UTTOEERWSYFGSE-UONOGXRCSA-N 1 0 345.443 2.987 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2ocnc2C)cc1C ZINC001134022747 1286224766 /nfs/dbraw/zinc/22/47/66/1286224766.db2.gz UTTOEERWSYFGSE-KGLIPLIRSA-N 1 0 345.443 2.987 20 10 EFCDRO CC(C)OC(=O)CC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001172748580 1286255117 /nfs/dbraw/zinc/25/51/17/1286255117.db2.gz RYIZCGXGNNUTIJ-MRXNPFEDSA-N 1 0 334.460 2.733 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@H]3CCC[C@@H](OC)C3)CC2)c(OC)c1 ZINC001172949127 1286367636 /nfs/dbraw/zinc/36/76/36/1286367636.db2.gz IWIDERVCVKTWLQ-JKSUJKDBSA-N 1 0 334.460 2.783 20 10 EFCDRO COc1ccc(N2CC[NH+]([C@@H]3CCC[C@H](OC)C3)CC2)c(OC)c1 ZINC001172949124 1286367721 /nfs/dbraw/zinc/36/77/21/1286367721.db2.gz IWIDERVCVKTWLQ-CVEARBPZSA-N 1 0 334.460 2.783 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2coc(C)n2)cc1C ZINC001134173467 1286410675 /nfs/dbraw/zinc/41/06/75/1286410675.db2.gz TWZYFDZNULCQBV-UONOGXRCSA-N 1 0 345.443 2.987 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)CCCC(F)(F)F)cc1C ZINC001134232217 1286479061 /nfs/dbraw/zinc/47/90/61/1286479061.db2.gz SHTWTSZJMVNASJ-UHFFFAOYSA-N 1 0 332.366 2.942 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2n[nH]cc2C)cc1C ZINC001134303259 1286544858 /nfs/dbraw/zinc/54/48/58/1286544858.db2.gz QNGUKJNQIFBTSN-CABCVRRESA-N 1 0 344.459 2.722 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CC2(O)CCC2)cc1C ZINC001134308579 1286549417 /nfs/dbraw/zinc/54/94/17/1286549417.db2.gz UUKSRPVKICAEEC-CVEARBPZSA-N 1 0 348.487 2.682 20 10 EFCDRO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001173629457 1286721985 /nfs/dbraw/zinc/72/19/85/1286721985.db2.gz YPUMRRCYEMWERF-QZTJIDSGSA-N 1 0 346.471 2.735 20 10 EFCDRO CCOC(=O)C[C@@H]1CC[C@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001173661073 1286740761 /nfs/dbraw/zinc/74/07/61/1286740761.db2.gz OUPGEHJRNPBWQQ-CJNGLKHVSA-N 1 0 333.428 2.968 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](F)c2ccccc2)cc1C ZINC001134440520 1286744645 /nfs/dbraw/zinc/74/46/45/1286744645.db2.gz QJIONCAEWUIAOK-GOSISDBHSA-N 1 0 330.403 2.920 20 10 EFCDRO CCOC(=O)C[C@H]1CC[C@@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001173647794 1286754612 /nfs/dbraw/zinc/75/46/12/1286754612.db2.gz FIIVEVQHIYCEIT-FUHWJXTLSA-N 1 0 346.471 2.939 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173761943 1286781567 /nfs/dbraw/zinc/78/15/67/1286781567.db2.gz XJSZGCDFCVHTRO-RTBURBONSA-N 1 0 340.475 2.889 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173761942 1286782552 /nfs/dbraw/zinc/78/25/52/1286782552.db2.gz XJSZGCDFCVHTRO-RBUKOAKNSA-N 1 0 340.475 2.889 20 10 EFCDRO Cc1cc(Nc2ccc(I)cc2O)cc[nH+]1 ZINC001174656190 1287119487 /nfs/dbraw/zinc/11/94/87/1287119487.db2.gz GJXXBJQEWYGRLI-UHFFFAOYSA-N 1 0 326.137 2.866 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H](OC)C2CCCC2)cc1C ZINC001174804275 1287189334 /nfs/dbraw/zinc/18/93/34/1287189334.db2.gz QAAJWDXDROCZKX-LJQANCHMSA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)c2c(C)noc2C)cc1C ZINC001135312692 1287940893 /nfs/dbraw/zinc/94/08/93/1287940893.db2.gz BTPARHYRPLWTFV-ZDUSSCGKSA-N 1 0 345.443 2.618 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2n[nH]cc2F)cc1C ZINC001135407228 1288002351 /nfs/dbraw/zinc/00/23/51/1288002351.db2.gz GCGVEUROCLFWSU-STQMWFEESA-N 1 0 348.422 2.553 20 10 EFCDRO Oc1c(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc2ccccc21 ZINC000816502452 1288172901 /nfs/dbraw/zinc/17/29/01/1288172901.db2.gz BKBCIZGRJWOYIO-RTBURBONSA-N 1 0 326.440 2.576 20 10 EFCDRO Cn1cc(CN2CC[NH+](Cc3ccc4ccccc4c3O)CC2)cn1 ZINC000816502061 1288172931 /nfs/dbraw/zinc/17/29/31/1288172931.db2.gz MIKNDKLNWKAFCJ-UHFFFAOYSA-N 1 0 336.439 2.597 20 10 EFCDRO Oc1c(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc2ccccc21 ZINC000816502449 1288173127 /nfs/dbraw/zinc/17/31/27/1288173127.db2.gz BKBCIZGRJWOYIO-MOPGFXCFSA-N 1 0 326.440 2.576 20 10 EFCDRO CN(C)c1ccc(C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)cc1F ZINC000816543612 1288197315 /nfs/dbraw/zinc/19/73/15/1288197315.db2.gz HWJVWOXUMSENOJ-UHFFFAOYSA-N 1 0 329.375 2.626 20 10 EFCDRO NC(=O)COc1cccc(C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816554877 1288210645 /nfs/dbraw/zinc/21/06/45/1288210645.db2.gz LLSISRCIQJPRFE-UHFFFAOYSA-N 1 0 336.391 2.699 20 10 EFCDRO O=C1COc2ccc(C[NH2+]CCCSc3nccs3)cc2N1 ZINC000816553416 1288211017 /nfs/dbraw/zinc/21/10/17/1288211017.db2.gz URFRWDASLFCZCZ-UHFFFAOYSA-N 1 0 335.454 2.746 20 10 EFCDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCCSc2nccs2)C1 ZINC000816553459 1288211125 /nfs/dbraw/zinc/21/11/25/1288211125.db2.gz WEQSRARPPHSUTN-RYUDHWBXSA-N 1 0 334.532 2.571 20 10 EFCDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816609054 1288222457 /nfs/dbraw/zinc/22/24/57/1288222457.db2.gz QQPQDGYDKVFUON-MAUKXSAKSA-N 1 0 326.440 2.840 20 10 EFCDRO Cc1cc(O)c(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)cc1C ZINC000816641457 1288226884 /nfs/dbraw/zinc/22/68/84/1288226884.db2.gz SOYYJQNSSURGJS-LJQANCHMSA-N 1 0 338.451 2.942 20 10 EFCDRO CC[C@@H]1C[N@H+](C)CCN1Cc1cc(C)cc(Br)c1O ZINC000816660946 1288233781 /nfs/dbraw/zinc/23/37/81/1288233781.db2.gz VVKCNRLJBXJTEH-CYBMUJFWSA-N 1 0 327.266 2.989 20 10 EFCDRO CC(C)(C)OC(=O)CC[NH2+]Cc1ccc(Br)cc1O ZINC000825304473 1291154088 /nfs/dbraw/zinc/15/40/88/1291154088.db2.gz YUYGWCMSFDGMHP-UHFFFAOYSA-N 1 0 330.222 2.976 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2nc(C)c[nH]2)cc1C ZINC001135666781 1288246205 /nfs/dbraw/zinc/24/62/05/1288246205.db2.gz IKMDZTZIQQPOHB-ZIAGYGMSSA-N 1 0 344.459 2.722 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2nc(C)c[nH]2)cc1C ZINC001135666778 1288246406 /nfs/dbraw/zinc/24/64/06/1288246406.db2.gz IKMDZTZIQQPOHB-KBPBESRZSA-N 1 0 344.459 2.722 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H](C)C[C@@H]2CCCO2)cc1C ZINC001177228818 1288337010 /nfs/dbraw/zinc/33/70/10/1288337010.db2.gz GSSMJOIKNWOBKP-AEFFLSMTSA-N 1 0 348.487 2.805 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NCCC[NH2+]CCC(F)(F)F)cc1 ZINC001177237656 1288341732 /nfs/dbraw/zinc/34/17/32/1288341732.db2.gz IAAYPGCXLJHDAK-UHFFFAOYSA-N 1 0 345.325 2.511 20 10 EFCDRO CCC(CC)C[NH2+]CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177237850 1288342168 /nfs/dbraw/zinc/34/21/68/1288342168.db2.gz NIUYUDAKHOZDQZ-UHFFFAOYSA-N 1 0 333.436 2.995 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCC[C@H]2OC)cc1C ZINC001177255461 1288352397 /nfs/dbraw/zinc/35/23/97/1288352397.db2.gz MIIZJXUOJBQPNM-PKOBYXMFSA-N 1 0 348.487 2.805 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cnco3)C2)cc1C ZINC001086770778 1288373130 /nfs/dbraw/zinc/37/31/30/1288373130.db2.gz ZYGKFGFXZPKPJZ-JKSUJKDBSA-N 1 0 343.427 2.680 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000817153472 1288444392 /nfs/dbraw/zinc/44/43/92/1288444392.db2.gz CORMZYNFEYLKKD-SFHVURJKSA-N 1 0 332.492 2.768 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817171591 1288447994 /nfs/dbraw/zinc/44/79/94/1288447994.db2.gz YLRPVNHSVLMLBZ-APWZRJJASA-N 1 0 346.519 2.728 20 10 EFCDRO C[N@H+](Cc1ccc(CN2CCOCC2)cc1)Cc1ccccc1O ZINC000817276242 1288520327 /nfs/dbraw/zinc/52/03/27/1288520327.db2.gz WHNJQWQVIDPPDF-UHFFFAOYSA-N 1 0 326.440 2.856 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2nocc2C)cc1C ZINC001135876060 1288533411 /nfs/dbraw/zinc/53/34/11/1288533411.db2.gz JMPQCVORGRNVLZ-GJZGRUSLSA-N 1 0 345.443 2.987 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)C2(OC)CCOCC2)c1O ZINC000817420671 1288595388 /nfs/dbraw/zinc/59/53/88/1288595388.db2.gz XFYQYVMYQXZAKL-LLVKDONJSA-N 1 0 329.824 2.728 20 10 EFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC2(CC(N)=O)CC2)c1O ZINC000817586221 1288664485 /nfs/dbraw/zinc/66/44/85/1288664485.db2.gz MMRDGNBADOIAHV-JTQLQIEISA-N 1 0 341.249 2.769 20 10 EFCDRO COc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1O ZINC000822527072 1289009516 /nfs/dbraw/zinc/00/95/16/1289009516.db2.gz YJYLMABQHPYBCS-OAHLLOKOSA-N 1 0 347.459 2.607 20 10 EFCDRO Cc1cccc(C[N@H+](C)CCCN2C(=O)c3ccccc3C2=O)c1O ZINC000822526844 1289009533 /nfs/dbraw/zinc/00/95/33/1289009533.db2.gz ZQCYUPYNFXGIQU-UHFFFAOYSA-N 1 0 338.407 2.819 20 10 EFCDRO CC(C)(C)NC(=O)[C@H]1CC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001277656444 1312689298 /nfs/dbraw/zinc/68/92/98/1312689298.db2.gz CHHQGIWYQDUTLU-OAHLLOKOSA-N 1 0 332.444 2.615 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@@H]2CC[C@H](C)O2)cc1C ZINC001165836575 1312690064 /nfs/dbraw/zinc/69/00/64/1312690064.db2.gz BKADYICCWGOXDU-RDJZCZTQSA-N 1 0 334.460 2.557 20 10 EFCDRO NC(=O)CC1CCC2(CC1)CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001277657942 1312690939 /nfs/dbraw/zinc/69/09/39/1312690939.db2.gz VAOHBAGUXSDLLP-UHFFFAOYSA-N 1 0 332.444 2.746 20 10 EFCDRO C[NH+]1C(C)(C)CC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1(C)C ZINC001179689076 1289219632 /nfs/dbraw/zinc/21/96/32/1289219632.db2.gz BZQREOUIVYXXNM-VQHVLOKHSA-N 1 0 332.444 2.879 20 10 EFCDRO CCn1cc([C@H](C)[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000903447698 1312693548 /nfs/dbraw/zinc/69/35/48/1312693548.db2.gz BEZZYQATBUUXIW-HNAYVOBHSA-N 1 0 329.492 2.923 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCCC[C@@](O)(CF)C2)c2ccccc2n1C ZINC001232401720 1312693778 /nfs/dbraw/zinc/69/37/78/1312693778.db2.gz CIJUJHKKHLNYQH-LJQANCHMSA-N 1 0 348.418 2.651 20 10 EFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)cc1 ZINC000823201783 1289240743 /nfs/dbraw/zinc/24/07/43/1289240743.db2.gz JPRJGFTWDCPPRL-LPHOPBHVSA-N 1 0 345.487 2.511 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cc[nH]c(=O)c1 ZINC000903448005 1312693981 /nfs/dbraw/zinc/69/39/81/1312693981.db2.gz HOIUEASLNGAAMB-KDOFPFPSSA-N 1 0 328.460 2.807 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@]3(CCOC3)C2)c2ccccc2n1C ZINC001232402160 1312694363 /nfs/dbraw/zinc/69/43/63/1312694363.db2.gz IDNSNXDIMDSUBE-IBGZPJMESA-N 1 0 328.412 2.577 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)c2ccccc2n1C ZINC001232402503 1312694389 /nfs/dbraw/zinc/69/43/89/1312694389.db2.gz OWRIUYUNJBYCDF-CXAGYDPISA-N 1 0 330.428 2.558 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@H](C)[C@H]2CO)c2ccccc2n1C ZINC001232401895 1312694457 /nfs/dbraw/zinc/69/44/57/1312694457.db2.gz FWNIYBXDGVOKPM-SUMWQHHRSA-N 1 0 330.428 2.558 20 10 EFCDRO COC(=O)c1c(CN2CC[C@H]([NH+]3CCCC3)C2)c2ccccc2n1C ZINC001232404343 1312694870 /nfs/dbraw/zinc/69/48/70/1312694870.db2.gz RLWUTRWFAIDIOE-HNNXBMFYSA-N 1 0 341.455 2.635 20 10 EFCDRO COC(=O)c1c(CN2CC[C@H]([N@H+](C)C(C)C)C2)c2ccccc2n1C ZINC001232404668 1312695292 /nfs/dbraw/zinc/69/52/92/1312695292.db2.gz WTGZIGGUGSGLJA-HNNXBMFYSA-N 1 0 343.471 2.879 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CCCOC(C)(C)C2)c2ccccc2n1C ZINC001232406872 1312695466 /nfs/dbraw/zinc/69/54/66/1312695466.db2.gz IXGKUPCOQPCARY-UHFFFAOYSA-N 1 0 330.428 2.966 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c2ccccc2n1C ZINC001232405572 1312695521 /nfs/dbraw/zinc/69/55/21/1312695521.db2.gz MXJBQNLLKQVVOF-DYVFJYSZSA-N 1 0 328.412 2.576 20 10 EFCDRO CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903449026 1312695713 /nfs/dbraw/zinc/69/57/13/1312695713.db2.gz VLRDFLKBXNWCJG-WOJBJXKFSA-N 1 0 343.519 2.866 20 10 EFCDRO Cc1nccnc1[C@@H](C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903449348 1312695810 /nfs/dbraw/zinc/69/58/10/1312695810.db2.gz XQDQARLHFPLOFQ-QAPCUYQASA-N 1 0 327.476 2.805 20 10 EFCDRO COC(=O)c1c(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c2ccccc2n1C ZINC001232410824 1312697306 /nfs/dbraw/zinc/69/73/06/1312697306.db2.gz TYCMQHLKZXGLTL-ZFWWWQNUSA-N 1 0 340.423 2.766 20 10 EFCDRO Cc1cc(O)c(CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1Cl ZINC000825628956 1289390534 /nfs/dbraw/zinc/39/05/34/1289390534.db2.gz NZQDWBUARRKRGP-ZDUSSCGKSA-N 1 0 326.868 2.631 20 10 EFCDRO CN(C)c1ccc(/C=C/C(=O)N2CC3(C2)CC[N@H+](CC2CC2)C3)cc1 ZINC001180125248 1289427322 /nfs/dbraw/zinc/42/73/22/1289427322.db2.gz AJWJLYAJDMPOLP-JXMROGBWSA-N 1 0 339.483 2.710 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C3CC3)CC2)cc1Cn1cccn1 ZINC000873009955 1289517125 /nfs/dbraw/zinc/51/71/25/1289517125.db2.gz XRESBLOFTWBASK-UHFFFAOYSA-N 1 0 340.471 2.656 20 10 EFCDRO CC[C@H](C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)N1CCCC1 ZINC000873013015 1289519830 /nfs/dbraw/zinc/51/98/30/1289519830.db2.gz QUKJNIUQJAXOLM-LJQANCHMSA-N 1 0 342.487 2.904 20 10 EFCDRO COc1ccc(C[NH2+]CCCCn2ccnc2)cc1Cn1cccn1 ZINC000873023123 1289525471 /nfs/dbraw/zinc/52/54/71/1289525471.db2.gz XWLYPFVVAKCCGA-UHFFFAOYSA-N 1 0 339.443 2.707 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C2CC2)cc1Cn1cccn1 ZINC000873045752 1289538497 /nfs/dbraw/zinc/53/84/97/1289538497.db2.gz KYJCSOYCAKWBBG-HNNXBMFYSA-N 1 0 328.460 2.512 20 10 EFCDRO COc1ccc(C[NH2+]Cc2scnc2C)cc1Cn1cccn1 ZINC000873047116 1289539438 /nfs/dbraw/zinc/53/94/38/1289539438.db2.gz WPLFTQJULHGMAD-UHFFFAOYSA-N 1 0 328.441 2.995 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1Cn1cccn1 ZINC000873060572 1289545104 /nfs/dbraw/zinc/54/51/04/1289545104.db2.gz JHOLGUYUMXJXQW-QXAKKESOSA-N 1 0 341.455 2.843 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1Cn1cccn1 ZINC000873060566 1289545256 /nfs/dbraw/zinc/54/52/56/1289545256.db2.gz JGKUFWGXQCNJTM-CRAIPNDOSA-N 1 0 329.444 2.581 20 10 EFCDRO COc1ccc(C[NH2+]C(C)(C)c2cnn(C)c2)cc1Cn1cccn1 ZINC000873059911 1289545381 /nfs/dbraw/zinc/54/53/81/1289545381.db2.gz AWMMCHUUKBQHGY-UHFFFAOYSA-N 1 0 339.443 2.698 20 10 EFCDRO COc1ccc(C[NH2+]C[C@]2(C)CCCC[C@@H]2O)cc1Cn1cccn1 ZINC000873072666 1289552564 /nfs/dbraw/zinc/55/25/64/1289552564.db2.gz ZVXIHLCINXTMSR-PMACEKPBSA-N 1 0 343.471 2.971 20 10 EFCDRO COc1ccc(C[NH2+]CC2(C)CCOCC2)cc1Cn1cccn1 ZINC000873075186 1289554074 /nfs/dbraw/zinc/55/40/74/1289554074.db2.gz SBEMNVURMYTWDO-UHFFFAOYSA-N 1 0 329.444 2.846 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](OC)C2(C)C)cc1Cn1cccn1 ZINC000873075551 1289555815 /nfs/dbraw/zinc/55/58/15/1289555815.db2.gz XJHRPMPPEWVBKM-ROUUACIJSA-N 1 0 329.444 2.843 20 10 EFCDRO COc1ccc(C[NH2+]CC[C@H]2CCCCO2)cc1Cn1cccn1 ZINC000873102012 1289568499 /nfs/dbraw/zinc/56/84/99/1289568499.db2.gz KHUYXTUBEOWGET-GOSISDBHSA-N 1 0 329.444 2.989 20 10 EFCDRO COc1ccc(C[NH2+]CCC[C@H]2CCOC2)cc1Cn1cccn1 ZINC000873129028 1289584998 /nfs/dbraw/zinc/58/49/98/1289584998.db2.gz FLJLQTYPYGXYMX-INIZCTEOSA-N 1 0 329.444 2.846 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)cc1Cn1cccn1 ZINC000873130985 1289586377 /nfs/dbraw/zinc/58/63/77/1289586377.db2.gz NFUGSPYZWKLGTG-RTBURBONSA-N 1 0 341.455 2.987 20 10 EFCDRO COc1ccc(CN[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1Cn1cccn1 ZINC000873135621 1289591338 /nfs/dbraw/zinc/59/13/38/1289591338.db2.gz YWHXTGGSWZAXFT-GOSISDBHSA-N 1 0 342.487 2.902 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1Cn1cccn1 ZINC000873142723 1289596451 /nfs/dbraw/zinc/59/64/51/1289596451.db2.gz VDZVPRHPJLDZBN-GOSISDBHSA-N 1 0 342.487 2.762 20 10 EFCDRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000873193878 1289632065 /nfs/dbraw/zinc/63/20/65/1289632065.db2.gz DUCVAYQUTQJLKL-VBKZILBWSA-N 1 0 344.455 2.982 20 10 EFCDRO CN(C)c1ccc2c(c1)OCCN2Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208135 1289644734 /nfs/dbraw/zinc/64/47/34/1289644734.db2.gz CDYVPDGOUZNTIQ-UHFFFAOYSA-N 1 0 329.469 2.859 20 10 EFCDRO C[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[N@@H+](C2CC2)C1 ZINC000824446457 1289652864 /nfs/dbraw/zinc/65/28/64/1289652864.db2.gz XIZFDNDXKCNFTH-INIZCTEOSA-N 1 0 347.478 2.578 20 10 EFCDRO CCC[N@H+](Cc1cc(Cl)c(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000824521401 1289681842 /nfs/dbraw/zinc/68/18/42/1289681842.db2.gz FGQBBXXWHWRODW-CYBMUJFWSA-N 1 0 331.865 2.753 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CSC(C)C)C2)cc1C ZINC001181115346 1289703684 /nfs/dbraw/zinc/70/36/84/1289703684.db2.gz MKGRTRFTAWXDAS-MRXNPFEDSA-N 1 0 336.501 2.836 20 10 EFCDRO CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016367043 1312745919 /nfs/dbraw/zinc/74/59/19/1312745919.db2.gz HRFAGFHWSRLWKD-HNNXBMFYSA-N 1 0 329.404 2.619 20 10 EFCDRO CC1CC(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001016370019 1312748126 /nfs/dbraw/zinc/74/81/26/1312748126.db2.gz XJAYNEHHWVQAQF-SEEARECTSA-N 1 0 343.431 2.699 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)Cc2occc2C)cc1C ZINC001166277659 1312755263 /nfs/dbraw/zinc/75/52/63/1312755263.db2.gz WRUDRGAOGJVKMM-UHFFFAOYSA-N 1 0 330.428 2.744 20 10 EFCDRO CC(C)CN(C(=O)CCc1ccc(O)c(O)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001182157490 1290097542 /nfs/dbraw/zinc/09/75/42/1290097542.db2.gz RSYLYUOOEQJBST-WKILWMFISA-N 1 0 334.460 2.785 20 10 EFCDRO CN1CCCc2cc(CNC(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)ccc21 ZINC000247237687 1290149415 /nfs/dbraw/zinc/14/94/15/1290149415.db2.gz ZSGDJGUTOPYAQS-ZWKOTPCHSA-N 1 0 344.503 2.741 20 10 EFCDRO CN1CCCc2cc(CNC(=O)[C@@H]3CC[N@@H+]3C3CCCC3)ccc21 ZINC000874251487 1290236434 /nfs/dbraw/zinc/23/64/34/1290236434.db2.gz LJBFRTZHPMPTAJ-IBGZPJMESA-N 1 0 327.472 2.702 20 10 EFCDRO C[C@H]1OCC[C@]12CN(Cc1ccc(Br)cc1O)CCO2 ZINC000825738649 1290262812 /nfs/dbraw/zinc/26/28/12/1290262812.db2.gz RDEFZAXHVNPFPN-ABAIWWIYSA-N 1 0 342.233 2.535 20 10 EFCDRO COc1cc(Br)cc(C[N@H+]2CCC[C@H](OC)C2)c1O ZINC000091772307 1290429002 /nfs/dbraw/zinc/42/90/02/1290429002.db2.gz LLPISADTPRSMOW-LBPRGKRZSA-N 1 0 330.222 2.774 20 10 EFCDRO CC(C)[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001037136619 1290432160 /nfs/dbraw/zinc/43/21/60/1290432160.db2.gz XERQOIQMMLMELY-ZFWWWQNUSA-N 1 0 331.420 2.746 20 10 EFCDRO COc1cccc(C[NH+]2CCC3(CC(=O)N(C(C)C)C3)CC2)c1O ZINC001203601919 1290545744 /nfs/dbraw/zinc/54/57/44/1290545744.db2.gz QVIJCQPDEYTWDY-UHFFFAOYSA-N 1 0 332.444 2.624 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232833515 1312790411 /nfs/dbraw/zinc/79/04/11/1312790411.db2.gz AHPNCVOEVHHYMP-HNNXBMFYSA-N 1 0 349.475 2.947 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001232834816 1312790816 /nfs/dbraw/zinc/79/08/16/1312790816.db2.gz NMJWEDXTPIUSHV-UHFFFAOYSA-N 1 0 337.464 2.757 20 10 EFCDRO COc1ccccc1N1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232835181 1312790891 /nfs/dbraw/zinc/79/08/91/1312790891.db2.gz YQGBBCDHTCNEFY-UHFFFAOYSA-N 1 0 341.455 2.789 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c(O)c1 ZINC001232834912 1312790951 /nfs/dbraw/zinc/79/09/51/1312790951.db2.gz PSOMGKCJLCJMHK-UHFFFAOYSA-N 1 0 343.446 2.915 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCCN(c3ccc(F)cn3)CC2)c(O)c1 ZINC001232835162 1312791069 /nfs/dbraw/zinc/79/10/69/1312791069.db2.gz YDEVOISJMWRCOQ-UHFFFAOYSA-N 1 0 344.434 2.705 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001232836030 1312791800 /nfs/dbraw/zinc/79/18/00/1312791800.db2.gz KGOCVSCXWPNEOT-HOTGVXAUSA-N 1 0 347.459 2.652 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001232836534 1312791915 /nfs/dbraw/zinc/79/19/15/1312791915.db2.gz PJCVNDBTDVFLFW-OAHLLOKOSA-N 1 0 332.366 2.738 20 10 EFCDRO CN(C)c1ccc(C[N@H+](C)CCCC(=O)c2cccnc2)c(O)c1 ZINC001232839320 1312792528 /nfs/dbraw/zinc/79/25/28/1312792528.db2.gz GBBBXNCQCFQBCM-UHFFFAOYSA-N 1 0 327.428 2.948 20 10 EFCDRO CCc1noc([C@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3O)C2)n1 ZINC001232840080 1312792532 /nfs/dbraw/zinc/79/25/32/1312792532.db2.gz LZPXPUDCOJPHLY-AWEZNQCLSA-N 1 0 330.432 2.783 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c(O)c1 ZINC001232839826 1312792568 /nfs/dbraw/zinc/79/25/68/1312792568.db2.gz WUFDJJXEKRHTEP-UHFFFAOYSA-N 1 0 345.487 2.683 20 10 EFCDRO CC[C@@H]1[N@H+](Cc2ccc(N(C)C)cc2O)CCC[C@]12CCC(=O)N2C ZINC001232838249 1312792657 /nfs/dbraw/zinc/79/26/57/1312792657.db2.gz RHXUTRBFNDEBEB-ICSRJNTNSA-N 1 0 345.487 2.824 20 10 EFCDRO COc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3O)C2)nc1 ZINC001232841538 1312792794 /nfs/dbraw/zinc/79/27/94/1312792794.db2.gz IVJREUOHZPQZAH-QGZVFWFLSA-N 1 0 343.427 2.515 20 10 EFCDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(N(C)C)cc1O ZINC001232840858 1312792904 /nfs/dbraw/zinc/79/29/04/1312792904.db2.gz MLQZPMBVZRUKQA-UHFFFAOYSA-N 1 0 337.464 2.805 20 10 EFCDRO COC(=O)c1ccc(C2C[NH+](Cc3ccc(N(C)C)cc3O)C2)cc1 ZINC001232841482 1312792912 /nfs/dbraw/zinc/79/29/12/1312792912.db2.gz IBYITUXVENDNSZ-UHFFFAOYSA-N 1 0 340.423 2.844 20 10 EFCDRO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3O)C2)nc1 ZINC001232841351 1312793145 /nfs/dbraw/zinc/79/31/45/1312793145.db2.gz DIVNOQILPIPNSK-QGZVFWFLSA-N 1 0 327.428 2.815 20 10 EFCDRO Cc1nccnc1O[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232841545 1312793177 /nfs/dbraw/zinc/79/31/77/1312793177.db2.gz JEJPSCKRSXUPPF-QGZVFWFLSA-N 1 0 342.443 2.600 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCN3CCc4ccccc4[C@@H]3C2)c(O)c1 ZINC001232840664 1312793244 /nfs/dbraw/zinc/79/32/44/1312793244.db2.gz GBJKFGPLJOYKGG-FQEVSTJZSA-N 1 0 337.467 2.873 20 10 EFCDRO CN(C)c1ccc(CN(C)CC(=O)OCc2ccccc2)c(O)c1 ZINC001232842009 1312794048 /nfs/dbraw/zinc/79/40/48/1312794048.db2.gz WSFRUHVHVZIRPF-UHFFFAOYSA-N 1 0 328.412 2.633 20 10 EFCDRO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(O)c1 ZINC000876546246 1290939295 /nfs/dbraw/zinc/93/92/95/1290939295.db2.gz UJUUIDQRFRTHET-CYBMUJFWSA-N 1 0 334.441 2.541 20 10 EFCDRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(O)c1 ZINC000876546247 1290939808 /nfs/dbraw/zinc/93/98/08/1290939808.db2.gz UJUUIDQRFRTHET-ZDUSSCGKSA-N 1 0 334.441 2.541 20 10 EFCDRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N(C)Cc1ccccc1O ZINC000876606165 1290950525 /nfs/dbraw/zinc/95/05/25/1290950525.db2.gz WIQNSFKINYVOMC-UHFFFAOYSA-N 1 0 345.468 2.896 20 10 EFCDRO Cc1cccc(O)c1C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000876611852 1290953930 /nfs/dbraw/zinc/95/39/30/1290953930.db2.gz TYQVUISMLMQTSY-UHFFFAOYSA-N 1 0 330.350 2.591 20 10 EFCDRO Oc1ccc2c(c1)C[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000876615698 1290956428 /nfs/dbraw/zinc/95/64/28/1290956428.db2.gz AIFJCJPBZUAUHC-UHFFFAOYSA-N 1 0 338.451 2.912 20 10 EFCDRO OC1CCN(c2ccc(CN3CCC[C@@H]3C[NH+]3CCCC3)cc2)CC1 ZINC000876645797 1290965140 /nfs/dbraw/zinc/96/51/40/1290965140.db2.gz RHIUKDHCEQWWJE-HXUWFJFHSA-N 1 0 343.515 2.708 20 10 EFCDRO CC[NH2+][C@H](C)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000876699448 1290984244 /nfs/dbraw/zinc/98/42/44/1290984244.db2.gz ZFZANWXSQLBPCQ-SNVBAGLBSA-N 1 0 329.238 2.501 20 10 EFCDRO Oc1cc(I)ccc1C[NH+]1CC2CC(C2)C1 ZINC001232977371 1312824016 /nfs/dbraw/zinc/82/40/16/1312824016.db2.gz BCBFOCSXACMMRC-UHFFFAOYSA-N 1 0 329.181 2.839 20 10 EFCDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876738634 1290997398 /nfs/dbraw/zinc/99/73/98/1290997398.db2.gz INRIZVKXFDJDTD-SFHVURJKSA-N 1 0 332.488 2.896 20 10 EFCDRO CC[N@H+](C)Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1O ZINC001232980648 1312825025 /nfs/dbraw/zinc/82/50/25/1312825025.db2.gz MEYOCUZECCOUMH-UHFFFAOYSA-N 1 0 349.475 2.901 20 10 EFCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000876781821 1291023801 /nfs/dbraw/zinc/02/38/01/1291023801.db2.gz NVURLCFATBNENM-QZTJIDSGSA-N 1 0 330.472 2.506 20 10 EFCDRO COCCN(CC[NH+](C)C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825915847 1291030403 /nfs/dbraw/zinc/03/04/03/1291030403.db2.gz BSGVULZMUPQQBS-UHFFFAOYSA-N 1 0 338.492 2.708 20 10 EFCDRO COc1cccc(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)c1O ZINC000825916558 1291032312 /nfs/dbraw/zinc/03/23/12/1291032312.db2.gz PYGQHEZYOOVAMX-KRWDZBQOSA-N 1 0 329.396 2.858 20 10 EFCDRO Cc1cccc(O)c1C[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000876886086 1291057864 /nfs/dbraw/zinc/05/78/64/1291057864.db2.gz TXLITCRGJZLVRJ-QGZVFWFLSA-N 1 0 345.512 2.840 20 10 EFCDRO COc1cccc([C@H]([NH3+])C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000876886021 1291058436 /nfs/dbraw/zinc/05/84/36/1291058436.db2.gz SPIPPDYCUOECBO-IBGZPJMESA-N 1 0 340.423 2.596 20 10 EFCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000876890304 1291059727 /nfs/dbraw/zinc/05/97/27/1291059727.db2.gz WPOITAYYMCEPHA-INIZCTEOSA-N 1 0 332.469 2.925 20 10 EFCDRO Cc1nc(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cs1 ZINC000876923231 1291073327 /nfs/dbraw/zinc/07/33/27/1291073327.db2.gz BJYQYDYQEPUACQ-UHFFFAOYSA-N 1 0 331.485 2.745 20 10 EFCDRO Cc1cccc(O)c1C[NH2+]CCCS(=O)(=O)Cc1ccccc1 ZINC000876938507 1291079091 /nfs/dbraw/zinc/07/90/91/1291079091.db2.gz GXRNFRABVFJUDH-UHFFFAOYSA-N 1 0 333.453 2.795 20 10 EFCDRO COc1cc(C[C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC000876963634 1291088135 /nfs/dbraw/zinc/08/81/35/1291088135.db2.gz GMCOWAXWFPOTCP-MRXNPFEDSA-N 1 0 341.455 2.648 20 10 EFCDRO C[C@@H](CN1CCC[C@H](C)C1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876964733 1291088591 /nfs/dbraw/zinc/08/85/91/1291088591.db2.gz OLSKYUVTXKRGTK-ROUUACIJSA-N 1 0 345.531 2.858 20 10 EFCDRO Nc1c(F)cccc1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000876965119 1291088810 /nfs/dbraw/zinc/08/88/10/1291088810.db2.gz BKTKIZWGIYIKLS-UHFFFAOYSA-N 1 0 343.446 2.906 20 10 EFCDRO CO[C@](C)(C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000876965601 1291089214 /nfs/dbraw/zinc/08/92/14/1291089214.db2.gz IUTBASBXXFKKBD-LJQANCHMSA-N 1 0 336.451 2.692 20 10 EFCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)CC(C)C ZINC000876966660 1291089820 /nfs/dbraw/zinc/08/98/20/1291089820.db2.gz YLPOFOKQRQWMBW-QGZVFWFLSA-N 1 0 338.467 2.938 20 10 EFCDRO COc1cc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)sn1 ZINC000876998630 1291101702 /nfs/dbraw/zinc/10/17/02/1291101702.db2.gz LIAYBUBOLOJGAG-UHFFFAOYSA-N 1 0 333.457 2.919 20 10 EFCDRO COc1ccc(N2CCC([NH2+]C[C@H](OC)C3CCOCC3)CC2)cc1 ZINC000876999731 1291102891 /nfs/dbraw/zinc/10/28/91/1291102891.db2.gz WUPDFAWPDILHMQ-FQEVSTJZSA-N 1 0 348.487 2.695 20 10 EFCDRO CCc1cc(N2CCC[C@H]([NH2+]Cc3ccc(C)cc3O)C2)ncn1 ZINC000877010119 1291106328 /nfs/dbraw/zinc/10/63/28/1291106328.db2.gz LWHDJIHMPRCDGO-KRWDZBQOSA-N 1 0 326.444 2.812 20 10 EFCDRO Cc1cccc(O)c1C[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000877037197 1291112337 /nfs/dbraw/zinc/11/23/37/1291112337.db2.gz WSAJTWQMVOEDEW-UHFFFAOYSA-N 1 0 338.407 2.867 20 10 EFCDRO C[C@@](CO)([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877037927 1291113074 /nfs/dbraw/zinc/11/30/74/1291113074.db2.gz ZIEJDLQJJXPPMH-NRFANRHFSA-N 1 0 340.467 2.645 20 10 EFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccsc1 ZINC000877049221 1291116862 /nfs/dbraw/zinc/11/68/62/1291116862.db2.gz RPDNXHWWIMLMBE-SFHVURJKSA-N 1 0 332.469 2.532 20 10 EFCDRO OCC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877053535 1291118388 /nfs/dbraw/zinc/11/83/88/1291118388.db2.gz QSFWAYFUMPOIOH-OAQYLSRUSA-N 1 0 340.467 2.861 20 10 EFCDRO C[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccncc1 ZINC000877076346 1291126696 /nfs/dbraw/zinc/12/66/96/1291126696.db2.gz VVWHKJNODQASAR-MRXNPFEDSA-N 1 0 325.456 2.936 20 10 EFCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCC[C@H]1O ZINC000877082285 1291129054 /nfs/dbraw/zinc/12/90/54/1291129054.db2.gz ZIVDUMIBZKNRQI-WOJBJXKFSA-N 1 0 332.488 2.679 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C)cc2=O ZINC000248556783 1291130561 /nfs/dbraw/zinc/13/05/61/1291130561.db2.gz LEJQUZCTBVHTAY-LALPHHSUSA-N 1 0 346.431 2.526 20 10 EFCDRO Cc1cccc(O)c1C[NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000877132637 1291140231 /nfs/dbraw/zinc/14/02/31/1291140231.db2.gz JKOQWVLVZZKFQA-LBPRGKRZSA-N 1 0 332.350 2.874 20 10 EFCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)CC(C)C ZINC000877145466 1291146196 /nfs/dbraw/zinc/14/61/96/1291146196.db2.gz ICPYOQSXZVZCLS-PKOBYXMFSA-N 1 0 347.503 2.539 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@H]3C[C@H]([NH3+])C3)c2C)cc1 ZINC000877244505 1291176431 /nfs/dbraw/zinc/17/64/31/1291176431.db2.gz XGVUOAIBUIIUOP-SHTZXODSSA-N 1 0 327.428 2.570 20 10 EFCDRO C[N@H+](Cc1cc(Cl)ccc1O)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646795 1291184046 /nfs/dbraw/zinc/18/40/46/1291184046.db2.gz JAEJSAGNBCQAFD-ZFWWWQNUSA-N 1 0 331.865 2.833 20 10 EFCDRO OC1CCN(c2ccc(C[NH+]3CCC([C@H]4CCOC4)CC3)cc2)CC1 ZINC000877306478 1291189392 /nfs/dbraw/zinc/18/93/92/1291189392.db2.gz SAVGXKKCRZSDBV-IBGZPJMESA-N 1 0 344.499 2.896 20 10 EFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1F ZINC000093664410 1291189586 /nfs/dbraw/zinc/18/95/86/1291189586.db2.gz MODPTSFZPUFCNF-SFHVURJKSA-N 1 0 349.494 2.826 20 10 EFCDRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000093693298 1291196079 /nfs/dbraw/zinc/19/60/79/1291196079.db2.gz YUMNQTYFDCHGSK-SFHVURJKSA-N 1 0 349.494 2.826 20 10 EFCDRO CO[C@H](CN(C)c1ccc(OCC[NH+](C)C)cc1)C1CCOCC1 ZINC000877343104 1291200019 /nfs/dbraw/zinc/20/00/19/1291200019.db2.gz VCWYIWBCMUUYDI-LJQANCHMSA-N 1 0 336.476 2.505 20 10 EFCDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000795693150 1291206273 /nfs/dbraw/zinc/20/62/73/1291206273.db2.gz RXICSMMBYHLCPL-PBHICJAKSA-N 1 0 348.487 2.690 20 10 EFCDRO CCOC(CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)OCC ZINC000877467776 1291240992 /nfs/dbraw/zinc/24/09/92/1291240992.db2.gz OKBUSHWBYHILPV-UHFFFAOYSA-N 1 0 336.476 2.527 20 10 EFCDRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2c(C)cccc2O)s1 ZINC000877522339 1291259097 /nfs/dbraw/zinc/25/90/97/1291259097.db2.gz CYAMXXVENUOFGR-NWDGAFQWSA-N 1 0 348.472 2.867 20 10 EFCDRO OC[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCCC1 ZINC000877551826 1291272633 /nfs/dbraw/zinc/27/26/33/1291272633.db2.gz DPDLPXKGGGLNBJ-IBGZPJMESA-N 1 0 346.515 2.926 20 10 EFCDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3ccc(C)cc3O)CC2)c1 ZINC000877559937 1291276105 /nfs/dbraw/zinc/27/61/05/1291276105.db2.gz AONRIUJSAXZXKO-UHFFFAOYSA-N 1 0 343.427 2.911 20 10 EFCDRO Cc1ncsc1CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877565420 1291276765 /nfs/dbraw/zinc/27/67/65/1291276765.db2.gz YTAIIMZFAPUGCB-UHFFFAOYSA-N 1 0 331.485 2.745 20 10 EFCDRO CC1(C)C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]2COC[C@@H]21 ZINC000877576458 1291279395 /nfs/dbraw/zinc/27/93/95/1291279395.db2.gz LEWMGBZQEPROSG-RBUKOAKNSA-N 1 0 330.472 2.505 20 10 EFCDRO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)c(O)c1 ZINC000877660153 1291317003 /nfs/dbraw/zinc/31/70/03/1291317003.db2.gz GEDRYZOCLCWADZ-UHFFFAOYSA-N 1 0 342.395 2.542 20 10 EFCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1O ZINC000877693866 1291333123 /nfs/dbraw/zinc/33/31/23/1291333123.db2.gz SVPMRYHUYSETSG-CPCISQLKSA-N 1 0 342.155 2.864 20 10 EFCDRO COCC[C@@H](C[NH2+][C@H](C)c1ccccc1O)NC(=O)OC(C)(C)C ZINC000877755489 1291362191 /nfs/dbraw/zinc/36/21/91/1291362191.db2.gz CNJXWEKTTSTJNH-KGLIPLIRSA-N 1 0 338.448 2.973 20 10 EFCDRO CONC(=O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000877786728 1291380063 /nfs/dbraw/zinc/38/00/63/1291380063.db2.gz VOWMELOWHNKCSN-UHFFFAOYSA-N 1 0 340.423 2.949 20 10 EFCDRO COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2cc(F)ccc2O)c1 ZINC000877831917 1291400614 /nfs/dbraw/zinc/40/06/14/1291400614.db2.gz BYTONHFDNBRWIY-VOJFVSQTSA-N 1 0 335.375 2.760 20 10 EFCDRO Cc1cc(Br)cc(CN2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c1O ZINC001233111177 1312856921 /nfs/dbraw/zinc/85/69/21/1312856921.db2.gz KAECIKZNLYEINJ-DOMZBBRYSA-N 1 0 339.277 2.989 20 10 EFCDRO COc1cc(O)c(CN2CCC([NH+](C)C)CC2)cc1Br ZINC001233135745 1312863093 /nfs/dbraw/zinc/86/30/93/1312863093.db2.gz ZJKUKMSXYAAOIB-UHFFFAOYSA-N 1 0 343.265 2.689 20 10 EFCDRO COc1cc(O)c(C[NH+]2CC3(C2)CCOCC3)cc1Br ZINC001233138904 1312864115 /nfs/dbraw/zinc/86/41/15/1312864115.db2.gz DWQUBXACHPPXDJ-UHFFFAOYSA-N 1 0 342.233 2.776 20 10 EFCDRO COc1cc(Br)cc(CN2CC[NH+](C(C)C)CC2)c1O ZINC000127007021 1291595153 /nfs/dbraw/zinc/59/51/53/1291595153.db2.gz PBLUUVCBNIRNOY-UHFFFAOYSA-N 1 0 343.265 2.689 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@@H]1CCCC[C@H]1C)cc2=O ZINC000249721258 1291672230 /nfs/dbraw/zinc/67/22/30/1291672230.db2.gz MJGLDTHDFROBQM-IUODEOHRSA-N 1 0 346.431 2.622 20 10 EFCDRO Cc1cc(O)c(C[NH2+][C@H](c2nccn2C)C(C)(C)CO)cc1Cl ZINC000826047735 1291703974 /nfs/dbraw/zinc/70/39/74/1291703974.db2.gz AMCXIWZWKRPZAI-OAHLLOKOSA-N 1 0 337.851 2.937 20 10 EFCDRO CCN(C)c1ccc(C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1 ZINC000878870351 1291835990 /nfs/dbraw/zinc/83/59/90/1291835990.db2.gz ZFHJWHZVJCZTBO-RTBURBONSA-N 1 0 332.488 2.943 20 10 EFCDRO CCN(C)c1ccc(C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1 ZINC000878870348 1291836003 /nfs/dbraw/zinc/83/60/03/1291836003.db2.gz ZFHJWHZVJCZTBO-MOPGFXCFSA-N 1 0 332.488 2.943 20 10 EFCDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000826083684 1291869008 /nfs/dbraw/zinc/86/90/08/1291869008.db2.gz LEELQCOVUDBGPK-OLZOCXBDSA-N 1 0 342.233 2.976 20 10 EFCDRO CCOC(=O)c1c(CN(C)C2CC[NH+](C)CC2)c2ccccc2n1C ZINC001233270661 1312889929 /nfs/dbraw/zinc/88/99/29/1312889929.db2.gz VPZHFMMHGLSUEY-UHFFFAOYSA-N 1 0 343.471 2.881 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCCO[C@H](C)C2)c2ccccc2n1C ZINC001233270315 1312890332 /nfs/dbraw/zinc/89/03/32/1312890332.db2.gz JAUHFRYHUGYZOQ-CQSZACIVSA-N 1 0 330.428 2.966 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@@H](OC)C2)c2ccccc2n1C ZINC001233270713 1312890549 /nfs/dbraw/zinc/89/05/49/1312890549.db2.gz XQAQNIDINDXYET-CQSZACIVSA-N 1 0 330.428 2.966 20 10 EFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@H](CCO)C2)c2ccccc2n1C ZINC001233272503 1312890828 /nfs/dbraw/zinc/89/08/28/1312890828.db2.gz NNRPBAGMJQNQSA-OAHLLOKOSA-N 1 0 344.455 2.949 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@@H](C)OC[C@H]2C)c2ccccc2n1C ZINC001233272922 1312890977 /nfs/dbraw/zinc/89/09/77/1312890977.db2.gz HELRCXUQNFDCFB-ZIAGYGMSSA-N 1 0 330.428 2.964 20 10 EFCDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@H]21 ZINC001233285414 1312895030 /nfs/dbraw/zinc/89/50/30/1312895030.db2.gz FLAGSDPUNDZAPH-VQFNDLOPSA-N 1 0 330.472 2.892 20 10 EFCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCC(N3CCOCC3)CC2)c1 ZINC001233283696 1312895058 /nfs/dbraw/zinc/89/50/58/1312895058.db2.gz RUIGWIDGTLEDPP-UHFFFAOYSA-N 1 0 332.488 2.986 20 10 EFCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC001233286393 1312895498 /nfs/dbraw/zinc/89/54/98/1312895498.db2.gz RWXZAVZGFOUGMY-SFHVURJKSA-N 1 0 332.488 2.986 20 10 EFCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2Cc3ccnn3CC[C@H]2CO)c1 ZINC001233286969 1312895655 /nfs/dbraw/zinc/89/56/55/1312895655.db2.gz QRICLPFAMVDWNE-KRWDZBQOSA-N 1 0 329.444 2.653 20 10 EFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](Oc3ncncc3C)C2)c1O ZINC001233290952 1312895948 /nfs/dbraw/zinc/89/59/48/1312895948.db2.gz FBUILFURIKJJCL-AWEZNQCLSA-N 1 0 349.818 2.806 20 10 EFCDRO COc1cc(Cl)cc(C[NH+]2CCC(N3CC(F)C3)CC2)c1O ZINC001233290378 1312896115 /nfs/dbraw/zinc/89/61/15/1312896115.db2.gz ZOLWIUZMUWRSNA-UHFFFAOYSA-N 1 0 328.815 2.672 20 10 EFCDRO COc1cc(Cl)cc(C[N@H+](C(C)C)[C@H]2CCN(C(C)=O)C2)c1O ZINC001233290446 1312896352 /nfs/dbraw/zinc/89/63/52/1312896352.db2.gz CUCDQWWQULBGKT-HNNXBMFYSA-N 1 0 340.851 2.885 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(=O)n3cc(C)ccc3n2)c1 ZINC000775373869 1292104969 /nfs/dbraw/zinc/10/49/69/1292104969.db2.gz YWLCNKNNBFMZHH-CYBMUJFWSA-N 1 0 339.395 2.568 20 10 EFCDRO COC(=O)Cc1ccccc1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000775373751 1292106972 /nfs/dbraw/zinc/10/69/72/1292106972.db2.gz VYLUSZZSIPIMJN-ZDUSSCGKSA-N 1 0 329.396 2.967 20 10 EFCDRO COc1ccc(N2CC[NH+](C3CC(OC(C)C)C3)CC2)c(OC)c1 ZINC000879463471 1292145734 /nfs/dbraw/zinc/14/57/34/1292145734.db2.gz XRUYIVAAEWLAHV-UHFFFAOYSA-N 1 0 334.460 2.782 20 10 EFCDRO COCc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879648397 1292217746 /nfs/dbraw/zinc/21/77/46/1292217746.db2.gz MUVDFHVRMXSKJS-CQSZACIVSA-N 1 0 328.412 2.506 20 10 EFCDRO C[C@@H]([NH2+]CCC(=O)N1CCOc2ccccc21)c1ccccc1O ZINC000879649450 1292217970 /nfs/dbraw/zinc/21/79/70/1292217970.db2.gz UENZMLHKDSOAJU-CQSZACIVSA-N 1 0 326.396 2.859 20 10 EFCDRO C[C@@H]([NH2+]CC(=O)N(C)CCCOc1ccccc1)c1ccccc1O ZINC000879648294 1292217991 /nfs/dbraw/zinc/21/79/91/1292217991.db2.gz IUFBAPVOLTUKBZ-MRXNPFEDSA-N 1 0 342.439 2.970 20 10 EFCDRO C[C@@H]([NH2+]CCCOc1ccc(S(C)(=O)=O)cc1)c1ccccc1O ZINC000879648731 1292218007 /nfs/dbraw/zinc/21/80/07/1292218007.db2.gz BDFRKUIMEUAXFS-CQSZACIVSA-N 1 0 349.452 2.915 20 10 EFCDRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@H](C)c1ccccc1O ZINC000879649017 1292218707 /nfs/dbraw/zinc/21/87/07/1292218707.db2.gz HOHRYRLCQZMHCD-LLVKDONJSA-N 1 0 329.425 2.663 20 10 EFCDRO Oc1cc(C(F)(F)F)ccc1CN1CC[NH+](C2CCOCC2)CC1 ZINC001233454348 1312934887 /nfs/dbraw/zinc/93/48/87/1312934887.db2.gz RARGYZJJYZXPSC-UHFFFAOYSA-N 1 0 344.377 2.708 20 10 EFCDRO CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C(F)(F)F)cc1O ZINC001233453140 1312935057 /nfs/dbraw/zinc/93/50/57/1312935057.db2.gz WTJUNILDBDZGFB-MRXNPFEDSA-N 1 0 342.361 2.998 20 10 EFCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC001233452381 1312935376 /nfs/dbraw/zinc/93/53/76/1312935376.db2.gz UMVRDHDKNRZQNM-LLVKDONJSA-N 1 0 329.240 2.910 20 10 EFCDRO Oc1cc(C(F)(F)F)ccc1C[NH+]1CCC2(C[C@@H](O)CO2)CC1 ZINC001233452208 1312935415 /nfs/dbraw/zinc/93/54/15/1312935415.db2.gz NUMDFOWKTWDJOD-CYBMUJFWSA-N 1 0 331.334 2.527 20 10 EFCDRO CCCCCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000128555835 1292587166 /nfs/dbraw/zinc/58/71/66/1292587166.db2.gz ACHGKAMROZWQNY-QGZVFWFLSA-N 1 0 347.503 2.650 20 10 EFCDRO Cc1ccc(N2CC[NH+](Cc3cc(O)c(O)cc3O)CC2)cc1C ZINC001233482362 1312939661 /nfs/dbraw/zinc/93/96/61/1312939661.db2.gz LCSKZOOLUVSRIA-UHFFFAOYSA-N 1 0 328.412 2.742 20 10 EFCDRO Oc1cc(O)c(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1O ZINC001233483550 1312939999 /nfs/dbraw/zinc/93/99/99/1312939999.db2.gz DALBDMXTJMLQQW-UHFFFAOYSA-N 1 0 334.803 2.779 20 10 EFCDRO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1cc(O)c(O)cc1O)C2 ZINC001233486397 1312940178 /nfs/dbraw/zinc/94/01/78/1312940178.db2.gz LTDNUBVUDRZBBR-GFCCVEGCSA-N 1 0 345.395 2.592 20 10 EFCDRO O=C1CC2(CC[NH+](Cc3cc(O)c(O)cc3O)CC2)c2ccccc21 ZINC001233486989 1312940242 /nfs/dbraw/zinc/94/02/42/1312940242.db2.gz KNQKULIDMWFAOQ-UHFFFAOYSA-N 1 0 339.391 2.924 20 10 EFCDRO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3cc(O)c(O)cc3O)C2)c1 ZINC001233486827 1312940385 /nfs/dbraw/zinc/94/03/85/1312940385.db2.gz DTHIJEUOCZOSMY-AWEZNQCLSA-N 1 0 330.384 2.550 20 10 EFCDRO CC(=O)C1(c2ccccc2)CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233485555 1312940860 /nfs/dbraw/zinc/94/08/60/1312940860.db2.gz AUVBEEXNLYPFGC-UHFFFAOYSA-N 1 0 341.407 2.926 20 10 EFCDRO CC[C@@H]([NH2+]CCCN(C)S(=O)(=O)CC)c1cc(Cl)ccc1O ZINC000775488623 1292693476 /nfs/dbraw/zinc/69/34/76/1292693476.db2.gz PKTWGDFFDCSPQP-CQSZACIVSA-N 1 0 348.896 2.758 20 10 EFCDRO CC[C@H]([NH2+]CCCN(C)S(=O)(=O)CC)c1cc(Cl)ccc1O ZINC000775488616 1292693709 /nfs/dbraw/zinc/69/37/09/1292693709.db2.gz PKTWGDFFDCSPQP-AWEZNQCLSA-N 1 0 348.896 2.758 20 10 EFCDRO C[NH2+][C@@H](C)c1cn(CC(=O)c2cc(C)n(-c3ccccc3)c2C)nn1 ZINC000880982174 1292709671 /nfs/dbraw/zinc/70/96/71/1292709671.db2.gz LDEXJRKXEZBTNO-AWEZNQCLSA-N 1 0 337.427 2.849 20 10 EFCDRO C[NH2+][C@H](C)c1cn(CC(=O)c2cc(C)n(-c3ccccc3)c2C)nn1 ZINC000880982175 1292709879 /nfs/dbraw/zinc/70/98/79/1292709879.db2.gz LDEXJRKXEZBTNO-CQSZACIVSA-N 1 0 337.427 2.849 20 10 EFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2O)N1Cc1cccnc1 ZINC001203552768 1312954186 /nfs/dbraw/zinc/95/41/86/1312954186.db2.gz SMDCKQLJKMCMNN-QZTJIDSGSA-N 1 0 337.423 2.553 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001203552172 1312954387 /nfs/dbraw/zinc/95/43/87/1312954387.db2.gz CVDUPMDDSOTNPA-AZUAARDMSA-N 1 0 340.423 2.990 20 10 EFCDRO Oc1ccccc1C[N@H+]1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001203551351 1312954757 /nfs/dbraw/zinc/95/47/57/1312954757.db2.gz DQHLYICIBHGULL-INIZCTEOSA-N 1 0 327.428 2.647 20 10 EFCDRO COC[C@](C)(O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796303090 1292820577 /nfs/dbraw/zinc/82/05/77/1292820577.db2.gz FZBOXDNGXJECRD-OAQYLSRUSA-N 1 0 340.467 2.736 20 10 EFCDRO Oc1ccccc1CN1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001203556729 1312955590 /nfs/dbraw/zinc/95/55/90/1312955590.db2.gz VJIDPKFYSRZIMS-AZUAARDMSA-N 1 0 330.472 2.715 20 10 EFCDRO O=C(c1ccco1)N1C[C@H]2CCC[N@@H+](Cc3ccccc3O)[C@H]2C1 ZINC001203556420 1312955764 /nfs/dbraw/zinc/95/57/64/1312955764.db2.gz PLFCNZIZPBCQOX-ZBFHGGJFSA-N 1 0 326.396 2.722 20 10 EFCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001203561530 1312956386 /nfs/dbraw/zinc/95/63/86/1312956386.db2.gz VUWVPHISXCWEQP-LJQANCHMSA-N 1 0 326.440 2.725 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001203562947 1312957127 /nfs/dbraw/zinc/95/71/27/1312957127.db2.gz QHXNVJIORGLWOS-GFCCVEGCSA-N 1 0 339.317 2.854 20 10 EFCDRO CCC[C@H]([NH3+])c1cn(Cc2ccc(N3CCC(OC)CC3)cc2)nn1 ZINC000881379840 1292865414 /nfs/dbraw/zinc/86/54/14/1292865414.db2.gz AGSATTWGKVOMHK-SFHVURJKSA-N 1 0 343.475 2.742 20 10 EFCDRO COc1cccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c1O ZINC001203590281 1312965304 /nfs/dbraw/zinc/96/53/04/1312965304.db2.gz VSVKKGQKZOXBNN-CABCVRRESA-N 1 0 348.443 2.842 20 10 EFCDRO COc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)c1 ZINC000187240737 1292973425 /nfs/dbraw/zinc/97/34/25/1292973425.db2.gz BMEKIXDHCQCNOG-UHFFFAOYSA-N 1 0 326.396 2.600 20 10 EFCDRO COc1cccc(C[N@@H+]2CCC[C@H](Oc3ncncc3C)C2)c1O ZINC001203601702 1312967379 /nfs/dbraw/zinc/96/73/79/1312967379.db2.gz HQKOFFLWWWKFDF-HNNXBMFYSA-N 1 0 329.400 2.543 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2cccc(OCC)c2O)Cc2c1cnn2C ZINC001203603627 1312968084 /nfs/dbraw/zinc/96/80/84/1312968084.db2.gz UPTKTAFLQITNGJ-HNNXBMFYSA-N 1 0 345.443 2.660 20 10 EFCDRO COc1cccc(C[N@H+]2CCC[C@@H](Oc3ncccc3OC)C2)c1O ZINC001203601881 1312968216 /nfs/dbraw/zinc/96/82/16/1312968216.db2.gz PKWKCPLZBAYMHQ-OAHLLOKOSA-N 1 0 344.411 2.848 20 10 EFCDRO CCOC(=O)C1(F)CC[NH+](Cc2cccc(OCC)c2O)CC1 ZINC001203610025 1312970201 /nfs/dbraw/zinc/97/02/01/1312970201.db2.gz RYRBZWHVDJFRQO-UHFFFAOYSA-N 1 0 325.380 2.658 20 10 EFCDRO CCOc1cccc(C[NH+]2CCN(c3cccc(OC)n3)CC2)c1O ZINC001203613727 1312970822 /nfs/dbraw/zinc/97/08/22/1312970822.db2.gz GYKFTGFEAICXGP-UHFFFAOYSA-N 1 0 343.427 2.517 20 10 EFCDRO C[C@@H]1CC[C@H](CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881850724 1293027916 /nfs/dbraw/zinc/02/79/16/1293027916.db2.gz DNIRMPLSPAISAT-AEFFLSMTSA-N 1 0 329.488 2.881 20 10 EFCDRO C[C@H]1CC[C@@H](CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881850725 1293027938 /nfs/dbraw/zinc/02/79/38/1293027938.db2.gz DNIRMPLSPAISAT-FUHWJXTLSA-N 1 0 329.488 2.881 20 10 EFCDRO CCCCSCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850551 1293028155 /nfs/dbraw/zinc/02/81/55/1293028155.db2.gz YCLRVWHYYDXCIA-UHFFFAOYSA-N 1 0 335.517 2.588 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)CC3CCSCC3)cc2)CC1 ZINC000881851569 1293028175 /nfs/dbraw/zinc/02/81/75/1293028175.db2.gz XBSWRIKYBZLKOB-UHFFFAOYSA-N 1 0 347.528 2.588 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H](F)c3ccccc3)cc2)CC1 ZINC000881852662 1293028878 /nfs/dbraw/zinc/02/88/78/1293028878.db2.gz YJARPCYMKBDXHC-LJQANCHMSA-N 1 0 341.430 2.765 20 10 EFCDRO C[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cccs1 ZINC000881850721 1293029041 /nfs/dbraw/zinc/02/90/41/1293029041.db2.gz DLNVWGMLFSCCQM-HNNXBMFYSA-N 1 0 343.496 2.920 20 10 EFCDRO CCc1ccccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851693 1293029175 /nfs/dbraw/zinc/02/91/75/1293029175.db2.gz YWPAPOXILOOLCV-UHFFFAOYSA-N 1 0 337.467 2.931 20 10 EFCDRO CC(C)n1cccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851795 1293029422 /nfs/dbraw/zinc/02/94/22/1293029422.db2.gz AQIIOFPBJYUIPB-UHFFFAOYSA-N 1 0 340.471 2.751 20 10 EFCDRO C[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccsc1 ZINC000881850998 1293029448 /nfs/dbraw/zinc/02/94/48/1293029448.db2.gz MZAQZPXTXWYXBY-HNNXBMFYSA-N 1 0 343.496 2.920 20 10 EFCDRO CCc1ccsc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851198 1293029726 /nfs/dbraw/zinc/02/97/26/1293029726.db2.gz FWSFZFFRBQRWPU-UHFFFAOYSA-N 1 0 343.496 2.992 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCC3(C)C)cc2)CC1 ZINC000881854171 1293030758 /nfs/dbraw/zinc/03/07/58/1293030758.db2.gz VWZZCTXOTIWDAY-SFHVURJKSA-N 1 0 329.488 2.881 20 10 EFCDRO CC(C)c1[nH]ccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853636 1293030841 /nfs/dbraw/zinc/03/08/41/1293030841.db2.gz DGALNBJAQKDJTK-UHFFFAOYSA-N 1 0 340.471 2.820 20 10 EFCDRO CCC1=C(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCCO1 ZINC000881853712 1293031354 /nfs/dbraw/zinc/03/13/54/1293031354.db2.gz HRQCGUCXXDPFDH-UHFFFAOYSA-N 1 0 343.471 2.529 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3CCC=CCC3)cc2)CC1 ZINC000881855337 1293032646 /nfs/dbraw/zinc/03/26/46/1293032646.db2.gz UAFMYWZTZPNDCF-UHFFFAOYSA-N 1 0 327.472 2.801 20 10 EFCDRO CCOc1cccc(C[NH+]2CCN(c3ncccc3OC)CC2)c1O ZINC001203613912 1312971504 /nfs/dbraw/zinc/97/15/04/1312971504.db2.gz JPANARIWRIBTIN-UHFFFAOYSA-N 1 0 343.427 2.517 20 10 EFCDRO CCOc1cccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001203615718 1312971926 /nfs/dbraw/zinc/97/19/26/1312971926.db2.gz YUEYXNVTUFSWKL-LSDHHAIUSA-N 1 0 348.443 2.842 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC(NC(=O)N(CC)CC)CC2)c1O ZINC001203616914 1312972198 /nfs/dbraw/zinc/97/21/98/1312972198.db2.gz AEKZMHDCBSSTCP-UHFFFAOYSA-N 1 0 349.475 2.807 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(OC)cn3)C2)c1O ZINC001203617393 1312972429 /nfs/dbraw/zinc/97/24/29/1312972429.db2.gz PPMJYQJVTYHRMA-MRXNPFEDSA-N 1 0 344.411 2.848 20 10 EFCDRO CCOc1cccc(C[NH+]2CCC(Oc3ccncn3)CC2)c1O ZINC001203616980 1312972634 /nfs/dbraw/zinc/97/26/34/1312972634.db2.gz DGZSFFQHQOUYNS-UHFFFAOYSA-N 1 0 329.400 2.624 20 10 EFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](Oc3ncccn3)C2)c1O ZINC001203617163 1312972672 /nfs/dbraw/zinc/97/26/72/1312972672.db2.gz KSDGNPVNCBPVGN-HNNXBMFYSA-N 1 0 329.400 2.624 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)c(O)c1 ZINC001203622199 1312972987 /nfs/dbraw/zinc/97/29/87/1312972987.db2.gz TXTATPOMGYEJHY-FQEVSTJZSA-N 1 0 348.487 2.724 20 10 EFCDRO COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1 ZINC001203621655 1312973158 /nfs/dbraw/zinc/97/31/58/1312973158.db2.gz FWKGFBSCOLWQPA-XJKSGUPXSA-N 1 0 348.443 2.842 20 10 EFCDRO COC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(OC)cc1O)CC2 ZINC001203620379 1312973384 /nfs/dbraw/zinc/97/33/84/1312973384.db2.gz CBASKYRBCKMEQL-UHFFFAOYSA-N 1 0 348.443 2.845 20 10 EFCDRO COc1ccc(C[NH+]2CCC3(CC2)C(=O)Nc2ccccc23)c(O)c1 ZINC001203621362 1312973491 /nfs/dbraw/zinc/97/34/91/1312973491.db2.gz BMVBTVNVMPEPEZ-UHFFFAOYSA-N 1 0 338.407 2.887 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2ccc(OC)cc2O)Cc2cn(CC)nc21 ZINC001203623380 1312973989 /nfs/dbraw/zinc/97/39/89/1312973989.db2.gz OSUUAQPWDVAINY-MRXNPFEDSA-N 1 0 345.443 2.753 20 10 EFCDRO COc1ccc(C[NH+]2CCC(Oc3cc(Cl)ncn3)CC2)c(O)c1 ZINC001203628005 1312975634 /nfs/dbraw/zinc/97/56/34/1312975634.db2.gz VIXHSMIUXSSDSI-UHFFFAOYSA-N 1 0 349.818 2.888 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)cc2O)C[C@@H]1c1ccccc1 ZINC001203635319 1312977235 /nfs/dbraw/zinc/97/72/35/1312977235.db2.gz PNRGSYKGHQDATC-QZTJIDSGSA-N 1 0 341.407 2.789 20 10 EFCDRO COc1ccc(C[NH+]2CCC(Oc3ccc(F)cn3)CC2)c(O)c1 ZINC001203634929 1312977292 /nfs/dbraw/zinc/97/72/92/1312977292.db2.gz BPODLSSHOJUGIO-UHFFFAOYSA-N 1 0 332.375 2.978 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@@H](Oc3cc(C)ncn3)C2)c(O)c1 ZINC001203634998 1312977651 /nfs/dbraw/zinc/97/76/51/1312977651.db2.gz FOTGBSBSIJIJNH-MRXNPFEDSA-N 1 0 329.400 2.543 20 10 EFCDRO Oc1ccc(Br)cc1C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001203645580 1312979862 /nfs/dbraw/zinc/97/98/62/1312979862.db2.gz MSFGNCYIWCGBID-UHFFFAOYSA-N 1 0 343.240 2.773 20 10 EFCDRO COC(=O)C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC001203649946 1312980706 /nfs/dbraw/zinc/98/07/06/1312980706.db2.gz KBDSIYWYKJTVTR-LLVKDONJSA-N 1 0 342.233 2.930 20 10 EFCDRO CC[NH+]1C[C@H]2CN(Cc3cc(Br)ccc3O)C[C@@H]2C1 ZINC001203648733 1312980777 /nfs/dbraw/zinc/98/07/77/1312980777.db2.gz RLSRBXSSDUAVGQ-STQMWFEESA-N 1 0 325.250 2.538 20 10 EFCDRO COC(=O)CC[N@H+](Cc1cc(Br)ccc1O)C1CC1 ZINC001203650388 1312980791 /nfs/dbraw/zinc/98/07/91/1312980791.db2.gz RAOZZXDFWHKXTM-UHFFFAOYSA-N 1 0 328.206 2.682 20 10 EFCDRO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203657506 1312982343 /nfs/dbraw/zinc/98/23/43/1312982343.db2.gz LPORYXKNTPKBTA-WFASDCNBSA-N 1 0 346.814 2.985 20 10 EFCDRO O=C(NC1CC1)[C@H]1C[C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)C[C@H]2C1 ZINC001203659422 1312983007 /nfs/dbraw/zinc/98/30/07/1312983007.db2.gz VJNQWKAYXNYHBY-XYYAHUGASA-N 1 0 334.847 2.782 20 10 EFCDRO Oc1c(CN2CC[N@@H+]3CCCC[C@H]3C2)cccc1OC(F)(F)F ZINC001233754307 1312984623 /nfs/dbraw/zinc/98/46/23/1312984623.db2.gz CXXSEXCBDPRWAP-ZDUSSCGKSA-N 1 0 330.350 2.961 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001203669446 1312985040 /nfs/dbraw/zinc/98/50/40/1312985040.db2.gz CFYPJUBGQYROAC-UHFFFAOYSA-N 1 0 348.443 2.844 20 10 EFCDRO C[N@@H+]1C[C@@H]2CCCN(Cc3cccc(OC(F)(F)F)c3O)[C@@H]2C1 ZINC001233760084 1312985057 /nfs/dbraw/zinc/98/50/57/1312985057.db2.gz BMLGLJLCETVMJT-WCQYABFASA-N 1 0 330.350 2.817 20 10 EFCDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(O)c(O)c1Cl ZINC001193247233 1293213338 /nfs/dbraw/zinc/21/33/38/1293213338.db2.gz QBWOAMWBCGELLE-LLVKDONJSA-N 1 0 338.835 2.888 20 10 EFCDRO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(O)c(O)c2Cl)[C@H](C)C1 ZINC001193255309 1293215915 /nfs/dbraw/zinc/21/59/15/1293215915.db2.gz UIESCQMHGSSWEZ-PWSUYJOCSA-N 1 0 326.824 2.600 20 10 EFCDRO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cccc(OC(F)(F)F)c1O ZINC001233760078 1312985633 /nfs/dbraw/zinc/98/56/33/1312985633.db2.gz BMLGLJLCETVMJT-AAEUAGOBSA-N 1 0 330.350 2.817 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)c1 ZINC001203671538 1312985798 /nfs/dbraw/zinc/98/57/98/1312985798.db2.gz QXNGHPJBZQYZCA-GOSISDBHSA-N 1 0 347.455 2.951 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC001203671232 1312985856 /nfs/dbraw/zinc/98/58/56/1312985856.db2.gz LIGGJRJYUNSRLS-CZUORRHYSA-N 1 0 348.443 2.842 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c1 ZINC001203671755 1312985906 /nfs/dbraw/zinc/98/59/06/1312985906.db2.gz WPEFZGIFNFZUPR-AZUAARDMSA-N 1 0 347.455 2.951 20 10 EFCDRO COc1ccc(O)c(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)c1 ZINC001203673342 1312986584 /nfs/dbraw/zinc/98/65/84/1312986584.db2.gz VUXVCIHTXAABMG-UHFFFAOYSA-N 1 0 325.412 2.669 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CCC3(CC(N4CCCC4)=NO3)CC2)c1 ZINC001203674806 1312986959 /nfs/dbraw/zinc/98/69/59/1312986959.db2.gz CDHWJZOUJHCFNN-UHFFFAOYSA-N 1 0 345.443 2.565 20 10 EFCDRO COc1ccc(O)c(C[NH+]2CC(C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC001203681294 1312989258 /nfs/dbraw/zinc/98/92/58/1312989258.db2.gz UETDWUKVUXFODY-UHFFFAOYSA-N 1 0 336.432 2.747 20 10 EFCDRO COC(=O)[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)C[C@@H]1C ZINC001233776620 1312990315 /nfs/dbraw/zinc/99/03/15/1312990315.db2.gz WBVULWWJIGVGQP-ONGXEEELSA-N 1 0 333.306 2.532 20 10 EFCDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@H]3CCC[NH2+]C3)c2C)cc1 ZINC000130053040 1293311652 /nfs/dbraw/zinc/31/16/52/1293311652.db2.gz KVJRIAJVPAXNMT-INIZCTEOSA-N 1 0 341.455 2.832 20 10 EFCDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000130570050 1293402152 /nfs/dbraw/zinc/40/21/52/1293402152.db2.gz RMONKLLORIHQPI-QAPCUYQASA-N 1 0 330.428 2.718 20 10 EFCDRO [O-]c1c(F)cc(F)cc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000883049065 1293442520 /nfs/dbraw/zinc/44/25/20/1293442520.db2.gz CIINWIHBVDUHCI-DLBZAZTESA-N 1 0 340.414 2.528 20 10 EFCDRO C[NH+](C)[C@H]1CCN(c2ccc(NCc3cc(F)cc(F)c3O)nc2)C1 ZINC000883073520 1293450435 /nfs/dbraw/zinc/45/04/35/1293450435.db2.gz SHZQIGYSFLPHIN-HNNXBMFYSA-N 1 0 348.397 2.818 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(N3CCNC3=O)cc2)c1 ZINC000883282153 1293530540 /nfs/dbraw/zinc/53/05/40/1293530540.db2.gz JZCFBFHTLDPJTD-UHFFFAOYSA-N 1 0 341.411 2.610 20 10 EFCDRO CC[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)cc(O)cc1O ZINC001273671190 1293548339 /nfs/dbraw/zinc/54/83/39/1293548339.db2.gz XVVKESCAVALKME-DJJJIMSYSA-N 1 0 348.443 2.559 20 10 EFCDRO CC[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)cc(O)cc1O ZINC001273671192 1293548435 /nfs/dbraw/zinc/54/84/35/1293548435.db2.gz XVVKESCAVALKME-YJYMSZOUSA-N 1 0 348.443 2.559 20 10 EFCDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883417192 1293584022 /nfs/dbraw/zinc/58/40/22/1293584022.db2.gz RCIJTZNLQRQBCU-SFHVURJKSA-N 1 0 330.472 2.874 20 10 EFCDRO CC[C@H](F)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194367828 1293598280 /nfs/dbraw/zinc/59/82/80/1293598280.db2.gz NCPZLAWATZVSQI-DZGCQCFKSA-N 1 0 349.410 2.743 20 10 EFCDRO CC[C@@H](F)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194367930 1293599044 /nfs/dbraw/zinc/59/90/44/1293599044.db2.gz NCPZLAWATZVSQI-UKRRQHHQSA-N 1 0 349.410 2.743 20 10 EFCDRO C[NH+]1CCC(NC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000101771398 1293844281 /nfs/dbraw/zinc/84/42/81/1293844281.db2.gz FYUXNTZRHSIXLN-UHFFFAOYSA-N 1 0 343.427 2.791 20 10 EFCDRO O=C1N[C@H](c2ccccc2)C12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203879383 1313040085 /nfs/dbraw/zinc/04/00/85/1313040085.db2.gz OYWNLGJBFJDJJR-GOSISDBHSA-N 1 0 338.407 2.551 20 10 EFCDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccc(O)c(O)c3)[C@@H]2C1 ZINC001203875803 1313038717 /nfs/dbraw/zinc/03/87/17/1313038717.db2.gz VWLYKFFAGQURCT-UONOGXRCSA-N 1 0 334.416 2.539 20 10 EFCDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001203877107 1313039055 /nfs/dbraw/zinc/03/90/55/1313039055.db2.gz DHAXMVHBMNRNIH-IHRRRGAJSA-N 1 0 334.416 2.585 20 10 EFCDRO Cc1ccc(C[NH+]2C[C@H]3CN(Cc4ccc(O)c(O)c4)C[C@@H]3C2)cc1 ZINC001203878463 1313040193 /nfs/dbraw/zinc/04/01/93/1313040193.db2.gz UTIOASLMUGGZCZ-OALUTQOASA-N 1 0 338.451 2.970 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@H]2C1 ZINC001203882896 1313040538 /nfs/dbraw/zinc/04/05/38/1313040538.db2.gz WMUPDVYDNVWFQH-GJZGRUSLSA-N 1 0 348.443 2.787 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)cc1 ZINC001203932928 1313050787 /nfs/dbraw/zinc/05/07/87/1313050787.db2.gz DKIUOJQPIJNABV-NRFANRHFSA-N 1 0 335.451 2.873 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)cc1 ZINC001203930596 1313049504 /nfs/dbraw/zinc/04/95/04/1313049504.db2.gz AKSZSSUUVFHKLB-KXBFYZLASA-N 1 0 331.460 2.852 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)Cc2cn(C)nc21 ZINC001203931579 1313049797 /nfs/dbraw/zinc/04/97/97/1313049797.db2.gz JNNDMJPKONXXRF-KRWDZBQOSA-N 1 0 328.460 2.622 20 10 EFCDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)c3ccncc3)CC2)cc1 ZINC001203936246 1313051152 /nfs/dbraw/zinc/05/11/52/1313051152.db2.gz FPYAUDIJYVCFDK-UHFFFAOYSA-N 1 0 338.455 2.542 20 10 EFCDRO Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203936826 1313051557 /nfs/dbraw/zinc/05/15/57/1313051557.db2.gz OUYUSVJRGYWVHU-SFHVURJKSA-N 1 0 326.444 2.894 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)cc1 ZINC001203937219 1313051582 /nfs/dbraw/zinc/05/15/82/1313051582.db2.gz OXXGWCUTSZTDDY-IBGZPJMESA-N 1 0 335.451 2.983 20 10 EFCDRO CC(C)N1CCC2(CC[NH+](Cc3ccc(N(C)C)cc3)CC2)C1=O ZINC001203937148 1313051591 /nfs/dbraw/zinc/05/15/91/1313051591.db2.gz NCEFKNMWPYILHH-UHFFFAOYSA-N 1 0 329.488 2.976 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](OCC(=O)NC(C)(C)C)C2)cc1 ZINC001203937739 1313051615 /nfs/dbraw/zinc/05/16/15/1313051615.db2.gz OENDQYYBYPDTKG-GOSISDBHSA-N 1 0 347.503 2.648 20 10 EFCDRO CC(C)N1CC2(CC1=O)CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203936683 1313051727 /nfs/dbraw/zinc/05/17/27/1313051727.db2.gz JFVJPMHIKWSTGH-UHFFFAOYSA-N 1 0 329.488 2.976 20 10 EFCDRO Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203936825 1313051903 /nfs/dbraw/zinc/05/19/03/1313051903.db2.gz OUYUSVJRGYWVHU-GOSISDBHSA-N 1 0 326.444 2.894 20 10 EFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC4(CCOCC4)C3)cc2)CC1 ZINC000775703812 1294172403 /nfs/dbraw/zinc/17/24/03/1294172403.db2.gz ZCAJEWNWKRHBPO-UHFFFAOYSA-N 1 0 343.515 2.831 20 10 EFCDRO C[C@H](F)CC[NH2+]C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001203998959 1313062053 /nfs/dbraw/zinc/06/20/53/1313062053.db2.gz GMMRQPBKOGQZCT-LBPRGKRZSA-N 1 0 349.410 2.791 20 10 EFCDRO CC[NH+](CC)CCCNC(=S)N(C)Cc1ccc(N(C)C)cc1 ZINC001196678675 1294314049 /nfs/dbraw/zinc/31/40/49/1294314049.db2.gz GYKPODHXQYFYSZ-UHFFFAOYSA-N 1 0 336.549 2.791 20 10 EFCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000775769044 1294511280 /nfs/dbraw/zinc/51/12/80/1294511280.db2.gz ZDAIFNVHTSBENT-UHFFFAOYSA-N 1 0 340.423 2.927 20 10 EFCDRO COc1cc(Br)cc(CN2C[C@H](C)CC[C@@H]2C[NH3+])c1O ZINC001205803273 1294514816 /nfs/dbraw/zinc/51/48/16/1294514816.db2.gz FKHFGBICUCFAQJ-ZWNOBZJWSA-N 1 0 343.265 2.723 20 10 EFCDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796376076 1294590992 /nfs/dbraw/zinc/59/09/92/1294590992.db2.gz LYDNKGXOAOAZRK-KKSFZXQISA-N 1 0 349.478 2.864 20 10 EFCDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000886294643 1294826130 /nfs/dbraw/zinc/82/61/30/1294826130.db2.gz CWSDWPDYBPRINQ-DYVFJYSZSA-N 1 0 331.437 2.582 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)c2ccccc21 ZINC001204235106 1313106029 /nfs/dbraw/zinc/10/60/29/1313106029.db2.gz GDPLMWMSIBCFBK-IPHXSNPTSA-N 1 0 340.467 2.878 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c2ccccc21 ZINC001204235046 1313106163 /nfs/dbraw/zinc/10/61/63/1313106163.db2.gz DVUSHRSDEBWEKH-HXUWFJFHSA-N 1 0 326.440 2.897 20 10 EFCDRO COC(=O)CO[C@H]1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204240669 1313106328 /nfs/dbraw/zinc/10/63/28/1313106328.db2.gz CQPKMSRNCYTKAH-INIZCTEOSA-N 1 0 342.439 2.670 20 10 EFCDRO CC(=O)N1CC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@H]1C ZINC001204240367 1313107001 /nfs/dbraw/zinc/10/70/01/1313107001.db2.gz QFXFRZDNUGJUEN-OAHLLOKOSA-N 1 0 325.456 2.958 20 10 EFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccccc3F)cc2)CC1 ZINC000886326016 1294855053 /nfs/dbraw/zinc/85/50/53/1294855053.db2.gz ZLEGAWQYZDOJOU-UHFFFAOYSA-N 1 0 341.430 2.817 20 10 EFCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c(C)o1 ZINC000886325182 1294855825 /nfs/dbraw/zinc/85/58/25/1294855825.db2.gz XZHVVLKNJKOAGB-UHFFFAOYSA-N 1 0 341.455 2.888 20 10 EFCDRO COc1ccc(Br)c(CN2C[C@H](C)CC[C@@H]2C[NH3+])c1O ZINC001205827633 1294910899 /nfs/dbraw/zinc/91/08/99/1294910899.db2.gz HTMNBFNAHGSJMM-GHMZBOCLSA-N 1 0 343.265 2.723 20 10 EFCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000304129516 1294939191 /nfs/dbraw/zinc/93/91/91/1294939191.db2.gz VQQYBDKUCFDKPG-HXUWFJFHSA-N 1 0 344.430 2.660 20 10 EFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)[C@H]1c1ccccc1 ZINC001204276275 1313114029 /nfs/dbraw/zinc/11/40/29/1313114029.db2.gz IXYYTTDARDNYLD-AEFFLSMTSA-N 1 0 327.380 2.834 20 10 EFCDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204277227 1313114807 /nfs/dbraw/zinc/11/48/07/1313114807.db2.gz WVXNMEUFGXPMOE-CYBMUJFWSA-N 1 0 336.432 2.787 20 10 EFCDRO CC(C)(C)OC(=O)N1CC([N@H+](Cc2ccc(O)cc2O)C2CC2)C1 ZINC001204279526 1313114981 /nfs/dbraw/zinc/11/49/81/1313114981.db2.gz AGTNIWKVCJYNAR-UHFFFAOYSA-N 1 0 334.416 2.682 20 10 EFCDRO O=C1Nc2ccccc2C2(CC[NH+](Cc3ccc(O)cc3O)CC2)N1 ZINC001204279242 1313115095 /nfs/dbraw/zinc/11/50/95/1313115095.db2.gz TXEZZKOWXBOUOL-UHFFFAOYSA-N 1 0 339.395 2.724 20 10 EFCDRO Cc1ccc2nc(C[NH2+][C@@H](C)c3ccc(N(C)C)cc3)cc(=O)n2c1 ZINC000775835431 1294965681 /nfs/dbraw/zinc/96/56/81/1294965681.db2.gz YRHPPZWNVZSRQX-HNNXBMFYSA-N 1 0 336.439 2.920 20 10 EFCDRO O=C1CCC[C@@]2(CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)N1 ZINC001204321957 1313122515 /nfs/dbraw/zinc/12/25/15/1313122515.db2.gz HMNJRNBJZYAZFB-FQEVSTJZSA-N 1 0 327.472 2.922 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](C(C)=O)C2)c1O ZINC001204339449 1313124821 /nfs/dbraw/zinc/12/48/21/1313124821.db2.gz JIANFFPIZZJJHN-NSHDSACASA-N 1 0 342.233 2.964 20 10 EFCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)CC[C@@H]21 ZINC001204328986 1313123525 /nfs/dbraw/zinc/12/35/25/1313123525.db2.gz AFGCTQSXJSUNFE-MJGOQNOKSA-N 1 0 327.472 2.730 20 10 EFCDRO CC[NH+](CC)C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001204329356 1313123855 /nfs/dbraw/zinc/12/38/55/1313123855.db2.gz NUHBMQRELJIRKR-FQEVSTJZSA-N 1 0 331.504 2.829 20 10 EFCDRO c1cc(N2CCCC2)ccc1CN1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001204329662 1313123861 /nfs/dbraw/zinc/12/38/61/1313123861.db2.gz UKPNYQKVFLDHFX-FQEVSTJZSA-N 1 0 329.488 2.583 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@](C)(O)[C@H](C)C2)c1O ZINC001204336413 1313125053 /nfs/dbraw/zinc/12/50/53/1313125053.db2.gz NTIBDAQAXYTUTI-MEBBXXQBSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)c1O ZINC001204335857 1313125062 /nfs/dbraw/zinc/12/50/62/1313125062.db2.gz AWOOIAHPLLMLCR-GWCFXTLKSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1cc(Br)cc(C[N@H+](CCCO)C(C)C)c1O ZINC001204338693 1313125160 /nfs/dbraw/zinc/12/51/60/1313125160.db2.gz MVBFAWKUCKNHCX-UHFFFAOYSA-N 1 0 332.238 2.756 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](OCc3ccccc3)C2)cc(O)c1O ZINC001204341868 1313125841 /nfs/dbraw/zinc/12/58/41/1313125841.db2.gz GZFPYRUACPAJDZ-MRXNPFEDSA-N 1 0 329.396 2.898 20 10 EFCDRO COc1cc(C[NH+]2CCC(O)(Cc3ccccc3)CC2)cc(O)c1O ZINC001204340224 1313125886 /nfs/dbraw/zinc/12/58/86/1313125886.db2.gz IKUVYQJRFVXJPX-UHFFFAOYSA-N 1 0 343.423 2.676 20 10 EFCDRO C[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)c1cc(Br)ccc1O ZINC000886669885 1295097948 /nfs/dbraw/zinc/09/79/48/1295097948.db2.gz GHTAEZFWYHVTCK-DRZSPHRISA-N 1 0 344.249 2.735 20 10 EFCDRO COc1cc(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc(O)c1O ZINC001204345232 1313126628 /nfs/dbraw/zinc/12/66/28/1313126628.db2.gz PNARQSJSJNOMQS-OAHLLOKOSA-N 1 0 342.439 2.813 20 10 EFCDRO COc1cc(C[N@H+](C)CCCC(=O)c2cccnc2)cc(O)c1O ZINC001204345770 1313126756 /nfs/dbraw/zinc/12/67/56/1313126756.db2.gz XCPHECQNGYHSIA-UHFFFAOYSA-N 1 0 330.384 2.596 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)cc(O)c1O ZINC001204349042 1313127007 /nfs/dbraw/zinc/12/70/07/1313127007.db2.gz NBJWUXXWABUDKF-ZDUSSCGKSA-N 1 0 337.416 2.803 20 10 EFCDRO COc1cc(CN2CC[N@@H+](C3CCCCC3)[C@@H](C)C2)cc(O)c1O ZINC001204349833 1313127160 /nfs/dbraw/zinc/12/71/60/1313127160.db2.gz BZTDGBFHXPXPHD-AWEZNQCLSA-N 1 0 334.460 2.945 20 10 EFCDRO COc1cc(CN2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(O)c1O ZINC001204346478 1313127180 /nfs/dbraw/zinc/12/71/80/1313127180.db2.gz RASHNYMWRLKALE-HNNXBMFYSA-N 1 0 342.439 2.813 20 10 EFCDRO COc1cc(CN2CCC[C@H](Oc3ncccc3C)C2)cc(O)c1O ZINC001204351196 1313127858 /nfs/dbraw/zinc/12/78/58/1313127858.db2.gz OKUYILXAIGBWFE-HNNXBMFYSA-N 1 0 344.411 2.853 20 10 EFCDRO COCCCN1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC001234552844 1313155293 /nfs/dbraw/zinc/15/52/93/1313155293.db2.gz KUSXOFXGAIBIIV-UHFFFAOYSA-N 1 0 344.455 2.708 20 10 EFCDRO COc1ccc2ccc(O)c(C[NH+]3CCC4(CCC(=O)N4)CC3)c2c1 ZINC001234568680 1313160549 /nfs/dbraw/zinc/16/05/49/1313160549.db2.gz AODWPTHEINEBEF-UHFFFAOYSA-N 1 0 340.423 2.799 20 10 EFCDRO COc1cc(Br)cc(CN2C[C@@H](C)[N@H+](C)C[C@H]2C)c1O ZINC000775984897 1295561851 /nfs/dbraw/zinc/56/18/51/1295561851.db2.gz HSMNOIJVXHEHBM-GHMZBOCLSA-N 1 0 343.265 2.688 20 10 EFCDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000775992516 1295623049 /nfs/dbraw/zinc/62/30/49/1295623049.db2.gz HAMFGLQIBJADNR-CRAIPNDOSA-N 1 0 337.391 2.945 20 10 EFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)COc1ccc(F)cc1 ZINC001199688909 1295682580 /nfs/dbraw/zinc/68/25/80/1295682580.db2.gz JIGPSGYOTBPWPT-LJQANCHMSA-N 1 0 344.430 2.955 20 10 EFCDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000105206752 1295686909 /nfs/dbraw/zinc/68/69/09/1295686909.db2.gz KXQCGFGJFBEUQD-QGZVFWFLSA-N 1 0 344.503 2.600 20 10 EFCDRO CCOCC(COCC)Oc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001234658075 1313179427 /nfs/dbraw/zinc/17/94/27/1313179427.db2.gz SMTJBLABROISJR-UHFFFAOYSA-N 1 0 336.476 2.649 20 10 EFCDRO CC[NH+]1CCN(c2ccc(O[C@H](C)CO[C@H](C)COC)cc2)CC1 ZINC001234661575 1313180125 /nfs/dbraw/zinc/18/01/25/1313180125.db2.gz VDHWBJXUCKQAMX-IAGOWNOFSA-N 1 0 336.476 2.647 20 10 EFCDRO COc1ccc(C[NH2+]CC2CCN(C(=O)COC(C)C)CC2)cc1C ZINC001204693783 1313182056 /nfs/dbraw/zinc/18/20/56/1313182056.db2.gz WPPOXXXKWSUVQP-UHFFFAOYSA-N 1 0 348.487 2.757 20 10 EFCDRO C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000305112873 1295911900 /nfs/dbraw/zinc/91/19/00/1295911900.db2.gz DOUDMBIQHLNYHQ-ZOBUZTSGSA-N 1 0 336.451 2.864 20 10 EFCDRO CS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234996854 1313218797 /nfs/dbraw/zinc/21/87/97/1313218797.db2.gz NOSJRNIFVPRKDO-INIZCTEOSA-N 1 0 331.437 2.678 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@]3(CCN(C)C3=O)CC2)c(O)c1 ZINC001274660272 1296132002 /nfs/dbraw/zinc/13/20/02/1296132002.db2.gz HAILGSXXZULQBB-IBGZPJMESA-N 1 0 332.444 2.544 20 10 EFCDRO CC(C)(C)c1cc(O)c(CN2CCO[C@@H]3CC[NH2+]C[C@@H]32)cc1Cl ZINC001235007845 1313222442 /nfs/dbraw/zinc/22/24/42/1313222442.db2.gz NUSFSUFRCUTGPB-DOTOQJQBSA-N 1 0 338.879 2.906 20 10 EFCDRO CCOC(=O)c1c(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)c2ccccc2n1C ZINC001235020929 1313225723 /nfs/dbraw/zinc/22/57/23/1313225723.db2.gz GVTGUFGRTADFCL-WMLDXEAASA-N 1 0 341.455 2.539 20 10 EFCDRO CCOC(=O)c1c(CN2CC[C@@]3(CC[NH2+]C3)C2)c2ccccc2n1C ZINC001235034509 1313229034 /nfs/dbraw/zinc/22/90/34/1313229034.db2.gz ZNLYJTOWOBCJGV-HXUWFJFHSA-N 1 0 341.455 2.540 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CCOC2)cc1C ZINC000959908601 1296222987 /nfs/dbraw/zinc/22/29/87/1296222987.db2.gz IQPLKJVGZNQIIN-ROUUACIJSA-N 1 0 346.471 2.511 20 10 EFCDRO Oc1ccccc1C[N@@H+]1CCC[C@]2(CN(Cc3ccc[nH]3)CCO2)C1 ZINC001275267428 1296246082 /nfs/dbraw/zinc/24/60/82/1296246082.db2.gz OEEAEWMRXWGYOL-HXUWFJFHSA-N 1 0 341.455 2.587 20 10 EFCDRO C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3ccccc3O)C2)C1 ZINC001275266782 1296246296 /nfs/dbraw/zinc/24/62/96/1296246296.db2.gz DZERXQWRBHPGQJ-HXUWFJFHSA-N 1 0 331.504 2.632 20 10 EFCDRO Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cc(C)ccc2O)n(C)n1 ZINC001275313174 1296255104 /nfs/dbraw/zinc/25/51/04/1296255104.db2.gz CHXDDIXZJNHXOF-OALUTQOASA-N 1 0 340.471 2.591 20 10 EFCDRO Cc1cc(CN2CCCCC23C[NH2+]C3)c(O)cc1Br ZINC001235105989 1313243087 /nfs/dbraw/zinc/24/30/87/1313243087.db2.gz YGCRBIMZTKDCCK-UHFFFAOYSA-N 1 0 325.250 2.791 20 10 EFCDRO C[NH+]1CCC2(C[NH+](Cc3cc(Br)cc(F)c3[O-])C2)CC1 ZINC001235067080 1313235161 /nfs/dbraw/zinc/23/51/61/1313235161.db2.gz PVQOKIXOOMGXRS-UHFFFAOYSA-N 1 0 343.240 2.821 20 10 EFCDRO Oc1c(CN2CCCC[C@]23CC[NH2+]C3)cc2c3c1CCCN3CCC2 ZINC001235116208 1313245366 /nfs/dbraw/zinc/24/53/66/1313245366.db2.gz LTFDOZGZFBIVPA-OAQYLSRUSA-N 1 0 341.499 2.809 20 10 EFCDRO [NH3+][C@]12C[C@H]1CN(Cc1c(O)ccc3cc(Br)ccc31)C2 ZINC001235154201 1313253461 /nfs/dbraw/zinc/25/34/61/1313253461.db2.gz VGLCWMIRKDBKMW-ZBEGNZNMSA-N 1 0 333.229 2.841 20 10 EFCDRO Fc1cc(N2CCOCC2)ccc1CN1CCCC[C@@]12CCC[NH2+]C2 ZINC001235168428 1313256913 /nfs/dbraw/zinc/25/69/13/1313256913.db2.gz RRLYECYMIHYQBH-FQEVSTJZSA-N 1 0 347.478 2.770 20 10 EFCDRO Cc1cc(CN2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)ccc1N(C)C ZINC001235223223 1313267245 /nfs/dbraw/zinc/26/72/45/1313267245.db2.gz BYOZKZRZKFOGRV-HOCLYGCPSA-N 1 0 327.394 2.645 20 10 EFCDRO CCOC(=O)c1c(CN2CC[NH2+]CC[C@@H]2C)c2ccccc2n1C ZINC001205332302 1313270540 /nfs/dbraw/zinc/27/05/40/1313270540.db2.gz OENUSFLSRMYKFH-AWEZNQCLSA-N 1 0 329.444 2.539 20 10 EFCDRO [O-]c1c(Br)cc(F)cc1CN1CC([NH+]2CCCCC2)C1 ZINC001235303713 1313286405 /nfs/dbraw/zinc/28/64/05/1313286405.db2.gz QGPJILMFXPKAIN-UHFFFAOYSA-N 1 0 343.240 2.964 20 10 EFCDRO CCON1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000924796365 1296784547 /nfs/dbraw/zinc/78/45/47/1296784547.db2.gz VBAIYANRANULAB-INIZCTEOSA-N 1 0 333.476 2.590 20 10 EFCDRO Cc1cc(C[N@@H+]2CCc3cccc(O)c3C2)cc(C)c1OCCO ZINC001235372158 1313304311 /nfs/dbraw/zinc/30/43/11/1313304311.db2.gz HMFHEYLCXXJJMT-UHFFFAOYSA-N 1 0 327.424 2.938 20 10 EFCDRO Oc1ccc(C(F)(F)F)cc1CN1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235401071 1313312758 /nfs/dbraw/zinc/31/27/58/1313312758.db2.gz GIANMBDTSKOFGX-GJZGRUSLSA-N 1 0 332.341 2.935 20 10 EFCDRO CCOC(=O)c1c(CN2C[C@H](C)[NH2+]C[C@H]2C)c2ccccc2n1C ZINC001235450610 1313325398 /nfs/dbraw/zinc/32/53/98/1313325398.db2.gz RXYAMFZDIWZZQW-UONOGXRCSA-N 1 0 329.444 2.537 20 10 EFCDRO Cc1cc(O)c(CN2CC[NH2+]C[C@H]2C(C)C)cc1Br ZINC001235457499 1313327622 /nfs/dbraw/zinc/32/76/22/1313327622.db2.gz FDAMUCOMGFLBGE-AWEZNQCLSA-N 1 0 327.266 2.893 20 10 EFCDRO COc1ccc(Br)c(CN2CC[NH2+]C[C@H]2C(C)C)c1O ZINC001235458350 1313327500 /nfs/dbraw/zinc/32/75/00/1313327500.db2.gz ONSPXIUJARFOHS-ZDUSSCGKSA-N 1 0 343.265 2.593 20 10 EFCDRO [NH3+]C[C@@H]1CN(Cc2cc(Br)ccc2O)CCC1(F)F ZINC001205762389 1313350612 /nfs/dbraw/zinc/35/06/12/1313350612.db2.gz LTCVFMFIKGSPPN-SNVBAGLBSA-N 1 0 335.192 2.571 20 10 EFCDRO CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000776245276 1297250071 /nfs/dbraw/zinc/25/00/71/1297250071.db2.gz LUOXALMDHRXADY-UHFFFAOYSA-N 1 0 330.831 2.510 20 10 EFCDRO COC(=O)c1c(CN2C[C@H](C)CC[C@H]2C[NH3+])c2ccccc2n1C ZINC001205838521 1313363920 /nfs/dbraw/zinc/36/39/20/1313363920.db2.gz CKYNOYZXOCZPED-KGLIPLIRSA-N 1 0 329.444 2.524 20 10 EFCDRO CCCCNC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106512290 1297293873 /nfs/dbraw/zinc/29/38/73/1297293873.db2.gz PVPHRVWDHINFMU-UHFFFAOYSA-N 1 0 336.455 2.567 20 10 EFCDRO COCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C12CCC2 ZINC001202281870 1297322293 /nfs/dbraw/zinc/32/22/93/1297322293.db2.gz VITWUEWCVBYBEL-ROUUACIJSA-N 1 0 346.471 2.557 20 10 EFCDRO CC(C)(O)CC[NH+]1CCN(Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235682009 1313373682 /nfs/dbraw/zinc/37/36/82/1313373682.db2.gz UEJCWZQTELACKQ-UHFFFAOYSA-N 1 0 334.504 2.968 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[C@H](C[NH3+])[C@H]2C)c2ccccc2n1C ZINC001205912937 1313375317 /nfs/dbraw/zinc/37/53/17/1313375317.db2.gz FFEBWLRJVIPAKN-HUUCEWRRSA-N 1 0 343.471 2.914 20 10 EFCDRO CCOC(=O)c1c(CN2CCC[C@@H](C[NH3+])[C@@H]2C)c2ccccc2n1C ZINC001205912936 1313375390 /nfs/dbraw/zinc/37/53/90/1313375390.db2.gz FFEBWLRJVIPAKN-GJZGRUSLSA-N 1 0 343.471 2.914 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](NC(=O)CSC)C23CCC3)cc1C ZINC001202406552 1297365873 /nfs/dbraw/zinc/36/58/73/1297365873.db2.gz JRYHLDVAGCCZGB-IAGOWNOFSA-N 1 0 348.512 2.884 20 10 EFCDRO Cc1cc(CN2CCCC3(C[NH2+]C3)C2)c(O)cc1Br ZINC001235715163 1313382971 /nfs/dbraw/zinc/38/29/71/1313382971.db2.gz QKCPQPLQALNENV-UHFFFAOYSA-N 1 0 325.250 2.649 20 10 EFCDRO COCCCN(Cc1cc(Cl)cc(C)c1O)[C@@H]1CCC[NH2+]C1 ZINC001235810514 1313402882 /nfs/dbraw/zinc/40/28/82/1313402882.db2.gz PMCUSZKFWULHHP-MRXNPFEDSA-N 1 0 326.868 2.945 20 10 EFCDRO COc1cccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)o2)c1O ZINC000934939726 1297591241 /nfs/dbraw/zinc/59/12/41/1297591241.db2.gz CKWADWLARBEKDQ-UHFFFAOYSA-N 1 0 344.411 2.910 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000686277747 1297613174 /nfs/dbraw/zinc/61/31/74/1297613174.db2.gz RBRAFLUMQUYWOO-GFCCVEGCSA-N 1 0 336.432 2.746 20 10 EFCDRO [NH3+][C@@H]1CN(Cc2cc(OCc3ccccc3)ccc2O)CC[C@H]1F ZINC001235911657 1313416318 /nfs/dbraw/zinc/41/63/18/1313416318.db2.gz KMGRDWXSOAIBQJ-QZTJIDSGSA-N 1 0 330.403 2.842 20 10 EFCDRO Cc1cc(O)c(CN2CC[C@@H]([NH3+])C(F)(F)C2)cc1Br ZINC001235915463 1313417539 /nfs/dbraw/zinc/41/75/39/1313417539.db2.gz QNBDBCNVFXOGRF-GFCCVEGCSA-N 1 0 335.192 2.631 20 10 EFCDRO Cc1cc(CN2CC[C@@H]([NH3+])C(F)(F)C2)c(O)cc1Br ZINC001235916872 1313417726 /nfs/dbraw/zinc/41/77/26/1313417726.db2.gz SFUPLSGMJVPWSU-GFCCVEGCSA-N 1 0 335.192 2.631 20 10 EFCDRO COc1cccc(N2CC[NH+](Cc3cc(OC)ccc3O)CC2)c1 ZINC000155979629 1297711979 /nfs/dbraw/zinc/71/19/79/1297711979.db2.gz AZYDJWRZEYHRJV-UHFFFAOYSA-N 1 0 328.412 2.732 20 10 EFCDRO CCOC(=O)c1c(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)c2ccccc2n1C ZINC001206197895 1313419617 /nfs/dbraw/zinc/41/96/17/1313419617.db2.gz KCCVLSYCBUAMTF-JKSUJKDBSA-N 1 0 347.434 2.616 20 10 EFCDRO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c(O)cc1Br ZINC001235958427 1313423145 /nfs/dbraw/zinc/42/31/45/1313423145.db2.gz IUNTZRDLGUCSLS-QHBPRCKVSA-N 1 0 325.250 2.632 20 10 EFCDRO N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001206243909 1313425170 /nfs/dbraw/zinc/42/51/70/1313425170.db2.gz HKBHRAAYPMSUNM-LLVKDONJSA-N 1 0 328.256 2.877 20 10 EFCDRO CCN(Cc1cc(Br)c(OC)cc1O)[C@H]1CCC[NH2+]C1 ZINC001236010462 1313431284 /nfs/dbraw/zinc/43/12/84/1313431284.db2.gz SKEXGEQIRURQGM-LBPRGKRZSA-N 1 0 343.265 2.737 20 10 EFCDRO CCN(Cc1ccc(N2CCOCC2)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001236010995 1313431519 /nfs/dbraw/zinc/43/15/19/1313431519.db2.gz VKDZPBFDEJMZFP-QGZVFWFLSA-N 1 0 337.895 2.751 20 10 EFCDRO C[NH+](C)CCn1cc(-c2cc(N3CCc4ccccc43)ncn2)cn1 ZINC001206332226 1313437639 /nfs/dbraw/zinc/43/76/39/1313437639.db2.gz GHWWFVHPNNJVAW-UHFFFAOYSA-N 1 0 334.427 2.596 20 10 EFCDRO [NH3+]C[C@]1(F)CCCCN(Cc2cc(Br)ccc2O)C1 ZINC001206335513 1313438400 /nfs/dbraw/zinc/43/84/00/1313438400.db2.gz FQMOTTYREBKIFH-CQSZACIVSA-N 1 0 331.229 2.808 20 10 EFCDRO Cc1cc(O)c(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1Br ZINC001236095006 1313440707 /nfs/dbraw/zinc/44/07/07/1313440707.db2.gz ARYJQUVBSALLSO-BETUJISGSA-N 1 0 325.250 2.789 20 10 EFCDRO COc1cc(C)c(CN2CC[NH2+]C[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC001236127014 1313444105 /nfs/dbraw/zinc/44/41/05/1313444105.db2.gz AOAKEGDOQNAOLF-GOSISDBHSA-N 1 0 330.403 2.995 20 10 EFCDRO CN(C)c1ccc(CN2CC[NH2+]C[C@H]2c2ccc(F)cc2)c(O)c1 ZINC001236131436 1313445115 /nfs/dbraw/zinc/44/51/15/1313445115.db2.gz VUBMAMZTKVNQNP-SFHVURJKSA-N 1 0 329.419 2.744 20 10 EFCDRO CCCC[C@H]1CN(Cc2ccc(N3CCOCC3)cc2F)CC[NH2+]1 ZINC001236137526 1313445851 /nfs/dbraw/zinc/44/58/51/1313445851.db2.gz MWVYIXQBOKFMRK-KRWDZBQOSA-N 1 0 335.467 2.626 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(CN2CC(O)([C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001236161822 1313449220 /nfs/dbraw/zinc/44/92/20/1313449220.db2.gz AUXOFUJMPBMKFS-FQEVSTJZSA-N 1 0 339.483 2.783 20 10 EFCDRO Oc1c(CN2CC(O)([C@H]3CCCC[NH2+]3)C2)cccc1-c1ccccc1 ZINC001236166953 1313450432 /nfs/dbraw/zinc/45/04/32/1313450432.db2.gz VCQKHRSRYKNHSF-LJQANCHMSA-N 1 0 338.451 2.748 20 10 EFCDRO C[N@H+](Cc1cc(Br)cc(F)c1[O-])[C@H]1CCCC[C@@H]1[NH3+] ZINC001236212958 1313456518 /nfs/dbraw/zinc/45/65/18/1313456518.db2.gz ANJBFNPYPJRPRK-STQMWFEESA-N 1 0 331.229 2.996 20 10 EFCDRO [NH3+][C@@H]1C[C@H](F)CN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001206435075 1313453183 /nfs/dbraw/zinc/45/31/83/1313453183.db2.gz JPSOPAFLBLMRAK-DLBZAZTESA-N 1 0 330.403 2.842 20 10 EFCDRO COC(=O)c1c(CN(C)[C@@H]2CCCC[C@@H]2[NH3+])c2ccccc2n1C ZINC001236213870 1313456678 /nfs/dbraw/zinc/45/66/78/1313456678.db2.gz CCDXWVJUGTWHEM-DOTOQJQBSA-N 1 0 329.444 2.667 20 10 EFCDRO COc1cc(O)c(CN(C)[C@@]2(C)CCC[NH2+]C2)cc1Br ZINC001236207594 1313455736 /nfs/dbraw/zinc/45/57/36/1313455736.db2.gz RDELFONZQCRJHY-HNNXBMFYSA-N 1 0 343.265 2.737 20 10 EFCDRO COc1cc(O)c(CN(C)[C@@]2(C)CCC[NH2+]C2)c(Br)c1 ZINC001236209206 1313456073 /nfs/dbraw/zinc/45/60/73/1313456073.db2.gz ZILQSXPCEAEAOH-HNNXBMFYSA-N 1 0 343.265 2.737 20 10 EFCDRO COc1cccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c1O ZINC000189617785 1298033298 /nfs/dbraw/zinc/03/32/98/1298033298.db2.gz MLZCDPUQWWXUGS-IUODEOHRSA-N 1 0 333.350 2.974 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[C@H]1O ZINC000779199941 1298051443 /nfs/dbraw/zinc/05/14/43/1298051443.db2.gz NHJXGVSTABDHFM-KBXCAEBGSA-N 1 0 333.432 2.788 20 10 EFCDRO Oc1ccc2cc(Br)ccc2c1CN1C[C@H]2C[NH2+][C@@H]2C1 ZINC001236286357 1313465313 /nfs/dbraw/zinc/46/53/13/1313465313.db2.gz MWMJSUYRXGNHGI-IAQYHMDHSA-N 1 0 333.229 2.712 20 10 EFCDRO COC(=O)c1c(CN(C)[C@@H]2CCCC[C@H]2[NH3+])c2ccccc2n1C ZINC001236213873 1313456767 /nfs/dbraw/zinc/45/67/67/1313456767.db2.gz CCDXWVJUGTWHEM-NVXWUHKLSA-N 1 0 329.444 2.667 20 10 EFCDRO COC(=O)c1c(CN2CCC[C@H]([NH2+]C3CC3)C2)c2ccccc2n1C ZINC001236222052 1313457215 /nfs/dbraw/zinc/45/72/15/1313457215.db2.gz ILXYNPKSUURTRV-HNNXBMFYSA-N 1 0 341.455 2.681 20 10 EFCDRO CC(C)[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000961046094 1298066548 /nfs/dbraw/zinc/06/65/48/1298066548.db2.gz IAUNKVXAYSGWGF-OAHLLOKOSA-N 1 0 331.420 2.794 20 10 EFCDRO CCOC(=O)CN(CCC[NH3+])Cc1cccc(-c2ccccc2)c1O ZINC001236303836 1313467362 /nfs/dbraw/zinc/46/73/62/1313467362.db2.gz QUPPRKILROYTKB-UHFFFAOYSA-N 1 0 342.439 2.773 20 10 EFCDRO CCCN(Cc1ccc(N2CCOCC2)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC001236323328 1313469124 /nfs/dbraw/zinc/46/91/24/1313469124.db2.gz DVBKXLAQVXJUJV-INIZCTEOSA-N 1 0 337.895 2.751 20 10 EFCDRO CCCN(Cc1c(O)cc(OC)cc1Br)[C@H]1CC[NH2+]C1 ZINC001236322934 1313469163 /nfs/dbraw/zinc/46/91/63/1313469163.db2.gz AVWCQTJNAUZTSY-NSHDSACASA-N 1 0 343.265 2.737 20 10 EFCDRO CCCN(Cc1ccc(N2CCOCC2)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC001236323329 1313469884 /nfs/dbraw/zinc/46/98/84/1313469884.db2.gz DVBKXLAQVXJUJV-MRXNPFEDSA-N 1 0 337.895 2.751 20 10 EFCDRO CCCN(Cc1c2ccccc2n(C)c1C(=O)OCC)[C@H]1CC[NH2+]C1 ZINC001236324459 1313470011 /nfs/dbraw/zinc/47/00/11/1313470011.db2.gz QLNCBEQIBHLBQS-HNNXBMFYSA-N 1 0 343.471 2.929 20 10 EFCDRO COCCN(Cc1ccc(N(C)C)c2ccccc12)[C@@H]1CC[NH2+]C1 ZINC001236333819 1313471571 /nfs/dbraw/zinc/47/15/71/1313471571.db2.gz KXPDMPQGJSNFCY-QGZVFWFLSA-N 1 0 327.472 2.716 20 10 EFCDRO COCCN(Cc1cc(Cl)c(Cl)cc1O)[C@H]1CCC[NH2+]C1 ZINC001236333747 1313471612 /nfs/dbraw/zinc/47/16/12/1313471612.db2.gz YWMAQHLIRMEXOR-LBPRGKRZSA-N 1 0 333.259 2.899 20 10 EFCDRO COc1cc(CN2CCC([NH+](C)C)CC2)c(O)cc1Br ZINC001236744454 1313520486 /nfs/dbraw/zinc/52/04/86/1313520486.db2.gz CAPGMVZKSFSYLX-UHFFFAOYSA-N 1 0 343.265 2.689 20 10 EFCDRO COc1cc(CN2CCC[C@@H]([NH+](C)C)C2)c(O)cc1Br ZINC001236745437 1313521359 /nfs/dbraw/zinc/52/13/59/1313521359.db2.gz CVHAQNAEFCITIM-GFCCVEGCSA-N 1 0 343.265 2.689 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)cc1OC ZINC001236748998 1313521543 /nfs/dbraw/zinc/52/15/43/1313521543.db2.gz DGVHDPOOJKCXGW-BONVTDFDSA-N 1 0 349.349 2.545 20 10 EFCDRO COc1cc(C[N@@H+]2CCCC3(COC3)C2)c(O)cc1Br ZINC001236748901 1313521879 /nfs/dbraw/zinc/52/18/79/1313521879.db2.gz WHWHQJOVBSAUSA-UHFFFAOYSA-N 1 0 342.233 2.776 20 10 EFCDRO COc1cc(C[N@@H+]2CCCC[C@@](C)(O)C2)c(O)cc1Br ZINC001236749028 1313521964 /nfs/dbraw/zinc/52/19/64/1313521964.db2.gz XVIJSMWXLYQHJU-OAHLLOKOSA-N 1 0 344.249 2.900 20 10 EFCDRO CC[N@@H+]1CCN(Cc2cc(OC)c(Br)cc2O)C[C@H]1C ZINC001236751295 1313522322 /nfs/dbraw/zinc/52/23/22/1313522322.db2.gz SMDOQENYNQYLKZ-LLVKDONJSA-N 1 0 343.265 2.689 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@]23CCOC3)c(O)cc1Br ZINC001236755420 1313522876 /nfs/dbraw/zinc/52/28/76/1313522876.db2.gz CFXYRBIYOWSERE-OAHLLOKOSA-N 1 0 342.233 2.918 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c(O)cc1Br ZINC001236757435 1313523147 /nfs/dbraw/zinc/52/31/47/1313523147.db2.gz UPYHJJHMXABCDN-CQSZACIVSA-N 1 0 344.249 2.899 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c(O)cc1Br ZINC001236756080 1313523167 /nfs/dbraw/zinc/52/31/67/1313523167.db2.gz IJYCGBVKMGDLMU-QMTHXVAHSA-N 1 0 342.233 2.774 20 10 EFCDRO CCOC(=O)[C@H]1CCCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001236757924 1313523229 /nfs/dbraw/zinc/52/32/29/1313523229.db2.gz QUJHKPREWKYNQY-ZDUSSCGKSA-N 1 0 337.416 2.575 20 10 EFCDRO C[N@H+](Cc1cc(O)c(Br)cc1O)[C@H]1CC[C@H](O)CC1 ZINC001236763747 1313524372 /nfs/dbraw/zinc/52/43/72/1313524372.db2.gz BXSHCWCZMXQRTF-XYPYZODXSA-N 1 0 330.222 2.596 20 10 EFCDRO CC[NH+](CC)[C@H]1CCN(Cc2cc(O)c(Br)cc2O)C1 ZINC001236770683 1313526123 /nfs/dbraw/zinc/52/61/23/1313526123.db2.gz JQAOIVCPHJQBBK-LBPRGKRZSA-N 1 0 343.265 2.776 20 10 EFCDRO Oc1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)c(O)cc1Br ZINC001236776092 1313526875 /nfs/dbraw/zinc/52/68/75/1313526875.db2.gz SXHLGHLAPITOCI-LBPRGKRZSA-N 1 0 341.249 2.530 20 10 EFCDRO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001236778510 1313527406 /nfs/dbraw/zinc/52/74/06/1313527406.db2.gz HXNMBCSNBHHJEN-IRXDYDNUSA-N 1 0 331.387 2.876 20 10 EFCDRO CC[N@H+](CCC(N)=O)Cc1cc(OCc2ccccc2)ccc1O ZINC001236784198 1313528164 /nfs/dbraw/zinc/52/81/64/1313528164.db2.gz AQWLGUXBFOUTCW-UHFFFAOYSA-N 1 0 328.412 2.669 20 10 EFCDRO CCc1ccc(C[NH+]2C[C@H]3CN(C(=O)c4ccco4)C[C@@H]3C2)c(O)c1 ZINC001236787623 1313528373 /nfs/dbraw/zinc/52/83/73/1313528373.db2.gz LITXBMPWNWJGMZ-IRXDYDNUSA-N 1 0 340.423 2.752 20 10 EFCDRO CCc1ccc(C[NH+]2CCN(CCc3ccccn3)CC2)c(O)c1 ZINC001236786758 1313528428 /nfs/dbraw/zinc/52/84/28/1313528428.db2.gz IHDXPRWYVMQFNX-UHFFFAOYSA-N 1 0 325.456 2.710 20 10 EFCDRO CCc1ccc(C[N@@H+]2Cc3cnn(CC)c3[C@@H](COC)C2)c(O)c1 ZINC001236786984 1313528453 /nfs/dbraw/zinc/52/84/53/1313528453.db2.gz UBQLEEFKEXPCDE-QGZVFWFLSA-N 1 0 329.444 2.917 20 10 EFCDRO CCc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccn3)C2)c(O)c1 ZINC001236789601 1313529494 /nfs/dbraw/zinc/52/94/94/1313529494.db2.gz ZTXFCDFKFWTZMX-QGZVFWFLSA-N 1 0 339.439 2.744 20 10 EFCDRO CCc1ccc(C[N@@H+]2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1 ZINC001236788020 1313529519 /nfs/dbraw/zinc/52/95/19/1313529519.db2.gz XRJASTJFZRJKEZ-SCAQPMJSSA-N 1 0 332.444 2.910 20 10 EFCDRO CCc1ccc(C[NH+]2CCN(c3ncccc3OC)CC2)c(O)c1 ZINC001236791815 1313530238 /nfs/dbraw/zinc/53/02/38/1313530238.db2.gz MDHWFSVSDOMFAA-UHFFFAOYSA-N 1 0 327.428 2.680 20 10 EFCDRO COc1cc(O)c(C[N@H+](C(C)C)[C@@H]2CCN(C(C)=O)C2)c(Cl)c1 ZINC001236810106 1313533730 /nfs/dbraw/zinc/53/37/30/1313533730.db2.gz ZQJAOMDRZYNPRQ-CYBMUJFWSA-N 1 0 340.851 2.885 20 10 EFCDRO CCOCC[NH+](CCOCC)Cc1c(O)cc(OC)cc1Cl ZINC001236803356 1313532260 /nfs/dbraw/zinc/53/22/60/1313532260.db2.gz MLXSVMPIMGWHPP-UHFFFAOYSA-N 1 0 331.840 2.929 20 10 EFCDRO COc1cc(O)c(C[NH+]2CCC(c3nncn3C)CC2)c(Cl)c1 ZINC001236802708 1313532513 /nfs/dbraw/zinc/53/25/13/1313532513.db2.gz KHMOQLIYKPCERU-UHFFFAOYSA-N 1 0 336.823 2.562 20 10 EFCDRO COc1cc(O)c(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)c(Cl)c1 ZINC001236807755 1313532774 /nfs/dbraw/zinc/53/27/74/1313532774.db2.gz IJQWFHDZWWIWFX-UHFFFAOYSA-N 1 0 334.803 2.756 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)c([O-])c1Cl ZINC001236806604 1313532893 /nfs/dbraw/zinc/53/28/93/1313532893.db2.gz DPMHEBCZHXYWOV-CYBMUJFWSA-N 1 0 338.835 2.545 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)Cc2cn(C)nc21 ZINC001236807483 1313533163 /nfs/dbraw/zinc/53/31/63/1313533163.db2.gz DRLFJDPJXKHUNR-HNNXBMFYSA-N 1 0 345.443 2.579 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCc3cc4c(cc3C2)OCO4)c(O)c1 ZINC001236809462 1313533879 /nfs/dbraw/zinc/53/38/79/1313533879.db2.gz WCXBLIQNPFHOCD-UHFFFAOYSA-N 1 0 327.380 2.996 20 10 EFCDRO CCOC[C@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)Cc2c1cnn2C ZINC001236810488 1313534031 /nfs/dbraw/zinc/53/40/31/1313534031.db2.gz YLDGMUAZJAQAJX-CQSZACIVSA-N 1 0 345.443 2.579 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)c(O)c1 ZINC001236812080 1313534954 /nfs/dbraw/zinc/53/49/54/1313534954.db2.gz VSNBRAGTUQVZQX-UHFFFAOYSA-N 1 0 339.439 2.977 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)c(O)c1 ZINC001236811692 1313534966 /nfs/dbraw/zinc/53/49/66/1313534966.db2.gz RONFUYKCFSMNNB-CRAIPNDOSA-N 1 0 346.471 2.788 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCC3(CC(=O)N(C(C)C)C3)CC2)c(O)c1 ZINC001236812536 1313534991 /nfs/dbraw/zinc/53/49/91/1313534991.db2.gz BCQFPIHFHRZQAC-UHFFFAOYSA-N 1 0 346.471 2.932 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](Oc3ncc(C)cn3)C2)c(O)c1 ZINC001236812998 1313535415 /nfs/dbraw/zinc/53/54/15/1313535415.db2.gz DJIMAKNWYJXGJY-OAHLLOKOSA-N 1 0 343.427 2.851 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001236814529 1313535567 /nfs/dbraw/zinc/53/55/67/1313535567.db2.gz UBJVEUREJZZVEC-PXNSSMCTSA-N 1 0 347.455 2.869 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](Oc3ncccn3)C2)c(O)c1 ZINC001236816400 1313535816 /nfs/dbraw/zinc/53/58/16/1313535816.db2.gz UGUIVHKHQDXZRO-CQSZACIVSA-N 1 0 329.400 2.543 20 10 EFCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)Cc2ccccc21 ZINC001236817237 1313535863 /nfs/dbraw/zinc/53/58/63/1313535863.db2.gz DGAUQUQAUOGVKC-GOSISDBHSA-N 1 0 341.407 2.982 20 10 EFCDRO COc1cc(C)c(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)c(O)c1 ZINC001236814095 1313536072 /nfs/dbraw/zinc/53/60/72/1313536072.db2.gz OYQGIKAYCVLOGJ-UHFFFAOYSA-N 1 0 332.444 2.544 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCC(Oc3ncc(C)cn3)CC2)c(O)c1 ZINC001236815343 1313536198 /nfs/dbraw/zinc/53/61/98/1313536198.db2.gz JTHISXKTHKYEEU-UHFFFAOYSA-N 1 0 343.427 2.851 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCN(c3ccc(O)cc3)CC2)c(O)c1 ZINC001236819680 1313536440 /nfs/dbraw/zinc/53/64/40/1313536440.db2.gz ZESWYMBIHRHWNB-UHFFFAOYSA-N 1 0 328.412 2.737 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCC(Oc3cnccn3)CC2)c(O)c1 ZINC001236820912 1313536504 /nfs/dbraw/zinc/53/65/04/1313536504.db2.gz PCQUQPUAXBITHC-UHFFFAOYSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1cc(C)c(C[NH+]2CCC(N(C(C)=O)C(C)C)CC2)c(O)c1 ZINC001236821625 1313536553 /nfs/dbraw/zinc/53/65/53/1313536553.db2.gz RQXHGWFIGDIRCW-UHFFFAOYSA-N 1 0 334.460 2.931 20 10 EFCDRO CN(C)c1ccc(/C=C/CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903984404 1313537584 /nfs/dbraw/zinc/53/75/84/1313537584.db2.gz VPFZZBPEYHLDAA-MEGKRXCUSA-N 1 0 327.394 2.977 20 10 EFCDRO COc1ncnc2c1CC[N@H+](Cc1cc3ccccc3cc1O)CC2 ZINC001236829155 1313538128 /nfs/dbraw/zinc/53/81/28/1313538128.db2.gz FDNDFEWVHDBJOV-UHFFFAOYSA-N 1 0 335.407 2.945 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001236918284 1313553335 /nfs/dbraw/zinc/55/33/35/1313553335.db2.gz DRJJDWWMZKNKSQ-YJBOKZPZSA-N 1 0 336.863 2.787 20 10 EFCDRO OC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236925997 1313554527 /nfs/dbraw/zinc/55/45/27/1313554527.db2.gz ZYBDVEJNLUJZTK-OAHLLOKOSA-N 1 0 338.879 2.771 20 10 EFCDRO CC(=O)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236927335 1313554560 /nfs/dbraw/zinc/55/45/60/1313554560.db2.gz PGIVORFFBKEHOX-UHFFFAOYSA-N 1 0 336.863 2.978 20 10 EFCDRO C[C@]1(O)CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236925817 1313554728 /nfs/dbraw/zinc/55/47/28/1313554728.db2.gz XPGBEOYUUMCKPS-SFHVURJKSA-N 1 0 338.879 2.914 20 10 EFCDRO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1ccc(N2CCOCC2)cc1Cl ZINC001236928604 1313555179 /nfs/dbraw/zinc/55/51/79/1313555179.db2.gz XYGLXJRDZMILDC-LPHOPBHVSA-N 1 0 349.906 2.703 20 10 EFCDRO CCCCOC1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236939533 1313557090 /nfs/dbraw/zinc/55/70/90/1313557090.db2.gz SBFCXLAWTBFHHE-UHFFFAOYSA-N 1 0 335.467 2.578 20 10 EFCDRO CN(Cc1nccs1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236934906 1313557626 /nfs/dbraw/zinc/55/76/26/1313557626.db2.gz AIBLASJCGOCKOE-UHFFFAOYSA-N 1 0 334.464 2.666 20 10 EFCDRO CCN(CC)c1ccc(CN2CC[NH2+]C[C@H]2C(F)(F)F)c(OC)c1 ZINC001236977837 1313564692 /nfs/dbraw/zinc/56/46/92/1313564692.db2.gz XGTTWKPAJCHJFE-INIZCTEOSA-N 1 0 345.409 2.878 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3cncs3)C2)cc1C ZINC000961596599 1298922771 /nfs/dbraw/zinc/92/27/71/1298922771.db2.gz KLBHOJVJJKOUOP-UHFFFAOYSA-N 1 0 345.468 2.758 20 10 EFCDRO COc1ccc2ccc(O)c(CN3CC[NH2+]C[C@H]3C(F)(F)F)c2c1 ZINC001236981782 1313566143 /nfs/dbraw/zinc/56/61/43/1313566143.db2.gz NXIXFNZFOYNCMH-INIZCTEOSA-N 1 0 340.345 2.890 20 10 EFCDRO COCCCN(Cc1cc2c3c(c1)CCCN3CCC2)[C@@H]1CC[NH2+]C1 ZINC001236949804 1313559662 /nfs/dbraw/zinc/55/96/62/1313559662.db2.gz XLTIGYJXBYUFLP-HXUWFJFHSA-N 1 0 343.515 2.586 20 10 EFCDRO COC(=O)[C@H]1COCCC12C[NH+](Cc1ccc(C(C)C)cc1O)C2 ZINC001237050231 1313576212 /nfs/dbraw/zinc/57/62/12/1313576212.db2.gz ZPJCPBQWSVNJCE-MRXNPFEDSA-N 1 0 333.428 2.527 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC(NC(=O)C(C)(C)C)CC2)c(O)c1 ZINC001237048002 1313574982 /nfs/dbraw/zinc/57/49/82/1313574982.db2.gz OIZPWPZIAQUZJP-UHFFFAOYSA-N 1 0 334.460 2.918 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(OC)n3)C2)c(O)c1 ZINC001237046833 1313575442 /nfs/dbraw/zinc/57/54/42/1313575442.db2.gz GRSZQLLIAVLTHB-MRXNPFEDSA-N 1 0 344.411 2.848 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)c(O)c1 ZINC001237049848 1313575775 /nfs/dbraw/zinc/57/57/75/1313575775.db2.gz MHFUPPSGLDLOTP-ZIAGYGMSSA-N 1 0 333.350 2.926 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@H](Oc3nccc(C)n3)C2)c(O)c1 ZINC001237048471 1313575825 /nfs/dbraw/zinc/57/58/25/1313575825.db2.gz SFCVSIYCQVIPOU-INIZCTEOSA-N 1 0 329.400 2.543 20 10 EFCDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc(OCC(F)(F)F)cc1O ZINC001237063493 1313579916 /nfs/dbraw/zinc/57/99/16/1313579916.db2.gz RRNDTHPOXHCQRW-STQMWFEESA-N 1 0 330.350 2.612 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](O)CC2)c(Br)c1 ZINC001237064082 1313580043 /nfs/dbraw/zinc/58/00/43/1313580043.db2.gz WMZQAEOXOGCZCN-SNVBAGLBSA-N 1 0 330.222 2.510 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000085367281 1299016203 /nfs/dbraw/zinc/01/62/03/1299016203.db2.gz GIDRMIFKQPPYDF-CHWSQXEVSA-N 1 0 337.464 2.737 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2CO)c(Br)c1 ZINC001237063542 1313580383 /nfs/dbraw/zinc/58/03/83/1313580383.db2.gz TWGFHADSNPGXNN-SNVBAGLBSA-N 1 0 330.222 2.510 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c(Br)c1 ZINC001237070718 1313582114 /nfs/dbraw/zinc/58/21/14/1313582114.db2.gz OSMINBQQZVTOJU-RTCCRHLQSA-N 1 0 330.197 2.811 20 10 EFCDRO C[NH+](C)CCCN1CCN(Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237084653 1313583649 /nfs/dbraw/zinc/58/36/49/1313583649.db2.gz MUCZOWCJWADXFU-UHFFFAOYSA-N 1 0 346.302 2.768 20 10 EFCDRO CC(C)(O)CC[NH+]1CCN(Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237087608 1313583746 /nfs/dbraw/zinc/58/37/46/1313583746.db2.gz ZQOZLKHXXVUJTK-UHFFFAOYSA-N 1 0 347.286 2.978 20 10 EFCDRO COC(=O)[C@@H]1COCCC12C[NH+](Cc1ccc(C(C)C)cc1O)C2 ZINC001237050230 1313576431 /nfs/dbraw/zinc/57/64/31/1313576431.db2.gz ZPJCPBQWSVNJCE-INIZCTEOSA-N 1 0 333.428 2.527 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CC[C@H](Oc3nccnc3C)C2)c(O)c1 ZINC001237048867 1313576457 /nfs/dbraw/zinc/57/64/57/1313576457.db2.gz YQWFIJZBTRATEL-INIZCTEOSA-N 1 0 329.400 2.543 20 10 EFCDRO CN(Cc1ccc(OCC(F)(F)F)cc1O)Cc1ncccn1 ZINC001237053757 1313576737 /nfs/dbraw/zinc/57/67/37/1313576737.db2.gz PFONMYFRGWKSGM-UHFFFAOYSA-N 1 0 327.306 2.755 20 10 EFCDRO C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC[C@@H]1O ZINC001237052879 1313576954 /nfs/dbraw/zinc/57/69/54/1313576954.db2.gz DJBGWYXCLDWMBA-RISCZKNCSA-N 1 0 333.350 2.926 20 10 EFCDRO CC(C)c1ccc(C[N@@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c(O)c1 ZINC001237051204 1313577369 /nfs/dbraw/zinc/57/73/69/1313577369.db2.gz JPEHAPHXYZQQJK-ROUUACIJSA-N 1 0 328.456 2.816 20 10 EFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001237057347 1313577535 /nfs/dbraw/zinc/57/75/35/1313577535.db2.gz BNBYWWQSMGXMPD-DOMZBBRYSA-N 1 0 331.334 2.944 20 10 EFCDRO C[N@@H+]1C[C@H]2CCCN(Cc3ccc(OCC(F)(F)F)cc3O)[C@@H]2C1 ZINC001237056590 1313577860 /nfs/dbraw/zinc/57/78/60/1313577860.db2.gz MQDJSYPCOCUOSB-IUODEOHRSA-N 1 0 344.377 2.859 20 10 EFCDRO C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CCC[C@@H]1O ZINC001237053779 1313578164 /nfs/dbraw/zinc/57/81/64/1313578164.db2.gz QHMYEKSRFOBSEP-FZMZJTMJSA-N 1 0 333.350 2.926 20 10 EFCDRO C[N@H+](CCC1OCCO1)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237059420 1313578679 /nfs/dbraw/zinc/57/86/79/1313578679.db2.gz MUOFXWLMHNMKRX-UHFFFAOYSA-N 1 0 335.322 2.528 20 10 EFCDRO Cc1noc([C@H]2CC[N@H+](Cc3c(O)cccc3OC(F)(F)F)C2)n1 ZINC001237114935 1313588174 /nfs/dbraw/zinc/58/81/74/1313588174.db2.gz POHNOEZUDRZRNG-JTQLQIEISA-N 1 0 343.305 2.972 20 10 EFCDRO C[N@H+](C1CC1)[C@H]1CCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237114392 1313588448 /nfs/dbraw/zinc/58/84/48/1313588448.db2.gz KVVRFNBBVLPXIU-LBPRGKRZSA-N 1 0 330.350 2.959 20 10 EFCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001237120360 1313590141 /nfs/dbraw/zinc/59/01/41/1313590141.db2.gz COYPDWIMEDUVGC-KRWDZBQOSA-N 1 0 348.809 2.830 20 10 EFCDRO O=C(NC1CC[NH+](Cc2cc(C(F)(F)F)ccc2O)CC1)C1CC1 ZINC001237138812 1313592216 /nfs/dbraw/zinc/59/22/16/1313592216.db2.gz HEOXPNVRZNUVHG-UHFFFAOYSA-N 1 0 342.361 2.902 20 10 EFCDRO Oc1ccc(C(F)(F)F)cc1C[NH+]1CCC(N2CCOCC2)CC1 ZINC001237138896 1313592262 /nfs/dbraw/zinc/59/22/62/1313592262.db2.gz ZRVDVBWXZMDUTH-UHFFFAOYSA-N 1 0 344.377 2.708 20 10 EFCDRO Oc1ccc(C(F)(F)F)cc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001237138874 1313592318 /nfs/dbraw/zinc/59/23/18/1313592318.db2.gz IATVEHIHBLSJLB-HNNXBMFYSA-N 1 0 344.377 2.708 20 10 EFCDRO Fc1cc(N2CCOCC2)ccc1CN(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237156487 1313594806 /nfs/dbraw/zinc/59/48/06/1313594806.db2.gz WQQZXRHKUCUGCY-IBGZPJMESA-N 1 0 347.478 2.769 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3cc[nH]c3)C2)cc1C ZINC000961872311 1299187095 /nfs/dbraw/zinc/18/70/95/1299187095.db2.gz ZBMFFLFUYLGUCX-UHFFFAOYSA-N 1 0 327.428 2.630 20 10 EFCDRO FC(F)(F)Oc1ccc(N2CCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001237205490 1313606095 /nfs/dbraw/zinc/60/60/95/1313606095.db2.gz MOOKCKIAMRIRMT-CQSZACIVSA-N 1 0 343.393 2.707 20 10 EFCDRO C[N@@H+](Cc1ccc(N2CCS(=O)(=O)CC2)cc1)CC1CCCC1 ZINC001237210627 1313606548 /nfs/dbraw/zinc/60/65/48/1313606548.db2.gz RQHIJXFKDPMRHS-UHFFFAOYSA-N 1 0 336.501 2.543 20 10 EFCDRO CCCCN(CCCC)c1ccc(C[N@H+](C)C[C@@H](O)CO)c(O)c1 ZINC001237209283 1313606653 /nfs/dbraw/zinc/60/66/53/1313606653.db2.gz WFDSIOKLDOQTJS-GOSISDBHSA-N 1 0 338.492 2.584 20 10 EFCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H](C)C1 ZINC001237211317 1313607024 /nfs/dbraw/zinc/60/70/24/1313607024.db2.gz DZHTZBKKRKJANW-CVEARBPZSA-N 1 0 336.501 2.542 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3ccsn3)C2)cc1C ZINC000961970780 1299283915 /nfs/dbraw/zinc/28/39/15/1299283915.db2.gz CGHFHECWVJWHSH-UHFFFAOYSA-N 1 0 345.468 2.758 20 10 EFCDRO C[C@H]([NH3+])CN1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001237258850 1313614099 /nfs/dbraw/zinc/61/40/99/1313614099.db2.gz PIXRMSPMDCPYAV-HNNXBMFYSA-N 1 0 336.439 2.964 20 10 EFCDRO c1ccc(COc2ccc(N3CCN(CC4C[NH2+]C4)CC3)cc2)cc1 ZINC001237249722 1313612871 /nfs/dbraw/zinc/61/28/71/1313612871.db2.gz RNTRWGHRXNPIAO-UHFFFAOYSA-N 1 0 337.467 2.607 20 10 EFCDRO c1ccc2oc(-c3ccc(N4CCN(CC5C[NH2+]C5)CC4)cc3)nc2c1 ZINC001237257359 1313613441 /nfs/dbraw/zinc/61/34/41/1313613441.db2.gz FUVQCPUNXZAKOB-UHFFFAOYSA-N 1 0 348.450 2.836 20 10 EFCDRO COc1ccc(CN2CC[C@@H]([N@H+](C)Cc3ccccc3O)C2=O)cc1 ZINC000851840414 1299427639 /nfs/dbraw/zinc/42/76/39/1299427639.db2.gz GIMNKYZANZNJAX-GOSISDBHSA-N 1 0 340.423 2.634 20 10 EFCDRO Oc1ccccc1C[N@H+](C[C@@H](O)c1ccccn1)C[C@H]1CCCO1 ZINC000851840629 1299427687 /nfs/dbraw/zinc/42/76/87/1299427687.db2.gz JABWRYFVICGVJH-VQIMIIECSA-N 1 0 328.412 2.502 20 10 EFCDRO Cc1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nc(C)n1 ZINC000851841843 1299429600 /nfs/dbraw/zinc/42/96/00/1299429600.db2.gz YFIARIVJPNJBNR-SFHVURJKSA-N 1 0 327.428 2.980 20 10 EFCDRO C[C@H]([NH2+]CC[C@H]1COC(C)(C)O1)c1ccc(N2CCOCC2)cc1 ZINC000851897862 1299455118 /nfs/dbraw/zinc/45/51/18/1299455118.db2.gz RSQOSOGRKLPZNZ-YJBOKZPZSA-N 1 0 334.460 2.715 20 10 EFCDRO Cc1cc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)ccc1N(C)C ZINC000852283163 1299631022 /nfs/dbraw/zinc/63/10/22/1299631022.db2.gz CQHSATBIXWBZBL-LJQANCHMSA-N 1 0 332.488 2.718 20 10 EFCDRO Oc1cccc(Br)c1CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237394863 1313635959 /nfs/dbraw/zinc/63/59/59/1313635959.db2.gz WPKLPUMZYRUORA-BXUZGUMPSA-N 1 0 325.250 2.729 20 10 EFCDRO Clc1cc(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)ccc1N1CCOCC1 ZINC001237410723 1313640031 /nfs/dbraw/zinc/64/00/31/1313640031.db2.gz CYBKXYWAZKCOEU-FUHWJXTLSA-N 1 0 349.906 2.751 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237413117 1313640955 /nfs/dbraw/zinc/64/09/55/1313640955.db2.gz JHMKHJXBZUFYGZ-VQIMIIECSA-N 1 0 349.906 2.751 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000852466888 1299715265 /nfs/dbraw/zinc/71/52/65/1299715265.db2.gz XULNKLNQNMEAPN-INIZCTEOSA-N 1 0 332.492 2.733 20 10 EFCDRO COC(=O)c1c(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)c2ccccc2n1C ZINC001237418128 1313641371 /nfs/dbraw/zinc/64/13/71/1313641371.db2.gz VXJLRTFBAWQORS-RHSMWYFYSA-N 1 0 341.455 2.539 20 10 EFCDRO Oc1cccc(OC(F)(F)F)c1CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237416066 1313641503 /nfs/dbraw/zinc/64/15/03/1313641503.db2.gz RKIUFWRLHKNMFV-DGCLKSJQSA-N 1 0 330.350 2.865 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3oncc3C)C2)cc1C ZINC000962487397 1299729784 /nfs/dbraw/zinc/72/97/84/1299729784.db2.gz DZEATYLRINBRIH-UHFFFAOYSA-N 1 0 343.427 2.598 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000852603193 1299777557 /nfs/dbraw/zinc/77/75/57/1299777557.db2.gz KKNDBOZURXUIHU-CABCVRRESA-N 1 0 349.475 2.881 20 10 EFCDRO CSc1cc(C)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)o1 ZINC000852791630 1299888868 /nfs/dbraw/zinc/88/88/68/1299888868.db2.gz LDYYIDUTJYXMJM-CQSZACIVSA-N 1 0 333.457 2.806 20 10 EFCDRO Cc1cc(F)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(F)c1 ZINC000852792470 1299889860 /nfs/dbraw/zinc/88/98/60/1299889860.db2.gz XANSYNYEYWFWNV-MRXNPFEDSA-N 1 0 333.382 2.769 20 10 EFCDRO Cc1cccc(O)c1C[NH+]1CCC2(CC(N3CCCC3)=NO2)CC1 ZINC001237489416 1313654821 /nfs/dbraw/zinc/65/48/21/1313654821.db2.gz HITJTJJYCIQXIS-UHFFFAOYSA-N 1 0 329.444 2.865 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)CC(C)(C)N1CCOCC1 ZINC001207304369 1313654972 /nfs/dbraw/zinc/65/49/72/1313654972.db2.gz ZPCMHMRQYVFBNA-UHFFFAOYSA-N 1 0 331.504 2.829 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CCCn2nnc(COCC3CC3)c2C1 ZINC001237487084 1313654991 /nfs/dbraw/zinc/65/49/91/1313654991.db2.gz WTIQEQGHDXWCOY-UHFFFAOYSA-N 1 0 342.443 2.625 20 10 EFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001237487548 1313655376 /nfs/dbraw/zinc/65/53/76/1313655376.db2.gz ANVZVLFGSBKUBD-HXUWFJFHSA-N 1 0 337.423 2.725 20 10 EFCDRO COc1cnc(OC2CC[NH+](Cc3c(C)cccc3O)CC2)nc1 ZINC001237496230 1313656401 /nfs/dbraw/zinc/65/64/01/1313656401.db2.gz XHDVEXPNWDKNHK-UHFFFAOYSA-N 1 0 329.400 2.543 20 10 EFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3c[nH]cc3C)C2)cc1C ZINC000962691894 1299937472 /nfs/dbraw/zinc/93/74/72/1299937472.db2.gz POEIXQGZPZDHPR-UHFFFAOYSA-N 1 0 341.455 2.938 20 10 EFCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c1 ZINC000111171241 1300050186 /nfs/dbraw/zinc/05/01/86/1300050186.db2.gz ORVUGMQASZRXCO-MRXNPFEDSA-N 1 0 346.471 2.982 20 10 EFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000853241703 1300062271 /nfs/dbraw/zinc/06/22/71/1300062271.db2.gz XEYISNNIACDFNW-GDBMZVCRSA-N 1 0 346.471 2.951 20 10 EFCDRO Cc1cc(CC(=O)NC[C@@H]2CCC[NH2+]C2)c(C)n1-c1ccccc1 ZINC000853304294 1300081792 /nfs/dbraw/zinc/08/17/92/1300081792.db2.gz IARUUHCCATUNQN-QGZVFWFLSA-N 1 0 325.456 2.752 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H]4NC(=O)CC[C@H]4C3)c2c1 ZINC000853555982 1300163526 /nfs/dbraw/zinc/16/35/26/1300163526.db2.gz UKZHWCXEWCPXJZ-KBXCAEBGSA-N 1 0 340.423 2.655 20 10 EFCDRO C[C@H]1c2ccccc2OCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000853630409 1300200868 /nfs/dbraw/zinc/20/08/68/1300200868.db2.gz FYZUVPCPFSHBLU-SJCJKPOMSA-N 1 0 327.380 2.774 20 10 EFCDRO C[C@]1(O)COCC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237640659 1313683022 /nfs/dbraw/zinc/68/30/22/1313683022.db2.gz DLAUQIFMGGWJCZ-LJQANCHMSA-N 1 0 331.387 2.782 20 10 EFCDRO C[C@]1(CO)CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C[C@@H]1O ZINC001237640460 1313682372 /nfs/dbraw/zinc/68/23/72/1313682372.db2.gz BTOINQDBYGNQCU-VQTJNVASSA-N 1 0 345.414 2.764 20 10 EFCDRO CN1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC1=O ZINC001237643672 1313682794 /nfs/dbraw/zinc/68/27/94/1313682794.db2.gz AKGACMUSNGFGRC-UHFFFAOYSA-N 1 0 328.387 2.862 20 10 EFCDRO COc1cc(C[N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c(O)c(OC)c1 ZINC001237670563 1313687982 /nfs/dbraw/zinc/68/79/82/1313687982.db2.gz TTXYWWHUELEXGE-IRXDYDNUSA-N 1 0 339.391 2.821 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c(O)c(OC)c1 ZINC001237670325 1313688069 /nfs/dbraw/zinc/68/80/69/1313688069.db2.gz SRGQKIQRTYGJBF-BONVTDFDSA-N 1 0 349.349 2.545 20 10 EFCDRO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237644917 1313683239 /nfs/dbraw/zinc/68/32/39/1313683239.db2.gz FMHQJQDSIAWLGV-QGZVFWFLSA-N 1 0 349.427 2.817 20 10 EFCDRO CN1CCC2(C[NH+](Cc3cc(-c4ccc(F)cc4)ccc3O)C2)C1=O ZINC001237649569 1313684663 /nfs/dbraw/zinc/68/46/63/1313684663.db2.gz LTLIEAZICCFHDV-UHFFFAOYSA-N 1 0 340.398 2.862 20 10 EFCDRO COc1cc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c(O)c(OC)c1 ZINC001237674376 1313689478 /nfs/dbraw/zinc/68/94/78/1313689478.db2.gz FDGLPSXYMTVCBG-UHFFFAOYSA-N 1 0 345.395 2.813 20 10 EFCDRO COc1cc(C[NH+]2CCC3(C[C@H](F)CO3)CC2)c(O)c(OC)c1 ZINC001237681218 1313690617 /nfs/dbraw/zinc/69/06/17/1313690617.db2.gz QBEGNYFEULXPQO-ZDUSSCGKSA-N 1 0 325.380 2.502 20 10 EFCDRO Cc1cc(O)c(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1Br ZINC001237683102 1313690991 /nfs/dbraw/zinc/69/09/91/1313690991.db2.gz WPJKSQUTHCTHBU-TXEJJXNPSA-N 1 0 327.266 2.988 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)c(O)c(OC)c1 ZINC001237684165 1313691526 /nfs/dbraw/zinc/69/15/26/1313691526.db2.gz NEQUXWSQFRYOBM-INIZCTEOSA-N 1 0 344.411 2.848 20 10 EFCDRO COc1ccc2c(c1)C[N@@H+](Cc1cc(OC)cc(OC)c1O)CC2 ZINC001237674901 1313688836 /nfs/dbraw/zinc/68/88/36/1313688836.db2.gz MZCTZARLLSHCBZ-UHFFFAOYSA-N 1 0 329.396 2.976 20 10 EFCDRO COc1cc(CN(CC[NH+](C)C)Cc2ccccc2)c(O)c(OC)c1 ZINC001237674660 1313689072 /nfs/dbraw/zinc/68/90/72/1313689072.db2.gz KXWOJSWEOPHKHO-UHFFFAOYSA-N 1 0 344.455 2.973 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC001237676202 1313689089 /nfs/dbraw/zinc/68/90/89/1313689089.db2.gz KUOKJPYMKUVQHH-GFCCVEGCSA-N 1 0 337.416 2.573 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(O)c(OC)c1 ZINC001237675079 1313689191 /nfs/dbraw/zinc/68/91/91/1313689191.db2.gz SCDDHJJFRXESKE-HNNXBMFYSA-N 1 0 349.349 2.689 20 10 EFCDRO CCO[C@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207473903 1313694676 /nfs/dbraw/zinc/69/46/76/1313694676.db2.gz XQOSIJGAKAOMNP-NVXWUHKLSA-N 1 0 334.460 2.509 20 10 EFCDRO COc1cc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)c(O)c(C(C)(C)C)c1 ZINC000825550164 1300439016 /nfs/dbraw/zinc/43/90/16/1300439016.db2.gz ZBPPIWMNEGFOKJ-UHFFFAOYSA-N 1 0 343.427 2.752 20 10 EFCDRO CNC(=O)c1ccc(C[N@H+](C)Cc2cc(C)cc(OC)c2O)cc1 ZINC000111996263 1300460775 /nfs/dbraw/zinc/46/07/75/1300460775.db2.gz LSFAQCVCZKRFDJ-UHFFFAOYSA-N 1 0 328.412 2.701 20 10 EFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC[C@@H](C)[NH+](C)C ZINC000854176166 1300462248 /nfs/dbraw/zinc/46/22/48/1300462248.db2.gz BQRXTYIGLMOHKP-JKSUJKDBSA-N 1 0 334.508 2.631 20 10 EFCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(N3CCOCC3)n2)cc1Cl ZINC000825550027 1300474818 /nfs/dbraw/zinc/47/48/18/1300474818.db2.gz VZNFSPSRFVWWNG-UHFFFAOYSA-N 1 0 347.846 2.875 20 10 EFCDRO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+](C)Cc1ccccc1O ZINC000112583575 1300677152 /nfs/dbraw/zinc/67/71/52/1300677152.db2.gz UDOXVHPQHHYQBC-GFCCVEGCSA-N 1 0 328.368 2.580 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H](n3cncn3)C2)c(O)c(C(C)(C)C)c1 ZINC000776773066 1300761317 /nfs/dbraw/zinc/76/13/17/1300761317.db2.gz ARIIUCFVXAEPJY-AWEZNQCLSA-N 1 0 330.432 2.737 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)cc2=O ZINC000245839493 1300786515 /nfs/dbraw/zinc/78/65/15/1300786515.db2.gz CEHKMPXGQAIOND-ATCWAGBWSA-N 1 0 346.431 2.526 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1F ZINC000113343346 1300959637 /nfs/dbraw/zinc/95/96/37/1300959637.db2.gz CMNJDVKELPDJSP-AWEZNQCLSA-N 1 0 337.439 2.991 20 10 EFCDRO COc1cccc(C[NH2+]CCc2nc3c(cccc3F)n2C)c1O ZINC000113358697 1300962397 /nfs/dbraw/zinc/96/23/97/1300962397.db2.gz PXYMQEJGHKFGMS-UHFFFAOYSA-N 1 0 329.375 2.759 20 10 EFCDRO CCOC[C@@H]1C[N@H+](Cc2cc(F)cc(C)c2O)Cc2cn(C)nc21 ZINC001238062515 1313753760 /nfs/dbraw/zinc/75/37/60/1313753760.db2.gz TYGUKFRWAWLVIF-HNNXBMFYSA-N 1 0 333.407 2.709 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)c1O ZINC001238063240 1313753889 /nfs/dbraw/zinc/75/38/89/1313753889.db2.gz YUDLSSHQFSSKBL-GDBMZVCRSA-N 1 0 342.418 2.588 20 10 EFCDRO Cc1cc(F)cc(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)c1O ZINC001238061642 1313753333 /nfs/dbraw/zinc/75/33/33/1313753333.db2.gz PLQLGKJWEZAQPQ-QKDCVEJESA-N 1 0 346.446 2.966 20 10 EFCDRO Cc1cc(F)cc(CN2CCn3c(C[N@@H+](C)C(C)C)cnc3C2)c1O ZINC001238061583 1313753450 /nfs/dbraw/zinc/75/34/50/1313753450.db2.gz OZEPGOIYXIMZAE-UHFFFAOYSA-N 1 0 346.450 2.892 20 10 EFCDRO Cc1cc(F)cc(C[NH+]2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)c1O ZINC001238062033 1313753645 /nfs/dbraw/zinc/75/36/45/1313753645.db2.gz SMAVLXMWTKVREO-GJZGRUSLSA-N 1 0 347.459 2.860 20 10 EFCDRO Cc1cc(F)cc(C[N@H+]2C[C@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)c1O ZINC001238066672 1313755262 /nfs/dbraw/zinc/75/52/62/1313755262.db2.gz IQIGIDSNFVAGBW-HIFRSBDPSA-N 1 0 336.407 2.891 20 10 EFCDRO C[C@H]1C[NH2+]C[C@H]1NS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238187311 1313780881 /nfs/dbraw/zinc/78/08/81/1313780881.db2.gz KFPRYRFCSDYZCV-BNTFOVEBSA-N 1 0 344.440 2.988 20 10 EFCDRO CC[C@@H](C)OCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207856232 1313789479 /nfs/dbraw/zinc/78/94/79/1313789479.db2.gz AZUSJAHUUIVYME-SJLPKXTDSA-N 1 0 348.487 2.899 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)CC[C@H](C)OC)C2)cc1C ZINC001207883217 1313795592 /nfs/dbraw/zinc/79/55/92/1313795592.db2.gz DCHRNWNOFZXVET-WMZOPIPTSA-N 1 0 348.487 2.899 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)CCC[NH+](C)C ZINC000860603055 1301855526 /nfs/dbraw/zinc/85/55/26/1301855526.db2.gz BFYJQEJWDUXMNM-UHFFFAOYSA-N 1 0 341.455 2.930 20 10 EFCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CCCn1cncn1 ZINC000862277599 1302326337 /nfs/dbraw/zinc/32/63/37/1302326337.db2.gz GVCFQUHENAOKRZ-UHFFFAOYSA-N 1 0 338.411 2.743 20 10 EFCDRO OC[C@@H]1C[N@H+](Cc2c(O)cccc2Br)CCC1(F)F ZINC000862371573 1302353276 /nfs/dbraw/zinc/35/32/76/1302353276.db2.gz IAQZIYXEPFSSIW-VIFPVBQESA-N 1 0 336.176 2.604 20 10 EFCDRO OCC[N@H+](Cc1c(O)cccc1Br)C1CCSCC1 ZINC000862387300 1302361035 /nfs/dbraw/zinc/36/10/35/1302361035.db2.gz JRTALVFDAFFTIG-UHFFFAOYSA-N 1 0 346.290 2.845 20 10 EFCDRO Cc1ccc(O)c(C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000862478946 1302394646 /nfs/dbraw/zinc/39/46/46/1302394646.db2.gz WYMSCRYCHGFYEO-AWEZNQCLSA-N 1 0 333.453 2.997 20 10 EFCDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(Br)ccc1O ZINC000748242484 1313839799 /nfs/dbraw/zinc/83/97/99/1313839799.db2.gz NJOZYGHKQNKYKS-AWEZNQCLSA-N 1 0 330.222 2.976 20 10 EFCDRO Cc1ccc(O)c(CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000862758621 1302451519 /nfs/dbraw/zinc/45/15/19/1302451519.db2.gz DTWQJOAHFQRNDF-KRWDZBQOSA-N 1 0 339.439 2.624 20 10 EFCDRO CC[C@@H]1CN(C(=O)C(F)F)CC[C@@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001037759013 1302468645 /nfs/dbraw/zinc/46/86/45/1302468645.db2.gz LZLCNFOFXLZNDV-CABCVRRESA-N 1 0 340.414 2.985 20 10 EFCDRO O=C([C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(F)ccc1O)C2)N1CCCCO1 ZINC001278257416 1313846437 /nfs/dbraw/zinc/84/64/37/1313846437.db2.gz VRYXBSVYENZDQK-ZSBFGKGUSA-N 1 0 348.418 2.543 20 10 EFCDRO Cc1c(C[NH+]2CC3(CN(Cc4cn[nH]c4)C3)C2)c2ccccc2n1C ZINC001276557345 1313852371 /nfs/dbraw/zinc/85/23/71/1313852371.db2.gz ZKZGSDURNUXHGB-UHFFFAOYSA-N 1 0 335.455 2.528 20 10 EFCDRO O[C@@H](CNc1ccccc1OC[C@@H]1CCCCO1)C[NH+]1CCCC1 ZINC000863556847 1302648525 /nfs/dbraw/zinc/64/85/25/1302648525.db2.gz YAYJZWAFFUOHNP-IRXDYDNUSA-N 1 0 334.460 2.503 20 10 EFCDRO CCOc1ccc(O)c(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000863646842 1302666690 /nfs/dbraw/zinc/66/66/90/1302666690.db2.gz PXNWIKSRIOFVIH-OCCSQVGLSA-N 1 0 332.366 2.750 20 10 EFCDRO CCOc1ccc(O)c(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000863646843 1302666852 /nfs/dbraw/zinc/66/68/52/1302666852.db2.gz PXNWIKSRIOFVIH-TZMCWYRMSA-N 1 0 332.366 2.750 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3ccsc3)C2)cc1C ZINC001018457501 1313883330 /nfs/dbraw/zinc/88/33/30/1313883330.db2.gz ZFCUYBDBGKUFHV-KRWDZBQOSA-N 1 0 344.480 2.998 20 10 EFCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H](C)O[C@]4(CCOC4)C3)c2c1 ZINC000794707372 1303016275 /nfs/dbraw/zinc/01/62/75/1303016275.db2.gz RNTVDFLFBVPERI-JLTOFOAXSA-N 1 0 343.423 2.934 20 10 EFCDRO C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@]2(CCOC2)O1 ZINC000794708796 1303024097 /nfs/dbraw/zinc/02/40/97/1303024097.db2.gz YSYNYKFNWMEKTL-ORAYPTAESA-N 1 0 335.444 2.775 20 10 EFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000247001327 1303066541 /nfs/dbraw/zinc/06/65/41/1303066541.db2.gz GWRMFYQNWRQKHT-CABCVRRESA-N 1 0 349.475 2.739 20 10 EFCDRO CC[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(C)cc1O ZINC000794796905 1303075885 /nfs/dbraw/zinc/07/58/85/1303075885.db2.gz YATPNHBRLMCYFM-QGZVFWFLSA-N 1 0 348.468 2.631 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccc(C)o3)C2)cc1C ZINC001018471517 1313890392 /nfs/dbraw/zinc/89/03/92/1313890392.db2.gz TZDSBCFXSTZXKS-INIZCTEOSA-N 1 0 328.412 2.909 20 10 EFCDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(C)cc1O ZINC000794804004 1303105824 /nfs/dbraw/zinc/10/58/24/1303105824.db2.gz LKVSGKPIEGXCBS-KRWDZBQOSA-N 1 0 348.468 2.720 20 10 EFCDRO [NH3+][C@@H]1CCN(S(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)C1 ZINC001239118816 1313905911 /nfs/dbraw/zinc/90/59/11/1313905911.db2.gz GDASIHFPQARRLR-NIVDNSEKSA-N 1 0 330.413 2.824 20 10 EFCDRO CCC[C@H](CCO)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000865662621 1303358330 /nfs/dbraw/zinc/35/83/30/1303358330.db2.gz BZYZMKFRWRTOQL-GFCCVEGCSA-N 1 0 332.238 2.804 20 10 EFCDRO CCc1ccc(NC(=O)NCc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001239222772 1313915950 /nfs/dbraw/zinc/91/59/50/1313915950.db2.gz JKAALLAPMYDCHN-UHFFFAOYSA-N 1 0 338.455 2.980 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccccc3O)C2)cc1C ZINC001018537375 1313930184 /nfs/dbraw/zinc/93/01/84/1313930184.db2.gz LTTAHIKGDWLWHS-INIZCTEOSA-N 1 0 340.423 2.714 20 10 EFCDRO S=C(NCc1ccco1)N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001239440746 1313939238 /nfs/dbraw/zinc/93/92/38/1313939238.db2.gz PHLASWKIDBXHAR-UHFFFAOYSA-N 1 0 341.480 2.791 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccc(F)nc3)C2)cc1C ZINC001018636328 1313983570 /nfs/dbraw/zinc/98/35/70/1313983570.db2.gz TUYIXGRGUVLWIW-INIZCTEOSA-N 1 0 343.402 2.542 20 10 EFCDRO COc1cccc(CN2CC[NH+](CCc3ccccc3)CC2)c1O ZINC000122320251 1304491634 /nfs/dbraw/zinc/49/16/34/1304491634.db2.gz FQODJXSJNKGHKA-UHFFFAOYSA-N 1 0 326.440 2.761 20 10 EFCDRO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2ccc3ncnn3c2)n1C ZINC001240355310 1314024185 /nfs/dbraw/zinc/02/41/85/1314024185.db2.gz NYEAXPGXDDOVCT-UHFFFAOYSA-N 1 0 335.367 2.768 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3ccc(C)o3)C2)cc1C ZINC001018733891 1314025775 /nfs/dbraw/zinc/02/57/75/1314025775.db2.gz CRQLWSFUQLGIGB-KRWDZBQOSA-N 1 0 342.439 2.838 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)/C=C/c3ccc[nH]3)C2)cc1C ZINC001018767009 1314038648 /nfs/dbraw/zinc/03/86/48/1314038648.db2.gz JZLMRXKXXIDVPD-IWHGQQBYSA-N 1 0 339.439 2.736 20 10 EFCDRO CCc1[nH]ccc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001018802612 1314053645 /nfs/dbraw/zinc/05/36/45/1314053645.db2.gz CJJARRQALRQBRD-INIZCTEOSA-N 1 0 341.455 2.898 20 10 EFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000123379594 1305661483 /nfs/dbraw/zinc/66/14/83/1305661483.db2.gz IMOLUULSOPZHQD-LJQANCHMSA-N 1 0 337.467 2.858 20 10 EFCDRO CC(C)[NH+]1CCC(CCNC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000870955936 1305708689 /nfs/dbraw/zinc/70/86/89/1305708689.db2.gz DRKAIYIOTNRRHC-XQRVVYSFSA-N 1 0 332.444 2.738 20 10 EFCDRO C[C@@H](NC(=O)c1csc(C2CC[NH2+]CC2)n1)c1ccccc1O ZINC000870988716 1305729340 /nfs/dbraw/zinc/72/93/40/1305729340.db2.gz XRHXFAPFDYNWOW-LLVKDONJSA-N 1 0 331.441 2.807 20 10 EFCDRO CCOc1ccc(C[NH2+]Cc2ccc(C[S@](C)=O)cc2)c(O)c1 ZINC000796525610 1305821034 /nfs/dbraw/zinc/82/10/34/1305821034.db2.gz FCPSBQHYZZWXFR-QHCPKHFHSA-N 1 0 333.453 2.959 20 10 EFCDRO CCOc1cccc(C[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c1O ZINC000796527152 1305961910 /nfs/dbraw/zinc/96/19/10/1305961910.db2.gz WDCGQFXFGJZDKG-HSZRJFAPSA-N 1 0 333.453 2.959 20 10 EFCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c1 ZINC000796527103 1305975729 /nfs/dbraw/zinc/97/57/29/1305975729.db2.gz VJUODZLVVCFSNE-HSZRJFAPSA-N 1 0 333.453 2.959 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[C@@H]3CCOC3)C2)cc1C ZINC000968371625 1306208044 /nfs/dbraw/zinc/20/80/44/1306208044.db2.gz KDUIUTUYIXDRMZ-SJLPKXTDSA-N 1 0 346.471 2.511 20 10 EFCDRO [NH3+]C1CCN(c2cncc(C3=CCN(c4ccccc4)CC3)n2)CC1 ZINC001241346064 1314111926 /nfs/dbraw/zinc/11/19/26/1314111926.db2.gz OCWOGUOBQNZSIF-UHFFFAOYSA-N 1 0 335.455 2.698 20 10 EFCDRO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2cnc3n[nH]cc3c2)n1C ZINC001241422590 1314117656 /nfs/dbraw/zinc/11/76/56/1314117656.db2.gz NFNMLLNWMLANPQ-UHFFFAOYSA-N 1 0 335.367 2.997 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCC3(F)F)C2)cc1C ZINC001019018017 1314133378 /nfs/dbraw/zinc/13/33/78/1314133378.db2.gz WFOXVMLXOSCULD-LSDHHAIUSA-N 1 0 338.398 2.739 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccon3)[C@@H](C)C2)cc1C ZINC001044485499 1306551905 /nfs/dbraw/zinc/55/19/05/1306551905.db2.gz ZYIYYXMHTKBNNN-GOEBONIOSA-N 1 0 343.427 2.775 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968684807 1306566035 /nfs/dbraw/zinc/56/60/35/1306566035.db2.gz ITXZMOMAPMUNFT-XJKSGUPXSA-N 1 0 345.447 2.945 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ncc[nH]3)[C@@H](C)C2)cc1C ZINC001044589986 1306640980 /nfs/dbraw/zinc/64/09/80/1306640980.db2.gz UUFOZXLOBJMYLO-HOCLYGCPSA-N 1 0 342.443 2.510 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cnco3)[C@H](C)C2)cc1C ZINC001044697905 1306727714 /nfs/dbraw/zinc/72/77/14/1306727714.db2.gz OIVZKTRVXVRTGV-ZBFHGGJFSA-N 1 0 343.427 2.775 20 10 EFCDRO CC[C@H](C)C[N@H+](CC)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000748828533 1314144654 /nfs/dbraw/zinc/14/46/54/1314144654.db2.gz NAQMCJRPBJODEX-KRWDZBQOSA-N 1 0 347.503 2.712 20 10 EFCDRO C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(N4CCOCC4)cc3)(C1)CCC2 ZINC001276635391 1314144936 /nfs/dbraw/zinc/14/49/36/1314144936.db2.gz IMAWHUSWYHAFFP-VQTJNVASSA-N 1 0 329.488 2.678 20 10 EFCDRO CC(C)[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC001044879486 1306891376 /nfs/dbraw/zinc/89/13/76/1306891376.db2.gz PKJRFQLUDCBZPB-WFASDCNBSA-N 1 0 331.420 2.840 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cccnc2)cc1C ZINC001044901016 1306910321 /nfs/dbraw/zinc/91/03/21/1306910321.db2.gz RQJXYRNPPPWYPI-SFHVURJKSA-N 1 0 339.439 2.793 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cscn2)cc1C ZINC001044957141 1306955133 /nfs/dbraw/zinc/95/51/33/1306955133.db2.gz IYTQHMVNRXHBDH-HNNXBMFYSA-N 1 0 345.468 2.855 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C[C@H]2CCOC2)cc1C ZINC001044967743 1306961716 /nfs/dbraw/zinc/96/17/16/1306961716.db2.gz PCBUNKLKADVJDO-MSOLQXFVSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CC[C@@H](C)O2)cc1C ZINC001045211227 1307141021 /nfs/dbraw/zinc/14/10/21/1307141021.db2.gz OCWJWFSLSNHXQQ-HHXXYDBFSA-N 1 0 346.471 2.652 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)cc1 ZINC001209516390 1314178858 /nfs/dbraw/zinc/17/88/58/1314178858.db2.gz FKSJIXZMRRXNGG-UXHICEINSA-N 1 0 328.456 2.659 20 10 EFCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(-n3c(C)ccc3C)cc2)CCCO1 ZINC001209520166 1314179421 /nfs/dbraw/zinc/17/94/21/1314179421.db2.gz PFQITIOTLPKIAH-LJQANCHMSA-N 1 0 342.439 2.858 20 10 EFCDRO COc1cc(C(=O)N[C@@H]2CCC[N@H+](CCC(C)(C)C)C2)cc(OC)n1 ZINC001007792023 1307605040 /nfs/dbraw/zinc/60/50/40/1307605040.db2.gz MSVVZVHOKXCXLO-OAHLLOKOSA-N 1 0 349.475 2.729 20 10 EFCDRO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2cncc(CO)c2)n1C ZINC001242970560 1314249999 /nfs/dbraw/zinc/24/99/99/1314249999.db2.gz GYPODAQQAAXAPH-UHFFFAOYSA-N 1 0 325.368 2.613 20 10 EFCDRO CC(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009674485 1308604458 /nfs/dbraw/zinc/60/44/58/1308604458.db2.gz RUSJDKRKNSZVCO-HNNXBMFYSA-N 1 0 331.420 2.699 20 10 EFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)cc2)C1 ZINC000800968043 1308758711 /nfs/dbraw/zinc/75/87/11/1308758711.db2.gz DRZXZSCZTAHEQU-QFHJOOASSA-N 1 0 327.472 2.667 20 10 EFCDRO CC(C)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046862143 1309551410 /nfs/dbraw/zinc/55/14/10/1309551410.db2.gz GMEWPHGQVWMWLC-KRWDZBQOSA-N 1 0 331.420 2.699 20 10 EFCDRO C[C@H](F)CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046869996 1309578790 /nfs/dbraw/zinc/57/87/90/1309578790.db2.gz RWOOEANHSRFNKE-SJCJKPOMSA-N 1 0 349.410 2.791 20 10 EFCDRO CCCCN(CCCC)c1ccc(CN2CCO[C@H](C[NH3+])C2)c(O)c1 ZINC001210398253 1314326401 /nfs/dbraw/zinc/32/64/01/1314326401.db2.gz CNFQWIMBCYQFMS-LJQANCHMSA-N 1 0 349.519 2.958 20 10 EFCDRO CCOC(=O)c1c(CN2CC[NH2+][C@H](C)CC2)c2ccccc2n1C ZINC001210499147 1314343671 /nfs/dbraw/zinc/34/36/71/1314343671.db2.gz SBMLCZRTVCXLBO-CQSZACIVSA-N 1 0 329.444 2.539 20 10 EFCDRO CN(C1=CC[C@H]([NH+]2CCCC2)CC1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001210707439 1314375115 /nfs/dbraw/zinc/37/51/15/1314375115.db2.gz BDEZAZSSECYAFD-SFHVURJKSA-N 1 0 349.500 2.563 20 10 EFCDRO CN(C1=CC[C@@H]([NH+]2CCCC2)CC1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001210707436 1314375204 /nfs/dbraw/zinc/37/52/04/1314375204.db2.gz BDEZAZSSECYAFD-GOSISDBHSA-N 1 0 349.500 2.563 20 10 EFCDRO CCCC[N@@H+](Cc1ccccc1O)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000801594933 1310571512 /nfs/dbraw/zinc/57/15/12/1310571512.db2.gz QCVSKOUSRCYHRH-UHFFFAOYSA-N 1 0 341.415 2.577 20 10 EFCDRO CCCC[N@H+](CC(=O)NCc1ccccn1)Cc1ccccc1O ZINC000801597713 1310577695 /nfs/dbraw/zinc/57/76/95/1310577695.db2.gz MVIXOADYJLQNTR-UHFFFAOYSA-N 1 0 327.428 2.706 20 10 EFCDRO Cc1cc(Br)cc(CN2CC[C@@]23CCC[NH2+]C3)c1O ZINC001222196690 1311097747 /nfs/dbraw/zinc/09/77/47/1311097747.db2.gz BCZOWWTVPJJBRO-OAHLLOKOSA-N 1 0 325.250 2.791 20 10 EFCDRO Clc1cc(N2CCOCC2)ccc1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222252456 1311105283 /nfs/dbraw/zinc/10/52/83/1311105283.db2.gz FANLLIPSZAGNBW-IBGZPJMESA-N 1 0 349.906 2.895 20 10 EFCDRO Oc1c(CN2CCC[C@@]3(CCC[NH2+]3)C2)cc2c3c1CCCN3CCC2 ZINC001222347140 1311117231 /nfs/dbraw/zinc/11/72/31/1311117231.db2.gz XGXWWRGFFNQYQS-NRFANRHFSA-N 1 0 341.499 2.809 20 10 EFCDRO Oc1cccc(Br)c1CN1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222356307 1311119057 /nfs/dbraw/zinc/11/90/57/1311119057.db2.gz YXEQTVLMPDRSRD-HNNXBMFYSA-N 1 0 325.250 2.873 20 10 EFCDRO COC(=O)c1c(CN2CC[C@@]3(C2)CCCC[NH2+]3)c2ccccc2n1C ZINC001222434345 1311130645 /nfs/dbraw/zinc/13/06/45/1311130645.db2.gz HHNMDUGCEWTHQD-HXUWFJFHSA-N 1 0 341.455 2.683 20 10 EFCDRO CCOC(=O)c1c(CN2CC[C@@]3(CCC[NH2+]3)C2)c2ccccc2n1C ZINC001222471674 1311137585 /nfs/dbraw/zinc/13/75/85/1311137585.db2.gz UYGVNLHSNVJGHM-FQEVSTJZSA-N 1 0 341.455 2.683 20 10 EFCDRO Cc1cc(O)c(CN2CC[C@]3(CCC[NH2+]3)C2)cc1Br ZINC001222477116 1311138632 /nfs/dbraw/zinc/13/86/32/1311138632.db2.gz HWXSSOBDBGZMGG-OAHLLOKOSA-N 1 0 325.250 2.791 20 10 EFCDRO Cc1cc(Br)c([O-])c(C[NH+]2CCC(F)(C[NH3+])CC2)c1 ZINC001222548235 1311150984 /nfs/dbraw/zinc/15/09/84/1311150984.db2.gz BYBPTNCSLALRHM-UHFFFAOYSA-N 1 0 331.229 2.726 20 10 EFCDRO CC(C)(C)c1cccc(CN2CC[NH2+]C[C@]3(CCCCN3)C2)c1O ZINC001222680685 1311171948 /nfs/dbraw/zinc/17/19/48/1311171948.db2.gz IFHUZTWNWHDQBB-HXUWFJFHSA-N 1 0 331.504 2.607 20 10 EFCDRO CC(C)(C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001276914148 1311295005 /nfs/dbraw/zinc/29/50/05/1311295005.db2.gz ODWRNMGBGVKBRR-CQSZACIVSA-N 1 0 332.444 2.615 20 10 EFCDRO COc1ccc(N2CCC[C@@]3(CC[N@H+](CCn4ccnc4)C3)C2)cc1 ZINC001276927114 1311312681 /nfs/dbraw/zinc/31/26/81/1311312681.db2.gz LYCHDWBANLOFEU-FQEVSTJZSA-N 1 0 340.471 2.884 20 10 EFCDRO COc1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(=O)[nH]2)cc1 ZINC001276927392 1311313395 /nfs/dbraw/zinc/31/33/95/1311313395.db2.gz QOERBGUBZGLZEV-CALCHBBNSA-N 1 0 325.412 2.649 20 10 EFCDRO COc1ccc(N2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)cc1 ZINC001276928258 1311314436 /nfs/dbraw/zinc/31/44/36/1311314436.db2.gz YUJFSPGKASWFIO-UHFFFAOYSA-N 1 0 340.471 2.884 20 10 EFCDRO Cc1cc(C[NH+]2CCC3(CC[C@H](C(N)=O)C3)CC2)ccc1N(C)C ZINC001276929359 1311316906 /nfs/dbraw/zinc/31/69/06/1311316906.db2.gz UXFDLVSYGMRIDI-KRWDZBQOSA-N 1 0 329.488 2.929 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CCCC34CC4)C2)cc1 ZINC001276958358 1311361779 /nfs/dbraw/zinc/36/17/79/1311361779.db2.gz LRCRACZVMRNBAR-DYESRHJHSA-N 1 0 339.483 2.730 20 10 EFCDRO CN(C)C(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001276958289 1311363586 /nfs/dbraw/zinc/36/35/86/1311363586.db2.gz ISJLJYCRMYLSBX-ICSRJNTNSA-N 1 0 329.488 2.833 20 10 EFCDRO CCN(C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc(N(C)C)cc1)C(C)C ZINC001276958651 1311366820 /nfs/dbraw/zinc/36/68/20/1311366820.db2.gz SKOXMHUVEUICIR-FXAWDEMLSA-N 1 0 329.488 2.974 20 10 EFCDRO Nc1cc[nH+]c(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC001158869797 1311406115 /nfs/dbraw/zinc/40/61/15/1311406115.db2.gz DQEQQKZBRUGLGC-UHFFFAOYSA-N 1 0 338.333 2.889 20 10 EFCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000802169704 1311419943 /nfs/dbraw/zinc/41/99/43/1311419943.db2.gz QGDKSRXEMWFSQM-MRXNPFEDSA-N 1 0 331.460 2.941 20 10 EFCDRO C[C@@H]([NH2+]CC1CC1)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001048067734 1311426699 /nfs/dbraw/zinc/42/66/99/1311426699.db2.gz BKZCTJLAPHPOOW-IUODEOHRSA-N 1 0 343.431 2.699 20 10 EFCDRO COc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2ccc[nH]2)c(OC)c1 ZINC001276993910 1311430026 /nfs/dbraw/zinc/43/00/26/1311430026.db2.gz IIQCKXXFRKXCRQ-IRXDYDNUSA-N 1 0 327.428 2.885 20 10 EFCDRO Oc1ccc(CNc2nc(Cl)cc(C3CC[NH2+]CC3)n2)cc1O ZINC001158994872 1311430793 /nfs/dbraw/zinc/43/07/93/1311430793.db2.gz ZWOSCTPUWRZELP-UHFFFAOYSA-N 1 0 334.807 2.620 20 10 EFCDRO Oc1ccc(CNc2cccc(OCC[NH+]3CCCC3)n2)cc1O ZINC001158997988 1311431826 /nfs/dbraw/zinc/43/18/26/1311431826.db2.gz YCLKSYMYGLBYOK-UHFFFAOYSA-N 1 0 329.400 2.580 20 10 EFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCO[C@@H]2C(C)C)cc1C ZINC001159605978 1311550105 /nfs/dbraw/zinc/55/01/05/1311550105.db2.gz CHNNNBIQEJPUCW-PKOBYXMFSA-N 1 0 348.487 2.661 20 10 EFCDRO Nc1cccc2c1C(=O)c1cccc(NC3=CCC[NH2+]CC3)c1C2=O ZINC001159782469 1311583497 /nfs/dbraw/zinc/58/34/97/1311583497.db2.gz GDVZKJIEUHUMEB-UHFFFAOYSA-N 1 0 333.391 2.723 20 10 EFCDRO Nc1ccc2c(c1NC1=C[C@H]3CC[C@@H](C1)[NH2+]3)C(=O)c1ccccc1C2=O ZINC001159783444 1311583669 /nfs/dbraw/zinc/58/36/69/1311583669.db2.gz RLSSEWDWGZHINB-NEPJUHHUSA-N 1 0 345.402 2.864 20 10 EFCDRO Cc1cc(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)c(O)cc1Br ZINC001277144069 1311701430 /nfs/dbraw/zinc/70/14/30/1311701430.db2.gz MOZSZVLXQGBWRK-SMDDNHRTSA-N 1 0 325.250 2.599 20 10 EFCDRO [NH3+][C@@H](CSc1ccccc1)CC(=O)N1CCc2cccc(O)c2C1 ZINC001160873240 1311799926 /nfs/dbraw/zinc/79/99/26/1311799926.db2.gz WIQRKGUGEDMYBV-OAHLLOKOSA-N 1 0 342.464 2.787 20 10 EFCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C[NH2+]CC1CC1 ZINC001048477466 1311808463 /nfs/dbraw/zinc/80/84/63/1311808463.db2.gz CSGDRHXLBFBDRR-DOMZBBRYSA-N 1 0 343.431 2.557 20 10 EFCDRO CC(C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001048480722 1311812061 /nfs/dbraw/zinc/81/20/61/1311812061.db2.gz VMZVYTJDSVRLPD-GXTWGEPZSA-N 1 0 331.420 2.555 20 10 EFCDRO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cnccc1N ZINC000902518960 1311828125 /nfs/dbraw/zinc/82/81/25/1311828125.db2.gz VGLLOFVQTSTLNN-AUUYWEPGSA-N 1 0 327.476 2.514 20 10 EFCDRO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cnccc1N ZINC000902518966 1311828182 /nfs/dbraw/zinc/82/81/82/1311828182.db2.gz VGLLOFVQTSTLNN-KUHUBIRLSA-N 1 0 327.476 2.514 20 10 EFCDRO CC[C@@H](C)[C@@H](OC)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001161388414 1311875717 /nfs/dbraw/zinc/87/57/17/1311875717.db2.gz QOELRRNDBQJCSG-RDTXWAMCSA-N 1 0 336.476 2.661 20 10 EFCDRO C[NH+]1CCC(Oc2c(O)c(O)ccc2C(=O)c2ccc(O)cc2)CC1 ZINC001228113838 1311901635 /nfs/dbraw/zinc/90/16/35/1311901635.db2.gz FJWBTTIMSXJRNA-UHFFFAOYSA-N 1 0 343.379 2.507 20 10 EFCDRO CN1CCc2ncnc(N(CC[NH3+])c3cccc4ccccc43)c2C1 ZINC001162005370 1312027197 /nfs/dbraw/zinc/02/71/97/1312027197.db2.gz HYRRCLOILHXQTG-UHFFFAOYSA-N 1 0 333.439 2.715 20 10 EFCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CNC(=O)C3)CC2)cc1F ZINC000271153679 1312096104 /nfs/dbraw/zinc/09/61/04/1312096104.db2.gz AIWCEELPGQUNPH-UHFFFAOYSA-N 1 0 333.451 2.774 20 10 EFCDRO COc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)NC(C)(C)C)CC2)c1O ZINC001277452036 1312214381 /nfs/dbraw/zinc/21/43/81/1312214381.db2.gz NQPRDNAHASACFV-HNNXBMFYSA-N 1 0 346.471 2.918 20 10 EFCDRO COc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)NC(C)(C)C)CC2)c1O ZINC001277452037 1312214760 /nfs/dbraw/zinc/21/47/60/1312214760.db2.gz NQPRDNAHASACFV-OAHLLOKOSA-N 1 0 346.471 2.918 20 10 EFCDRO COc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NC(C)(C)C)CC2)c(O)c1 ZINC001277454602 1312230802 /nfs/dbraw/zinc/23/08/02/1312230802.db2.gz WOKSUUMYRAIVBG-INIZCTEOSA-N 1 0 346.471 2.918 20 10 EFCDRO O=C(N1CCCCO1)C12CC([NH2+]Cc3cc(Cl)ccc3O)(C1)C2 ZINC001277458451 1312255772 /nfs/dbraw/zinc/25/57/72/1312255772.db2.gz RLRLTAUJDHIYHH-UHFFFAOYSA-N 1 0 336.819 2.612 20 10 EFCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)[C@H]3CCCO3)CC2)cc1C ZINC001163338569 1312292330 /nfs/dbraw/zinc/29/23/30/1312292330.db2.gz YTSVVYLHKJTWPM-GOSISDBHSA-N 1 0 346.471 2.559 20 10 EFCDRO COc1ccc(O)c(C[NH2+]C23CC(C(=O)N4CCCC45CC5)(C2)C3)c1 ZINC001277462323 1312309435 /nfs/dbraw/zinc/30/94/35/1312309435.db2.gz PJCCEXOYFBUKNB-UHFFFAOYSA-N 1 0 342.439 2.568 20 10 EFCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)C[C@@H](C)OC)CC2)cc1C ZINC001163735847 1312375355 /nfs/dbraw/zinc/37/53/55/1312375355.db2.gz JQENZEOUDMILHS-MRXNPFEDSA-N 1 0 348.487 2.805 20 10 EFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2Cc3ccccc3OCC2=O)c1 ZINC000903181000 1312437241 /nfs/dbraw/zinc/43/72/41/1312437241.db2.gz LYCWDPHWKZRKNS-OAHLLOKOSA-N 1 0 340.423 2.772 20 10 EFCDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000903233513 1312484086 /nfs/dbraw/zinc/48/40/86/1312484086.db2.gz GPZLMOSHMWLWMA-ZDUSSCGKSA-N 1 0 334.441 2.541 20 10 EFCDRO CCC[C@H](OCC)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001164305605 1312489430 /nfs/dbraw/zinc/48/94/30/1312489430.db2.gz BHJXTHNAEBLIJM-SFHVURJKSA-N 1 0 336.476 2.805 20 10 EFCDRO COc1ccc(N2CC[NH+](CCCNc3cccc(N)c3)CC2)cc1 ZINC001164336293 1312494565 /nfs/dbraw/zinc/49/45/65/1312494565.db2.gz WTSOVEHTXLYEFU-UHFFFAOYSA-N 1 0 340.471 2.902 20 10 EFCDRO COc1cc(C[N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c(O)cc1O ZINC001231632999 1312535973 /nfs/dbraw/zinc/53/59/73/1312535973.db2.gz HKFXTQOFRDNLJY-GJZGRUSLSA-N 1 0 325.364 2.518 20 10 EFCDRO COc1cc(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(O)cc1O ZINC001231636077 1312536632 /nfs/dbraw/zinc/53/66/32/1312536632.db2.gz QCZQGBUMPTUQFI-OAHLLOKOSA-N 1 0 342.439 2.813 20 10 EFCDRO COc1cc(CN2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c(O)cc1O ZINC001231636657 1312536965 /nfs/dbraw/zinc/53/69/65/1312536965.db2.gz ZJTHQKHNZRVTTJ-IRXDYDNUSA-N 1 0 340.423 2.565 20 10 EFCDRO CCCc1noc([C@H]2CCC[N@H+](Cc3cc(OC)c(O)cc3O)C2)n1 ZINC001231636989 1312537164 /nfs/dbraw/zinc/53/71/64/1312537164.db2.gz CGQDGPACYKQIEY-LBPRGKRZSA-N 1 0 347.415 2.822 20 10 EFCDRO COc1cc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c(O)cc1O ZINC001231636348 1312537230 /nfs/dbraw/zinc/53/72/30/1312537230.db2.gz SWBHNNDFOWKSTK-HNNXBMFYSA-N 1 0 333.359 2.899 20 10 EFCDRO COc1cc(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)c(O)cc1O ZINC001231639238 1312537583 /nfs/dbraw/zinc/53/75/83/1312537583.db2.gz NMACTJXEYRHFJO-MRXNPFEDSA-N 1 0 329.396 2.550 20 10 EFCDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3cc(C)ccn3)C2)c(O)cc1O ZINC001231640175 1312537724 /nfs/dbraw/zinc/53/77/24/1312537724.db2.gz PVRZQTKKCIZUPZ-OAHLLOKOSA-N 1 0 344.411 2.853 20 10 EFCDRO CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001277551562 1312550372 /nfs/dbraw/zinc/55/03/72/1312550372.db2.gz PFZZSOWZVBIQGJ-JLVBRIDZSA-N 1 0 349.906 2.952 20 10 EFCDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000903300206 1312551131 /nfs/dbraw/zinc/55/11/31/1312551131.db2.gz WKXGBZULZNQXCF-ZLKJLUDKSA-N 1 0 344.249 2.918 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(CCC[C@H]3C(N)=O)C2)c(Cl)c1 ZINC001277552403 1312551860 /nfs/dbraw/zinc/55/18/60/1312551860.db2.gz YSJTUYNPFTUQPP-MAUKXSAKSA-N 1 0 335.879 2.884 20 10 EFCDRO Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CC=CC3)CC2)c(O)c1 ZINC001277568541 1312567830 /nfs/dbraw/zinc/56/78/30/1312567830.db2.gz SBJZRKYYSORWQX-QGZVFWFLSA-N 1 0 326.440 2.701 20 10 EFCDRO Cc1ccc(C[NH+]2CC3(C[C@@H]3C(=O)NC3CCC(F)CC3)C2)c(O)c1 ZINC001277569053 1312567908 /nfs/dbraw/zinc/56/79/08/1312567908.db2.gz UCWRXIRNFZOOBB-OFLPRAFFSA-N 1 0 346.446 2.919 20 10 EFCDRO CCn1cc2c(n1)C[N@@H+](Cc1c(C)cc(C)cc1O)C[C@H]2COC ZINC001231843769 1312572589 /nfs/dbraw/zinc/57/25/89/1312572589.db2.gz GEYJFVLVCHIJJW-HNNXBMFYSA-N 1 0 329.444 2.971 20 10 EFCDRO CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231844839 1312573322 /nfs/dbraw/zinc/57/33/22/1312573322.db2.gz OFFFQJUCDIYURO-INIZCTEOSA-N 1 0 329.444 2.874 20 10 EFCDRO COc1cc(N2CC[NH+](Cc3c(C)cc(C)cc3O)CC2)ccn1 ZINC001231847760 1312573401 /nfs/dbraw/zinc/57/34/01/1312573401.db2.gz CTGAEHRWAQGUGM-UHFFFAOYSA-N 1 0 327.428 2.735 20 10 EFCDRO Cc1cc(C)c(C[NH+]2CCC(NC(=O)c3cccnc3)CC2)c(O)c1 ZINC001231848586 1312573995 /nfs/dbraw/zinc/57/39/95/1312573995.db2.gz JIMAKOCCLGGMQJ-UHFFFAOYSA-N 1 0 339.439 2.798 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](c2noc(C)n2)C1 ZINC001231848088 1312574176 /nfs/dbraw/zinc/57/41/76/1312574176.db2.gz GGXKQYHPHJNMQJ-HNNXBMFYSA-N 1 0 330.432 2.832 20 10 EFCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)c(O)c1 ZINC001231851060 1312574363 /nfs/dbraw/zinc/57/43/63/1312574363.db2.gz YTNDYSINWNJPLE-QGZVFWFLSA-N 1 0 346.471 2.516 20 10 EFCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@H](OCC(=O)NC(C)(C)C)C2)c(O)c1 ZINC001231849147 1312574405 /nfs/dbraw/zinc/57/44/05/1312574405.db2.gz ONPOOXFNYJTSBK-INIZCTEOSA-N 1 0 348.487 2.905 20 10 EFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(Oc2ncccn2)CC1 ZINC001231853706 1312574680 /nfs/dbraw/zinc/57/46/80/1312574680.db2.gz OIXZNNNLIMKVPE-UHFFFAOYSA-N 1 0 342.443 2.595 20 10 EFCDRO CCN1CC[C@@]2(CCC[N@H+](Cc3ccc(N(C)C)cc3OC)C2)C1=O ZINC001231853010 1312574729 /nfs/dbraw/zinc/57/47/29/1312574729.db2.gz QTARXADOXZBPRD-HXUWFJFHSA-N 1 0 345.487 2.596 20 10 EFCDRO CCN1C(=O)CCC12CC[NH+](Cc1ccc(N(C)C)cc1OC)CC2 ZINC001231852420 1312574938 /nfs/dbraw/zinc/57/49/38/1312574938.db2.gz URBHMGXTXNZNFQ-UHFFFAOYSA-N 1 0 345.487 2.738 20 10 EFCDRO CCO[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2OC)[C@@H]2CCCO[C@H]12 ZINC001231852791 1312574968 /nfs/dbraw/zinc/57/49/68/1312574968.db2.gz PXZNXYQNFZSEIX-QRQLOZEOSA-N 1 0 334.460 2.530 20 10 EFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(N(C(C)=O)C(C)C)CC1 ZINC001231854496 1312575077 /nfs/dbraw/zinc/57/50/77/1312575077.db2.gz DXKBIRKITWFUPG-UHFFFAOYSA-N 1 0 347.503 2.983 20 10 EFCDRO CCN1CC2(CC1=O)CC[NH+](Cc1ccc(N(C)C)cc1OC)CC2 ZINC001231854578 1312575255 /nfs/dbraw/zinc/57/52/55/1312575255.db2.gz FTINLFANHQRZNW-UHFFFAOYSA-N 1 0 345.487 2.596 20 10 EFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC001231854146 1312575273 /nfs/dbraw/zinc/57/52/73/1312575273.db2.gz ABURIYATFIFQRM-UHFFFAOYSA-N 1 0 345.487 2.738 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC001231854141 1312575379 /nfs/dbraw/zinc/57/53/79/1312575379.db2.gz AAKXBCGTNVSKKO-UHFFFAOYSA-N 1 0 347.503 2.842 20 10 EFCDRO CCN1CCC2(CC[NH+](Cc3ccc(N(C)C)cc3OC)CC2)C1=O ZINC001231857708 1312575791 /nfs/dbraw/zinc/57/57/91/1312575791.db2.gz NTSXAGXTBSPTMP-UHFFFAOYSA-N 1 0 345.487 2.596 20 10 EFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](Oc2ncccn2)C1 ZINC001231857869 1312575902 /nfs/dbraw/zinc/57/59/02/1312575902.db2.gz OQEAHRZEKGBMAP-KRWDZBQOSA-N 1 0 342.443 2.595 20 10 EFCDRO Cc1cc(O)c(CN2Cc3nccn3C[C@H](C[NH+](C)C)C2)cc1Cl ZINC001231867424 1312578582 /nfs/dbraw/zinc/57/85/82/1312578582.db2.gz MTXKJWYGFQETJE-CQSZACIVSA-N 1 0 348.878 2.744 20 10 EFCDRO Oc1c(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)ccc2ccccc21 ZINC001231878441 1312579490 /nfs/dbraw/zinc/57/94/90/1312579490.db2.gz KHEOZCRGGUCDPF-HDICACEKSA-N 1 0 346.434 2.904 20 10 EFCDRO Oc1c(CN2CCO[C@H](C[NH+]3CCCC3)C2)ccc2ccccc21 ZINC001231883778 1312580454 /nfs/dbraw/zinc/58/04/54/1312580454.db2.gz PCQLVWDXOYACLJ-GOSISDBHSA-N 1 0 326.440 2.842 20 10 EFCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@H]1CC[C@H](O)CC1 ZINC001232195483 1312646735 /nfs/dbraw/zinc/64/67/35/1312646735.db2.gz VKPVPSHYZINCBA-WKILWMFISA-N 1 0 338.879 2.912 20 10 EFCDRO CC[NH+](CC)CCN(C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232196563 1312646753 /nfs/dbraw/zinc/64/67/53/1312646753.db2.gz AZFGGWRKMBZIKD-UHFFFAOYSA-N 1 0 339.911 2.950 20 10 EFCDRO C[NH+](C)C1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232198042 1312647134 /nfs/dbraw/zinc/64/71/34/1312647134.db2.gz FRFDFVJYDMPACH-UHFFFAOYSA-N 1 0 337.895 2.703 20 10 EFCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@H]21 ZINC001232199559 1312647263 /nfs/dbraw/zinc/64/72/63/1312647263.db2.gz CKGWZZJYCICFMF-VQIMIIECSA-N 1 0 349.906 2.703 20 10 EFCDRO C[N@@H+]1C[C@@H]2CCCN(Cc3ccc(N4CCOCC4)c(Cl)c3)[C@@H]2C1 ZINC001232203453 1312648473 /nfs/dbraw/zinc/64/84/73/1312648473.db2.gz WDTGVFLVQKHYST-QFBILLFUSA-N 1 0 349.906 2.703 20 10 EFCDRO O=C1CCC[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@@H]12 ZINC001232204346 1312648925 /nfs/dbraw/zinc/64/89/25/1312648925.db2.gz LIUUDTCMNDVBCW-JKSUJKDBSA-N 1 0 348.874 2.978 20 10 EFCDRO CCN(C(C)=O)C1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232263251 1312661340 /nfs/dbraw/zinc/66/13/40/1312661340.db2.gz LXINORUQHOHZSA-UHFFFAOYSA-N 1 0 326.824 2.584 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)cc1Cl ZINC001232266170 1312661643 /nfs/dbraw/zinc/66/16/43/1312661643.db2.gz JQKZMVHMZGLVQF-ZDUSSCGKSA-N 1 0 339.741 2.801 20 10 EFCDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232267128 1312661651 /nfs/dbraw/zinc/66/16/51/1312661651.db2.gz XJEIILWERXLMNS-GHMZBOCLSA-N 1 0 327.808 2.828 20 10 EFCDRO Cc1cnc(O[C@@H]2CCC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)nc1 ZINC001232265050 1312661664 /nfs/dbraw/zinc/66/16/64/1312661664.db2.gz NVYBGWXVCAGWMY-CYBMUJFWSA-N 1 0 349.818 2.893 20 10 EFCDRO COC(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232267394 1312661788 /nfs/dbraw/zinc/66/17/88/1312661788.db2.gz BDDYCRIENJQWKK-LLVKDONJSA-N 1 0 327.808 2.829 20 10 EFCDRO Cc1ccnc(O[C@@H]2CC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)n1 ZINC001232264605 1312661798 /nfs/dbraw/zinc/66/17/98/1312661798.db2.gz JTOJZDTWRQRWBB-GFCCVEGCSA-N 1 0 335.791 2.503 20 10 EFCDRO COC(=O)C1(C)CC[NH+](Cc2cc(Cl)c(OC)cc2O)CC1 ZINC001232265598 1312662114 /nfs/dbraw/zinc/66/21/14/1312662114.db2.gz YEKBHNNOGJQTQH-UHFFFAOYSA-N 1 0 327.808 2.829 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@]23CC(=O)N(C)C3)cc1Cl ZINC001232265899 1312662257 /nfs/dbraw/zinc/66/22/57/1312662257.db2.gz BVYVLMDRCLLAKG-KRWDZBQOSA-N 1 0 338.835 2.641 20 10 EFCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232267396 1312662998 /nfs/dbraw/zinc/66/29/98/1312662998.db2.gz BDDYCRIENJQWKK-NSHDSACASA-N 1 0 327.808 2.829 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)cc1Cl ZINC001232267817 1312663021 /nfs/dbraw/zinc/66/30/21/1312663021.db2.gz HATARWUDRWSHMT-PHIMTYICSA-N 1 0 333.762 2.768 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](Oc3nccnc3C)C2)cc1Cl ZINC001232270461 1312663601 /nfs/dbraw/zinc/66/36/01/1312663601.db2.gz BVKQDMRYUBPISM-ZDUSSCGKSA-N 1 0 349.818 2.806 20 10 EFCDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232270185 1312663882 /nfs/dbraw/zinc/66/38/82/1312663882.db2.gz XJEIILWERXLMNS-MNOVXSKESA-N 1 0 327.808 2.828 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]([NH2+]C/C=C\Cl)C2)cc1 ZINC001211346400 1314481312 /nfs/dbraw/zinc/48/13/12/1314481312.db2.gz OZPZFXKFVDKKLY-JUHIVRTASA-N 1 0 349.822 2.796 20 10 EFCDRO Fc1cc(C2=CC[C@@H]([NH+]3CCOCC3)CC2)ccc1N1CCOCC1 ZINC001245427455 1314489471 /nfs/dbraw/zinc/48/94/71/1314489471.db2.gz PAOHCMMGCUILSA-GOSISDBHSA-N 1 0 346.446 2.930 20 10 EFCDRO COc1ccc(N2CCN([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)CC2)cc1 ZINC001246521759 1314641221 /nfs/dbraw/zinc/64/12/21/1314641221.db2.gz QREIVDICJNHATB-MJGOQNOKSA-N 1 0 331.504 2.984 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3(C4CC4)CC3)C2)cc1C ZINC001020268562 1314698915 /nfs/dbraw/zinc/69/89/15/1314698915.db2.gz CXWDGPMFNQASPZ-QAQDUYKDSA-N 1 0 328.456 2.931 20 10 EFCDRO COc1ccc(N2CCN([C@@H]3CC[NH2+][C@H](C(C)C)C3)CC2)c(C)c1 ZINC001246935070 1314710825 /nfs/dbraw/zinc/71/08/25/1314710825.db2.gz QGAFGACWKQJRGJ-MJGOQNOKSA-N 1 0 331.504 2.902 20 10 EFCDRO CCOc1ccc(N2CCN([C@H]3CC[NH2+][C@@H](C(C)C)C3)CC2)cc1 ZINC001246948773 1314713054 /nfs/dbraw/zinc/71/30/54/1314713054.db2.gz LQYCXTOPWLQQJO-AZUAARDMSA-N 1 0 331.504 2.984 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[C@@H]3OC)C2)cc1C ZINC001020314467 1314728519 /nfs/dbraw/zinc/72/85/19/1314728519.db2.gz QKPKVBALPOJGHW-MTNOOBJLSA-N 1 0 346.471 2.556 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H](O)c1cccc(F)c1 ZINC000749116143 1314753672 /nfs/dbraw/zinc/75/36/72/1314753672.db2.gz JGILBAURTYZNOS-FOIQADDNSA-N 1 0 344.430 2.874 20 10 EFCDRO CC[NH+](CC)Cc1cc(I)cc(OC)c1O ZINC001248386511 1314930581 /nfs/dbraw/zinc/93/05/81/1314930581.db2.gz MOSBJDDNPLMGGM-UHFFFAOYSA-N 1 0 335.185 2.847 20 10 EFCDRO COc1cc(I)cc(C[N@H+](C)C2CC2)c1O ZINC001248391003 1314931183 /nfs/dbraw/zinc/93/11/83/1314931183.db2.gz KATMFWGVKDBKQE-UHFFFAOYSA-N 1 0 333.169 2.600 20 10 EFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)C2)cc1I ZINC001248462277 1314936563 /nfs/dbraw/zinc/93/65/63/1314936563.db2.gz SNBDGWXQQAMDCB-VIFPVBQESA-N 1 0 347.196 2.847 20 10 EFCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1Cl ZINC001248880535 1314990720 /nfs/dbraw/zinc/99/07/20/1314990720.db2.gz KYDHYHVHPVDAMM-IUODEOHRSA-N 1 0 327.852 2.518 20 10 EFCDRO COC(=O)Cc1ccc(CN2CC[NH+](C3CCCCC3)CC2)c(O)c1 ZINC001249173268 1315029333 /nfs/dbraw/zinc/02/93/33/1315029333.db2.gz SMBJZXOWOBKPTK-UHFFFAOYSA-N 1 0 346.471 2.558 20 10 EFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@]3(N)CCC[NH2+]C3)n2)cc1 ZINC001249226056 1315035592 /nfs/dbraw/zinc/03/55/92/1315035592.db2.gz LBFRQSLGBHJNAD-LJQANCHMSA-N 1 0 337.427 2.682 20 10 EFCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249252868 1315039869 /nfs/dbraw/zinc/03/98/69/1315039869.db2.gz YJZIFAZIOYDTKT-AWEZNQCLSA-N 1 0 331.412 2.961 20 10 EFCDRO CC(=O)N1CC[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C[C@@H]1C ZINC001249258975 1315040974 /nfs/dbraw/zinc/04/09/74/1315040974.db2.gz PCLMHCYLQPMIKV-ZDUSSCGKSA-N 1 0 330.428 2.629 20 10 EFCDRO CC[C@H]([NH2+]CCN1CCCC1=O)c1cc(Br)ccc1O ZINC000405386449 1315052494 /nfs/dbraw/zinc/05/24/94/1315052494.db2.gz AYUKISUAKVQXAS-ZDUSSCGKSA-N 1 0 341.249 2.818 20 10 EFCDRO COc1cccc(-c2noc(C[C@@H]([NH3+])c3ccccc3O)n2)c1OC ZINC001249338805 1315056231 /nfs/dbraw/zinc/05/62/31/1315056231.db2.gz CYZJZFXEPRTNEN-CYBMUJFWSA-N 1 0 341.367 2.702 20 10 EFCDRO COc1c(F)ccc(-c2noc(C[C@@H]([NH3+])c3ccccc3O)n2)c1F ZINC001249338772 1315056301 /nfs/dbraw/zinc/05/63/01/1315056301.db2.gz BHTLFCYPFRPQAU-GFCCVEGCSA-N 1 0 347.321 2.972 20 10 EFCDRO [NH3+][C@H](Cc1nc(-c2ccccc2-n2ccnc2)no1)c1ccccc1O ZINC001249339616 1315056509 /nfs/dbraw/zinc/05/65/09/1315056509.db2.gz NWKIOZTWUFPQCY-OAHLLOKOSA-N 1 0 347.378 2.870 20 10 EFCDRO CC[N@H+](Cc1ccccc1O)Cc1cnc(N)nc1C(F)(F)F ZINC001249395868 1315062134 /nfs/dbraw/zinc/06/21/34/1315062134.db2.gz ZLXMUIXWYYGZRW-UHFFFAOYSA-N 1 0 326.322 2.805 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@H]1CCCC[NH2+]C1 ZINC001217970037 1315126903 /nfs/dbraw/zinc/12/69/03/1315126903.db2.gz BTZVSDSNAAIKMG-LBPRGKRZSA-N 1 0 337.375 2.689 20 10 EFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CC[C@H](C(C)=O)C2)c(O)c1 ZINC001249743324 1315129403 /nfs/dbraw/zinc/12/94/03/1315129403.db2.gz KJMSMNKUGGGACG-HNNXBMFYSA-N 1 0 349.427 2.525 20 10 EFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3CCC[NH2+]CC3)cccc21 ZINC001217995111 1315130160 /nfs/dbraw/zinc/13/01/60/1315130160.db2.gz LEZJSQDAPAVKLG-GFCCVEGCSA-N 1 0 337.375 2.689 20 10 EFCDRO Cc1c(O)cc2c(c1O[C@H]1C[NH2+][C@H](C)C1)C(=O)c1ccccc1C2=O ZINC001218039624 1315137431 /nfs/dbraw/zinc/13/74/31/1315137431.db2.gz QDVUNWNWJAQQMB-ZYHUDNBSSA-N 1 0 337.375 2.605 20 10 EFCDRO Cc1cc(OC2CC3(C[NH2+]C3)C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218055551 1315140348 /nfs/dbraw/zinc/14/03/48/1315140348.db2.gz GQTVKRUBROGSMB-UHFFFAOYSA-N 1 0 349.386 2.607 20 10 EFCDRO O=C1c2cccc(O)c2C(=O)c2c(OC3CC4(C3)CC[NH2+]C4)cccc21 ZINC001218062063 1315140838 /nfs/dbraw/zinc/14/08/38/1315140838.db2.gz JWIBYKFGDRIUGF-UHFFFAOYSA-N 1 0 349.386 2.689 20 10 EFCDRO C[C@@H]1C[C@H](Oc2cccc3c2C(=O)c2cccc(O)c2C3=O)CC[NH2+]1 ZINC001218062388 1315141034 /nfs/dbraw/zinc/14/10/34/1315141034.db2.gz SWFMDSJCPFPJFQ-VXGBXAGGSA-N 1 0 337.375 2.687 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(OC3CC4(C3)CC[NH2+]C4)ccc21 ZINC001218064501 1315141405 /nfs/dbraw/zinc/14/14/05/1315141405.db2.gz ZHELFIFVKUWTIR-UHFFFAOYSA-N 1 0 333.387 2.983 20 10 EFCDRO COc1ccc(O)c(Nc2cc[nH+]cc2CNC(=O)OC(C)(C)C)c1 ZINC001249820362 1315142108 /nfs/dbraw/zinc/14/21/08/1315142108.db2.gz CVGQKRDYBGBHEO-UHFFFAOYSA-N 1 0 345.399 2.986 20 10 EFCDRO Cc1c(O)cc2c(c1O[C@@H]1C[C@H]3C[C@@H]1C[NH2+]3)C(=O)c1ccccc1C2=O ZINC001218111570 1315150015 /nfs/dbraw/zinc/15/00/15/1315150015.db2.gz WISADOMILQFDIU-PSTGCABASA-N 1 0 349.386 2.605 20 10 EFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3CC[C@]34CC[NH2+]C4)ccc21 ZINC001218120869 1315151930 /nfs/dbraw/zinc/15/19/30/1315151930.db2.gz USRQIARTKHSGRV-WIYYLYMNSA-N 1 0 333.387 2.983 20 10 EFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3C[C@H]4C[NH2+]C[C@H]4C3)cccc21 ZINC001218134498 1315154006 /nfs/dbraw/zinc/15/40/06/1315154006.db2.gz KSONWDKOJKMDQJ-BTTYYORXSA-N 1 0 333.387 2.839 20 10 EFCDRO O=C1c2cccc(O[C@@H]3CCC4(C[NH2+]C4)C3)c2C(=O)c2cccc(O)c21 ZINC001218238267 1315168852 /nfs/dbraw/zinc/16/88/52/1315168852.db2.gz PDTRCYGJWPUXFN-GFCCVEGCSA-N 1 0 349.386 2.689 20 10 EFCDRO Cc1cc(O[C@@H]2CCC23C[NH2+]C3)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218242141 1315169589 /nfs/dbraw/zinc/16/95/89/1315169589.db2.gz NVOKLGHBEIRONK-MRXNPFEDSA-N 1 0 349.386 2.607 20 10 EFCDRO Cc1cc(O[C@H]2CCC[NH2+]C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218283089 1315174490 /nfs/dbraw/zinc/17/44/90/1315174490.db2.gz DYULDXIESKJAIT-LBPRGKRZSA-N 1 0 337.375 2.607 20 10 EFCDRO CC(=O)NC1CC[NH+](Cc2cc(C)c(Br)cc2O)CC1 ZINC001250121023 1315175453 /nfs/dbraw/zinc/17/54/53/1315175453.db2.gz YZIUOWVWADJEKG-UHFFFAOYSA-N 1 0 341.249 2.564 20 10 EFCDRO CC(C)Oc1ccc(COc2ccc(N3CC[NH2+]CC3)cc2)cn1 ZINC001218297449 1315175740 /nfs/dbraw/zinc/17/57/40/1315175740.db2.gz ZRHDYIVRQFPBBG-UHFFFAOYSA-N 1 0 327.428 2.857 20 10 EFCDRO Cc1cc(C[NH+]2CCC(C)(C(N)=O)CC2)c(O)cc1Br ZINC001250129077 1315176812 /nfs/dbraw/zinc/17/68/12/1315176812.db2.gz WKXKVNCDDMJUOQ-UHFFFAOYSA-N 1 0 341.249 2.551 20 10 EFCDRO CC(=O)N1CCN(Cc2cc(C)c(Br)cc2O)C[C@@H]1C ZINC001250133998 1315177119 /nfs/dbraw/zinc/17/71/19/1315177119.db2.gz UPJJNYYSTIDTTQ-NSHDSACASA-N 1 0 341.249 2.516 20 10 EFCDRO Cc1cc(CN2CC[N@@H+](C)C(C)(C)C2)c(O)cc1Br ZINC001250133180 1315177163 /nfs/dbraw/zinc/17/71/63/1315177163.db2.gz JNTHOTOTUVCUBH-UHFFFAOYSA-N 1 0 327.266 2.989 20 10 EFCDRO CCN(Cc1cc(C)c(Br)cc1O)[C@@H](C)C(=O)OC ZINC001250136266 1315178011 /nfs/dbraw/zinc/17/80/11/1315178011.db2.gz PIFNQRVKDRMZOL-JTQLQIEISA-N 1 0 330.222 2.847 20 10 EFCDRO COc1cccc(OC[C@@H](C)Oc2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC001218356669 1315183819 /nfs/dbraw/zinc/18/38/19/1315183819.db2.gz RCKNJJFODHPEIC-MRXNPFEDSA-N 1 0 342.439 2.951 20 10 EFCDRO C[C@@H]1CC[C@@H](Oc2cccc3c2C(=O)c2c(O)cccc2C3=O)C[NH2+]1 ZINC001218392729 1315188470 /nfs/dbraw/zinc/18/84/70/1315188470.db2.gz LEZVFOPTUCNWSK-VXGBXAGGSA-N 1 0 337.375 2.687 20 10 EFCDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1c(O)ccc2c1C(=O)c1ccccc1C2=O ZINC001218421375 1315193511 /nfs/dbraw/zinc/19/35/11/1315193511.db2.gz WBQBNJIFQIOWTP-BDJLRTHQSA-N 1 0 337.375 2.544 20 10 EFCDRO CC(C)Oc1cncc(COc2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC001218435804 1315195785 /nfs/dbraw/zinc/19/57/85/1315195785.db2.gz FHRPECIPNBCPAQ-UHFFFAOYSA-N 1 0 327.428 2.857 20 10 EFCDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1cccc2c1C(=O)c1cccc(O)c1C2=O ZINC001218482373 1315203374 /nfs/dbraw/zinc/20/33/74/1315203374.db2.gz HVBVLUUFJBBIBR-BZNIZROVSA-N 1 0 337.375 2.544 20 10 EFCDRO C[C@@H]1CC[NH2+][C@@H](C(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)C1 ZINC001218582198 1315217808 /nfs/dbraw/zinc/21/78/08/1315217808.db2.gz VMBKTYCZAZZGAW-DUDAPLGKSA-N 1 0 338.415 2.993 20 10 EFCDRO N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@@H]([NH3+])CC(F)F ZINC001218581908 1315218037 /nfs/dbraw/zinc/21/80/37/1315218037.db2.gz QARTUCQFTIHFNS-OHJIGOCISA-N 1 0 334.330 2.588 20 10 EFCDRO Nc1ccc(CC(=O)n2cc(N)c(=[NH2+])c(-c3cccc(F)c3)c2)cc1 ZINC001218709460 1315233749 /nfs/dbraw/zinc/23/37/49/1315233749.db2.gz LNBKFPIWNUXTFR-UHFFFAOYSA-N 1 0 336.370 2.821 20 10 EFCDRO Oc1cccc2c1C[N@H+](C[C@H](O)COc1ccc(Cl)cc1)CC2 ZINC001250672242 1315240068 /nfs/dbraw/zinc/24/00/68/1315240068.db2.gz UMXTTZMEVSIJOE-HNNXBMFYSA-N 1 0 333.815 2.844 20 10 EFCDRO CN(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)cc1 ZINC001219027838 1315274402 /nfs/dbraw/zinc/27/44/02/1315274402.db2.gz DZFJBNBYOONNQF-BJMVGYQFSA-N 1 0 337.423 2.887 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccc(F)cc2F)cc1C ZINC001250884912 1315288112 /nfs/dbraw/zinc/28/81/12/1315288112.db2.gz GYIKIRPNNAVNCI-OAHLLOKOSA-N 1 0 337.366 2.811 20 10 EFCDRO CCc1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)c(O)c1 ZINC001276805000 1315316481 /nfs/dbraw/zinc/31/64/81/1315316481.db2.gz OXFWNNZVFFGSPS-DOTOQJQBSA-N 1 0 331.460 2.579 20 10 EFCDRO CC(C)NC(=O)N1CCC12C[NH+](Cc1cc3ccccc3cc1O)C2 ZINC001276812012 1315393295 /nfs/dbraw/zinc/39/32/95/1315393295.db2.gz CTYYHBQURCLKQB-UHFFFAOYSA-N 1 0 339.439 2.924 20 10 EFCDRO CCOc1ccc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC001251993154 1315401000 /nfs/dbraw/zinc/40/10/00/1315401000.db2.gz KBXKZSDNBFUKLF-FQEVSTJZSA-N 1 0 326.440 2.941 20 10 EFCDRO Oc1ccc(C[NH2+]C[C@@H](O)COc2cccc3ccccc32)cc1O ZINC001252397870 1315446553 /nfs/dbraw/zinc/44/65/53/1315446553.db2.gz CMAOJIVJECRXHJ-MRXNPFEDSA-N 1 0 339.391 2.781 20 10 EFCDRO Cc1cc(C)c(CNC(=O)[C@H]2CC[C@H](C(F)(F)F)C[NH2+]2)c(O)c1 ZINC001220826032 1315454146 /nfs/dbraw/zinc/45/41/46/1315454146.db2.gz YIHJZYLJDWXCNO-WCQYABFASA-N 1 0 330.350 2.556 20 10 EFCDRO Cc1cc(C)c(CNC(=O)[C@H]2[NH2+]CCC[C@H]2C(F)(F)F)c(O)c1 ZINC001220825470 1315454523 /nfs/dbraw/zinc/45/45/23/1315454523.db2.gz ITOMVCPXNIVLKN-OCCSQVGLSA-N 1 0 330.350 2.556 20 10 EFCDRO CN(C)c1ccc(-c2nc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cs2)cc1 ZINC001220859572 1315457466 /nfs/dbraw/zinc/45/74/66/1315457466.db2.gz DNVIHUVQNJYWKR-HNNXBMFYSA-N 1 0 346.500 2.979 20 10 EFCDRO Oc1cc2ccccc2cc1C[NH2+]C[C@H](O)COCc1ccco1 ZINC001252660484 1315483538 /nfs/dbraw/zinc/48/35/38/1315483538.db2.gz VFPNXBUHZIWVNX-KRWDZBQOSA-N 1 0 327.380 2.806 20 10 EFCDRO CN(C)c1ccc(/C=C/C(=O)NC[C@]2(CC3CC3)CCC[NH2+]2)cc1 ZINC001221248095 1315497004 /nfs/dbraw/zinc/49/70/04/1315497004.db2.gz JKGGPTVPGFTZSN-OJLWIZQOSA-N 1 0 327.472 2.804 20 10 EFCDRO CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(O)c(O)c2)cc1 ZINC001252764778 1315503055 /nfs/dbraw/zinc/50/30/55/1315503055.db2.gz FMQIVPWWNKONPT-MRXNPFEDSA-N 1 0 345.439 2.925 20 10 EFCDRO CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]Cc2cccc(O)c2O)cc1 ZINC001252769108 1315504601 /nfs/dbraw/zinc/50/46/01/1315504601.db2.gz LTAJHXGSYXFKJA-INIZCTEOSA-N 1 0 345.439 2.925 20 10 EFCDRO CCOCc1cc(C[NH2+]Cc2c(C)c(C)n[nH]c2=O)ccc1OC ZINC001318433418 1328588907 /nfs/dbraw/zinc/58/89/07/1328588907.db2.gz NEXRFTQRNORCNC-UHFFFAOYSA-N 1 0 331.416 2.634 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3ccc[nH]3)C[C@H]2C)cc1C ZINC001054379317 1315546874 /nfs/dbraw/zinc/54/68/74/1315546874.db2.gz HSJIHQXMDOYXER-PBHICJAKSA-N 1 0 327.428 2.582 20 10 EFCDRO CCCC[C@H](CC)COC[C@@H](O)C[NH2+]Cc1cccc(O)c1O ZINC001253025538 1315556363 /nfs/dbraw/zinc/55/63/63/1315556363.db2.gz MRSDVLCAVRKDIE-HOCLYGCPSA-N 1 0 325.449 2.781 20 10 EFCDRO CC[N@H+](Cc1ccccc1O)C[C@](C)(O)C(=O)OCc1ccccc1 ZINC001253637302 1315620746 /nfs/dbraw/zinc/62/07/46/1315620746.db2.gz ZTQOWWCWIAZWCJ-FQEVSTJZSA-N 1 0 343.423 2.709 20 10 EFCDRO CCOc1ccc(N2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC001253853006 1315648488 /nfs/dbraw/zinc/64/84/88/1315648488.db2.gz JKLFUYANQAEILY-IAGOWNOFSA-N 1 0 345.487 2.607 20 10 EFCDRO c1cn(CC2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)nn1 ZINC001254039994 1315668633 /nfs/dbraw/zinc/66/86/33/1315668633.db2.gz LHBAFDBWWNMHAT-UHFFFAOYSA-N 1 0 325.460 2.791 20 10 EFCDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CC1=O ZINC001254234210 1315685296 /nfs/dbraw/zinc/68/52/96/1315685296.db2.gz WUBMAWUXPRQUBO-HNNXBMFYSA-N 1 0 346.427 2.637 20 10 EFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C(=O)C2)cc1 ZINC001254235596 1315685716 /nfs/dbraw/zinc/68/57/16/1315685716.db2.gz AEFVMRFUIVUNEN-HNNXBMFYSA-N 1 0 347.459 2.768 20 10 EFCDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1)c1ccccc1O ZINC001254234846 1315685974 /nfs/dbraw/zinc/68/59/74/1315685974.db2.gz MKVYBABETQLMNI-QWHCGFSZSA-N 1 0 334.416 2.969 20 10 EFCDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCCc3cc(O)c(O)cc3C1)C2 ZINC001254605514 1315730171 /nfs/dbraw/zinc/73/01/71/1315730171.db2.gz AXKGNPZQRWRULK-QGZVFWFLSA-N 1 0 340.379 2.922 20 10 EFCDRO O=C1C[C@H]2C[C@H]([NH2+]C3CCN(Cc4ccccc4O)CC3)C[C@H]2C1 ZINC001254933905 1315760658 /nfs/dbraw/zinc/76/06/58/1315760658.db2.gz HCZNBKBPLVTKBM-VQFNDLOPSA-N 1 0 328.456 2.704 20 10 EFCDRO COc1ccc(N2CC[NH+](C3C[C@@H]4CC(=O)C[C@H]4C3)CC2)c(OC)c1 ZINC001254963639 1315766049 /nfs/dbraw/zinc/76/60/49/1315766049.db2.gz KUGUUXDZDJYPHM-HUUCEWRRSA-N 1 0 344.455 2.584 20 10 EFCDRO CC[C@@H]([NH2+]CCN1C(=O)COc2ccccc21)c1ccccc1O ZINC001255156269 1315784073 /nfs/dbraw/zinc/78/40/73/1315784073.db2.gz JERCNHKMXLSUSB-OAHLLOKOSA-N 1 0 326.396 2.859 20 10 EFCDRO CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039475879 1315819220 /nfs/dbraw/zinc/81/92/20/1315819220.db2.gz NRVODISEBMVPIP-CVEARBPZSA-N 1 0 343.431 2.938 20 10 EFCDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(N2CCCC2)cc1 ZINC001255473843 1315827772 /nfs/dbraw/zinc/82/77/72/1315827772.db2.gz KDBKFWDKFYYALS-QGZVFWFLSA-N 1 0 331.504 2.564 20 10 EFCDRO COC[C@H](C)[N@@H+]1CCC[C@]2(C1)COCCN(c1ccc(OC)cc1)C2 ZINC001255570167 1315841621 /nfs/dbraw/zinc/84/16/21/1315841621.db2.gz HZJJBGSRKHYDFD-FXAWDEMLSA-N 1 0 348.487 2.649 20 10 EFCDRO CCOc1ccc(N2CC[NH+](C3CCC4(CC3)OCCO4)CC2)cc1 ZINC001255628973 1315849876 /nfs/dbraw/zinc/84/98/76/1315849876.db2.gz AGFCQOHTEAKDMH-UHFFFAOYSA-N 1 0 346.471 2.893 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CC3(C)CC3)CCO2)cc1C ZINC001051716272 1315883125 /nfs/dbraw/zinc/88/31/25/1315883125.db2.gz HHRBWRMZSPRAAD-QGZVFWFLSA-N 1 0 346.471 2.511 20 10 EFCDRO CC[NH+](CC)CC[C@@H](C)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001255973351 1315888000 /nfs/dbraw/zinc/88/80/00/1315888000.db2.gz YXTTXMRVGDHRAC-QGZVFWFLSA-N 1 0 349.519 2.946 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)C(F)(F)F)CC2)cc1C ZINC001255976909 1315888442 /nfs/dbraw/zinc/88/84/42/1315888442.db2.gz JAZYTANWUQSOSM-UHFFFAOYSA-N 1 0 330.350 2.647 20 10 EFCDRO CCOc1ccc(N2CCN(C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001256081506 1315903360 /nfs/dbraw/zinc/90/33/60/1315903360.db2.gz HQIPYVBXLYZEDO-UHFFFAOYSA-N 1 0 329.488 2.834 20 10 EFCDRO CSC1(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCC1 ZINC001256204943 1315917288 /nfs/dbraw/zinc/91/72/88/1315917288.db2.gz IUIQTLQYXZWJRJ-UHFFFAOYSA-N 1 0 337.508 2.953 20 10 EFCDRO C[NH+]1CCC(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC001256214286 1315919412 /nfs/dbraw/zinc/91/94/12/1315919412.db2.gz HFHLYSOJZFFNAF-UHFFFAOYSA-N 1 0 343.393 2.801 20 10 EFCDRO COc1cccc2c1CC[C@@H]([NH2+]CCc1cc(O)c(O)cc1O)C2 ZINC001256634170 1315973349 /nfs/dbraw/zinc/97/33/49/1315973349.db2.gz MBSNQUZOYWCUAE-CQSZACIVSA-N 1 0 329.396 2.502 20 10 EFCDRO C[C@H](Cc1ccncc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001256743157 1315988239 /nfs/dbraw/zinc/98/82/39/1315988239.db2.gz QQACIAWVGXRPDI-QGZVFWFLSA-N 1 0 325.456 2.981 20 10 EFCDRO Oc1ccc([C@H](O)C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)cc1O ZINC001256782857 1315990767 /nfs/dbraw/zinc/99/07/67/1315990767.db2.gz SDTRTCHJRNFKAY-KFKAGJAMSA-N 1 0 329.396 2.641 20 10 EFCDRO Oc1ccc([C@H](O)C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)cc1O ZINC001256782856 1315990963 /nfs/dbraw/zinc/99/09/63/1315990963.db2.gz SDTRTCHJRNFKAY-IPELMVKDSA-N 1 0 329.396 2.641 20 10 EFCDRO Oc1ccc([C@@H](O)C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)cc1O ZINC001256787587 1315991269 /nfs/dbraw/zinc/99/12/69/1315991269.db2.gz SDTRTCHJRNFKAY-SNRMKQJTSA-N 1 0 329.396 2.641 20 10 EFCDRO Oc1ccc([C@@H](O)C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)cc1O ZINC001256787585 1315991541 /nfs/dbraw/zinc/99/15/41/1315991541.db2.gz SDTRTCHJRNFKAY-MNEFBYGVSA-N 1 0 329.396 2.641 20 10 EFCDRO Oc1cc(O)c(CC[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)cc1O ZINC001256790429 1315991889 /nfs/dbraw/zinc/99/18/89/1315991889.db2.gz SBVYIIAJNJGFAM-HNAYVOBHSA-N 1 0 329.396 2.856 20 10 EFCDRO Oc1cc(O)c(CC[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)cc1O ZINC001256790427 1315992090 /nfs/dbraw/zinc/99/20/90/1315992090.db2.gz SBVYIIAJNJGFAM-BEFAXECRSA-N 1 0 329.396 2.856 20 10 EFCDRO CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001257047474 1316025402 /nfs/dbraw/zinc/02/54/02/1316025402.db2.gz NJCSQINOYYLOII-DOTOQJQBSA-N 1 0 332.444 2.549 20 10 EFCDRO CCOC(=O)[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001257062228 1316027616 /nfs/dbraw/zinc/02/76/16/1316027616.db2.gz KWKTVEGIMKMVGJ-PKOBYXMFSA-N 1 0 346.471 2.687 20 10 EFCDRO CCOC(=O)[C@H]1CC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001257062223 1316027888 /nfs/dbraw/zinc/02/78/88/1316027888.db2.gz KWKTVEGIMKMVGJ-HKUYNNGSSA-N 1 0 346.471 2.687 20 10 EFCDRO Oc1cccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)c1O ZINC001258136538 1316123672 /nfs/dbraw/zinc/12/36/72/1316123672.db2.gz OAULAERRMVYTCE-UHFFFAOYSA-N 1 0 326.440 2.895 20 10 EFCDRO COCCOc1ccc(N2CC[NH+]([C@@H](C)CCSC)CC2)cc1 ZINC001258223804 1316133725 /nfs/dbraw/zinc/13/37/25/1316133725.db2.gz FOFHLFXCTUWOPK-INIZCTEOSA-N 1 0 338.517 2.975 20 10 EFCDRO COc1ccc(CC[C@H](C)[NH2+]C[C@H](O)c2ccc(O)c(O)c2)cc1 ZINC001258389268 1316147390 /nfs/dbraw/zinc/14/73/90/1316147390.db2.gz RMBBIRDQWPYBEV-DJJJIMSYSA-N 1 0 331.412 2.751 20 10 EFCDRO COc1cc(C[C@H](C)[NH2+]Cc2ccc(O)cc2O)cc(OC)c1OC ZINC001258856350 1316185534 /nfs/dbraw/zinc/18/55/34/1316185534.db2.gz HJLPFMXASWHHFX-LBPRGKRZSA-N 1 0 347.411 2.844 20 10 EFCDRO CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001040545373 1316317055 /nfs/dbraw/zinc/31/70/55/1316317055.db2.gz OJOPYRSOKKOSHX-GOSISDBHSA-N 1 0 343.431 2.797 20 10 EFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cccnc2N(C)C)N(C)C)cc1 ZINC001262379046 1316465236 /nfs/dbraw/zinc/46/52/36/1316465236.db2.gz QOXXKOFBQILXFE-IBGZPJMESA-N 1 0 341.503 2.606 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+]CC3(O)CCCCCC3)cc2F)CC1 ZINC001318669046 1328665415 /nfs/dbraw/zinc/66/54/15/1328665415.db2.gz ZOBPVZJNGKPUBJ-UHFFFAOYSA-N 1 0 349.494 2.752 20 10 EFCDRO Oc1c(C[NH+]2CC3(C2)CCN(Cc2cn[nH]c2)C3)ccc2ccccc21 ZINC001279436906 1317263677 /nfs/dbraw/zinc/26/36/77/1317263677.db2.gz CWOJLGSVRLZIBV-UHFFFAOYSA-N 1 0 348.450 2.976 20 10 EFCDRO Cc1c(C[N@@H+]2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)c2ccccc2n1C ZINC001279541706 1317289783 /nfs/dbraw/zinc/28/97/83/1317289783.db2.gz RMCYXWQLSSUWJQ-LAUBAEHRSA-N 1 0 349.482 2.916 20 10 EFCDRO Oc1cc2ccccc2cc1C[NH+]1CC2(CN(CCn3ccnc3)C2)C1 ZINC001279667125 1317353163 /nfs/dbraw/zinc/35/31/63/1317353163.db2.gz PMMAZGCPYGRKDG-UHFFFAOYSA-N 1 0 348.450 2.560 20 10 EFCDRO O=C(Nc1cccc2nccn21)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC001279968942 1317426321 /nfs/dbraw/zinc/42/63/21/1317426321.db2.gz RJNZNSQBHZHESI-FOIQADDNSA-N 1 0 348.406 2.501 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[NH2+]C(C)(C)C ZINC001319253856 1328821910 /nfs/dbraw/zinc/82/19/10/1328821910.db2.gz DGXBSTIWTQIYGT-UHFFFAOYSA-N 1 0 343.265 2.891 20 10 EFCDRO [NH3+][C@H](CC(=O)NCc1ccc(N2CCCC2)cc1)Cc1ccccc1 ZINC000827005117 1321879029 /nfs/dbraw/zinc/87/90/29/1321879029.db2.gz PKEPQACRPGBEOT-IBGZPJMESA-N 1 0 337.467 2.863 20 10 EFCDRO CN1CCN(c2ccc(C[N@H+](C)CCC(F)(F)F)cc2F)CC1 ZINC001319947340 1329041727 /nfs/dbraw/zinc/04/17/27/1329041727.db2.gz JNWITXSUNKCIAD-UHFFFAOYSA-N 1 0 333.373 2.962 20 10 EFCDRO O=[N+]([O-])c1cc(C[NH2+]CCN2CCCC2)ccc1N1CCCCC1 ZINC000743767352 1323097891 /nfs/dbraw/zinc/09/78/91/1323097891.db2.gz GPHFPLRCUUATOW-UHFFFAOYSA-N 1 0 332.448 2.771 20 10 EFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCN(c2cnn(C)c2)C1 ZINC001320125356 1329090216 /nfs/dbraw/zinc/09/02/16/1329090216.db2.gz RNQJDPUIXWDVJK-YCPHGPKFSA-N 1 0 326.444 2.851 20 10 EFCDRO C[C@H]([NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)C(=O)NCC(F)(F)F ZINC001320130178 1329092461 /nfs/dbraw/zinc/09/24/61/1329092461.db2.gz JLPDVUPPZPHTFP-NRPADANISA-N 1 0 334.313 2.736 20 10 EFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC001320133061 1329093993 /nfs/dbraw/zinc/09/39/93/1329093993.db2.gz NBOOAYSCOXJRKI-KFWWJZLASA-N 1 0 333.428 2.761 20 10 EFCDRO CC(C)CNC(=O)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC001320133139 1329094144 /nfs/dbraw/zinc/09/41/44/1329094144.db2.gz OMXDDKDAJXRAJR-SNVBAGLBSA-N 1 0 329.238 2.578 20 10 EFCDRO C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C)c1ccc(N(C)C)cc1 ZINC001320381068 1329120223 /nfs/dbraw/zinc/12/02/23/1329120223.db2.gz UPJNIZDBEJMCAI-QGTPRVQTSA-N 1 0 332.492 2.986 20 10 EFCDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc(N3CCCC3)cc2)C1(C)C ZINC001320517532 1329151153 /nfs/dbraw/zinc/15/11/53/1329151153.db2.gz CUUGRAQGDNNQBB-AZUAARDMSA-N 1 0 332.488 2.943 20 10 EFCDRO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001320521956 1329151479 /nfs/dbraw/zinc/15/14/79/1329151479.db2.gz FPGQOOIXULWDLR-GOSISDBHSA-N 1 0 349.494 2.824 20 10 EFCDRO C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000753765242 1324795289 /nfs/dbraw/zinc/79/52/89/1324795289.db2.gz XWKSVGVBHOWCFB-IFMYKAFSSA-N 1 0 344.908 2.594 20 10 EFCDRO CC[C@H]([NH2+]CCN1CCC(CO)CC1)c1cc(Cl)ccc1O ZINC001321386796 1329381106 /nfs/dbraw/zinc/38/11/06/1329381106.db2.gz LMYXYUHJPYEASE-INIZCTEOSA-N 1 0 326.868 2.791 20 10 EFCDRO c1cc(N2CCCC2)ccc1CN1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC001323285810 1329531064 /nfs/dbraw/zinc/53/10/64/1329531064.db2.gz LBJMXHWMMFMUQQ-OAQYLSRUSA-N 1 0 343.515 2.974 20 10 EFCDRO CCOCC(C)(C)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323455612 1329544522 /nfs/dbraw/zinc/54/45/22/1329544522.db2.gz UAVHCQQPBMORBV-UHFFFAOYSA-N 1 0 337.483 2.730 20 10 EFCDRO COC(=O)N1CCC(C[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001323747842 1329567855 /nfs/dbraw/zinc/56/78/55/1329567855.db2.gz KMEZKRKPWIDFHJ-UHFFFAOYSA-N 1 0 331.460 2.855 20 10 EFCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c(O)c1 ZINC001323888603 1329583009 /nfs/dbraw/zinc/58/30/09/1329583009.db2.gz BVLOSXSMNRYSAR-OAHLLOKOSA-N 1 0 329.444 2.979 20 10 EFCDRO CS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC001324459190 1329629669 /nfs/dbraw/zinc/62/96/69/1329629669.db2.gz QMZJPMUTSCHELW-UHFFFAOYSA-N 1 0 344.480 2.980 20 10 EFCDRO O=C1CC[C@@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)CCN1 ZINC001324722837 1329653826 /nfs/dbraw/zinc/65/38/26/1329653826.db2.gz ZEBMCFQRIBPWQJ-OAHLLOKOSA-N 1 0 328.412 2.904 20 10 EFCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](CO)CC2CCOCC2)c1O ZINC001324758955 1329656491 /nfs/dbraw/zinc/65/64/91/1329656491.db2.gz NWHXXBNXPFIIBE-ZDUSSCGKSA-N 1 0 343.851 2.569 20 10 EFCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)CC(C)C ZINC001326138342 1329734584 /nfs/dbraw/zinc/73/45/84/1329734584.db2.gz NWJMDAWJJYZSBE-KRWDZBQOSA-N 1 0 337.483 2.728 20 10 EFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]([NH3+])C3CCCCC3)C2)cc1 ZINC001326315728 1329746561 /nfs/dbraw/zinc/74/65/61/1329746561.db2.gz BNDBGCOSJHGTFR-BEFAXECRSA-N 1 0 345.487 2.545 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1F ZINC001326787416 1330364600 /nfs/dbraw/zinc/36/46/00/1330364600.db2.gz NOMVSRFQOWPHHZ-UHFFFAOYSA-N 1 0 333.451 2.917 20 10 EFCDRO C[NH+]1CCN(c2ccc(CNc3ccc4c(c3)C(=O)OC4)cc2)CC1 ZINC001327435459 1330477913 /nfs/dbraw/zinc/47/79/13/1330477913.db2.gz IFGARWASQDOFGI-UHFFFAOYSA-N 1 0 337.423 2.721 20 10 EFCDRO Cc1ccc(O)c(CNC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001328763502 1330627751 /nfs/dbraw/zinc/62/77/51/1330627751.db2.gz AWQHKRBSRRLMNL-HZPDHXFCSA-N 1 0 333.476 2.868 20 10 EFCDRO COCn1ncc(C)c1C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001328762264 1330627954 /nfs/dbraw/zinc/62/79/54/1330627954.db2.gz ZIUFKKMHXSRFKF-INIZCTEOSA-N 1 0 330.476 2.891 20 10 EFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC[NH+]1CC=CC1 ZINC001328882628 1330643302 /nfs/dbraw/zinc/64/33/02/1330643302.db2.gz BCXGVBIADHPLDW-UHFFFAOYSA-N 1 0 337.423 2.508 20 10 EFCDRO C[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC001329297740 1330691819 /nfs/dbraw/zinc/69/18/19/1330691819.db2.gz DWRCTILWMMOLKD-XIKOKIGWSA-N 1 0 347.409 2.951 20 10 EFCDRO O=C([C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1)N1CCCC1 ZINC001329839780 1330742022 /nfs/dbraw/zinc/74/20/22/1330742022.db2.gz OFHUMJKQZNACDF-SFHVURJKSA-N 1 0 327.472 2.731 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001331450172 1330838311 /nfs/dbraw/zinc/83/83/11/1330838311.db2.gz BPHSGKNPLIHLQH-UHFFFAOYSA-N 1 0 344.503 2.736 20 10 EFCDRO C[NH2+][C@H](C)CCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001331466523 1330840666 /nfs/dbraw/zinc/84/06/66/1330840666.db2.gz MDHLCMWWNJOMSG-MRXNPFEDSA-N 1 0 332.492 2.816 20 10 EFCDRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3cccc(OC)c3O)C2)cc1 ZINC001331581345 1330855838 /nfs/dbraw/zinc/85/58/38/1330855838.db2.gz RXAMMKUIPDASEM-MRXNPFEDSA-N 1 0 342.395 2.692 20 10 EFCDRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3cc(C)ccc3O)C2)cc1 ZINC001331580763 1330856149 /nfs/dbraw/zinc/85/61/49/1330856149.db2.gz PZNAVBPDWGGIQX-QGZVFWFLSA-N 1 0 326.396 2.992 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCCN(c3nccs3)CC2)c1O ZINC001331991157 1330901708 /nfs/dbraw/zinc/90/17/08/1330901708.db2.gz TZTZYMRBBPZPMC-UHFFFAOYSA-N 1 0 333.457 2.878 20 10 EFCDRO C[C@H](NC(=O)[C@@H]([NH3+])C1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC001332516834 1330979804 /nfs/dbraw/zinc/97/98/04/1330979804.db2.gz MNBPQGGLHITDGQ-KXBFYZLASA-N 1 0 345.487 2.608 20 10 EFCDRO CCOC(=O)c1ncc(C[NH2+]Cc2ccc(N(C)C)cc2C)s1 ZINC001333722928 1331201657 /nfs/dbraw/zinc/20/16/57/1331201657.db2.gz HTGZTNNESHYJGV-UHFFFAOYSA-N 1 0 333.457 2.984 20 10 EFCDRO COc1ccc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)c(O)c1OC ZINC001334268629 1331275053 /nfs/dbraw/zinc/27/50/53/1331275053.db2.gz ALOREUMRBWLUGS-HNNXBMFYSA-N 1 0 331.416 2.870 20 10 EFCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC001334814092 1331311715 /nfs/dbraw/zinc/31/17/15/1331311715.db2.gz SNLDQABUCGFOJE-LSDHHAIUSA-N 1 0 347.455 2.887 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)CC2CC(F)(F)C2)[NH+](C)C)cc1 ZINC001334843353 1331316285 /nfs/dbraw/zinc/31/62/85/1331316285.db2.gz UAUDXGWREAGLQR-INIZCTEOSA-N 1 0 339.430 2.907 20 10 EFCDRO O[C@@H]1CCOC2(CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)C1 ZINC001335033927 1331333223 /nfs/dbraw/zinc/33/32/23/1331333223.db2.gz HTMIVTXUBGGKOX-LJQANCHMSA-N 1 0 330.472 2.793 20 10 EFCDRO O[C@H]1CCOC2(CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)C1 ZINC001335033920 1331333342 /nfs/dbraw/zinc/33/33/42/1331333342.db2.gz HTMIVTXUBGGKOX-IBGZPJMESA-N 1 0 330.472 2.793 20 10 EFCDRO CC[C@@H](F)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001335855976 1331410708 /nfs/dbraw/zinc/41/07/08/1331410708.db2.gz QBEBJVKTMPMVTE-UONOGXRCSA-N 1 0 328.815 2.874 20 10 EFCDRO Nc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)cc1 ZINC001336286213 1331455215 /nfs/dbraw/zinc/45/52/15/1331455215.db2.gz PBAWJGFJPBWTNV-LJQANCHMSA-N 1 0 326.440 2.889 20 10 EFCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3ncccc3F)SC2=S)CC1 ZINC001336359751 1331463839 /nfs/dbraw/zinc/46/38/39/1331463839.db2.gz BKEXSDNQDVJKBD-UKTHLTGXSA-N 1 0 337.445 2.516 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)C2(C(C)(F)F)CC2)[NH+](C)C)cc1 ZINC001336624889 1331487715 /nfs/dbraw/zinc/48/77/15/1331487715.db2.gz RXCCWEWWUIAZFC-HNNXBMFYSA-N 1 0 339.430 2.907 20 10 EFCDRO COc1ccc(C[N@H+](C)CCN(C)c2ccccc2)c(O)c1OC ZINC001336685083 1331492407 /nfs/dbraw/zinc/49/24/07/1331492407.db2.gz BMWOVFRCXQWDTK-UHFFFAOYSA-N 1 0 330.428 2.978 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)c(O)c1OC ZINC001336720707 1331495696 /nfs/dbraw/zinc/49/56/96/1331495696.db2.gz ANOCQNJTYGTJIU-BBRMVZONSA-N 1 0 331.412 2.664 20 10 EFCDRO CC(C)[C@H](CNC(=O)NCc1ccc(N)cc1)[NH+]1CCC(C)CC1 ZINC001336727308 1331496779 /nfs/dbraw/zinc/49/67/79/1331496779.db2.gz MSUOCCJSVOTTEM-SFHVURJKSA-N 1 0 332.492 2.825 20 10 EFCDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)C[N@@H+]1Cc1ccccc1 ZINC001337016630 1331527653 /nfs/dbraw/zinc/52/76/53/1331527653.db2.gz RVGVSPGZZVOEJO-HNAYVOBHSA-N 1 0 338.455 2.731 20 10 EFCDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)C[N@@H+]1Cc1ccccc1 ZINC001337016429 1331527964 /nfs/dbraw/zinc/52/79/64/1331527964.db2.gz RVGVSPGZZVOEJO-DNVCBOLYSA-N 1 0 338.455 2.731 20 10 EFCDRO COCCC(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001337798281 1331599795 /nfs/dbraw/zinc/59/97/95/1331599795.db2.gz FVOGLNVLSLEMOS-GDBMZVCRSA-N 1 0 346.471 2.866 20 10 EFCDRO COc1ccc(O)c([C@H](C)NC(=O)CN(C)Cc2ccccc2)c1 ZINC001338562001 1331716162 /nfs/dbraw/zinc/71/61/62/1331716162.db2.gz PBXLWFMAQLODGG-AWEZNQCLSA-N 1 0 328.412 2.710 20 10 EFCDRO CC(C)(C)[C@H]([NH3+])CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001340183810 1332150009 /nfs/dbraw/zinc/15/00/09/1332150009.db2.gz NUGWNBHVJIVKNM-DOTOQJQBSA-N 1 0 334.460 2.663 20 10 EFCDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001344096401 1332402558 /nfs/dbraw/zinc/40/25/58/1332402558.db2.gz QKFMSZAYDYPJHC-IEBWSBKVSA-N 1 0 335.467 2.625 20 10 EFCDRO Nc1ccc(Cc2nc(C(=O)NC[C@H]3CCCCC[NH2+]3)cs2)cc1 ZINC001345527175 1332546102 /nfs/dbraw/zinc/54/61/02/1332546102.db2.gz WLGNXDSAQNREDN-OAHLLOKOSA-N 1 0 344.484 2.578 20 10 EFCDRO COc1ccc(N2CCCN(C(=O)[C@H]([NH3+])C3CCCCC3)CC2)cc1 ZINC001346103304 1332599695 /nfs/dbraw/zinc/59/96/95/1332599695.db2.gz IOFLKXRPFRTOMZ-LJQANCHMSA-N 1 0 345.487 2.642 20 10 EFCDRO C[NH2+][C@H](C)CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC001346306301 1332624012 /nfs/dbraw/zinc/62/40/12/1332624012.db2.gz FLYLTAHVIVLHCP-CYBMUJFWSA-N 1 0 331.460 2.632 20 10 EFCDRO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccc(N(C)C)c(F)c3)C[N@@H+]2C1 ZINC001346375493 1332632098 /nfs/dbraw/zinc/63/20/98/1332632098.db2.gz RMKCHDWVLLQJDO-FVQBIDKESA-N 1 0 333.451 2.628 20 10 EFCDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC001348384181 1332831990 /nfs/dbraw/zinc/83/19/90/1332831990.db2.gz TZPQPMJSERMSDQ-HNNXBMFYSA-N 1 0 328.250 2.995 20 10 EFCDRO CN1CCN(c2ccc(C[NH2+]CC[C@@H](O)C3CCCC3)cc2F)CC1 ZINC001348547597 1332847338 /nfs/dbraw/zinc/84/73/38/1332847338.db2.gz FOEGEPCMJRDYFD-HXUWFJFHSA-N 1 0 349.494 2.608 20 10 EFCDRO CCOC(=O)c1cc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)[nH]n1 ZINC001349410183 1332949423 /nfs/dbraw/zinc/94/94/23/1332949423.db2.gz PSFDLTJUKSHMBX-CQSZACIVSA-N 1 0 344.459 2.682 20 10 EFCDRO COC(=O)[C@@H](c1ccc(F)cc1)N1CCCc2cc(C[NH3+])ccc21 ZINC001350393840 1333074292 /nfs/dbraw/zinc/07/42/92/1333074292.db2.gz AWCIJRDEGFAACE-GOSISDBHSA-N 1 0 328.387 2.951 20 10 EFCDRO CON1CCC([N@H+](C)Cc2ccc(Br)cc2O)CC1 ZINC001350619799 1333104031 /nfs/dbraw/zinc/10/40/31/1333104031.db2.gz KOMABEUHTDDCTL-UHFFFAOYSA-N 1 0 329.238 2.612 20 10 EFCDRO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(C)Cc3ccc(N(C)C)cc3)C[N@@H+]2C1 ZINC001350841941 1333140066 /nfs/dbraw/zinc/14/00/66/1333140066.db2.gz KHPWJFBCALISQN-HHXXYDBFSA-N 1 0 329.488 2.831 20 10 EFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847318485 1333540939 /nfs/dbraw/zinc/54/09/39/1333540939.db2.gz KDUDGXBYEIXHEG-OALUTQOASA-N 1 0 344.503 2.877 20 10 EFCDRO C[C@H](CNC(=O)NCc1ccc(N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001353299793 1334072144 /nfs/dbraw/zinc/07/21/44/1334072144.db2.gz IFDGBRRHLKZKBP-OAHLLOKOSA-N 1 0 338.455 2.515 20 10 EFCDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)cc2)CC1 ZINC000848413246 1334712573 /nfs/dbraw/zinc/71/25/73/1334712573.db2.gz AWDQTEJVLWAAPQ-PZJWPPBQSA-N 1 0 341.499 2.929 20 10 EFCDRO COc1cc(C[NH+]2CCC(Oc3ncc(C)cn3)CC2)c(O)cc1C ZINC000848494931 1334751022 /nfs/dbraw/zinc/75/10/22/1334751022.db2.gz WGMQPKWOYPOSQG-UHFFFAOYSA-N 1 0 343.427 2.851 20 10 EFCDRO c1cc(N2CCCC2)ccc1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000848517519 1334770279 /nfs/dbraw/zinc/77/02/79/1334770279.db2.gz FBIGFSFKTMMAEA-FQEVSTJZSA-N 1 0 329.488 2.630 20 10 EFCDRO CCOc1ccc(C[NH2+][C@@H]2CCc3ccccc3NC2=O)c(O)c1 ZINC000848561230 1334795633 /nfs/dbraw/zinc/79/56/33/1334795633.db2.gz RTNCMJAILMTTLI-QGZVFWFLSA-N 1 0 326.396 2.834 20 10 EFCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000848574406 1334801704 /nfs/dbraw/zinc/80/17/04/1334801704.db2.gz DWBLVLWRPGRPRP-UXHICEINSA-N 1 0 329.488 2.630 20 10 EFCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cc2F)C[C@@H](C)O1 ZINC000848717335 1334857792 /nfs/dbraw/zinc/85/77/92/1334857792.db2.gz VPCDKNJJDZWZBQ-MUIFIZLQSA-N 1 0 335.467 2.799 20 10 EFCDRO CCc1cccc(C[NH+]2CCN(Cc3nc(C)c(C)o3)CC2)c1O ZINC000848885960 1334961666 /nfs/dbraw/zinc/96/16/66/1334961666.db2.gz PQIXCOVTLPNDTC-UHFFFAOYSA-N 1 0 329.444 2.877 20 10 EFCDRO CCc1cccc(C[N@H+](CCO)Cc2cc(OC)ccc2OC)c1O ZINC000848884990 1334962165 /nfs/dbraw/zinc/96/21/65/1334962165.db2.gz PNZRHVPBRCOVJJ-UHFFFAOYSA-N 1 0 345.439 2.966 20 10 EFCDRO CCc1cccc(CNc2ccc(N3CC[NH+](C)CC3)cn2)c1O ZINC000848895937 1334969088 /nfs/dbraw/zinc/96/90/88/1334969088.db2.gz ZFDBEAJZNTZLDD-UHFFFAOYSA-N 1 0 326.444 2.714 20 10 EFCDRO CCc1cccc(C[NH2+]Cc2cccc(OCC(=O)OC)c2)c1O ZINC000848896549 1334969186 /nfs/dbraw/zinc/96/91/86/1334969186.db2.gz CNQDPIWPEQFKQE-UHFFFAOYSA-N 1 0 329.396 2.796 20 10 EFCDRO CCc1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1O ZINC000848906860 1334976931 /nfs/dbraw/zinc/97/69/31/1334976931.db2.gz DOPQCPYZCJNIQH-UHFFFAOYSA-N 1 0 330.388 2.896 20 10 EFCDRO CCc1cccc(C[N@@H+]2CC[C@@](C(=O)OC)(C(F)(F)F)C2)c1O ZINC000848911325 1334980228 /nfs/dbraw/zinc/98/02/28/1334980228.db2.gz TUVNFJIVQDVLIB-OAHLLOKOSA-N 1 0 331.334 2.882 20 10 EFCDRO CCc1cccc(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1O ZINC000848909941 1334980264 /nfs/dbraw/zinc/98/02/64/1334980264.db2.gz DTNFBEGHKRKLJJ-QGZVFWFLSA-N 1 0 331.460 2.724 20 10 EFCDRO CCc1cccc(C[N@H+](CCN2CCOCC2)Cc2ccco2)c1O ZINC000848915565 1334983153 /nfs/dbraw/zinc/98/31/53/1334983153.db2.gz XSSIFIDHOSRILP-UHFFFAOYSA-N 1 0 344.455 2.882 20 10 EFCDRO CCOc1ccc(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)c(O)c1 ZINC000848918768 1334985307 /nfs/dbraw/zinc/98/53/07/1334985307.db2.gz LKWTWUFKQVXINH-QGZVFWFLSA-N 1 0 332.444 2.528 20 10 EFCDRO C[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H]1CC[NH3+] ZINC001356570226 1335054654 /nfs/dbraw/zinc/05/46/54/1335054654.db2.gz RJKJKGGQLNNPJS-QFBILLFUSA-N 1 0 344.503 2.946 20 10 EFCDRO C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@H]1CC[NH3+] ZINC001356570218 1335054763 /nfs/dbraw/zinc/05/47/63/1335054763.db2.gz RJKJKGGQLNNPJS-APWZRJJASA-N 1 0 344.503 2.946 20 10 EFCDRO C[C@@H]1CN(c2ccc(CNC(=[NH2+])N3CCCCC3)cc2F)C[C@H](C)O1 ZINC000849070636 1335068672 /nfs/dbraw/zinc/06/86/72/1335068672.db2.gz ZJJSTURBKGBZGF-GASCZTMLSA-N 1 0 348.466 2.950 20 10 EFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001357765733 1335332071 /nfs/dbraw/zinc/33/20/71/1335332071.db2.gz ZKWGUKVQEAHYOC-UHFFFAOYSA-N 1 0 344.503 2.943 20 10 EFCDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1ccc(N)cc1 ZINC001357792037 1335333800 /nfs/dbraw/zinc/33/38/00/1335333800.db2.gz RVCIDKKJVLWSPE-UHFFFAOYSA-N 1 0 340.471 2.979 20 10 EFCDRO COc1ccc(O)c(C[NH2+][C@@H]2CNCC[C@@H]2c2cccc(F)c2)c1 ZINC000849350282 1335596408 /nfs/dbraw/zinc/59/64/08/1335596408.db2.gz WRTUEGYLTVCPCM-QZTJIDSGSA-N 1 0 330.403 2.775 20 10 EFCDRO CC1CC[NH+](CCCNC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC001467969786 1396916136 /nfs/dbraw/zinc/91/61/36/1396916136.db2.gz VMGATZVGRXTHPU-UHFFFAOYSA-N 1 0 332.492 2.674 20 10 EFCDRO COc1cccc(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC000237363775 1418561780 /nfs/dbraw/zinc/56/17/80/1418561780.db2.gz ZJGFHHBVFPYWKF-UHFFFAOYSA-N 1 0 328.412 2.532 20 10 EFCDRO Cc1cc([C@@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)c(C)o1 ZINC000183813052 1426342058 /nfs/dbraw/zinc/34/20/58/1426342058.db2.gz JFNIOVVBHVASCS-CQSZACIVSA-N 1 0 329.444 2.929 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@]3(C)CCO[C@H]3C)C2)cc1C ZINC001020427188 712978803 /nfs/dbraw/zinc/97/88/03/712978803.db2.gz CVHDPXXLNQJFTN-VERUCKTNSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc(C)co3)C2)cc1C ZINC001020489773 713071951 /nfs/dbraw/zinc/07/19/51/713071951.db2.gz CUKAIKZDHNDNNY-WKILWMFISA-N 1 0 328.412 2.956 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[C@H](F)C3)C2)cc1C ZINC001020518091 713100432 /nfs/dbraw/zinc/10/04/32/713100432.db2.gz ZDIWKILQUSKLHR-YYIAUSFCSA-N 1 0 334.435 2.879 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C)[C@H]3CCCO3)C2)cc1C ZINC001020566827 713207827 /nfs/dbraw/zinc/20/78/27/713207827.db2.gz UISKWXLQXIWHPC-PCODUJHASA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3CC4(CC4)C3)C2)cc1C ZINC001020570369 713219179 /nfs/dbraw/zinc/21/91/79/713219179.db2.gz BPHDMMQBQJYFDS-QAQDUYKDSA-N 1 0 328.456 2.931 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC34CCC4)C2)cc1C ZINC001020645912 713315550 /nfs/dbraw/zinc/31/55/50/713315550.db2.gz OEVREXCHQGJKIJ-ULQDDVLXSA-N 1 0 328.456 2.931 20 10 EFCDRO CC[C@@H]1CC[C@H]1[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000806127443 713448786 /nfs/dbraw/zinc/44/87/86/713448786.db2.gz FALSQAXXLXIOAX-YLJYHZDGSA-N 1 0 331.504 2.986 20 10 EFCDRO CC[C@H]1CC[C@H]1[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000806127431 713448859 /nfs/dbraw/zinc/44/88/59/713448859.db2.gz FALSQAXXLXIOAX-FXAWDEMLSA-N 1 0 331.504 2.986 20 10 EFCDRO CSCC[C@H]([NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)C(=O)N(C)C ZINC000806663009 713470374 /nfs/dbraw/zinc/47/03/74/713470374.db2.gz RKJKBTUFTSITCG-DRZSPHRISA-N 1 0 340.464 2.879 20 10 EFCDRO CC1CC(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001021117224 713589639 /nfs/dbraw/zinc/58/96/39/713589639.db2.gz ZYHDNROLSXHOCI-WKRMFGKLSA-N 1 0 343.431 2.746 20 10 EFCDRO CC(C)[C@H](CNCc1ccc(N2CCOCC2)cc1)[NH+]1CCCC1 ZINC000079121782 713865769 /nfs/dbraw/zinc/86/57/69/713865769.db2.gz AGZVMJOAYUZUQW-FQEVSTJZSA-N 1 0 331.504 2.733 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(NC(C)=O)cc2)c(O)c1OC ZINC000892487890 717937741 /nfs/dbraw/zinc/93/77/41/717937741.db2.gz WKHCRKOKANBIKR-UHFFFAOYSA-N 1 0 330.384 2.658 20 10 EFCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000177218433 717946973 /nfs/dbraw/zinc/94/69/73/717946973.db2.gz KCLCVAALLZZTTI-LJQANCHMSA-N 1 0 329.396 2.939 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCSC2)[NH+](C)C)cc1 ZINC000891246272 714132201 /nfs/dbraw/zinc/13/22/01/714132201.db2.gz BQMFPIOMUHYGMC-WBVHZDCISA-N 1 0 335.517 2.615 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCSC2)[NH+](C)C)cc1 ZINC000891246271 714132254 /nfs/dbraw/zinc/13/22/54/714132254.db2.gz BQMFPIOMUHYGMC-RDJZCZTQSA-N 1 0 335.517 2.615 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccc[nH]2)[NH+](C)C)cc1 ZINC000891246774 714133088 /nfs/dbraw/zinc/13/30/88/714133088.db2.gz DGFFPMZLMVTWLC-ZPHJMFTNSA-N 1 0 326.444 2.513 20 10 EFCDRO C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)(F)F ZINC000891246296 714133151 /nfs/dbraw/zinc/13/31/51/714133151.db2.gz BXJYHBKTOFAERV-WFASDCNBSA-N 1 0 327.419 2.763 20 10 EFCDRO CSCC(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246626 714133971 /nfs/dbraw/zinc/13/39/71/714133971.db2.gz CNSZVWCWNGISKO-MRXNPFEDSA-N 1 0 337.533 2.861 20 10 EFCDRO Cc1ccoc1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248552 714136042 /nfs/dbraw/zinc/13/60/42/714136042.db2.gz YLMQBSPVFXDIPZ-QGZVFWFLSA-N 1 0 329.444 2.616 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)CC(F)(F)F)[NH+](C)C)cc1 ZINC000891249304 714137954 /nfs/dbraw/zinc/13/79/54/714137954.db2.gz QMYBMCWWQIXKLZ-AWEZNQCLSA-N 1 0 346.397 2.559 20 10 EFCDRO CC[C@@H]1C[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCO1 ZINC000891249888 714139187 /nfs/dbraw/zinc/13/91/87/714139187.db2.gz XNZUOKSYVAVFBG-BHIYHBOVSA-N 1 0 347.503 2.677 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2coc(C3CC3)n2)[NH+](C)C)cc1 ZINC000891249717 714139427 /nfs/dbraw/zinc/13/94/27/714139427.db2.gz VWHNXFVWNBUTPE-QGZVFWFLSA-N 1 0 342.443 2.651 20 10 EFCDRO CC[C@H](C)[C@H](OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248807 714139842 /nfs/dbraw/zinc/13/98/42/714139842.db2.gz OETSXAMWXHYNEO-QGTPRVQTSA-N 1 0 335.492 2.533 20 10 EFCDRO C[C@@H]1CC[C@H](CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)O1 ZINC000891251987 714142717 /nfs/dbraw/zinc/14/27/17/714142717.db2.gz JFABHMIGMTXOAU-ATZDWAIDSA-N 1 0 347.503 2.819 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2Cc3ccccc32)[NH+](C)C)cc1 ZINC000891253173 714146599 /nfs/dbraw/zinc/14/65/99/714146599.db2.gz RFTCOCQAMPHGJX-PMACEKPBSA-N 1 0 337.467 2.811 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)CC[C@H]2CCCCO2)[NH+](C)C)cc1 ZINC000891252316 714146819 /nfs/dbraw/zinc/14/68/19/714146819.db2.gz JKPZDOXJWVCOLI-MOPGFXCFSA-N 1 0 347.503 2.821 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[NH+](C)C)cc1 ZINC000891252377 714147062 /nfs/dbraw/zinc/14/70/62/714147062.db2.gz KGDMDKFPUUEPDX-HCXYKTFWSA-N 1 0 329.488 2.908 20 10 EFCDRO CCCCO[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254720 714148349 /nfs/dbraw/zinc/14/83/49/714148349.db2.gz IQIJAQPXHUXNRY-YJBOKZPZSA-N 1 0 335.492 2.677 20 10 EFCDRO CNc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254772 714150069 /nfs/dbraw/zinc/15/00/69/714150069.db2.gz JDYWDVOCZXPMPT-LJQANCHMSA-N 1 0 340.471 2.827 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2cccnc2)[NH+](C)C)cc1 ZINC000891255923 714150260 /nfs/dbraw/zinc/15/02/60/714150260.db2.gz SRCJLATVESBJFE-XCJXAGMVSA-N 1 0 338.455 2.580 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C\c2cccnc2)[NH+](C)C)cc1 ZINC000891255920 714150288 /nfs/dbraw/zinc/15/02/88/714150288.db2.gz SRCJLATVESBJFE-DIBVOSKASA-N 1 0 338.455 2.580 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2ccco2)[NH+](C)C)cc1 ZINC000891258117 714152435 /nfs/dbraw/zinc/15/24/35/714152435.db2.gz NREUJMIXAISXTF-YUIUBULTSA-N 1 0 327.428 2.778 20 10 EFCDRO COc1cc(O)c(CN2C[C@H]([NH+](C)C)Cc3ccccc32)cc1OC ZINC000160472645 714167390 /nfs/dbraw/zinc/16/73/90/714167390.db2.gz JQSFXLOOQRVUJH-MRXNPFEDSA-N 1 0 342.439 2.902 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(C)nc3)C2)cc1C ZINC001021843307 714556951 /nfs/dbraw/zinc/55/69/51/714556951.db2.gz GMPHRIONMXJXIS-HDICACEKSA-N 1 0 339.439 2.758 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(F)nc3)C2)cc1C ZINC001021904716 714593780 /nfs/dbraw/zinc/59/37/80/714593780.db2.gz HKZFORXDLNPBLW-IYBDPMFKSA-N 1 0 343.402 2.588 20 10 EFCDRO COC(=O)COc1ccccc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000891396749 714616751 /nfs/dbraw/zinc/61/67/51/714616751.db2.gz DRWKDQRSAWKUSN-UHFFFAOYSA-N 1 0 342.439 2.936 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccncc3C)C2)cc1C ZINC001022055943 714702618 /nfs/dbraw/zinc/70/26/18/714702618.db2.gz YULBMYLAAQFYQJ-CALCHBBNSA-N 1 0 339.439 2.758 20 10 EFCDRO COc1ccc(OCC[N@H+](C)Cc2ccc(OC)c(OC)c2O)cc1 ZINC000891504498 714789284 /nfs/dbraw/zinc/78/92/84/714789284.db2.gz VMWMJYFSRNNIBL-UHFFFAOYSA-N 1 0 347.411 2.929 20 10 EFCDRO COc1cc(C[N@H+](C)Cc2ccc(OC)c(OC)c2O)ccc1O ZINC000891568158 714828759 /nfs/dbraw/zinc/82/87/59/714828759.db2.gz NRDHUEBYWWPAER-UHFFFAOYSA-N 1 0 333.384 2.756 20 10 EFCDRO CCOC(=O)CC1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891647595 714896452 /nfs/dbraw/zinc/89/64/52/714896452.db2.gz YDAVHMKQFBQTOL-UHFFFAOYSA-N 1 0 337.416 2.575 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccsn3)C2)cc1C ZINC001022263810 714938245 /nfs/dbraw/zinc/93/82/45/714938245.db2.gz DKKBGBLHSRUISK-OKILXGFUSA-N 1 0 331.441 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)C(F)F)C2)cc1C ZINC000980281336 718016226 /nfs/dbraw/zinc/01/62/26/718016226.db2.gz YYYNUBXCWFMFOS-OCCSQVGLSA-N 1 0 326.387 2.595 20 10 EFCDRO CCn1cc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)c(C)n1 ZINC000891775171 715009917 /nfs/dbraw/zinc/00/99/17/715009917.db2.gz JDEMJPPNCMBCJQ-UHFFFAOYSA-N 1 0 328.460 2.932 20 10 EFCDRO COc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)cc(OC)n1 ZINC001022368274 715045300 /nfs/dbraw/zinc/04/53/00/715045300.db2.gz RZQGTCYTJMEYQN-IYBDPMFKSA-N 1 0 347.459 2.530 20 10 EFCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000092456405 715111256 /nfs/dbraw/zinc/11/12/56/715111256.db2.gz SNVJOZHONWEYKC-NSHDSACASA-N 1 0 342.233 2.930 20 10 EFCDRO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001022467257 715172462 /nfs/dbraw/zinc/17/24/62/715172462.db2.gz ZQDKRZOVKDNDCY-XDNAFOTISA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@]3(C)CCO[C@@H]3C)C2)cc1C ZINC001022481756 715177332 /nfs/dbraw/zinc/17/73/32/715177332.db2.gz CVHDPXXLNQJFTN-PYQAKABTSA-N 1 0 346.471 2.556 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[C@@H](F)C3)C2)cc1C ZINC001022609889 715251403 /nfs/dbraw/zinc/25/14/03/715251403.db2.gz ZDIWKILQUSKLHR-VVLHAWIVSA-N 1 0 334.435 2.879 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H]3CC[C@@H](C)O3)C2)cc1C ZINC001022651713 715275233 /nfs/dbraw/zinc/27/52/33/715275233.db2.gz MXPSTMOVIRNJSB-BGTYHANMSA-N 1 0 346.471 2.698 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c(O)c1OC ZINC000893435710 715394072 /nfs/dbraw/zinc/39/40/72/715394072.db2.gz UUPWMZOZFOGCOE-OYLFLEFRSA-N 1 0 349.452 2.619 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)c(O)c1OC ZINC000893435708 715394333 /nfs/dbraw/zinc/39/43/33/715394333.db2.gz UUPWMZOZFOGCOE-MYYSRTQBSA-N 1 0 349.452 2.619 20 10 EFCDRO COc1cc(C(=O)N[C@H]2CC[N@H+](CC=C(C)C)[C@@H](C)C2)cc(OC)n1 ZINC000947497412 715411648 /nfs/dbraw/zinc/41/16/48/715411648.db2.gz IMQRSWIPSZOQDG-HOCLYGCPSA-N 1 0 347.459 2.648 20 10 EFCDRO COc1cc(C(=O)N[C@H]2CC[N@H+](CCC(C)C)[C@@H](C)C2)cc(OC)n1 ZINC000947497597 715422431 /nfs/dbraw/zinc/42/24/31/715422431.db2.gz JVCNBCKYDRIMMF-HOCLYGCPSA-N 1 0 349.475 2.728 20 10 EFCDRO CC(=O)NC1CCC([NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000161312358 715586530 /nfs/dbraw/zinc/58/65/30/715586530.db2.gz IKVTYSYBWHSJAM-UHFFFAOYSA-N 1 0 347.528 2.777 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3nccs3)C2)cc1C ZINC001027136027 715686104 /nfs/dbraw/zinc/68/61/04/715686104.db2.gz GRVSCJZPKWUDPY-HNNXBMFYSA-N 1 0 345.468 2.712 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](C[NH2+]CC3CCC3)C2)cc1 ZINC001027242800 715971390 /nfs/dbraw/zinc/97/13/90/715971390.db2.gz ZTQRUOBHCDMDPP-CQSZACIVSA-N 1 0 343.431 2.701 20 10 EFCDRO CC(C)[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001027698276 716558288 /nfs/dbraw/zinc/55/82/88/716558288.db2.gz HEYDHBWNDLLOCC-HNNXBMFYSA-N 1 0 331.420 2.794 20 10 EFCDRO CC(=O)NCC1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000219487864 716621488 /nfs/dbraw/zinc/62/14/88/716621488.db2.gz MNMHOZRTXCAUGS-UHFFFAOYSA-N 1 0 341.249 2.503 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)C3CCC3)CCO2)cc1C ZINC000979185096 716777099 /nfs/dbraw/zinc/77/70/99/716777099.db2.gz WAQTVYRPSJLMHG-HNAYVOBHSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CN(C(=O)C3CCC3)CCO2)cc1C ZINC000979185092 716777343 /nfs/dbraw/zinc/77/73/43/716777343.db2.gz WAQTVYRPSJLMHG-DNVCBOLYSA-N 1 0 346.471 2.509 20 10 EFCDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001023769702 716989850 /nfs/dbraw/zinc/98/98/50/716989850.db2.gz CIJYTIKFIYDUJJ-CYBMUJFWSA-N 1 0 331.420 2.699 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC001023769849 716990611 /nfs/dbraw/zinc/99/06/11/716990611.db2.gz IJATZGYXNHDFRH-CQSZACIVSA-N 1 0 343.431 2.701 20 10 EFCDRO CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001023770085 716990791 /nfs/dbraw/zinc/99/07/91/716990791.db2.gz PAJRXMJBEYRCOX-ZDUSSCGKSA-N 1 0 331.420 2.701 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCC[N@H+](CCCF)C2)cc1 ZINC001023770396 716991626 /nfs/dbraw/zinc/99/16/26/716991626.db2.gz YIYROFMHVGZLOW-CYBMUJFWSA-N 1 0 349.410 2.650 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CCCF)C2)cc1 ZINC001023770397 716991633 /nfs/dbraw/zinc/99/16/33/716991633.db2.gz YIYROFMHVGZLOW-ZDUSSCGKSA-N 1 0 349.410 2.650 20 10 EFCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)C(C)(C)C)CCO2)cc1C ZINC000979427535 717016156 /nfs/dbraw/zinc/01/61/56/717016156.db2.gz JAENBKGZCZHGMM-YJBOKZPZSA-N 1 0 348.487 2.755 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)cc1C ZINC001023830658 717073900 /nfs/dbraw/zinc/07/39/00/717073900.db2.gz YZJWKXDVUMFMGY-MJGOQNOKSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)cc1C ZINC001023830657 717073944 /nfs/dbraw/zinc/07/39/44/717073944.db2.gz YZJWKXDVUMFMGY-IEBWSBKVSA-N 1 0 346.471 2.511 20 10 EFCDRO COc1ccccc1OCC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892409196 717134417 /nfs/dbraw/zinc/13/44/17/717134417.db2.gz XHTZVEWJEQAHAS-UHFFFAOYSA-N 1 0 333.384 2.587 20 10 EFCDRO CN(Cc1cn(C)nc1C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000893573446 717539525 /nfs/dbraw/zinc/53/95/25/717539525.db2.gz YJAJQECKIJRGIP-UHFFFAOYSA-N 1 0 328.460 2.874 20 10 EFCDRO COc1ccc(C[NH2+]CCn2c(C)nc3ccccc32)c(O)c1OC ZINC000892461013 717634553 /nfs/dbraw/zinc/63/45/53/717634553.db2.gz XBIOECRXYSFSFM-UHFFFAOYSA-N 1 0 341.411 2.857 20 10 EFCDRO CC(C)OCCCNC(=O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179557258 717786652 /nfs/dbraw/zinc/78/66/52/717786652.db2.gz KBMQCDMBMUNQFB-UHFFFAOYSA-N 1 0 334.460 2.536 20 10 EFCDRO C[C@H]1C[C@H](C[NH2+]CC2CC2)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000980816479 717796431 /nfs/dbraw/zinc/79/64/31/717796431.db2.gz DZWJVDGWZZJPOG-GXTWGEPZSA-N 1 0 343.431 2.699 20 10 EFCDRO C[C@@H]1C[C@H](C[NH2+]CC2CC2)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000980816482 717796824 /nfs/dbraw/zinc/79/68/24/717796824.db2.gz DZWJVDGWZZJPOG-TZMCWYRMSA-N 1 0 343.431 2.699 20 10 EFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccccc2F)[NH+](C)C)cc1 ZINC000005097717 718057395 /nfs/dbraw/zinc/05/73/95/718057395.db2.gz MTDFPGNLVGCXNL-SFHVURJKSA-N 1 0 329.419 2.924 20 10 EFCDRO Cc1ccc([C@H](CNC(=O)c2ccc(C)c(O)c2O)[NH+](C)C)cc1 ZINC000177676857 718158404 /nfs/dbraw/zinc/15/84/04/718158404.db2.gz SYRWNJJBKBUZFT-INIZCTEOSA-N 1 0 328.412 2.747 20 10 EFCDRO Cc1ccc([C@@H](CNC(=O)c2ccc(C)c(O)c2O)[NH+]2CCCC2)o1 ZINC000177678908 718158896 /nfs/dbraw/zinc/15/88/96/718158896.db2.gz XYSLJUKOCZKEQK-OAHLLOKOSA-N 1 0 344.411 2.875 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCCF)cc1 ZINC001024818934 718179893 /nfs/dbraw/zinc/17/98/93/718179893.db2.gz IHESTZGOBGRPPN-HNNXBMFYSA-N 1 0 349.410 2.793 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)CC(C)(C)O)cc1C ZINC001024945451 718231856 /nfs/dbraw/zinc/23/18/56/718231856.db2.gz UCHAUDYIXUCRFQ-QGZVFWFLSA-N 1 0 348.487 2.635 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)c(OC)c1 ZINC000892630175 718357625 /nfs/dbraw/zinc/35/76/25/718357625.db2.gz XXLAMHYHBDLOJR-UHFFFAOYSA-N 1 0 333.384 2.716 20 10 EFCDRO COc1cc(C(=O)N[C@H]2CCC[C@H]([NH2+]CCC3CC3)C2)cc(OC)n1 ZINC000981200095 718493944 /nfs/dbraw/zinc/49/39/44/718493944.db2.gz XARBQWQYTAULNZ-HOTGVXAUSA-N 1 0 347.459 2.530 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccn(C)c3)[C@@H]2C)cc1C ZINC000986156144 724542461 /nfs/dbraw/zinc/54/24/61/724542461.db2.gz CZILRILHPYLHQL-CRAIPNDOSA-N 1 0 341.455 2.735 20 10 EFCDRO C[C@@H]1C[C@H]([NH2+]CC2(CS(C)(=O)=O)CCC2)c2c1c(F)ccc2O ZINC000840890617 718919320 /nfs/dbraw/zinc/91/93/20/718919320.db2.gz PREGQBULZVALEF-YPMHNXCESA-N 1 0 341.448 2.884 20 10 EFCDRO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000840891466 718941906 /nfs/dbraw/zinc/94/19/06/718941906.db2.gz TYNYETPDQZHSKS-ZJUUUORDSA-N 1 0 329.238 2.718 20 10 EFCDRO CC[C@@H]([NH2+]C[C@@](C)(O)COC)c1cc(Br)ccc1O ZINC000382565541 718961748 /nfs/dbraw/zinc/96/17/48/718961748.db2.gz NXBUINDRRPKTLE-TZMCWYRMSA-N 1 0 332.238 2.593 20 10 EFCDRO COc1ccc(C[NH+]2CCC(O)(c3ccccc3)CC2)c(O)c1OC ZINC000893638771 718964136 /nfs/dbraw/zinc/96/41/36/718964136.db2.gz QZRUMALVUMLZHW-UHFFFAOYSA-N 1 0 343.423 2.893 20 10 EFCDRO COc1ccc(C[NH2+]Cc2c(C)cc(C)nc2OC)c(O)c1OC ZINC000892861763 719241940 /nfs/dbraw/zinc/24/19/40/719241940.db2.gz DFOLLEGERRUFCR-UHFFFAOYSA-N 1 0 332.400 2.720 20 10 EFCDRO COc1ccc(CC[NH2+]Cc2ccc(OC)c(OC)c2O)cc1F ZINC000892870628 719250635 /nfs/dbraw/zinc/25/06/35/719250635.db2.gz GNRXDRJXGZUOGV-UHFFFAOYSA-N 1 0 335.375 2.889 20 10 EFCDRO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCC[N@H+](CCF)C1 ZINC001025631699 719259601 /nfs/dbraw/zinc/25/96/01/719259601.db2.gz DEWAMEIJKZATSX-OCCSQVGLSA-N 1 0 349.410 2.649 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3scnc3C)C2)cc1C ZINC001020002465 719423142 /nfs/dbraw/zinc/42/31/42/719423142.db2.gz NLOBZYRTAKMHRI-SHTZXODSSA-N 1 0 345.468 2.819 20 10 EFCDRO COc1ccccc1O[C@@H](C)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893094329 719621435 /nfs/dbraw/zinc/62/14/35/719621435.db2.gz HBSQNNPWMYVAJK-ZDUSSCGKSA-N 1 0 347.411 2.975 20 10 EFCDRO C[C@H](NC(=O)Cc1ccc(N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261562194 719630398 /nfs/dbraw/zinc/63/03/98/719630398.db2.gz GJEOIQYJJSSLPI-LPHOPBHVSA-N 1 0 337.467 2.838 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c(O)c1OC ZINC000893133503 719720580 /nfs/dbraw/zinc/72/05/80/719720580.db2.gz FDYQGLSJBJCDKZ-GUYCJALGSA-N 1 0 339.457 2.554 20 10 EFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CCCC[C@@H]1CC)cc2=O ZINC000163270729 724615606 /nfs/dbraw/zinc/61/56/06/724615606.db2.gz YYHHRKZKJUUZIO-SWLSCSKDSA-N 1 0 346.431 2.670 20 10 EFCDRO Cc1cccc(C[N@@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000179882398 719868114 /nfs/dbraw/zinc/86/81/14/719868114.db2.gz GNMYORABUODAGP-CYBMUJFWSA-N 1 0 334.441 2.541 20 10 EFCDRO COc1ccc(C[NH2+]CC[C@@H]2COc3ccccc3O2)c(O)c1OC ZINC000893168230 719915593 /nfs/dbraw/zinc/91/55/93/719915593.db2.gz RUOUMVJPFWBXHM-CQSZACIVSA-N 1 0 345.395 2.729 20 10 EFCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000840975115 719958001 /nfs/dbraw/zinc/95/80/01/719958001.db2.gz KSBCNHYKRKXLQT-OAHLLOKOSA-N 1 0 342.233 2.930 20 10 EFCDRO COc1ccc(C[NH2+]CC[C@@](C)(O)c2ccccc2)c(O)c1OC ZINC000893720424 720002919 /nfs/dbraw/zinc/00/29/19/720002919.db2.gz ZTIFVLLSGMHLDJ-LJQANCHMSA-N 1 0 331.412 2.797 20 10 EFCDRO C[C@H](CC(=O)NCCCSc1nccs1)[C@@H]1CCC[NH2+]C1 ZINC000237625369 720012632 /nfs/dbraw/zinc/01/26/32/720012632.db2.gz MBVBMFNKELUMNR-CHWSQXEVSA-N 1 0 327.519 2.767 20 10 EFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c1O ZINC000840980405 720037968 /nfs/dbraw/zinc/03/79/68/720037968.db2.gz ZCYFWXFEBKOTQV-GHMZBOCLSA-N 1 0 344.249 2.756 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c(O)c1OC ZINC000893208744 720050801 /nfs/dbraw/zinc/05/08/01/720050801.db2.gz GKKGZBVPSRRVLB-XWIAVFTESA-N 1 0 333.428 2.847 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCc3ccccc3C2)c1 ZINC000182405643 720125484 /nfs/dbraw/zinc/12/54/84/720125484.db2.gz UUOMYXNKCRQCSQ-AWEZNQCLSA-N 1 0 340.423 2.636 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2C)c1 ZINC000182428738 720129641 /nfs/dbraw/zinc/12/96/41/720129641.db2.gz SMJGMRVCASVZSJ-HUUCEWRRSA-N 1 0 331.412 2.800 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)c1O ZINC000893925845 720164345 /nfs/dbraw/zinc/16/43/45/720164345.db2.gz SBWBDRHSENPFLJ-INIZCTEOSA-N 1 0 344.411 2.583 20 10 EFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](Oc3cccc(F)c3)C1)OCO2 ZINC000182778490 720182188 /nfs/dbraw/zinc/18/21/88/720182188.db2.gz ITBGJLLILIGJCQ-HNNXBMFYSA-N 1 0 331.343 2.913 20 10 EFCDRO CCOC(=O)C1(C[NH2+]Cc2ccc(OC)c(OC)c2O)CCCC1 ZINC000894002622 720216334 /nfs/dbraw/zinc/21/63/34/720216334.db2.gz YIBSOUBVHOJDTG-UHFFFAOYSA-N 1 0 337.416 2.623 20 10 EFCDRO CC[C@@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)[C@@H](CC)CN1C(C)=O ZINC000894053315 720252264 /nfs/dbraw/zinc/25/22/64/720252264.db2.gz JBHLGVFVNBSIRC-DLBZAZTESA-N 1 0 334.460 2.931 20 10 EFCDRO COc1ccc(C[NH2+]Cc2ccc3c(n2)CCCC3)c(O)c1OC ZINC000894060650 720256967 /nfs/dbraw/zinc/25/69/67/720256967.db2.gz STLMBLIRZGGMRO-UHFFFAOYSA-N 1 0 328.412 2.973 20 10 EFCDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c(O)c1OC ZINC000894061146 720258250 /nfs/dbraw/zinc/25/82/50/720258250.db2.gz DZDBVKUVCZEGJB-CQSZACIVSA-N 1 0 331.416 2.523 20 10 EFCDRO CCC[N@H+](Cc1c(O)ccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000014264433 720306800 /nfs/dbraw/zinc/30/68/00/720306800.db2.gz YMTAPEKGYKEBBU-HNNXBMFYSA-N 1 0 333.453 2.945 20 10 EFCDRO CC(C)[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]21 ZINC001026430645 720568453 /nfs/dbraw/zinc/56/84/53/720568453.db2.gz RDCKQKJKHKIJIR-NUEKZKHPSA-N 1 0 343.431 2.698 20 10 EFCDRO C[C@H](CC(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000178710815 720569593 /nfs/dbraw/zinc/56/95/93/720569593.db2.gz NTJVIBVWKUATNF-AEFFLSMTSA-N 1 0 329.488 2.929 20 10 EFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000162522805 720628305 /nfs/dbraw/zinc/62/83/05/720628305.db2.gz NWPNTMXCCZXDTH-OLZOCXBDSA-N 1 0 341.249 2.631 20 10 EFCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCC(F)(F)F)[NH+](C)C)cc1 ZINC000893338840 720785192 /nfs/dbraw/zinc/78/51/92/720785192.db2.gz SGOPBEZBNZGOBD-CQSZACIVSA-N 1 0 346.397 2.607 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3ccoc3)C2)cc1C ZINC001026682915 720926855 /nfs/dbraw/zinc/92/68/55/720926855.db2.gz YRJSCPKJYUVGMI-MRXNPFEDSA-N 1 0 328.412 2.849 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3ncoc3C)C2)cc1C ZINC001026717435 720963308 /nfs/dbraw/zinc/96/33/08/720963308.db2.gz DLDKMHZYXOSUPE-INIZCTEOSA-N 1 0 343.427 2.552 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C)C3CC3)C2)cc1C ZINC001026758993 721048140 /nfs/dbraw/zinc/04/81/40/721048140.db2.gz XDGXKVMIEDCCBF-NVXWUHKLSA-N 1 0 330.472 2.988 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3cc[nH]c3C)C2)cc1C ZINC001026769144 721074786 /nfs/dbraw/zinc/07/47/86/721074786.db2.gz ZSAOFGBJBFCGIT-QGZVFWFLSA-N 1 0 341.455 2.892 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC3(F)F)C2)cc1C ZINC001026831395 721188646 /nfs/dbraw/zinc/18/86/46/721188646.db2.gz WPVMPDDWZPXUEX-GJZGRUSLSA-N 1 0 338.398 2.597 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@@H](C)C(=O)NCc2ccccc2)c1O ZINC000894201298 721195886 /nfs/dbraw/zinc/19/58/86/721195886.db2.gz XZVNCEPHYFMLQW-AWEZNQCLSA-N 1 0 328.412 2.504 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1O ZINC000894201115 721196344 /nfs/dbraw/zinc/19/63/44/721196344.db2.gz WCTQZYNBNGMUFP-HNNXBMFYSA-N 1 0 333.403 2.789 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)COc2c(C)cccc2C)c1O ZINC000894204068 721198182 /nfs/dbraw/zinc/19/81/82/721198182.db2.gz HZQYZLFFXURKIC-QGZVFWFLSA-N 1 0 345.439 2.856 20 10 EFCDRO COc1cccc2c1OC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)C2 ZINC000894224478 721304446 /nfs/dbraw/zinc/30/44/46/721304446.db2.gz FYPZTMGCBZUKOJ-HNNXBMFYSA-N 1 0 329.396 2.811 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(c3ccccc3)C2=O)c1O ZINC000894226241 721311720 /nfs/dbraw/zinc/31/17/20/721311720.db2.gz OZELMSFIIIGWMT-MRXNPFEDSA-N 1 0 326.396 2.604 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3ccsn3)C2)cc1C ZINC001026911116 721322402 /nfs/dbraw/zinc/32/24/02/721322402.db2.gz STJCNSRVYYZHKV-HNNXBMFYSA-N 1 0 345.468 2.712 20 10 EFCDRO C[C@@H]1COC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000924907542 721355924 /nfs/dbraw/zinc/35/59/24/721355924.db2.gz RPOOVRAIEDSYHO-WBMJQRKESA-N 1 0 326.387 2.881 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc(F)c[nH]3)[C@H]2C)cc1C ZINC000986584307 724775360 /nfs/dbraw/zinc/77/53/60/724775360.db2.gz FQPNXVTWRUOJCF-XJKSGUPXSA-N 1 0 345.418 2.864 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc(F)c[nH]3)[C@@H]2C)cc1C ZINC000986584302 724775451 /nfs/dbraw/zinc/77/54/51/724775451.db2.gz FQPNXVTWRUOJCF-CJNGLKHVSA-N 1 0 345.418 2.864 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(c3ccccc3F)C2=O)c1O ZINC000894251413 721743959 /nfs/dbraw/zinc/74/39/59/721743959.db2.gz VHWPUILNVFJYDK-HNNXBMFYSA-N 1 0 344.386 2.743 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCNC(=O)c2ccccc2Cl)c1O ZINC000894256445 721763154 /nfs/dbraw/zinc/76/31/54/721763154.db2.gz QSAINJCGIRMFOF-UHFFFAOYSA-N 1 0 348.830 2.882 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)c1O ZINC000894260913 721779042 /nfs/dbraw/zinc/77/90/42/721779042.db2.gz FUSUIGKXODLLAA-GOSISDBHSA-N 1 0 337.366 2.985 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3cscn3)C2)cc1C ZINC000983312128 721999781 /nfs/dbraw/zinc/99/97/81/721999781.db2.gz WRUCRULTOVMBSR-SHTZXODSSA-N 1 0 345.468 2.758 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c1O ZINC000894333234 722112520 /nfs/dbraw/zinc/11/25/20/722112520.db2.gz VLTWTHBWBXXTPG-MRXNPFEDSA-N 1 0 332.444 2.590 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC[N@H+](C/C=C\Cl)C2)cc1 ZINC001029013696 722638788 /nfs/dbraw/zinc/63/87/88/722638788.db2.gz GABFKEBOQJPFSN-XJGZDTAESA-N 1 0 349.822 2.653 20 10 EFCDRO CC[C@H](F)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013970 722639035 /nfs/dbraw/zinc/63/90/35/722639035.db2.gz MSUBJIFGWIKGFW-OCCSQVGLSA-N 1 0 349.410 2.649 20 10 EFCDRO COc1ccc(C[NH2+][C@H](C)C2CCN(C(=O)C(F)F)CC2)cc1C ZINC001029031412 722677324 /nfs/dbraw/zinc/67/73/24/722677324.db2.gz HPAJGSMPIUDXJE-CYBMUJFWSA-N 1 0 340.414 2.985 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3coc(C)n3)C2)cc1C ZINC000983537524 722698583 /nfs/dbraw/zinc/69/85/83/722698583.db2.gz DOJPWFKILXTFEC-WKILWMFISA-N 1 0 343.427 2.598 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000324752424 722726656 /nfs/dbraw/zinc/72/66/56/722726656.db2.gz UBCWYCYCRVAKMI-IBGZPJMESA-N 1 0 325.456 2.844 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000894424675 722732903 /nfs/dbraw/zinc/73/29/03/722732903.db2.gz LBQTVXTUOYSYEX-WAIKUNEKSA-N 1 0 333.453 2.919 20 10 EFCDRO COc1ccc(CN(CC[NH+](C)C)Cc2ccccc2)c(O)c1OC ZINC000894449619 722737900 /nfs/dbraw/zinc/73/79/00/722737900.db2.gz WAHTWFDPFKFIDO-UHFFFAOYSA-N 1 0 344.455 2.973 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@H]2CC(=O)N(C3CCCCC3)C2)c1O ZINC000894457000 722741628 /nfs/dbraw/zinc/74/16/28/722741628.db2.gz VYWGOONFPTYNFI-HNNXBMFYSA-N 1 0 332.444 2.732 20 10 EFCDRO COc1ccc(CN(CC[NH+](C)C)Cc2ccc(C)o2)c(O)c1OC ZINC000894457157 722741716 /nfs/dbraw/zinc/74/17/16/722741716.db2.gz UATFSWFTPOXSIY-UHFFFAOYSA-N 1 0 348.443 2.875 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3[nH]ccc3C)C2)cc1C ZINC000983589560 722745571 /nfs/dbraw/zinc/74/55/71/722745571.db2.gz KBEDWQUSSIDWRB-QAQDUYKDSA-N 1 0 341.455 2.938 20 10 EFCDRO COC(=O)C[C@@](C)([NH2+]Cc1cc(C)cc(OC)c1O)c1ccncc1 ZINC000894491736 722757002 /nfs/dbraw/zinc/75/70/02/722757002.db2.gz REMCFVBIMFCOJO-LJQANCHMSA-N 1 0 344.411 2.672 20 10 EFCDRO COc1ccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c(O)c1OC ZINC000894539186 722775946 /nfs/dbraw/zinc/77/59/46/722775946.db2.gz SEKKLMSUVBCJFI-UZLBHIALSA-N 1 0 343.423 2.665 20 10 EFCDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894667817 722811383 /nfs/dbraw/zinc/81/13/83/722811383.db2.gz NVRGWFVCOWULCT-LLVKDONJSA-N 1 0 337.338 2.857 20 10 EFCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000894748282 722833395 /nfs/dbraw/zinc/83/33/95/722833395.db2.gz RPJSMDZKCGQEPN-OLZOCXBDSA-N 1 0 333.350 2.702 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c(O)c1OC ZINC000894738443 722833651 /nfs/dbraw/zinc/83/36/51/722833651.db2.gz PDCYBMGVMWIDDM-NVXWUHKLSA-N 1 0 344.411 2.814 20 10 EFCDRO COc1cc(C)cc(C[NH2+][C@@H](C)C(=O)NCCc2ccccc2)c1O ZINC000894916040 723027824 /nfs/dbraw/zinc/02/78/24/723027824.db2.gz YMQVNHOFOSBSRC-HNNXBMFYSA-N 1 0 342.439 2.546 20 10 EFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)cc1F ZINC000895001021 723045714 /nfs/dbraw/zinc/04/57/14/723045714.db2.gz OPYRPGCXZWMYJW-FQEVSTJZSA-N 1 0 341.430 2.521 20 10 EFCDRO Cc1nnc([C@H]2CC[N@H+](Cc3ccc(Br)cc3O)C2)[nH]1 ZINC000895013097 723050100 /nfs/dbraw/zinc/05/01/00/723050100.db2.gz XYUZMJVHSKSERW-NSHDSACASA-N 1 0 337.221 2.571 20 10 EFCDRO Cc1ccoc1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895017313 723051119 /nfs/dbraw/zinc/05/11/19/723051119.db2.gz CODFEBNGJGRIIO-QGZVFWFLSA-N 1 0 344.459 2.756 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3ccns3)C2)cc1C ZINC000983786881 723056130 /nfs/dbraw/zinc/05/61/30/723056130.db2.gz BKJKRFAYRZXRDB-SHTZXODSSA-N 1 0 345.468 2.758 20 10 EFCDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000896270625 723229435 /nfs/dbraw/zinc/22/94/35/723229435.db2.gz SCLDTCXHYNYSBD-IRXDYDNUSA-N 1 0 346.471 2.773 20 10 EFCDRO COc1cc(C)cc(C[NH2+]CCc2cn3c(cccc3C)n2)c1O ZINC000895088247 723252862 /nfs/dbraw/zinc/25/28/62/723252862.db2.gz MJNHOPXMNJXOAC-UHFFFAOYSA-N 1 0 325.412 2.998 20 10 EFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000237217813 723293958 /nfs/dbraw/zinc/29/39/58/723293958.db2.gz MLUIHVDUYARPHQ-KRWDZBQOSA-N 1 0 347.528 2.730 20 10 EFCDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)ccc1OCCO ZINC000067449523 723331390 /nfs/dbraw/zinc/33/13/90/723331390.db2.gz XPEJUXCVQIRTDK-HNNXBMFYSA-N 1 0 344.455 2.983 20 10 EFCDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)ccc1OCCO ZINC000067449525 723331466 /nfs/dbraw/zinc/33/14/66/723331466.db2.gz XPEJUXCVQIRTDK-OAHLLOKOSA-N 1 0 344.455 2.983 20 10 EFCDRO COc1c(O)c(C[NH2+][C@@H](c2ccccn2)C2CC2)ccc1[N+](=O)[O-] ZINC000896612147 723401420 /nfs/dbraw/zinc/40/14/20/723401420.db2.gz HVZOYJNNUJPAFP-OAHLLOKOSA-N 1 0 329.356 2.945 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC34CC4)C2)cc1C ZINC000984857973 723526101 /nfs/dbraw/zinc/52/61/01/723526101.db2.gz XFNWQRDLIMNZPD-ULQDDVLXSA-N 1 0 328.456 2.788 20 10 EFCDRO COc1ccc(C[NH2+]CCc2nc3c(s2)CCC3)c(O)c1OC ZINC000896842105 723541277 /nfs/dbraw/zinc/54/12/77/723541277.db2.gz PGEBQFBETJJMTE-UHFFFAOYSA-N 1 0 334.441 2.687 20 10 EFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCC[C@@H]3C)CC2)cc1 ZINC000237273733 723570608 /nfs/dbraw/zinc/57/06/08/723570608.db2.gz FTCQWIXJJKNEEO-FXAWDEMLSA-N 1 0 331.504 2.986 20 10 EFCDRO CCN(CC)c1ccc(CNC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000918195243 728852534 /nfs/dbraw/zinc/85/25/34/728852534.db2.gz WXDCCMUHZMEWSW-UHFFFAOYSA-N 1 0 332.492 2.818 20 10 EFCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000896958022 723913875 /nfs/dbraw/zinc/91/38/75/723913875.db2.gz FXGDEPCEZFVYBG-NSHDSACASA-N 1 0 328.206 2.540 20 10 EFCDRO CC(C)(C)CC[NH+]1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001031464480 728856221 /nfs/dbraw/zinc/85/62/21/728856221.db2.gz TVZFPDBVTJOOAN-UHFFFAOYSA-N 1 0 331.420 2.699 20 10 EFCDRO NC(=O)N=Nc1ccc(C(=O)NC2C[NH+](CCC3CCCC3)C2)cc1 ZINC001031463946 728858957 /nfs/dbraw/zinc/85/89/57/728858957.db2.gz BYOVBTSENYXJNL-UHFFFAOYSA-N 1 0 343.431 2.843 20 10 EFCDRO CC1=NO[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000895310065 724018060 /nfs/dbraw/zinc/01/80/60/724018060.db2.gz GAFDRLGBFGTKBZ-OAHLLOKOSA-N 1 0 332.404 2.840 20 10 EFCDRO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000895324622 724033751 /nfs/dbraw/zinc/03/37/51/724033751.db2.gz QTJVVMRQNDDXCK-GOSISDBHSA-N 1 0 340.423 2.585 20 10 EFCDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)c1O ZINC000895351804 724062941 /nfs/dbraw/zinc/06/29/41/724062941.db2.gz XILSAKUENKIKIV-CQSZACIVSA-N 1 0 341.329 2.950 20 10 EFCDRO CCOCCOCC[NH2+]Cc1cc(Br)cc(C)c1O ZINC000897206019 724078346 /nfs/dbraw/zinc/07/83/46/724078346.db2.gz ZWKQJDHIYJDCRO-UHFFFAOYSA-N 1 0 332.238 2.606 20 10 EFCDRO CN(C)c1cc(F)c(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)cc1F ZINC000897257844 724137311 /nfs/dbraw/zinc/13/73/11/724137311.db2.gz NWUGIUBZWQQKBL-CQSZACIVSA-N 1 0 340.414 2.537 20 10 EFCDRO COc1ccc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)c(O)c1OC ZINC000895470679 724150689 /nfs/dbraw/zinc/15/06/89/724150689.db2.gz XZRVKGKIIXJDFM-QGZVFWFLSA-N 1 0 342.439 2.774 20 10 EFCDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000895476641 724153402 /nfs/dbraw/zinc/15/34/02/724153402.db2.gz KYPWCPPNERNOCS-FQEVSTJZSA-N 1 0 345.439 2.801 20 10 EFCDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000895476642 724153412 /nfs/dbraw/zinc/15/34/12/724153412.db2.gz KYPWCPPNERNOCS-HXUWFJFHSA-N 1 0 345.439 2.801 20 10 EFCDRO COc1cccc([C@@H](C[NH2+]Cc2ccc(OC)c(OC)c2O)OC)c1 ZINC000895546313 724190436 /nfs/dbraw/zinc/19/04/36/724190436.db2.gz UYOTZTLQZFKNFL-QGZVFWFLSA-N 1 0 347.411 2.895 20 10 EFCDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1c(O)cccc1Cl)C(F)(F)F ZINC000895707704 724266964 /nfs/dbraw/zinc/26/69/64/724266964.db2.gz MLQDLOWEUNTADU-KTRBRXNASA-N 1 0 339.741 2.979 20 10 EFCDRO CCO/C=C\[C@](O)(C[NH2+]Cc1cccc(CC)c1O)C(F)(F)F ZINC000895716498 724276330 /nfs/dbraw/zinc/27/63/30/724276330.db2.gz IRZPOSXYEKOSKP-CDNLZTBQSA-N 1 0 333.350 2.888 20 10 EFCDRO CCO/C=C\[C@](O)(C[NH2+]Cc1cc(OCC)ccc1O)C(F)(F)F ZINC000895708717 724279069 /nfs/dbraw/zinc/27/90/69/724279069.db2.gz VQYRSEKOMLHGMJ-LZNQSLFOSA-N 1 0 349.349 2.724 20 10 EFCDRO CSC1(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CCC1 ZINC000895813218 724328628 /nfs/dbraw/zinc/32/86/28/724328628.db2.gz HEWPPNPDVRKBCR-UHFFFAOYSA-N 1 0 347.528 2.764 20 10 EFCDRO CCOc1cccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000121309630 724331166 /nfs/dbraw/zinc/33/11/66/724331166.db2.gz KRWHGHQHIUOGBA-UHFFFAOYSA-N 1 0 341.455 2.949 20 10 EFCDRO Cc1cc(C(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccc(C)cc1 ZINC000728914696 724885429 /nfs/dbraw/zinc/88/54/29/724885429.db2.gz UIWFHOMWHJXXBR-HDICACEKSA-N 1 0 337.467 2.736 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CCOCC3)[C@H]2C)cc1C ZINC000985879213 724941695 /nfs/dbraw/zinc/94/16/95/724941695.db2.gz QVXAIACRNSOWNN-YJBOKZPZSA-N 1 0 346.471 2.509 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccoc3)[C@H]2C)cc1C ZINC000985969065 724991660 /nfs/dbraw/zinc/99/16/60/724991660.db2.gz HLCSNIJYHOXFJQ-WMLDXEAASA-N 1 0 328.412 2.989 20 10 EFCDRO COc1cccc(O)c1C[N@H+](C)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC000897406032 725012742 /nfs/dbraw/zinc/01/27/42/725012742.db2.gz RZLKMMVURWRWOF-CYBMUJFWSA-N 1 0 336.432 2.842 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cncs3)[C@H]2C)cc1C ZINC000986040498 725022800 /nfs/dbraw/zinc/02/28/00/725022800.db2.gz KPGQGDLPNIPFFE-DZGCQCFKSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cscn3)[C@@H]2C)cc1C ZINC000986057021 725027215 /nfs/dbraw/zinc/02/72/15/725027215.db2.gz TWSTUQGDFMUWAA-UKRRQHHQSA-N 1 0 345.468 2.853 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(=O)C(C)(C)C)[C@H]2C)cc1C ZINC000986065995 725029818 /nfs/dbraw/zinc/02/98/18/725029818.db2.gz MGSFDMQSKUJTRT-HOCLYGCPSA-N 1 0 346.471 2.698 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(=O)C(C)(C)C)[C@@H]2C)cc1C ZINC000986065996 725029845 /nfs/dbraw/zinc/02/98/45/725029845.db2.gz MGSFDMQSKUJTRT-ZBFHGGJFSA-N 1 0 346.471 2.698 20 10 EFCDRO CC(C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)=C1CCCC1 ZINC000918860799 728936318 /nfs/dbraw/zinc/93/63/18/728936318.db2.gz DQHXNBIGCGMGTC-UHFFFAOYSA-N 1 0 327.472 2.945 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCONC(=O)OC(C)(C)C)c1 ZINC000897425817 725553541 /nfs/dbraw/zinc/55/35/41/725553541.db2.gz FTGSMGQVNSAWJY-GFCCVEGCSA-N 1 0 340.420 2.898 20 10 EFCDRO COc1ccc(N2CCC([NH2+][C@@H]3c4ccccc4C[C@@H]3O)CC2)cc1 ZINC000151840479 725845917 /nfs/dbraw/zinc/84/59/17/725845917.db2.gz QKTUMDCCCARUDV-LEWJYISDSA-N 1 0 338.451 2.912 20 10 EFCDRO CCC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(N=NC(N)=O)cc3)CCC[C@@H]12 ZINC000992546538 725956330 /nfs/dbraw/zinc/95/63/30/725956330.db2.gz KBSFKIZFFGNNGE-QAPCUYQASA-N 1 0 343.431 2.986 20 10 EFCDRO COc1cccc(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)c1O ZINC000152234650 725978351 /nfs/dbraw/zinc/97/83/51/725978351.db2.gz FWKQFPNXNIQTEK-UHFFFAOYSA-N 1 0 342.317 2.983 20 10 EFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3cccn3C)C2)cc1C ZINC000988155106 726088136 /nfs/dbraw/zinc/08/81/36/726088136.db2.gz IUAFBQRPTCIMRA-NVXWUHKLSA-N 1 0 341.455 2.735 20 10 EFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3ncoc3C)C2)cc1C ZINC000988299657 726163149 /nfs/dbraw/zinc/16/31/49/726163149.db2.gz YPPRNKKDCJNHPY-CJNGLKHVSA-N 1 0 343.427 2.693 20 10 EFCDRO CC(C)NC(=O)C[N@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000054440889 726172369 /nfs/dbraw/zinc/17/23/69/726172369.db2.gz PHZZVYVUEMVYBY-UHFFFAOYSA-N 1 0 330.428 2.974 20 10 EFCDRO COC(=O)c1cnc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000897521159 726396933 /nfs/dbraw/zinc/39/69/33/726396933.db2.gz DMFQQNAMXCXPSI-AWEZNQCLSA-N 1 0 348.472 2.711 20 10 EFCDRO Cc1cc(CO)cc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000897522777 726402255 /nfs/dbraw/zinc/40/22/55/726402255.db2.gz OPSQOQJPGCRWOD-SFHVURJKSA-N 1 0 328.460 2.663 20 10 EFCDRO CCCCNC(=O)NC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000731846378 726942070 /nfs/dbraw/zinc/94/20/70/726942070.db2.gz XGGCVVXXLIEPJX-UHFFFAOYSA-N 1 0 347.459 2.763 20 10 EFCDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1=CC(=O)CS1 ZINC000732262964 727011414 /nfs/dbraw/zinc/01/14/14/727011414.db2.gz JINYNUAPGYWDQD-UHFFFAOYSA-N 1 0 331.441 2.766 20 10 EFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000324422229 727059463 /nfs/dbraw/zinc/05/94/63/727059463.db2.gz NPRRPLIHESDUFU-MRXNPFEDSA-N 1 0 343.393 2.643 20 10 EFCDRO COC(=O)c1ccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)o1 ZINC000732411218 727072621 /nfs/dbraw/zinc/07/26/21/727072621.db2.gz VRHHMUKTAFUOTJ-UHFFFAOYSA-N 1 0 332.400 2.643 20 10 EFCDRO C[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)[N@@H+]1CCCC[C@H]1C ZINC000915698173 727119549 /nfs/dbraw/zinc/11/95/49/727119549.db2.gz BSQDLWZUIHHBKY-HZPDHXFCSA-N 1 0 332.492 2.815 20 10 EFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCCCO3)CC2)cc1C ZINC000991111141 727120830 /nfs/dbraw/zinc/12/08/30/727120830.db2.gz QYGPRRIDRGGNSL-LJQANCHMSA-N 1 0 346.471 2.653 20 10 EFCDRO CC[C@@H]([NH2+]Cc1ccc(OCC(N)=O)c(OC)c1)c1ccccc1O ZINC000155404782 727141129 /nfs/dbraw/zinc/14/11/29/727141129.db2.gz AURFZGIODLXRQI-OAHLLOKOSA-N 1 0 344.411 2.506 20 10 EFCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1C ZINC000732797033 727232024 /nfs/dbraw/zinc/23/20/24/727232024.db2.gz FNJOBEVBNXCWFK-CYBMUJFWSA-N 1 0 330.350 2.604 20 10 EFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccnc1 ZINC000732917481 727307909 /nfs/dbraw/zinc/30/79/09/727307909.db2.gz VCLODLUIAYSGST-CRAIPNDOSA-N 1 0 338.455 2.634 20 10 EFCDRO O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000911263597 727521642 /nfs/dbraw/zinc/52/16/42/727521642.db2.gz ZUSHNGAEJSQWBT-HOTGVXAUSA-N 1 0 325.412 2.574 20 10 EFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C(C)(C)Nc2ccccc2)cc1 ZINC000911667405 727576504 /nfs/dbraw/zinc/57/65/04/727576504.db2.gz QLKMNOXSBWTRJY-SFHVURJKSA-N 1 0 340.471 2.759 20 10 EFCDRO CCSc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000911666572 727576529 /nfs/dbraw/zinc/57/65/29/727576529.db2.gz IWBDLBBFNFFQKL-MRXNPFEDSA-N 1 0 344.484 2.689 20 10 EFCDRO CC(=O)c1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1C ZINC000911666016 727576622 /nfs/dbraw/zinc/57/66/22/727576622.db2.gz GOTWPTLOHALVKC-LJQANCHMSA-N 1 0 339.439 2.693 20 10 EFCDRO Cc1ccc(C(F)(F)C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000911665860 727576690 /nfs/dbraw/zinc/57/66/90/727576690.db2.gz FOTBSTVIVMZYLA-KRWDZBQOSA-N 1 0 347.409 2.969 20 10 EFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000916574279 727697857 /nfs/dbraw/zinc/69/78/57/727697857.db2.gz YFSXPDGTRCDEFW-SJLPKXTDSA-N 1 0 330.476 2.521 20 10 EFCDRO C[C@H]1CCCN(C(=O)C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000917073915 727763326 /nfs/dbraw/zinc/76/33/26/727763326.db2.gz HRKXDVCPVBLQMI-INIZCTEOSA-N 1 0 329.488 2.976 20 10 EFCDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCCSc2nccs2)C1 ZINC000154305789 727782028 /nfs/dbraw/zinc/78/20/28/727782028.db2.gz AUXNFLFPFQTQGB-CHWSQXEVSA-N 1 0 342.534 2.797 20 10 EFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C[C@H]3CC=CCC3)cc2)C1 ZINC000917394276 727800329 /nfs/dbraw/zinc/80/03/29/727800329.db2.gz GUHFIBDDSAYQQF-FUHWJXTLSA-N 1 0 327.472 2.834 20 10 EFCDRO Cc1cc(NC(=O)C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)on1 ZINC000917417997 727803077 /nfs/dbraw/zinc/80/30/77/727803077.db2.gz RYAOBECBEKENNR-UHFFFAOYSA-N 1 0 330.432 2.898 20 10 EFCDRO CC1CCN(c2ccc(C[NH2+][C@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000182909254 727864995 /nfs/dbraw/zinc/86/49/95/727864995.db2.gz JVRZKEHZPJTTLK-KRWDZBQOSA-N 1 0 336.501 2.590 20 10 EFCDRO Cc1cc(CN(C)[C@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000054866181 727885926 /nfs/dbraw/zinc/88/59/26/727885926.db2.gz YAXBKKSBNGUPJU-AWEZNQCLSA-N 1 0 325.474 2.617 20 10 EFCDRO COc1cc(C)cc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c1O ZINC000164107996 727911850 /nfs/dbraw/zinc/91/18/50/727911850.db2.gz LVFRCHAXLZFNKB-UHFFFAOYSA-N 1 0 346.471 2.934 20 10 EFCDRO CCc1nsc(N2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)n1 ZINC000164426749 727945503 /nfs/dbraw/zinc/94/55/03/727945503.db2.gz DETPWVWRNRDMEA-UHFFFAOYSA-N 1 0 332.473 2.745 20 10 EFCDRO CC[NH+](CC)CCCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000057650266 728097714 /nfs/dbraw/zinc/09/77/14/728097714.db2.gz KEQBNDWNPPSETL-UHFFFAOYSA-N 1 0 332.492 2.600 20 10 EFCDRO CC(C)CN(CC[NH+](C)C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000057647495 728100102 /nfs/dbraw/zinc/10/01/02/728100102.db2.gz WUZHVOAIDQMEMA-UHFFFAOYSA-N 1 0 338.471 2.621 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2F)c1 ZINC000182349593 728111053 /nfs/dbraw/zinc/11/10/53/728111053.db2.gz NCUUSXILODPHJA-JTQLQIEISA-N 1 0 336.338 2.968 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000182350141 728111152 /nfs/dbraw/zinc/11/11/52/728111152.db2.gz PPMXWAYIDWODNZ-NSHDSACASA-N 1 0 345.355 2.598 20 10 EFCDRO Cc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1O ZINC000183486264 728123068 /nfs/dbraw/zinc/12/30/68/728123068.db2.gz IXYHRLTYHLFMOD-UHFFFAOYSA-N 1 0 327.384 2.931 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)c1 ZINC000182387533 728131219 /nfs/dbraw/zinc/13/12/19/728131219.db2.gz BBRANPLLSACTRR-NSHDSACASA-N 1 0 343.383 2.772 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2F)c1 ZINC000182426636 728148250 /nfs/dbraw/zinc/14/82/50/728148250.db2.gz UPQJMVWOAWHLFD-CYBMUJFWSA-N 1 0 346.402 2.849 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COCc2cccs2)c1 ZINC000182429010 728148670 /nfs/dbraw/zinc/14/86/70/728148670.db2.gz XCSDWNFLEJOYJX-OLZOCXBDSA-N 1 0 337.441 2.691 20 10 EFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N([C@H](C)C2CC2)C2CC2)c1 ZINC000182414060 728152174 /nfs/dbraw/zinc/15/21/74/728152174.db2.gz DFMXFRVZAMXEBC-QWHCGFSZSA-N 1 0 332.444 2.841 20 10 EFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COCc2ccccc2F)c1 ZINC000182444858 728162995 /nfs/dbraw/zinc/16/29/95/728162995.db2.gz WBQJMRAOMZXPIA-HIFRSBDPSA-N 1 0 349.402 2.768 20 10 EFCDRO C[C@H]([NH2+][C@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccccc1O ZINC000183612371 728203637 /nfs/dbraw/zinc/20/36/37/728203637.db2.gz LKDUTTSXBARAJD-HOTGVXAUSA-N 1 0 340.423 2.723 20 10 EFCDRO COC[C@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000172920700 728610379 /nfs/dbraw/zinc/61/03/79/728610379.db2.gz LFFOJIQWVQJICK-CYBMUJFWSA-N 1 0 331.412 2.864 20 10 EFCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000172935099 728611068 /nfs/dbraw/zinc/61/10/68/728611068.db2.gz WDRYMIQSFSEPJB-HNNXBMFYSA-N 1 0 348.487 2.549 20 10 EFCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000154991728 729035457 /nfs/dbraw/zinc/03/54/57/729035457.db2.gz FSXRVKUFGBPEIL-AWEZNQCLSA-N 1 0 344.459 2.899 20 10 EFCDRO CC(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC000939831432 729146277 /nfs/dbraw/zinc/14/62/77/729146277.db2.gz NHSYNSCGYJIOEZ-IUODEOHRSA-N 1 0 331.420 2.555 20 10 EFCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)c3ccon3)C2)cc1C ZINC000994789779 729527687 /nfs/dbraw/zinc/52/76/87/729527687.db2.gz HQYNVPMQMVORSQ-HZPDHXFCSA-N 1 0 343.427 2.680 20 10 EFCDRO C[C@](CO)([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000237635644 729593498 /nfs/dbraw/zinc/59/34/98/729593498.db2.gz GDJSLKBFIJPKTO-HXUWFJFHSA-N 1 0 344.430 2.660 20 10 EFCDRO C[N@H+](CCN1CCN(c2ccccc2)CC1)Cc1ccccc1O ZINC000179578177 729593681 /nfs/dbraw/zinc/59/36/81/729593681.db2.gz GLOFBGURZFMGQA-UHFFFAOYSA-N 1 0 325.456 2.646 20 10 EFCDRO C[C@H](CN1CCCCC1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000237662188 729600239 /nfs/dbraw/zinc/60/02/39/729600239.db2.gz IYPDAXVNNHOJAP-MRXNPFEDSA-N 1 0 335.467 2.626 20 10 EFCDRO COc1ccc(O)c(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000179885051 729646970 /nfs/dbraw/zinc/64/69/70/729646970.db2.gz CXLQYDPBVTVJLE-CYBMUJFWSA-N 1 0 336.432 2.842 20 10 EFCDRO COc1ccc(O)c(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000179885064 729647052 /nfs/dbraw/zinc/64/70/52/729647052.db2.gz CXLQYDPBVTVJLE-ZDUSSCGKSA-N 1 0 336.432 2.842 20 10 EFCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000237898737 729658291 /nfs/dbraw/zinc/65/82/91/729658291.db2.gz BLUAOYANJPBLGB-FQEVSTJZSA-N 1 0 344.430 2.794 20 10 EFCDRO CC1CCC([NH+]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)CC1 ZINC000181090463 729779776 /nfs/dbraw/zinc/77/97/76/729779776.db2.gz WQQUYVXBRVVDNV-WEVVVXLNSA-N 1 0 344.455 2.834 20 10 EFCDRO